NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
438455 | 2k4v | 15810 | cing | 4-filtered-FRED | Wattos | check | violation | dihedral angle |
data_2k4v save_distance_constraint_statistics_1 _TA_constraint_stats_list.Sf_category torsion_angle_constraint_statistics _TA_constraint_stats_list.Constraint_count 154 _TA_constraint_stats_list.Viol_count 572 _TA_constraint_stats_list.Viol_total 23064.15 _TA_constraint_stats_list.Viol_max 12.39 _TA_constraint_stats_list.Viol_rms 1.11 _TA_constraint_stats_list.Viol_average_all_restraints 0.37 _TA_constraint_stats_list.Viol_average_violations_only 2.02 _TA_constraint_stats_list.Cutoff_violation_report 5.00 _TA_constraint_stats_list.Details ; Description of the tags in this list: * 1 * Administrative tag * 2 * ID of the restraint list. * 3 * Number of restraints in list. * 4 * Number of violated restraints (each model violation is used). * 5 * Sum of violations in degrees. * 6 * Maximum violation of a restraint without averaging in any way. * 7 * Rms of violations over all restraints. * 8 * Average violation over all restraints. * 9 * Average violation over violated restraints. This violation is averaged over only those models in which the restraint is violated. Threshold for reporting violations (degrees) in the last columns of the next table. * 10 * This tag. Description of the tags in the per restraint table below: * 1 * Restraint ID within restraint list. * 2 * Torsion angle name where available. * 3 * First atom's: * 4 * Chain identifier (can be absent if none defined) * 5 * Residue number * 6 * Residue name * 7 * Name of (pseudo-)atom * 8 * Second thru fourth atom's identifiers occupy columns 7 thru 18. * 19 * Lower bound (degrees) * 20 * Upper bound (degrees) * 21 * Average angle in ensemble of models * 22 * Minimum angle in ensemble of models (counter clockwise from range) * 23 * Maximum angle in ensemble of models (clockwise from range) * 24 * Maximum violation (without any averaging) * 25 * Model number with the maximum violation * 26 * Number of models with a violation above cutoff * 27 * List of models with a violation above cutoff. See description above. * 28 * Administrative tag * 29 * Administrative tag ; loop_ _TA_constraint_stats.Restraint_ID _TA_constraint_stats.Torsion_angle_name _TA_constraint_stats.Entity_assembly_ID_1 _TA_constraint_stats.Comp_index_ID_1 _TA_constraint_stats.Comp_ID_1 _TA_constraint_stats.Atom_ID_1 _TA_constraint_stats.Entity_assembly_ID_2 _TA_constraint_stats.Comp_index_ID_2 _TA_constraint_stats.Comp_ID_2 _TA_constraint_stats.Atom_ID_2 _TA_constraint_stats.Entity_assembly_ID_3 _TA_constraint_stats.Comp_index_ID_3 _TA_constraint_stats.Comp_ID_3 _TA_constraint_stats.Atom_ID_3 _TA_constraint_stats.Entity_assembly_ID_4 _TA_constraint_stats.Comp_index_ID_4 _TA_constraint_stats.Comp_ID_4 _TA_constraint_stats.Atom_ID_4 _TA_constraint_stats.Angle_lower_bound_val _TA_constraint_stats.Angle_upper_bound_val _TA_constraint_stats.Angle_average _TA_constraint_stats.Angle_minimum _TA_constraint_stats.Angle_maximum _TA_constraint_stats.Max_violation _TA_constraint_stats.Max_violation_model_number _TA_constraint_stats.Over_cutoff_violation_count _TA_constraint_stats.Over_cutoff_violation_per_model 1 . 1 3 HIS C 1 4 MET N 1 4 MET CA 1 4 MET C 171.00 -71.00 -116.19 -98.62 -114.55 . . 0 "[ . 1 . 2]" 2 . 1 4 MET N 1 4 MET CA 1 4 MET C 1 5 PHE N 98.60 171.10 126.04 96.71 175.54 4.44 9 0 "[ . 1 . 2]" 3 . 1 4 MET C 1 5 PHE N 1 5 PHE CA 1 5 PHE C -167.90 -84.30 -110.44 -149.08 -77.18 7.12 17 1 "[ . 1 . + 2]" 4 . 1 5 PHE N 1 5 PHE CA 1 5 PHE C 1 6 GLU N 114.70 147.40 139.11 125.76 148.58 1.18 10 0 "[ . 1 . 2]" 5 . 1 5 PHE C 1 6 GLU N 1 6 GLU CA 1 6 GLU C -169.60 -38.10 -145.06 -156.04 -124.78 . . 0 "[ . 1 . 2]" 6 . 1 6 GLU N 1 6 GLU CA 1 6 GLU C 1 7 PRO N 73.60 169.60 155.50 151.61 161.61 . . 0 "[ . 1 . 2]" 7 . 1 8 GLY C 1 9 HIS N 1 9 HIS CA 1 9 HIS C -173.80 -81.40 -155.09 -155.26 -157.80 . . 0 "[ . 1 . 2]" 8 . 1 9 HIS N 1 9 HIS CA 1 9 HIS C 1 10 LEU N 116.10 151.40 143.14 119.83 153.75 2.35 1 0 "[ . 1 . 2]" 9 . 1 9 HIS C 1 10 LEU N 1 10 LEU CA 1 10 LEU C -150.40 -102.90 -126.92 -126.91 -129.33 1.95 17 0 "[ . 1 . 2]" 10 . 1 10 LEU N 1 10 LEU CA 1 10 LEU C 1 11 HIS N 112.30 146.90 136.41 128.93 125.74 3.14 19 0 "[ . 1 . 2]" 11 . 1 10 LEU C 1 11 HIS N 1 11 HIS CA 1 11 HIS C -134.80 -99.30 -113.58 -133.38 -97.47 1.83 8 0 "[ . 1 . 2]" 12 . 1 11 HIS N 1 11 HIS CA 1 11 HIS C 1 12 LEU N 118.50 139.50 128.76 115.54 139.96 2.96 2 0 "[ . 1 . 2]" 13 . 1 11 HIS C 1 12 LEU N 1 12 LEU CA 1 12 LEU C -134.40 -89.80 -113.63 -111.10 -118.53 2.07 10 0 "[ . 1 . 2]" 14 . 1 12 LEU N 1 12 LEU CA 1 12 LEU C 1 13 VAL N 112.00 149.40 122.21 109.59 137.26 2.41 5 0 "[ . 1 . 2]" 15 . 1 12 LEU C 1 13 VAL N 1 13 VAL CA 1 13 VAL C -149.50 -106.00 -130.63 -151.02 -104.33 1.67 10 0 "[ . 1 . 2]" 16 . 1 13 VAL N 1 13 VAL CA 1 13 VAL C 1 14 SER N 95.80 168.60 154.36 90.10 173.70 5.70 14 2 "[ . - +. 2]" 17 . 1 13 VAL C 1 14 SER N 1 14 SER CA 1 14 SER C -157.00 -39.50 -83.72 -86.20 -92.17 2.28 15 0 "[ . 