#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qom h LEU 1025N 0.00 -0.38 -1.59 1.20 5.85 -1.96 -0.62 115.31 117.80 2qom h LEU 1025Ca 0.00 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.69 2qom h LEU 1025Cb 0.00 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2qom h LEU 1025CO 0.00 -0.04 0.46 -1.13 -0.34 0.00 0.00 178.44 177.39 2qom h ASN 1026N -0.77 0.40 0.15 1.25 -1.24 -1.95 0.97 115.58 114.39 2qom h ASN 1026Ca -0.05 0.02 -0.24 0.00 0.71 0.00 0.00 56.30 56.74 2qom h ASN 1026Cb 0.51 -0.07 0.02 0.00 0.73 0.00 0.00 38.32 39.51 2qom h ASN 1026CO 0.08 0.23 -1.12 0.50 -1.29 0.00 0.00 177.43 175.82 2qom h LYS 1027N 0.44 0.32 -0.19 6.67 1.63 -1.82 -1.30 116.57 122.31 2qom h LYS 1027Ca 0.33 -0.55 -0.10 0.00 -0.85 0.00 0.00 60.65 59.48 2qom h LYS 1027Cb 0.68 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 2qom h LYS 1027CO -0.10 1.26 -0.31 -0.09 -3.45 0.00 0.00 179.45 176.77 2qom h ARG 1028N -0.26 0.38 0.00 1.90 2.43 -0.90 -3.43 114.38 114.49 2qom h ARG 1028Ca -0.21 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2qom h ARG 1028Cb 1.77 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 2qom h ARG 1028CO 0.14 0.65 -0.23 -1.33 -1.51 0.00 0.00 179.97 177.69 2qom n MET 1029N -4.10 0.00 0.00 0.20 2.81 0.32 -4.76 117.12 111.59 2qom n MET 1029Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2qom n MET 1029Cb 0.42 -0.35 0.00 0.00 -0.71 0.00 0.00 33.22 32.59 2qom n MET 1029CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qom n GLY 1030N 2.78 0.50 3.67 3.03 0.00 -0.49 -4.73 105.19 109.95 2qom n GLY 1030Ca 0.00 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 2qom n GLY 1030CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qom s ASP 1031N -4.00 6.90 0.00 1.61 2.15 -1.26 -4.33 116.67 117.74 2qom s ASP 1031Ca 0.00 1.10 0.14 0.00 0.43 0.00 0.00 52.55 54.23 2qom s ASP 1031Cb 0.00 -2.43 0.16 0.00 -0.30 0.00 0.00 42.92 40.36 2qom s ASP 1031CO 0.00 -0.34 1.02 0.18 -0.17 0.00 0.00 175.17 175.86 2qom n LEU 1032N 5.02 2.38 -4.73 -1.34 4.32 -1.26 -5.02 117.00 116.36 2qom n LEU 1032Ca 0.03 -1.18 -0.41 0.00 -0.02 0.00 0.00 56.01 54.42 2qom n LEU 1032Cb 0.49 -0.05 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 2qom n LEU 1032CO 0.47 0.47 0.86 -0.13 -1.22 0.00 0.00 177.39 177.84 2qom s ARG 1033N -1.16 4.49 -0.13 3.23 0.52 -1.26 -5.02 118.95 119.63 2qom s ARG 1033Ca 0.19 1.79 -0.04 0.00 -0.52 0.00 0.00 55.73 57.15 2qom s ARG 1033Cb 0.13 -3.29 0.02 0.00 0.52 0.00 0.00 34.95 32.32 2qom s ARG 1033CO 0.18 -0.11 0.08 -0.25 0.02 0.00 0.00 175.30 175.22 2qom n ASP 1034N 3.05 -5.18 -0.11 0.23 10.43 -1.26 -5.24 116.55 118.47 2qom n ASP 1034Ca 0.06 1.08 -0.13 0.00 2.57 0.00 0.00 54.79 58.37 2qom n ASP 1034Cb 0.46 -3.55 -0.13 0.00 1.84 0.00 0.00 41.12 39.74 2qom n ASP 1034CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2qom n GLU 1038N 1.66 0.73 -2.71 -1.24 -0.58 -1.14 -5.21 120.64 112.14 2qom n GLU 1038Ca -0.14 0.07 -0.22 0.00 -0.42 0.00 0.00 57.16 56.46 2qom n GLU 1038Cb 0.31 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.72 2qom n GLU 1038CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qom s ALA 1039N -2.48 3.85 -0.29 0.62 0.00 0.37 0.16 121.76 123.99 2qom s ALA 1039Ca -0.22 -1.26 -0.24 0.00 0.00 0.00 0.00 51.96 50.24 2qom s ALA 1039Cb 0.07 -2.10 0.14 0.00 0.00 0.00 0.00 23.12 21.23 2qom s ALA 1039CO 0.67 -0.67 1.12 0.20 0.00 0.00 0.00 175.76 177.08 2qom s GLY 1040N -4.38 -0.02 0.12 0.00 0.00 -0.58 -2.66 107.32 99.80 2qom s GLY 1040Ca 0.55 2.92 0.07 0.00 0.00 0.00 0.00 44.72 48.26 2qom s GLY 1040CO 0.38 1.93 -0.16 0.00 0.00 0.00 0.00 173.10 175.26 2qom s ALA 1041N 0.29 1.56 0.26 3.20 0.00 -0.75 -1.05 121.76 125.27 2qom s ALA 1041Ca 0.03 -1.26 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 2qom s ALA 1041Cb -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.97 2qom s ALA 1041CO -0.09 0.18 0.65 1.67 0.00 0.00 0.00 175.76 178.17 2qom s TRP 1042N -1.80 -0.12 -0.20 0.00 1.48 -0.35 -1.65 118.94 116.31 2qom s TRP 1042Ca 0.07 -0.30 -0.17 0.00 -1.06 0.00 0.00 56.10 54.65 2qom s TRP 1042Cb -0.07 0.59 0.05 0.00 -1.16 0.00 0.00 33.47 32.88 2qom s TRP 1042CO 0.04 -1.14 0.52 0.00 -4.06 0.00 0.00 176.95 172.30 2qom s ALA 1043N -3.92 -1.29 0.02 2.67 0.00 -0.79 -1.82 121.76 116.63 2qom s ALA 1043Ca 0.12 1.54 0.07 0.00 0.00 0.00 0.00 51.96 53.69 2qom s ALA 1043Cb -0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2qom s ALA 1043CO 0.05 -0.26 -0.21 0.50 0.00 0.00 0.00 175.76 175.85 2qom s ARG 1044N 0.53 1.48 -0.11 0.00 3.52 -0.32 -1.14 118.95 122.90 2qom s ARG 1044Ca -0.02 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.74 2qom s ARG 1044Cb -0.04 -1.53 0.01 0.00 -1.56 0.00 0.00 34.95 31.82 2qom s ARG 1044CO -0.03 0.40 -0.20 -1.50 -0.81 0.00 0.00 175.30 173.17 2qom s ILE 1045N -0.69 1.81 -0.17 4.11 2.07 -0.64 -0.95 121.20 126.75 2qom s ILE 1045Ca 0.08 -0.85 0.00 0.00 -1.41 0.00 0.00 60.65 58.47 2qom s ILE 1045Cb -0.08 -1.60 0.03 0.00 0.13 0.00 0.00 42.46 40.94 2qom s ILE 1045CO 0.01 0.50 -0.11 -0.32 -1.91 0.00 0.00 174.94 173.11 2qom s MET 1046N 0.69 1.99 0.00 3.50 -2.45 0.47 -1.14 119.30 122.36 2qom s MET 1046Ca -0.12 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 53.73 2qom s MET 1046Cb -0.16 -2.15 -0.03 0.00 1.25 0.00 0.00 34.83 33.74 2qom s MET 1046CO 0.02 -0.34 -0.05 0.45 1.05 0.00 0.00 175.02 176.16 2qom s SER 1047N 1.50 4.78 0.21 1.11 0.15 -0.54 0.02 113.70 120.94 2qom s SER 1047Ca 0.02 -0.10 -0.23 0.00 0.70 0.00 0.00 55.95 56.34 2qom s SER 1047Cb -0.14 -1.16 0.04 0.00 -1.71 0.00 0.00 66.02 63.05 2qom s SER 1047CO -0.09 0.28 0.86 -0.83 1.20 0.00 0.00 173.24 174.66 2qom s GLY 1048N -1.46 -0.15 -0.08 9.45 0.00 -0.76 -0.12 107.32 114.20 2qom s GLY 1048Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.71 