from __future__ import division import sys rdl_database = { "ARG" : { "default" : { ( "CG", "CD", "NE" ) : [ 112.0, 2.2], ( "N", "CA", "C" ) : [ 111.2, 2.8], ( "NH1", "CZ", "NH2" ) : [ 119.7, 1.8], ( "CB", "CA", "C" ) : [ 110.1, 1.9], ( "N", "CA", "CB" ) : [ 110.5, 1.7], ( "NE", "CZ", "NH2" ) : [ 120.0, 1.9], ( "NE", "CZ", "NH1" ) : [ 120.0, 1.9], ( "CA", "CB", "CG" ) : [ 114.1, 2.0], ( "CB", "CG", "CD" ) : [ 111.3, 2.3], ( "CA", "C", "O" ) : [ 120.8, 1.7], ( "CD", "NE", "CZ" ) : [ 124.2, 1.5], }, "mmm-85" : { # population : 977 ( "CG", "CD", "NE" ) : [ 112.4, 2.2], ( "N", "CA", "C" ) : [ 111.3, 2.7], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 109.7, 1.5], ( "N", "CA", "CB" ) : [ 110.7, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.8, 1.0], ( "CA", "CB", "CG" ) : [ 114.6, 1.5], ( "CB", "CG", "CD" ) : [ 112.8, 1.6], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 125.0, 1.1], }, "mmm180" : { # population : 944 ( "CG", "CD", "NE" ) : [ 111.8, 1.9], ( "N", "CA", "C" ) : [ 111.4, 2.4], ( "NH1", "CZ", "NH2" ) : [ 119.6, 1.0], ( "CB", "CA", "C" ) : [ 109.8, 1.6], ( "N", "CA", "CB" ) : [ 110.7, 1.2], ( "NE", "CZ", "NH2" ) : [ 119.8, 1.1], ( "NE", "CZ", "NH1" ) : [ 120.6, 1.2], ( "CA", "CB", "CG" ) : [ 114.5, 1.6], ( "CB", "CG", "CD" ) : [ 112.5, 1.7], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.6, 1.3], }, "mmp_?" : { # population : 271 ( "CG", "CD", "NE" ) : [ 112.7, 2.2], ( "N", "CA", "C" ) : [ 111.2, 1.9], ( "NH1", "CZ", "NH2" ) : [ 119.6, 1.0], ( "CB", "CA", "C" ) : [ 109.6, 1.5], ( "N", "CA", "CB" ) : [ 111.0, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.9, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.5, 1.1], ( "CA", "CB", "CG" ) : [ 115.0, 1.4], ( "CB", "CG", "CD" ) : [ 113.2, 1.7], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.9, 1.2], }, "mmt-85" : { # population : 1353 ( "CG", "CD", "NE" ) : [ 111.8, 2.2], ( "N", "CA", "C" ) : [ 110.0, 2.7], ( "NH1", "CZ", "NH2" ) : [ 119.4, 1.0], ( "CB", "CA", "C" ) : [ 109.6, 1.6], ( "N", "CA", "CB" ) : [ 110.9, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.6, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.9, 1.0], ( "CA", "CB", "CG" ) : [ 114.5, 1.4], ( "CB", "CG", "CD" ) : [ 112.0, 1.7], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.9, 1.0], }, "mmt180" : { # population : 1218 ( "CG", "CD", "NE" ) : [ 111.0, 1.9], ( "N", "CA", "C" ) : [ 111.2, 2.6], ( "NH1", "CZ", "NH2" ) : [ 119.8, 1.0], ( "CB", "CA", "C" ) : [ 109.4, 1.6], ( "N", "CA", "CB" ) : [ 110.7, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.6, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.5, 1.0], ( "CA", "CB", "CG" ) : [ 114.5, 1.4], ( "CB", "CG", "CD" ) : [ 112.0, 