1 . 2]" 18 . 1 14 SER N 1 14 SER CA 1 14 SER C 1 15 LEU N 105.30 159.30 130.72 154.35 138.14 5.61 4 1 "[ +. 1 . 2]" 19 . 1 22 ASP C 1 23 ILE N 1 23 ILE CA 1 23 ILE C -160.30 -90.60 -102.76 -123.97 -87.95 2.65 17 0 "[ . 1 . 2]" 20 . 1 23 ILE N 1 23 ILE CA 1 23 ILE C 1 24 ASN N 110.40 156.60 131.44 138.47 134.63 . . 0 "[ . 1 . 2]" 21 . 1 23 ILE C 1 24 ASN N 1 24 ASN CA 1 24 ASN C -151.10 -64.00 -147.57 -156.11 -137.12 5.01 3 1 "[ + . 1 . 2]" 22 . 1 24 ASN N 1 24 ASN CA 1 24 ASN C 1 25 ILE N 109.00 160.60 119.21 106.39 138.13 2.61 11 0 "[ . 1 . 2]" 23 . 1 24 ASN C 1 25 ILE N 1 25 ILE CA 1 25 ILE C -156.40 -98.80 -136.41 -139.32 -140.47 . . 0 "[ . 1 . 2]" 24 . 1 25 ILE N 1 25 ILE CA 1 25 ILE C 1 26 HIS N 117.80 152.60 137.20 141.21 140.52 1.50 20 0 "[ . 1 . 2]" 25 . 1 25 ILE C 1 26 HIS N 1 26 HIS CA 1 26 HIS C -153.60 -77.90 -107.63 -108.73 -112.40 . . 0 "[ . 1 . 2]" 26 . 1 26 HIS N 1 26 HIS CA 1 26 HIS C 1 27 ILE N 112.50 147.00 125.20 108.69 146.53 3.81 5 0 "[ . 1 . 2]" 27 . 1 26 HIS C 1 27 ILE N 1 27 ILE CA 1 27 ILE C -136.40 -103.00 -118.06 -114.88 -120.36 1.25 6 0 "[ . 1 . 2]" 28 . 1 27 ILE N 1 27 ILE CA 1 27 ILE C 1 28 ARG N 110.80 144.80 109.51 107.74 106.44 6.81 14 4 "[- .* 1 +. *]" 29 . 1 27 ILE C 1 28 ARG N 1 28 ARG CA 1 28 ARG C -150.80 -89.10 -101.45 -115.17 -91.41 . . 0 "[ . 1 . 2]" 30 . 1 28 ARG N 1 28 ARG CA 1 28 ARG C 1 29 TYR N 111.10 173.60 128.07 108.80 141.90 2.30 6 0 "[ . 1 . 2]" 31 . 1 28 ARG C 1 29 TYR N 1 29 TYR CA 1 29 TYR C -161.50 -113.00 -122.49 -126.33 -129.25 1.93 5 0 "[ . 1 . 2]" 32 . 1 29 TYR N 1 29 TYR CA 1 29 TYR C 1 30 GLU N 120.50 176.80 121.62 128.28 125.24 4.71 4 0 "[ . 1 . 2]" 33 . 1 29 TYR C 1 30 GLU N 1 30 GLU CA 1 30 GLU C -177.30 -121.30 -125.68 -122.06 -122.66 2.57 7 0 "[ . 1 . 2]" 34 . 1 30 GLU N 1 30 GLU CA 1 30 GLU C 1 31 VAL N 117.70 172.80 114.98 111.21 130.77 6.49 6 6 "[ *.+ **1*- . 2]" 35 . 1 30 GLU C 1 31 VAL N 1 31 VAL CA 1 31 VAL C -146.60 -41.50 -80.64 -77.71 -79.11 . . 0 "[ . 1 . 2]" 36 . 1 31 VAL N 1 31 VAL CA 1 31 VAL C 1 32 ARG N 118.80 138.80 119.97 115.21 131.40 3.59 19 0 "[ . 1 . 2]" 37 . 1 31 VAL C 1 32 ARG N 1 32 ARG CA 1 32 ARG C -153.70 -91.90 -133.69 -153.14 -114.58 . . 0 "[ . 1 . 2]" 38 . 1 32 ARG N 1 32 ARG CA 1 32 ARG C 1 33 GLN N 122.90 -175.50 160.27 165.08 163.64 . . 0 "[ . 1 . 2]" 39 . 1 32 ARG C 1 33 GLN N 1 33 GLN CA 1 33 GLN C -163.10 -63.10 -108.62 -115.89 -97.05 . . 0 "[ . 1 . 2]" 40 . 1 33 GLN N 1 33 GLN CA 1 33 GLN C 1 34 ASN N 114.40 163.80 118.23 120.60 119.41 3.87 9 0 "[ . 