2qom s GLY 1048CO 0.08 -0.00 0.26 -1.59 0.00 0.00 0.00 173.10 171.85 2qom s THR 1049N -3.51 0.01 0.35 0.90 2.01 0.15 -1.51 115.64 114.05 2qom s THR 1049Ca 0.12 -0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2qom s THR 1049Cb -0.03 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 2qom s THR 1049CO 0.05 -0.05 0.43 -0.83 -0.69 0.00 0.00 174.62 173.52 2qom s GLY 1050N -0.10 1.85 -0.14 4.40 0.00 -0.96 -0.85 107.32 111.51 2qom s GLY 1050Ca -0.02 -1.74 -0.24 0.00 0.00 0.00 0.00 44.72 42.71 2qom s GLY 1050CO 0.01 -1.16 0.60 -1.35 0.00 0.00 0.00 173.10 171.19 2qom s SER 1051N -3.30 -0.59 0.00 1.64 1.04 -0.19 -1.50 113.70 110.80 2qom s SER 1051Ca 0.34 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2qom s SER 1051Cb 0.00 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.00 2qom s SER 1051CO 0.24 -0.39 0.00 0.00 0.98 0.00 0.00 173.24 174.08 2qom n ALA 1052N 1.90 0.00 -1.35 5.32 0.00 -0.43 -1.74 120.51 124.21 2qom n ALA 1052Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 2qom n ALA 1052Cb 0.56 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.17 2qom n ALA 1052CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qom n SER 1053N -1.13 -0.84 -0.86 0.00 3.41 -1.24 -3.68 113.62 109.28 2qom n SER 1053Ca 0.00 -1.15 -0.11 0.00 -0.26 0.00 0.00 58.87 57.35 2qom n SER 1053Cb 0.00 -0.70 -0.05 0.00 -0.26 0.00 0.00 64.21 63.20 2qom n SER 1053CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qom n GLY 1054N -1.81 1.09 2.08 5.00 0.00 -1.26 -0.88 105.19 109.41 2qom n GLY 1054Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 2qom n GLY 1054CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qom n GLY 1055N 0.05 0.50 3.72 -0.02 0.00 -1.26 -1.82 105.19 106.36 2qom n GLY 1055Ca -0.11 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2qom n GLY 1055CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qom s PHE 1056N -2.01 3.34 0.00 1.61 5.36 -0.06 -3.92 117.98 122.31 2qom s PHE 1056Ca 0.00 1.15 -0.12 0.00 -0.96 0.00 0.00 56.93 56.99 2qom s PHE 1056Cb 0.00 -3.55 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 2qom s PHE 1056CO 0.00 -1.79 0.25 -1.54 -1.46 0.00 0.00 175.22 170.68 2qom s SER 1057N 1.01 -0.11 0.18 6.13 1.04 -0.41 -1.32 113.70 120.22 2qom s SER 1057Ca 0.61 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.99 2qom s SER 1057Cb -0.33 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.03 2qom s SER 1057CO 0.30 -0.46 0.03 1.51 0.98 0.00 0.00 173.24 175.61 2qom s ASP 1058N -1.49 1.00 0.07 7.02 1.47 -0.56 -1.04 116.67 123.14 2qom s ASP 1058Ca -0.12 -1.22 -0.09 0.00 1.18 0.00 0.00 52.55 52.30 2qom s ASP 1058Cb -0.05 0.17 0.00 0.00 -0.34 0.00 0.00 42.92 42.70 2qom s ASP 1058CO 0.02 -0.63 0.20 0.54 0.68 0.00 0.00 175.17 175.98 2qom s ASN 1059N -3.17 0.07 0.06 2.11 2.20 -0.42 -2.27 114.94 113.52 2qom s ASN 1059Ca 0.26 -0.52 -0.22 0.00 -0.94 0.00 0.00 52.86 51.45 2qom s ASN 1059Cb 0.07 0.32 0.05 0.00 -2.00 0.00 0.00 41.25 39.69 2qom s ASN 1059CO 0.05 -0.66 0.51 -0.72 -2.94 0.00 0.00 177.10 173.34 2qom s TYR 1060N -3.28 -0.40 -0.12 1.54 1.13 -0.57 -1.25 117.35 114.39 2qom s TYR 1060Ca 0.00 0.41 -0.01 0.00 -1.41 0.00 0.00 57.07 56.07 2qom s TYR 1060Cb 0.02 0.34 0.03 0.00 -1.10 0.00 0.00 41.96 41.25 2qom s TYR 1060CO -0.08 -0.65 -0.06 0.99 -2.51 0.00 0.00 175.55 173.24 2qom s THR 1061N -2.60 0.99 -0.20 -3.49 2.01 0.38 -1.82 115.64 110.92 2qom s THR 1061Ca -0.04 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 2qom s THR 1061Cb -0.01 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.44 2qom s THR 1061CO -0.03 0.29 -0.12 -2.28 -0.69 0.00 0.00 174.62 171.79 2qom s HIS 1062N 1.71 2.86 -0.08 4.92 5.04 0.10 -1.34 115.29 128.51 2qom s HIS 1062Ca 0.04 -1.26 0.03 0.00 -1.54 0.00 0.00 55.06 52.33 2qom s HIS 1062Cb -0.13 -2.00 -0.02 0.00 0.04 0.00 0.00 32.58 30.47 2qom s HIS 1062CO -0.08 -0.65 -0.17 0.08 -2.34 0.00 0.00 174.74 171.58 2qom s VAL 1063N 1.32 2.77 0.04 0.89 1.01 0.30 -0.39 120.40 126.34 2qom s VAL 1063Ca 0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2qom s VAL 1063Cb -0.14 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2qom s VAL 1063CO -0.07 0.56 -0.00 -1.58 0.00 0.00 0.00 175.10 174.01 2qom s GLN 1064N -0.14 0.53 0.04 2.72 0.74 -0.13 -0.07 119.66 123.35 2qom s GLN 1064Ca -0.02 -0.96 -0.17 0.00 0.05 0.00 0.00 55.36 54.26 2qom s GLN 1064Cb -0.14 0.19 0.03 0.00 1.10 0.00 0.00 33.01 34.19 2qom s GLN 1064CO 0.04 -0.10 0.38 0.08 -0.55 0.00 0.00 175.29 175.13 2qom s VAL 1065N -3.01 0.06 0.04 1.34 1.01 -0.49 -1.17 120.40 118.18 2qom s VAL 1065Ca -0.02 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 2qom s VAL 1065Cb 0.01 -0.92 0.09 0.00 0.00 0.00 0.00 36.38 35.57 2qom s VAL 1065CO -0.07 -0.28 1.02 -0.83 0.00 0.00 0.00 175.10 174.94 2qom s GLY 1066N -1.94 -0.34 -0.02 4.51 0.00 -0.76 -0.94 107.32 107.83 2qom s GLY 1066Ca -0.06 0.65 -0.07 0.00 0.00 0.00 0.00 44.72 45.24 2qom s GLY 1066CO -0.02 0.18 0.16 -1.34 0.00 0.00 0.00 173.10 172.08 2qom s VAL 1067N -3.00 0.05 -0.02 1.40 -7.23 -0.77 -1.21 120.40 109.63 2qom s VAL 1067Ca 0.10 -0.44 -0.29 0.00 -1.81 0.00 0.00 61.98 59.54 2qom s VAL 1067Cb -0.00 -0.37 0.08 0.00 0.56 0.00 0.00 36.38 36.64 2qom s VAL 1067CO -0.03 -0.24 0.71 1.51 -0.31 0.00 0.00 175.10 176.74 2qom s ASP 1068N -0.85 -0.59 0.13 4.85 1.47 -0.21 -1.71 116.67 119.76 2qom s ASP 1068Ca -0.09 0.50 -0.00 0.00 1.18 0.00 0.00 52.55 54.13 2qom s ASP 1068Cb -0.05 0.52 -0.04 0.00 -0.34 0.00 0.00 42.92 43.00 2qom s ASP 1068CO 0.01 -0.65 0.30 -1.59 0.68 0.00 0.00 175.17 173.92 2qom s LYS 1069N -1.80 3.49 -0.04 2.11 0.00 -0.99 -1.53 119.74 120.98 2qom s LYS 1069Ca -0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 55.97 55.50 2qom s LYS 1069Cb -0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 