1.7], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.4, 1.2], }, "mmt85" : { # population : 535 ( "CG", "CD", "NE" ) : [ 111.5, 2.3], ( "N", "CA", "C" ) : [ 111.3, 2.7], ( "NH1", "CZ", "NH2" ) : [ 119.6, 1.0], ( "CB", "CA", "C" ) : [ 109.6, 1.7], ( "N", "CA", "CB" ) : [ 110.7, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.5, 1.1], ( "NE", "CZ", "NH1" ) : [ 120.9, 1.2], ( "CA", "CB", "CG" ) : [ 114.7, 1.4], ( "CB", "CG", "CD" ) : [ 112.2, 1.6], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 125.0, 1.2], }, "mpp_?" : { # population : 98 ( "CG", "CD", "NE" ) : [ 112.0, 1.7], ( "N", "CA", "C" ) : [ 109.7, 2.9], ( "NH1", "CZ", "NH2" ) : [ 119.6, 1.0], ( "CB", "CA", "C" ) : [ 109.5, 1.7], ( "N", "CA", "CB" ) : [ 111.4, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.6, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.8, 1.1], ( "CA", "CB", "CG" ) : [ 115.0, 1.6], ( "CB", "CG", "CD" ) : [ 113.0, 1.7], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.7, 1.1], }, "mpt_?" : { # population : 353 ( "CG", "CD", "NE" ) : [ 110.9, 2.2], ( "N", "CA", "C" ) : [ 110.1, 2.7], ( "NH1", "CZ", "NH2" ) : [ 119.7, 1.0], ( "CB", "CA", "C" ) : [ 109.6, 1.6], ( "N", "CA", "CB" ) : [ 111.1, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.5, 1.0], ( "CA", "CB", "CG" ) : [ 114.8, 1.4], ( "CB", "CG", "CD" ) : [ 112.9, 1.9], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.6, 1.3], }, "mtm-85" : { # population : 2739 ( "CG", "CD", "NE" ) : [ 112.7, 1.9], ( "N", "CA", "C" ) : [ 111.3, 2.0], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.0, 1.5], ( "N", "CA", "CB" ) : [ 111.1, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.8, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.8, 1.0], ( "CA", "CB", "CG" ) : [ 113.5, 1.5], ( "CB", "CG", "CD" ) : [ 112.0, 1.5], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.9, 1.1], }, "mtm105" : { # population : 575 ( "CG", "CD", "NE" ) : [ 112.2, 1.9], ( "N", "CA", "C" ) : [ 111.7, 2.3], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.1, 1.7], ( "N", "CA", "CB" ) : [ 110.7, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.5, 1.1], ( "NE", "CZ", "NH1" ) : [ 121.0, 1.2], ( "CA", "CB", "CG" ) : [ 113.1, 1.8], ( "CB", "CG", "CD" ) : [ 112.6, 1.7], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 125.3, 1.6], }, "mtm180" : { # population : 2547 ( "CG", "CD", "NE" ) : [ 111.4, 1.6], ( "N", "CA", "C" ) : [ 111.3, 2.6], ( "NH1", "CZ", "NH2" ) : [ 119.8, 1.0], ( "CB", "CA", "C" ) : [ 109.9, 1.6], ( "N", "CA", "CB" ) : [ 110.5, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.5, 1.0], ( "CA", "CB", "CG" ) : [ 113.3, 1.6], ( "CB", "CG", "CD" ) : [ 111.6, 1.7], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.5, 