1 . 2]" 41 . 1 33 GLN C 1 34 ASN N 1 34 ASN CA 1 34 ASN C -102.00 -53.20 -99.12 -105.24 -91.65 3.24 8 0 "[ . 1 . 2]" 42 . 1 34 ASN N 1 34 ASN CA 1 34 ASN C 1 35 ALA N 70.30 -135.90 148.35 152.09 148.80 . . 0 "[ . 1 . 2]" 43 . 1 34 ASN C 1 35 ALA N 1 35 ALA CA 1 35 ALA C -70.50 -45.00 -70.35 -72.32 -66.37 1.82 17 0 "[ . 1 . 2]" 44 . 1 35 ALA N 1 35 ALA CA 1 35 ALA C 1 36 GLU N -56.40 -10.50 -19.20 -27.65 -10.94 . . 0 "[ . 1 . 2]" 45 . 1 35 ALA C 1 36 GLU N 1 36 GLU CA 1 36 GLU C -97.80 -51.70 -72.74 -73.63 -75.21 . . 0 "[ . 1 . 2]" 46 . 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 SER N -53.10 -4.20 -51.74 -49.91 -52.15 2.24 10 0 "[ . 1 . 2]" 47 . 1 36 GLU C 1 37 SER N 1 37 SER CA 1 37 SER C -134.20 -64.20 -123.66 -134.91 -108.57 0.71 15 0 "[ . 1 . 2]" 48 . 1 37 SER N 1 37 SER CA 1 37 SER C 1 38 GLY N -40.10 21.30 -3.77 17.13 5.91 0.61 8 0 "[ . 1 . 2]" 49 . 1 39 ALA C 1 40 TYR N 1 40 TYR CA 1 40 TYR C -169.70 -112.10 -153.86 -161.40 -140.62 . . 0 "[ . 1 . 2]" 50 . 1 40 TYR N 1 40 TYR CA 1 40 TYR C 1 41 VAL N 114.30 -168.50 171.55 169.88 166.96 . . 0 "[ . 1 . 2]" 51 . 1 40 TYR C 1 41 VAL N 1 41 VAL CA 1 41 VAL C -170.10 -88.50 -126.35 -133.44 -115.80 . . 0 "[ . 1 . 2]" 52 . 1 41 VAL N 1 41 VAL CA 1 41 VAL C 1 42 HIS N 104.70 156.90 128.35 128.81 128.02 . . 0 "[ . 1 . 2]" 53 . 1 41 VAL C 1 42 HIS N 1 42 HIS CA 1 42 HIS C -145.00 -60.40 -88.95 -89.52 -90.69 . . 0 "[ . 1 . 2]" 54 . 1 42 HIS N 1 42 HIS CA 1 42 HIS C 1 43 PHE N 93.90 143.70 119.40 108.34 134.16 . . 0 "[ . 1 . 2]" 55 . 1 42 HIS C 1 43 PHE N 1 43 PHE CA 1 43 PHE C -133.60 -70.60 -105.45 -96.56 -99.73 . . 0 "[ . 1 . 2]" 56 . 1 43 PHE N 1 43 PHE CA 1 43 PHE C 1 44 ASP N 113.30 158.30 130.10 110.39 145.05 2.91 7 0 "[ . 1 . 2]" 57 . 1 43 PHE C 1 44 ASP N 1 44 ASP CA 1 44 ASP C -162.70 -83.80 -125.54 -143.41 -105.11 . . 0 "[ . 1 . 2]" 58 . 1 44 ASP N 1 44 ASP CA 1 44 ASP C 1 45 MET N 114.70 160.80 130.02 114.15 148.74 0.55 20 0 "[ . 1 . 2]" 59 . 1 44 ASP C 1 45 MET N 1 45 MET CA 1 45 MET C -159.70 -119.60 -128.18 -141.71 -116.04 3.56 14 0 "[ . 1 . 2]" 60 . 1 45 MET N 1 45 MET CA 1 45 MET C 1 46 ASP N 132.50 179.80 135.09 140.19 136.91 4.03 16 0 "[ . 1 . 2]" 61 . 1 45 MET C 1 46 ASP N 1 46 ASP CA 1 46 ASP C 177.40 -91.80 -158.65 -167.79 -149.99 . . 0 "[ . 1 . 2]" 62 . 1 46 ASP N 1 46 ASP CA 1 46 ASP C 1 47 GLY N 131.10 -177.50 162.10 153.53 147.44 . . 0 "[ . 1 . 2]" 63 . 1 47 GLY C 1 48 GLU N 1 48 GLU CA 1 48 GLU C -177.00 -120.80 -151.47 -159.31 -142.08 . . 