37.83 34.85 2qom s LYS 1069CO 0.03 0.51 0.03 0.15 0.00 0.00 0.00 175.35 176.08 2qom s LYS 1070N -2.91 2.95 -0.11 1.78 1.02 0.42 -2.07 119.74 120.83 2qom s LYS 1070Ca 0.37 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.90 2qom s LYS 1070Cb -0.12 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.41 2qom s LYS 1070CO 0.28 0.66 -0.21 -1.01 -0.92 0.00 0.00 175.35 174.16 2qom s HIS 1071N -1.05 2.35 -0.20 3.18 3.76 -0.42 -4.83 115.29 118.09 2qom s HIS 1071Ca 0.18 -1.04 -0.17 0.00 -0.15 0.00 0.00 55.06 53.88 2qom s HIS 1071Cb -0.12 -1.61 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 2qom s HIS 1071CO 0.08 -0.46 0.47 -1.21 -0.85 0.00 0.00 174.74 172.77 2qom s GLU 1072N 0.60 4.19 0.00 1.40 2.02 -1.26 -1.26 118.70 124.38 2qom s GLU 1072Ca -0.14 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.18 2qom s GLU 1072Cb -0.17 -3.55 0.00 0.00 0.10 0.00 0.00 34.13 30.52 2qom s GLU 1072CO 0.04 -0.09 0.00 1.28 0.02 0.00 0.00 175.26 176.51 2qom n LEU 1073N 4.61 0.00 -2.69 1.80 4.77 -1.26 -5.00 117.00 119.23 2qom n LEU 1073Ca -0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.65 2qom n LEU 1073Cb 0.51 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2qom n LEU 1073CO 0.41 0.00 2.50 0.61 -1.33 0.00 0.00 177.39 179.58 2qom n GLY 1075N 3.95 3.72 3.37 -0.72 0.00 -1.26 -4.80 105.19 109.45 2qom n GLY 1075Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.48 2qom n GLY 1075CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qom s LEU 1076N -0.06 0.19 -0.42 0.99 2.34 -1.26 -1.87 118.68 118.59 2qom s LEU 1076Ca 0.68 0.58 -0.10 0.00 0.06 0.00 0.00 54.13 55.35 2qom s LEU 1076Cb 0.25 1.75 0.07 0.00 -0.56 0.00 0.00 46.19 47.71 2qom s LEU 1076CO -0.04 -0.39 0.27 -1.81 -1.06 0.00 0.00 176.35 173.32 2qom s ASP 1077N -0.71 5.68 -0.47 1.48 1.01 -0.72 -4.41 116.67 118.53 2qom s ASP 1077Ca -0.08 -1.46 -0.19 0.00 0.71 0.00 0.00 52.55 51.53 2qom s ASP 1077Cb -0.03 -2.00 0.04 0.00 1.01 0.00 0.00 42.92 41.94 2qom s ASP 1077CO 0.04 -0.54 0.57 -0.22 0.21 0.00 0.00 175.17 175.23 2qom s LEU 1078N 1.45 4.88 0.23 1.23 2.96 -0.39 -2.06 118.68 126.98 2qom s LEU 1078Ca 0.03 -0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 53.02 2qom s LEU 1078Cb -0.23 -2.47 -0.08 0.00 0.50 0.00 0.00 46.19 43.91 2qom s LEU 1078CO 0.03 -0.77 0.68 -0.36 -1.32 0.00 0.00 176.35 174.60 2qom s PHE 1079N 2.49 3.55 -0.21 5.38 0.08 0.39 -1.30 117.98 128.35 2qom s PHE 1079Ca 0.15 1.24 -0.06 0.00 0.12 0.00 0.00 56.93 58.38 2qom s PHE 1079Cb -0.18 -2.52 0.10 0.00 -0.57 0.00 0.00 43.02 39.86 2qom s PHE 1079CO 0.14 0.29 0.43 0.95 -0.10 0.00 0.00 175.22 176.92 2qom s THR 1080N -1.65 -0.67 0.06 0.64 -4.23 -0.88 -0.54 115.64 108.38 2qom s THR 1080Ca 0.45 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 2qom s THR 1080Cb -0.14 -0.72 0.00 0.00 1.34 0.00 0.00 72.50 72.98 2qom s THR 1080CO 0.20 0.03 0.09 