1.2], }, "mtp-105" : { # population : 345 ( "CG", "CD", "NE" ) : [ 111.7, 1.9], ( "N", "CA", "C" ) : [ 111.1, 2.7], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.2, 1.7], ( "N", "CA", "CB" ) : [ 110.7, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.5, 1.0], ( "NE", "CZ", "NH1" ) : [ 121.0, 1.1], ( "CA", "CB", "CG" ) : [ 113.3, 1.6], ( "CB", "CG", "CD" ) : [ 112.5, 1.6], ( "CA", "C", "O" ) : [ 120.3, 1.0], ( "CD", "NE", "CZ" ) : [ 125.2, 1.2], }, "mtp180" : { # population : 2600 ( "CG", "CD", "NE" ) : [ 111.6, 1.6], ( "N", "CA", "C" ) : [ 111.4, 2.4], ( "NH1", "CZ", "NH2" ) : [ 119.8, 1.0], ( "CB", "CA", "C" ) : [ 110.0, 1.7], ( "N", "CA", "CB" ) : [ 110.5, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.8, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.5, 1.0], ( "CA", "CB", "CG" ) : [ 113.2, 1.8], ( "CB", "CG", "CD" ) : [ 111.7, 1.8], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.4, 1.3], }, "mtp85" : { # population : 1766 ( "CG", "CD", "NE" ) : [ 112.3, 1.9], ( "N", "CA", "C" ) : [ 111.1, 2.4], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.2, 1.7], ( "N", "CA", "CB" ) : [ 110.6, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.8, 1.0], ( "CA", "CB", "CG" ) : [ 113.3, 1.8], ( "CB", "CG", "CD" ) : [ 112.1, 1.7], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.9, 1.1], }, "mtt-85" : { # population : 2701 ( "CG", "CD", "NE" ) : [ 111.4, 2.4], ( "N", "CA", "C" ) : [ 111.4, 2.3], ( "NH1", "CZ", "NH2" ) : [ 119.6, 1.0], ( "CB", "CA", "C" ) : [ 109.8, 1.7], ( "N", "CA", "CB" ) : [ 110.6, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.6, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.8, 1.0], ( "CA", "CB", "CG" ) : [ 113.5, 1.7], ( "CB", "CG", "CD" ) : [ 111.3, 2.0], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.8, 1.0], }, "mtt180" : { # population : 4699 ( "CG", "CD", "NE" ) : [ 110.6, 1.9], ( "N", "CA", "C" ) : [ 111.6, 2.3], ( "NH1", "CZ", "NH2" ) : [ 119.9, 1.0], ( "CB", "CA", "C" ) : [ 110.0, 1.7], ( "N", "CA", "CB" ) : [ 110.6, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.6, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.4, 1.0], ( "CA", "CB", "CG" ) : [ 112.9, 1.7], ( "CB", "CG", "CD" ) : [ 111.5, 2.0], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.4, 1.1], }, "mtt85" : { # population : 2257 ( "CG", "CD", "NE" ) : [ 111.1, 2.5], ( "N", "CA", "C" ) : [ 111.5, 2.4], ( "NH1", "CZ", "NH2" ) : [ 119.6, 1.0], ( "CB", "CA", "C" ) : [ 109.9, 1.7], ( "N", "CA", "CB" ) : [ 110.6, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.6, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.8, 1.1], ( "CA", "CB", "CG" ) : [ 113.3, 1.7], ( "CB", "CG", "CD" ) : [ 111.5, 