0 "[ . 1 . 2]" 64 . 1 48 GLU N 1 48 GLU CA 1 48 GLU C 1 49 ILE N 116.30 -178.10 140.80 157.73 115.19 8.01 19 8 "[* . *** ** -+2]" 65 . 1 48 GLU C 1 49 ILE N 1 49 ILE CA 1 49 ILE C -148.90 -102.90 -131.10 -158.04 -97.61 9.14 7 13 "[ *****+ 1*** .*** -]" 66 . 1 49 ILE N 1 49 ILE CA 1 49 ILE C 1 50 ASP N 106.20 156.10 115.42 101.33 130.69 4.87 2 0 "[ . 1 . 2]" 67 . 1 51 GLY C 1 52 LYS N 1 52 LYS CA 1 52 LYS C -142.60 -79.20 -90.36 -83.28 -86.37 3.51 13 0 "[ . 1 . 2]" 68 . 1 52 LYS N 1 52 LYS CA 1 52 LYS C 1 53 PRO N 110.90 -177.70 114.20 104.29 129.40 6.61 20 1 "[ . 1 . +]" 69 . 1 53 PRO C 1 54 PHE N 1 54 PHE CA 1 54 PHE C -178.80 -114.00 -145.38 -158.30 -125.54 . . 0 "[ . 1 . 2]" 70 . 1 54 PHE N 1 54 PHE CA 1 54 PHE C 1 55 SER N 139.70 176.90 153.31 155.27 150.52 1.68 20 0 "[ . 1 . 2]" 71 . 1 54 PHE C 1 55 SER N 1 55 SER CA 1 55 SER C -153.00 -69.30 -144.18 -153.58 -132.71 0.58 5 0 "[ . 1 . 2]" 72 . 1 55 SER N 1 55 SER CA 1 55 SER C 1 56 ASP N 114.30 158.20 119.58 117.43 116.51 3.75 13 0 "[ . 1 . 2]" 73 . 1 55 SER C 1 56 ASP N 1 56 ASP CA 1 56 ASP C -161.80 -98.90 -138.87 -155.40 -121.22 . . 0 "[ . 1 . 2]" 74 . 1 56 ASP N 1 56 ASP CA 1 56 ASP C 1 57 SER N 118.30 164.20 150.50 150.00 147.59 1.05 17 0 "[ . 1 . 2]" 75 . 1 56 ASP C 1 57 SER N 1 57 SER CA 1 57 SER C -175.20 -83.00 -147.89 -157.19 -140.54 . . 0 "[ . 1 . 2]" 76 . 1 57 SER N 1 57 SER CA 1 57 SER C 1 58 PHE N 118.30 -177.30 138.97 136.39 134.43 . . 0 "[ . 1 . 2]" 77 . 1 57 SER C 1 58 PHE N 1 58 PHE CA 1 58 PHE C 165.20 -87.60 -139.76 -136.77 -137.47 . . 0 "[ . 1 . 2]" 78 . 1 58 PHE N 1 58 PHE CA 1 58 PHE C 1 59 GLU N 126.90 -176.00 144.25 144.71 143.43 . . 0 "[ . 1 . 2]" 79 . 1 58 PHE C 1 59 GLU N 1 59 GLU CA 1 59 GLU C -154.00 -93.80 -120.67 -124.89 -125.55 . . 0 "[ . 1 . 2]" 80 . 1 59 GLU N 1 59 GLU CA 1 59 GLU C 1 60 LEU N 125.70 168.30 130.93 123.91 143.57 1.79 2 0 "[ . 1 . 2]" 81 . 1 59 GLU C 1 60 LEU N 1 60 LEU CA 1 60 LEU C -162.90 -105.30 -125.48 -121.23 -123.19 . . 0 "[ . 1 . 2]" 82 . 1 60 LEU N 1 60 LEU CA 1 60 LEU C 1 61 PRO N 124.30 168.10 129.98 132.54 130.32 2.30 19 0 "[ . 1 . 2]" 83 . 1 62 ARG C 1 63 ASP N 1 63 ASP CA 1 63 ASP C -100.40 -41.60 -69.97 -67.83 -70.04 . . 0 "[ . 1 . 2]" 84 . 1 63 ASP N 1 63 ASP CA 1 63 ASP C 1 64 THR N -45.90 -5.70 -27.45 -28.64 -29.50 . . 0 "[ . 1 . 2]" 85 . 1 63 ASP C 1 64 THR N 1 64 THR CA 1 64 THR C -130.20 -58.60 -129.31 -132.49 -118.53 2.29 20 0 "[ . 1 . 2]" 86 . 1 64 THR N 1 64 THR CA 1 64 THR C 1 65 ALA N -44.90 22.40 9.15 -2.40 17.91 . . 0 "[ . 1 . 2]" 87 . 1 64 THR C 1 65 ALA N 1 65 ALA CA 1 65 ALA C -74.70 -46.80 -61.04 -68.34 -55.06 . . 0 "[ . 1 . 2]" 88 . 1 65 ALA N 1 65 ALA CA 1 65 ALA C 1 66 PHE N -47.40 -5.10 -36.17 -34.46 -36.71 . . 0 "[ . 1 . 2]" 89 . 1 65 ALA C 1 66 PHE N 1 66 PHE CA 1 66 PHE C -106.40 -71.90 -69.85 -71.52 -73.46 6.74 13 2 "[ . - 1 + . 2]" 90 . 1 66 PHE N 1 66 PHE CA 1 66 PHE C 1 67 ASN N -24.10 16.60 -10.49 -24.39 0.70 0.29 7 0 "[ . 1 . 2]" 91 . 1 66 PHE C 1 67 ASN N 1 67 ASN CA 1 67 ASN C -110.20 -51.70 -84.26 -83.61 -88.16 . . 0 "[ . 1 . 2]" 92 . 1 67 ASN N 1 67 ASN CA 1 67 ASN C 1 68 PHE N -60.00 6.90 0.78 -8.76 8.03 1.13 18 0 "[ . 1 . 2]" 93 . 1 67 ASN C 1 68 PHE N 1 68 PHE CA 1 68 PHE C -74.50 -54.50 -60.15 -73.52 -51.34 3.16 18 0 "[ . 1 . 2]" 94 . 1 68 PHE N 1 68 PHE CA 1 68 PHE C 1 69 ALA N -53.70 -20.20 -32.22 -35.78 -43.62 5.79 3 1 "[ + . 1 . 2]" 95 . 1 68 PHE C 1 69 ALA N 1 69 ALA CA 1 69 ALA C -72.70 -52.70 -67.48 -77.86 -50.07 5.16 5 1 "[ + 1 . 2]" 96 . 1 69 ALA N 1 69 ALA CA 1 69 ALA C 1 70 SER N -50.60 -30.40 -37.11 -50.78 -26.56 3.84 20 0 "[ . 1 . 2]" 97 . 1 69 ALA C 1 70 SER N 1 70 SER CA 1 70 SER C -72.60 -52.60 -71.63 -69.69 -71.35 3.51 7 0 "[ . 1 . 2]" 98 . 1 70 SER N 1 70 SER CA 1 70 SER C 1 71 ASP N -51.80 -31.80 -41.75 -40.99 -45.34 0.86 20 0 "[ . 1 . 2]" 99 . 1 70 SER C 1 71 ASP N 1 71 ASP CA 1 71 ASP C -72.40 -52.30 -70.95 -73.26 -73.69 2.20 16 0 "[ . 1 . 2]" 100 . 1 71 ASP N 1 71 ASP CA 1 71 ASP C 1 72 ALA N -57.10 -30.40 -52.57 -59.10 -41.01 2.00 13 0 "[ . 1 . 2]" 101 . 1 71 ASP C 1 72 ALA N 1 72 ALA CA 1 72 ALA C -78.30 -44.70 -50.88 -58.06 -43.55 1.15 12 0 "[ . 1 . 2]" 102 . 1 72 ALA N 1 72 ALA CA 1 72 ALA C 1 73 THR N -56.90 -30.60 -42.24 -51.01 -30.24 0.36 15 0 "[ . 1 . 2]" 103 . 1 72 ALA C 1 73 THR N 1 73 THR CA 1 73 THR C -85.20 -51.20 -68.30 -71.90 -73.77 . . 0 "[ . 1 . 2]" 104 . 1 73 THR N 1 73 THR CA 1 73 THR C 1 74 ARG N -52.00 -24.40 -42.46 -50.24 -23.24 1.16 17 0 "[ . 1 . 2]" 105 . 1 73 THR C 1 74 ARG N 1 74 ARG CA 1 74 ARG C -73.40 -48.10 -59.97 -74.46 -51.15 1.06 17 0 "[ . 1 . 2]" 106 . 1 74 ARG N 1 74 ARG CA 1 74 ARG C 1 75 VAL N -51.80 -31.80 -43.68 -35.51 -38.63 1.41 19 0 "[ . 1 . 2]" 107 . 1 74 ARG C 1 75 VAL N 1 75 VAL CA 1 75 VAL C -72.10 -52.10 -66.96 -62.66 -67.98 2.67 17 0 "[ . 1 . 2]" 108 . 1 75 VAL N 1 75 VAL CA 1 75 VAL C 1 76 ALA N -59.90 -33.80 -37.64 -50.21 -31.65 2.15 1 0 "[ . 1 . 2]" 109 . 1 75 VAL C 1 76 ALA N 1 76 ALA CA 1 76 ALA C -68.90 -48.90 -67.99 -75.66 -59.98 6.76 17 1 "[ . 1 . + 2]" 110 . 