2.0], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.8, 1.1], }, "pmm_?" : { # population : 12 ( "CG", "CD", "NE" ) : [ 112.7, 1.5], ( "N", "CA", "C" ) : [ 109.6, 2.6], ( "NH1", "CZ", "NH2" ) : [ 119.2, 1.0], ( "CB", "CA", "C" ) : [ 110.9, 1.3], ( "N", "CA", "CB" ) : [ 112.0, 1.0], ( "NE", "CZ", "NH2" ) : [ 120.1, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.7, 1.0], ( "CA", "CB", "CG" ) : [ 116.4, 1.0], ( "CB", "CG", "CD" ) : [ 113.8, 1.7], ( "CA", "C", "O" ) : [ 120.8, 1.0], ( "CD", "NE", "CZ" ) : [ 125.0, 1.1], }, "pmt_?" : { # population : 48 ( "CG", "CD", "NE" ) : [ 112.0, 1.6], ( "N", "CA", "C" ) : [ 110.4, 2.2], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.6, 1.2], ( "N", "CA", "CB" ) : [ 111.7, 1.2], ( "NE", "CZ", "NH2" ) : [ 119.8, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.7, 1.0], ( "CA", "CB", "CG" ) : [ 116.1, 1.2], ( "CB", "CG", "CD" ) : [ 113.0, 1.6], ( "CA", "C", "O" ) : [ 120.9, 1.0], ( "CD", "NE", "CZ" ) : [ 124.7, 1.0], }, "ppp_?" : { # population : 5 ( "CG", "CD", "NE" ) : [ 112.3, 1.1], ( "N", "CA", "C" ) : [ 110.5, 1.1], ( "NH1", "CZ", "NH2" ) : [ 119.6, 1.0], ( "CB", "CA", "C" ) : [ 110.4, 1.0], ( "N", "CA", "CB" ) : [ 111.6, 1.0], ( "NE", "CZ", "NH2" ) : [ 119.4, 1.0], ( "NE", "CZ", "NH1" ) : [ 121.0, 1.0], ( "CA", "CB", "CG" ) : [ 116.1, 1.0], ( "CB", "CG", "CD" ) : [ 114.0, 1.0], ( "CA", "C", "O" ) : [ 120.6, 1.0], ( "CD", "NE", "CZ" ) : [ 125.0, 1.0], }, "ppt_?" : { # population : 58 ( "CG", "CD", "NE" ) : [ 111.7, 1.8], ( "N", "CA", "C" ) : [ 110.7, 2.3], ( "NH1", "CZ", "NH2" ) : [ 119.7, 1.0], ( "CB", "CA", "C" ) : [ 111.8, 1.4], ( "N", "CA", "CB" ) : [ 111.2, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.6, 1.0], ( "CA", "CB", "CG" ) : [ 116.1, 1.3], ( "CB", "CG", "CD" ) : [ 112.2, 1.7], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.4, 1.4], }, "ptm-85" : { # population : 207 ( "CG", "CD", "NE" ) : [ 112.3, 2.3], ( "N", "CA", "C" ) : [ 111.7, 2.6], ( "NH1", "CZ", "NH2" ) : [ 119.4, 1.0], ( "CB", "CA", "C" ) : [ 110.3, 1.4], ( "N", "CA", "CB" ) : [ 110.9, 1.3], ( "NE", "CZ", "NH2" ) : [ 119.9, 1.5], ( "NE", "CZ", "NH1" ) : [ 120.7, 1.2], ( "CA", "CB", "CG" ) : [ 114.6, 1.3], ( "CB", "CG", "CD" ) : [ 111.9, 1.7], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 125.0, 1.5], }, "ptm180" : { # population : 495 ( "CG", "CD", "NE" ) : [ 111.6, 2.1], ( "N", "CA", "C" ) : [ 110.9, 2.6], ( "NH1", "CZ", "NH2" ) : [ 119.7, 1.0], ( "CB", "CA", "C" ) : [ 110.4, 1.6], ( "N", "CA", "CB" ) : [ 111.0, 1.3], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.1], ( "NE", "CZ", "NH1" ) : [ 120.6, 1.3], ( "CA", "CB", "CG" ) : [ 114.6, 1.7], ( "CB", "CG", "CD" ) : [ 111.7, 1.8], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.7, 1.4], }, "ptp180" : { # population : 452 ( "CG", "CD", "NE" ) : [ 111.5, 1.7], ( "N", "CA", "C" ) : [ 111.3, 2.5], ( "NH1", "CZ", "NH2" ) : [ 119.7, 1.0], ( "CB", "CA", "C" ) : [ 110.4, 1.5], ( "N", "CA", "CB" ) : [ 110.8, 1.2], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.6, 1.1], ( "CA", "CB", "CG" ) : [ 114.6, 1.5], ( "CB", "CG", "CD" ) : [ 111.4, 1.7], ( "CA", "C", "O" ) : [ 120.6, 1.0], ( "CD", "NE", "CZ" ) : [ 124.8, 1.2], }, "ptp85" : { # population : 210 ( "CG", "CD", "NE" ) : [ 112.2, 2.1], ( "N", "CA", "C" ) : [ 111.0, 2.8], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.5, 1.4], ( "N", "CA", "CB" ) : [ 111.1, 1.2], ( "NE", "CZ", "NH2" ) : [ 119.8, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.7, 1.0], ( "CA", "CB", "CG" ) : [ 114.9, 1.5], ( "CB", "CG", "CD" ) : [ 111.8, 1.5], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "CD", "NE", "CZ" ) : [ 124.9, 1.2], }, "ptt-85" : { # population : 678 ( "CG", "CD", "NE" ) : [ 111.7, 2.7], ( "N", "CA", "C" ) : [ 111.7, 2.5], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.4, 1.5], ( "N", "CA", "CB" ) : [ 110.9, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.1], ( "NE", "CZ", "NH1" ) : [ 120.7, 1.0], ( "CA", "CB", "CG" ) : [ 114.9, 1.5], ( "CB", "CG", "CD" ) : [ 111.0, 2.0], ( "CA", "C", "O" ) : [ 120.5, 1.0], ( "CD", "NE", "CZ" ) : [ 124.8, 1.1], }, "ptt180" : { # population : 812 ( "CG", "CD", "NE" ) : [ 110.7, 1.9], ( "N", "CA", "C" ) : [ 111.3, 2.5], ( "NH1", "CZ", "NH2" ) : [ 119.9, 1.0], ( "CB", "CA", "C" ) : [ 110.5, 1.5], ( "N", "CA", "CB" ) : [ 111.0, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.6, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.5, 1.0], ( "CA", "CB", "CG" ) : [ 114.5, 1.5], ( "CB", "CG", "CD" ) : [ 111.1, 2.0], ( "CA", "C", "O" ) : [ 120.6, 1.0], ( "CD", "NE", "CZ" ) : [ 124.4, 1.1], }, "ptt85" : { # population : 791 ( "CG", "CD", "NE" ) : [ 111.9, 2.5], ( "N", "CA", "C" ) : [ 110.8, 2.5], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 110.2, 1.4], ( "N", "CA", "CB" ) : [ 111.0, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.7, 1.0], ( "CA", "CB", "CG" ) : [ 114.8, 1.4], ( "CB", "CG", "CD" ) : [ 111.0, 1.9], ( "CA", "C", "O" ) : [ 120.6, 1.0], ( "CD", "NE", "CZ" ) : [ 124.9, 1.0], }, "tmm_?" : { # population : 151 ( "CG", "CD", "NE" ) : [ 112.1, 2.0], ( "N", "CA", "C" ) : [ 109.9, 1.8], ( "NH1", "CZ", "NH2" ) : [ 119.5, 1.0], ( "CB", "CA", "C" ) : [ 111.2, 1.0], ( "N", "CA", "CB" ) : [ 110.0, 1.1], ( "NE", "CZ", "NH2" ) : [ 119.7, 1.0], ( "NE", "CZ", "NH1" ) : [ 120.7, 1.0], ( "CA", "CB", "CG" ) : [ 115.1, 1.3], ( "CB", "CG", "CD" ) : [ 113.1, 2.1], ( "CA", "C", "O" ) : [ 120.6, 