1 76 ALA N 1 76 ALA CA 1 76 ALA C 1 77 GLN N -52.10 -32.10 -44.93 -42.75 -43.06 2.25 17 0 "[ . 1 . 2]" 111 . 1 76 ALA C 1 77 GLN N 1 77 GLN CA 1 77 GLN C -78.60 -52.00 -69.90 -62.49 -65.40 0.25 15 0 "[ . 1 . 2]" 112 . 1 77 GLN N 1 77 GLN CA 1 77 GLN C 1 78 LYS N -50.50 -26.70 -30.07 -40.09 -22.16 4.54 11 0 "[ . 1 . 2]" 113 . 1 77 GLN C 1 78 LYS N 1 78 LYS CA 1 78 LYS C -85.80 -49.40 -61.51 -61.51 -64.05 0.80 17 0 "[ . 1 . 2]" 114 . 1 78 LYS N 1 78 LYS CA 1 78 LYS C 1 79 HIS N -45.80 -11.70 -30.71 -48.11 -7.64 4.06 5 0 "[ . 1 . 2]" 115 . 1 78 LYS C 1 79 HIS N 1 79 HIS CA 1 79 HIS C -107.50 -64.00 -91.52 -108.11 -74.34 0.61 17 0 "[ . 1 . 2]" 116 . 1 79 HIS N 1 79 HIS CA 1 79 HIS C 1 80 GLY N -20.80 24.40 6.36 20.98 15.47 12.39 7 3 "[ . + 1 . * -]" 117 . 1 83 PRO C 1 84 LYS N 1 84 LYS CA 1 84 LYS C -84.50 -49.20 -69.35 -83.59 -52.34 . . 0 "[ . 1 . 2]" 118 . 1 84 LYS N 1 84 LYS CA 1 84 LYS C 1 85 PHE N -66.60 -8.30 -31.75 -64.26 -7.13 1.17 20 0 "[ . 1 . 2]" 119 . 1 84 LYS C 1 85 PHE N 1 85 PHE CA 1 85 PHE C -89.10 -55.20 -71.56 -90.61 -54.77 1.51 4 0 "[ . 1 . 2]" 120 . 1 85 PHE N 1 85 PHE CA 1 85 PHE C 1 86 GLY N -49.60 -2.50 -31.19 -21.28 -25.57 4.72 20 0 "[ . 1 . 2]" 121 . 1 88 ILE C 1 89 THR N 1 89 THR CA 1 89 THR C -135.60 -39.00 -79.03 -129.56 -56.11 . . 0 "[ . 1 . 2]" 122 . 1 89 THR N 1 89 THR CA 1 89 THR C 1 90 ARG N -64.50 0.70 -30.18 -57.99 -2.15 . . 0 "[ . 1 . 2]" 123 . 1 94 GLU C 1 95 TYR N 1 95 TYR CA 1 95 TYR C -74.00 -54.00 -62.12 -58.54 -59.18 2.00 13 0 "[ . 1 . 2]" 124 . 1 95 TYR N 1 95 TYR CA 1 95 TYR C 1 96 ASP N -53.30 -33.30 -42.65 -35.34 -38.72 2.79 19 0 "[ . 1 . 2]" 125 . 1 95 TYR C 1 96 ASP N 1 96 ASP CA 1 96 ASP C -73.40 -53.40 -60.82 -57.91 -59.00 0.13 9 0 "[ . 1 . 2]" 126 . 1 96 ASP N 1 96 ASP CA 1 96 ASP C 1 97 ALA N -51.80 -31.20 -35.81 -45.50 -30.33 0.87 15 0 "[ . 1 . 2]" 127 . 1 96 ASP C 1 97 ALA N 1 97 ALA CA 1 97 ALA C -76.30 -53.20 -69.40 -69.85 -70.22 . . 0 "[ . 1 . 2]" 128 . 1 97 ALA N 1 97 ALA CA 1 97 ALA C 1 98 MET N -47.50 -27.50 -48.47 -52.33 -44.59 4.83 14 0 "[ . 1 . 2]" 129 . 1 97 ALA C 1 98 MET N 1 98 MET CA 1 98 MET C -86.00 -45.60 -64.54 -62.17 -63.41 . . 0 "[ . 1 . 2]" 130 . 1 98 MET N 1 98 MET CA 1 98 MET C 1 99 PHE N -57.00 -27.80 -37.02 -38.02 -39.25 1.90 13 0 "[ . 1 . 2]" 131 . 1 98 MET C 1 99 PHE N 1 99 PHE CA 1 99 PHE C -71.10 -51.10 -55.73 -56.48 -58.49 1.31 4 0 "[ . 1 . 2]" 132 . 1 99 PHE N 1 99 PHE CA 1 99 PHE C 1 100 GLU N -53.00 -33.00 -49.92 -48.29 -50.09 3.11 19 0 "[ . 1 . 2]" 133 . 