1.0], ( "CD", "NE", "CZ" ) : [ 124.7, 1.2], }, "tmt_?" : { # 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population : 3318 ( "CZ3", "CH2", "CZ2" ) : [ 121.5, 1.0], ( "CD1", "CG", "CD2" ) : [ 106.3, 1.0], ( "CE2", "CD2", "CE3" ) : [ 118.9, 1.0], ( "N", "CA", "C" ) : [ 110.1, 2.2], ( "CD2", "CE2", "CZ2" ) : [ 122.4, 1.0], ( "N", "CA", "CB" ) : [ 110.0, 1.4], ( "CB", "CG", "CD2" ) : [ 126.5, 1.0], ( "CG", "CD2", "CE3" ) : [ 133.9, 1.0], ( "CH2", "CZ2", "CE2" ) : [ 117.5, 1.0], ( "NE1", "CE2", "CD2" ) : [ 107.5, 1.0], ( "CD1", "NE1", "CE2" ) : [ 108.9, 1.0], ( "CA", "CB", "CG" ) : [ 114.3, 2.1], ( "CD2", "CE3", "CZ3" ) : [ 118.7, 1.0], ( "CB", "CG", "CD1" ) : [ 127.1, 1.0], ( "CG", "CD1", "NE1" ) : [ 110.1, 1.0], ( "CE2", "CD2", "CG" ) : [ 107.3, 1.0], ( "CE3", "CZ3", "CH2" ) : [ 121.0, 1.0], ( "NE1", "CE2", "CZ2" ) : [ 130.1, 1.0], ( "CA", "C", "O" ) : [ 120.7, 1.0], ( "CB", "CA", "C" ) : [ 110.6, 1.3], }, }, "TYR" : { "default" : { ( "CD1", "CE1", "CZ" ) : [ 119.6, 1.8], ( "CD1", "CG", "CD2" ) : [ 118.1, 1.5], ( "CB", "CA", "C" ) : [ 110.1, 1.9], ( "OH", "CZ", "CE2" ) : [ 119.9, 3.0], ( "N", "CA", "CB" ) : [ 110.5, 1.7], ( "CB", "CG", "CD2" ) : [ 120.8, 1.5], ( "CB", "CG", "CD1" ) : [ 120.8, 1.5], ( "CG", "CD2", "CE2" ) : [ 121.2, 1.5], ( "CZ", "CE2", "CD2" ) : [ 119.6, 1.8], ( "CA", "CB", "CG" ) : [ 113.9, 1.8], ( "CE1", "CZ", "OH" ) : [ 119.9, 3.0], ( "CE1", "CZ", "CE2" ) : [ 120.3, 2.0], ( "CG", "CD1", "CE1" ) : [ 121.2, 1.5], ( "CA", "C", "O" ) : [ 120.8, 1.7], ( "N", "CA", "C" ) : [ 111.2, 2.8], }, "m-30" : { # population : 3390 ( "CD1", "CE1", "CZ" ) : [ 119.5, 1.0], ( "CD1", "CG", "CD2" ) : [ 118.0, 1.0], ( "CB", "CA", "C" ) : [ 109.1, 1.7], ( "N", "CA", "CB" ) : [ 111.0, 1.2], ( "CZ", "CE2", "CD2" ) : [ 119.6, 1.0], ( "CB", "CG", "CD2" ) : [ 120.5, 1.0], ( "CB", "CG", "CD1" ) : [ 121.5, 1.0], ( "CG", "CD2", "CE2" ) : [ 121.3, 1.0], ( "CA", "CB", "CG" ) : [ 115.5, 1.7], ( "CE1", "CZ", "OH" ) : [ 120.0, 1.3], ( "OH", "CZ", "CE2" ) : [ 119.5, 1.3], ( "CE1", "CZ", "CE2" ) : [ 120.4, 1.0], ( "CG", "CD1", "CE1" ) : [ 121.1, 1.0], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "N", "CA", "C" ) : [ 111.5, 2.4], }, "m-85" : { # population : 21292 ( "CD1", "CE1", "CZ" ) : [ 119.5, 1.0], ( "CD1", "CG", "CD2" ) : [ 118.3, 1.0], ( "CB", "CA", "C" ) : [ 109.6, 1.9], ( "N", "CA", "CB" ) : [ 110.5, 1.1], ( "CZ", "CE2", "CD2" ) : [ 119.5, 1.0], ( "CB", "CG", "CD2" ) : [ 120.9, 1.0], ( "CB", "CG", "CD1" ) : [ 120.8, 1.0], ( "CG", "CD2", "CE2" ) : [ 121.1, 1.0], ( "CA", "CB", "CG" ) : [ 113.2, 2.0], ( "CE1", "CZ", "OH" ) : [ 119.7, 1.2], ( "OH", "CZ", "CE2" ) : [ 119.8, 1.2], ( "CE1", "CZ", "CE2" ) : [ 120.5, 1.0], ( "CG", "CD1", "CE1" ) : [ 121.1, 1.0], ( "CA", "C", "O" ) : [ 120.4, 1.0], ( "N", "CA", "C" ) : [ 111.4, 2.8], }, "p90" : { # population : 5253 ( "CD1", "CE1", "CZ" ) : [ 119.5, 1.0], ( "CD1", "CG", "CD2" ) : [ 118.1, 1.0], ( "CB", "CA", "C" ) : [ 110.6, 1.4], ( "N", "CA", "CB" ) : [ 111.2, 1.2], ( "CZ", "CE2", "CD2" ) : [ 119.6, 1.0], ( "CB", "CG", "CD2" ) : [ 120.9, 1.0], ( "CB", "CG", "CD1" ) : [ 121.0, 1.0], ( "CG", "CD2", "CE2" ) : [ 121.2, 1.0], ( "CA", "CB", "CG" ) : [ 114.8, 1.8], ( "CE1", "CZ", "OH" ) : [ 119.8, 1.2], ( "OH", "CZ", "CE2" ) : [ 119.7, 1.2], ( "CE1", "CZ", "CE2" ) : [ 120.5, 1.0], ( "CG", "CD1", "CE1" ) : [ 121.2, 1.0], ( "CA", "C", "O" ) : [ 120.7, 1.0], ( "N", "CA", "C" ) : [ 111.1, 2.6], }, "t80" : { # population : 15802 ( "CD1", "CE1", "CZ" ) : [ 119.5, 1.0], ( "CD1", "CG", "CD2" ) : [ 118.2, 1.0], ( "CB", "CA", "C" ) : [ 110.3, 1.2], ( "N", "CA", "CB" ) : [ 110.2, 1.4], ( "CZ", "CE2", "CD2" ) : [ 119.5, 1.0], ( "CB", "CG", "CD2" ) : [ 120.8, 1.0], ( "CB", "CG", "CD1" ) : [ 120.9, 1.0], ( "CG", "CD2", "CE2" ) : [ 121.1, 1.0], ( "CA", "CB", "CG" ) : [ 113.7, 2.1], ( "CE1", "CZ", "OH" ) : [ 119.7, 1.3], ( "OH", "CZ", "CE2" ) : [ 119.7, 1.3], ( "CE1", "CZ", "CE2" ) : [ 120.5, 1.0], ( "CG", "CD1", "CE1" ) : [ 121.1, 1.0], ( "CA", "C", "O" ) : [ 120.6, 1.0], ( "N", "CA", "C" ) : [ 110.4, 2.2], }, }, "VAL" : { "default" : { ( "N", "CA", "C" ) : [ 111.2, 2.8], ( "CB", "CA", "C" ) : [ 109.1, 2.2], ( "N", "CA", "CB" ) : [ 111.5, 1.7], ( "CA", "CB", "CG2" ) : [ 110.4, 1.7], ( "CA", "CB", "CG1" ) : [ 110.4, 1.7], ( "CG1", "CB", "CG2" ) : [ 110.8, 2.2], ( "CA", "C", "O" ) : [ 120.8, 1.7], }, "m" : { # population : 16830 ( "N", "CA", "C" ) : [ 111.1, 2.7], ( "CB", "CA", "C" ) : [ 109.8, 1.6], ( "N", "CA", "CB" ) : [ 112.3, 1.2], ( "CA", "CB", "CG2" ) : [ 111.3, 1.0], ( "CA", "CB", "CG1" ) : [ 110.4, 1.0], ( "CG1", "CB", "CG2" ) : [ 110.9, 1.2], ( "CA", "C", "O" ) : [ 120.5, 1.0], }, "p" : { # population : 5652 ( "N", "CA", "C" ) : [ 110.3, 2.5], ( "CB", "CA", "C" ) : [ 111.4, 1.6], ( "N", "CA", "CB" ) : [ 111.6, 1.2], ( "CA", "CB", "CG2" ) : [ 110.8, 1.0], ( "CA", "CB", "CG1" ) : [ 111.5, 1.1], ( "CG1", "CB", "CG2" ) : [ 111.0, 1.2], ( "CA", "C", "O" ) : [ 120.6, 1.0], }, "t" : { # population : 71756 ( "N", "CA", "C" ) : [ 109.4, 2.4], ( "CB", "CA", "C" ) : [ 110.2, 1.5], ( "N", "CA", "CB" ) : [ 111.3, 1.1], ( "CA", "CB", "CG2" ) : [ 110.2, 1.0], ( "CA", "CB", "CG1" ) : [ 110.7, 1.0], ( "CG1", "CB", "CG2" ) : [ 110.5, 1.1], ( "CA", "C", "O" ) : [ 120.5, 1.0], }, }, } def run(args): assert len(args) == 0 print rdl_database["ARG"]["mmt85"][("N", "CA", "C")] for res_type in sorted(rdl_database): print res_type, len(rdl_database[res_type]) if (__name__ == "__main__"): import sys run(args=sys.argv[1:])