1 99 PHE C 1 100 GLU N 1 100 GLU CA 1 100 GLU C -80.80 -50.20 -72.84 -82.26 -61.70 1.46 8 0 "[ . 1 . 2]" 134 . 1 100 GLU N 1 100 GLU CA 1 100 GLU C 1 101 ASP N -49.60 -29.60 -28.33 -28.77 -30.37 4.03 17 0 "[ . 1 . 2]" 135 . 1 100 GLU C 1 101 ASP N 1 101 ASP CA 1 101 ASP C -71.40 -51.40 -67.51 -73.24 -59.47 1.84 10 0 "[ . 1 . 2]" 136 . 1 101 ASP N 1 101 ASP CA 1 101 ASP C 1 102 ILE N -60.00 -35.20 -52.97 -54.18 -54.40 0.85 17 0 "[ . 1 . 2]" 137 . 1 101 ASP C 1 102 ILE N 1 102 ILE CA 1 102 ILE C -73.10 -52.40 -60.30 -55.33 -57.16 . . 0 "[ . 1 . 2]" 138 . 1 102 ILE N 1 102 ILE CA 1 102 ILE C 1 103 ARG N -58.10 -37.10 -42.34 -55.65 -36.42 0.68 3 0 "[ . 1 . 2]" 139 . 1 102 ILE C 1 103 ARG N 1 103 ARG CA 1 103 ARG C -69.40 -49.40 -64.19 -65.94 -68.40 0.34 1 0 "[ . 1 . 2]" 140 . 1 103 ARG N 1 103 ARG CA 1 103 ARG C 1 104 ALA N -52.60 -32.60 -30.31 -29.16 -29.61 4.50 8 0 "[ . 1 . 2]" 141 . 1 103 ARG C 1 104 ALA N 1 104 ALA CA 1 104 ALA C -73.20 -53.20 -72.98 -76.59 -66.08 3.39 2 0 "[ . 1 . 2]" 142 . 1 104 ALA N 1 104 ALA CA 1 104 ALA C 1 105 LYS N -52.20 -31.60 -45.64 -54.47 -38.14 2.27 2 0 "[ . 1 . 2]" 143 . 1 104 ALA C 1 105 LYS N 1 105 LYS CA 1 105 LYS C -76.30 -53.00 -62.66 -72.82 -55.46 . . 0 "[ . 1 . 2]" 144 . 1 105 LYS N 1 105 LYS CA 1 105 LYS C 1 106 LEU N -54.20 -31.00 -38.07 -40.46 -41.68 2.81 17 0 "[ . 1 . 2]" 145 . 1 105 LYS C 1 106 LEU N 1 106 LEU CA 1 106 LEU C -79.70 -54.50 -66.10 -71.77 -61.71 . . 0 "[ . 1 . 2]" 146 . 1 106 LEU N 1 106 LEU CA 1 106 LEU C 1 107 HIS N -56.30 -11.20 -28.93 -28.76 -31.37 . . 0 "[ . 1 . 2]" 147 . 1 106 LEU C 1 107 HIS N 1 107 HIS CA 1 107 HIS C -89.00 -46.40 -75.97 -77.64 -80.68 0.25 5 0 "[ . 1 . 2]" 148 . 1 107 HIS N 1 107 HIS CA 1 107 HIS C 1 108 ALA N -61.60 -19.00 -20.56 -18.70 -19.91 3.85 4 0 "[ . 1 . 2]" 149 . 1 111 GLY C 1 112 GLU N 1 112 GLU CA 1 112 GLU C -174.30 -47.50 -84.38 -147.94 -56.29 . . 0 "[ . 1 . 2]" 150 . 1 112 GLU N 1 112 GLU CA 1 112 GLU C 1 113 PRO N 117.50 178.40 142.04 139.40 129.14 3.30 13 0 "[ . 1 . 2]" 151 . 1 115 ASP C 1 116 LEU N 1 116 LEU CA 1 116 LEU C -96.90 -47.60 -63.87 -60.63 -61.38 1.82 15 0 "[ . 1 . 2]" 152 . 1 116 LEU N 1 116 LEU CA 1 116 LEU C 1 117 GLU N -79.00 12.80 -30.61 -43.03 -6.15 . . 0 "[ . 1 . 2]" 153 . 1 121 ARG C 1 122 HIS N 1 122 HIS CA 1 122 HIS C -167.10 -46.50 -125.97 -160.97 -167.16 1.20 14 0 "[ . 1 . 2]" 154 . 1 122 HIS N 1 122 HIS CA 1 122 HIS C 1 123 GLU N 129.70 175.90 137.48 126.75 176.21 2.95 10 0 "[ . 1 . 2]" stop_ save_
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