0.61 -0.54 0.00 0.00 174.62 175.00 2qom n GLY 1081N 5.39 2.80 3.48 3.99 0.00 -0.66 -2.35 105.19 117.84 2qom n GLY 1081Ca -0.07 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 2qom n GLY 1081CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qom s PHE 1082N -5.18 2.51 -0.05 1.61 5.36 -0.69 -1.59 117.98 119.95 2qom s PHE 1082Ca 0.04 -0.28 -0.10 0.00 -0.96 0.00 0.00 56.93 55.64 2qom s PHE 1082Cb -0.00 -1.33 0.02 0.00 -0.34 0.00 0.00 43.02 41.36 2qom s PHE 1082CO 0.03 0.38 0.24 -0.08 -1.46 0.00 0.00 175.22 174.33 2qom s THR 1083N -1.15 0.04 0.05 0.12 -1.32 0.21 -1.84 115.64 111.75 2qom s THR 1083Ca 0.18 -0.31 0.08 0.00 -1.21 0.00 0.00 61.69 60.42 2qom s THR 1083Cb -0.10 -0.45 -0.03 0.00 -1.51 0.00 0.00 72.50 70.41 2qom s THR 1083CO 0.10 -0.17 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.43 2qom s VAL 1084N -0.67 1.77 0.09 5.08 1.01 -0.11 -0.74 120.40 126.83 2qom s VAL 1084Ca -0.08 -1.28 0.04 0.00 0.00 0.00 0.00 61.98 60.66 2qom s VAL 1084Cb -0.04 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2qom s VAL 1084CO 0.02 0.20 -0.11 0.42 0.00 0.00 0.00 175.10 175.63 2qom s THR 1085N -0.85 0.95 -0.05 3.92 -4.23 -0.31 -1.39 115.64 113.68 2qom s THR 1085Ca 0.08 -1.55 -0.02 0.00 -1.18 0.00 0.00 61.69 59.03 2qom s THR 1085Cb -0.09 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.52 2qom s THR 1085CO 0.02 -0.49 0.10 -2.28 -0.54 0.00 0.00 174.62 171.44 2qom s HIS 1086N -2.16 -0.09 -0.22 3.99 2.46 0.90 -0.92 115.29 119.25 2qom s HIS 1086Ca 0.03 0.37 -0.00 0.00 0.47 0.00 0.00 55.06 55.93 2qom s HIS 1086Cb -0.05 -0.18 0.06 0.00 -0.13 0.00 0.00 32.58 32.28 2qom s HIS 1086CO 0.01 -0.16 -0.03 0.99 -2.47 0.00 0.00 174.74 173.08 2qom s THR 1087N 1.34 1.30 -0.10 0.89 2.01 0.49 -0.54 115.64 121.03 2qom s THR 1087Ca -0.07 -1.06 -0.23 0.00 0.31 0.00 0.00 61.69 60.64 2qom s THR 1087Cb -0.12 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 2qom s THR 1087CO -0.05 -0.12 0.69 -0.62 -0.69 0.00 0.00 174.62 173.84 2qom s ASP 1088N 1.50 6.93 -0.15 3.53 -1.08 -0.45 -0.94 116.67 126.01 2qom s ASP 1088Ca -0.05 1.12 -0.09 0.00 -0.52 0.00 0.00 52.55 53.01 2qom s ASP 1088Cb -0.18 -2.40 0.05 0.00 -1.46 0.00 0.00 42.92 38.92 2qom s ASP 1088CO -0.07 -0.16 0.36 -0.55 0.52 0.00 0.00 175.17 175.27 2qom s SER 1089N 0.88 -0.42 0.14 -0.34 0.15 -0.43 -0.47 113.70 113.21 2qom s SER 1089Ca 0.36 0.76 0.05 0.00 0.70 0.00 0.00 55.95 57.82 2qom s SER 1089Cb -0.17 0.68 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 2qom s SER 1089CO 0.16 -0.17 -0.12 -0.94 1.20 0.00 0.00 173.24 173.37 2qom s SER 1090N 1.04 1.88 0.12 5.45 1.04 -0.38 0.29 113.70 123.14 2qom s SER 1090Ca -0.07 -0.92 -0.23 0.00 0.48 0.00 0.00 55.95 55.21 2qom s SER 1090Cb -0.07 -0.04 0.06 0.00 0.10 0.00 0.00 66.02 66.08 2qom s SER 1090CO -0.08 -0.25 0.58 0.00 0.98 0.00 0.00 173.24 174.47 2qom s ALA 1091N -2.81 -1.53 0.16 5.32 0.00 -0.94 -1.31 121.76 120.66 2qom s ALA 1091Ca 0.13 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 2qom s ALA 1091Cb -0.01 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.85 2qom s ALA 1091CO 0.02 -0.69 0.42 -1.54 0.00 0.00 0.00 175.76 173.97 2qom s SER 1092N -2.50 -0.17 0.19 0.00 1.04 -0.20 -0.92 113.70 111.14 2qom s SER 1092Ca -0.01 -0.52 -0.22 0.00 0.48 0.00 0.00 55.95 55.68 2qom s SER 1092Cb -0.01 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.69 2qom s SER 1092CO -0.09 -0.94 1.00 0.00 0.98 0.00 0.00 173.24 174.19 2qom s ALA 1093N -3.87 -1.55 0.42 5.32 0.00 0.18 -1.29 121.76 120.97 2qom s ALA 1093Ca 0.09 -0.24 0.11 0.00 0.00 0.00 0.00 51.96 51.92 2qom s ALA 1093Cb 0.01 0.72 0.95 0.00 0.00 0.00 0.00 23.12 24.79 2qom s ALA 1093CO -0.05 -1.05 2.00 -0.44 0.00 0.00 0.00 175.76 176.21 2qom h ASP 1094N 2.00 0.43 0.07 0.00 3.32 -1.57 -2.81 116.42 117.86 2qom h ASP 1094Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2qom h ASP 1094Cb 1.22 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2qom h ASP 1094CO 0.33 0.28 -0.94 1.33 -1.72 0.00 0.00 179.24 178.52 2qom n VAL 1095N -4.47 0.00 -3.70 -1.35 0.24 -1.26 -4.67 118.33 103.12 2qom n VAL 1095Ca 0.08 -0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.30 2qom n VAL 1095Cb 0.27 0.90 -0.02 0.00 -1.47 0.00 0.00 33.84 33.52 2qom n VAL 1095CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 2qom s PHE 1096N -3.00 -0.30 0.07 6.34 -0.12 -1.06 -0.33 117.98 119.58 2qom s PHE 1096Ca 0.08 -0.05 0.01 0.00 -0.05 0.00 0.00 56.93 56.92 2qom s PHE 1096Cb 0.16 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 43.16 2qom s PHE 1096CO 0.85 -1.04 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.39 2qom s SER 1097N -2.85 0.83 0.23 1.98 1.04 -0.86 0.48 113.70 114.56 2qom s SER 1097Ca 0.08 -0.85 -0.21 0.00 0.48 0.00 0.00 55.95 55.44 2qom s SER 1097Cb -0.04 0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.25 2qom s SER 1097CO -0.00 -0.42 0.92 -0.83 0.98 0.00 0.00 173.24 173.88 2qom s GLY 1098N -2.54 0.04 0.04 7.32 0.00 -0.09 -0.68 107.32 111.40 2qom s GLY 1098Ca 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 2qom s GLY 1098CO -0.05 0.72 0.06 0.54 0.00 0.00 0.00 173.10 174.38 2qom s LYS 1099N -2.76 0.55 -0.13 2.90 1.02 -0.55 -2.21 119.74 118.56 2qom s LYS 1099Ca 0.16 -0.79 -0.05 0.00 0.02 0.00 0.00 55.97 55.31 2qom s LYS 1099Cb -0.03 0.21 0.06 0.00 -0.52 0.00 0.00 37.83 37.55 2qom s LYS 1099CO 0.06 -0.13 0.27 0.99 -0.92 0.00 0.00 175.35 175.62 2qom s THR 1100N -2.59 -0.39 -0.12 2.17 2.01 0.15 -0.92 115.64 115.95 2qom s THR 1100Ca -0.05 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2qom s THR 1100Cb -0.01 -0.45 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 2qom s THR 1100CO -0.05 0.11 0.29 -0.54 -0.69 0.00 0.00 174.62 173.75 2qom s LYS 1101N 2.34 4.03 0.03 4.92 3.01 -0.42 -1.31 119.74 132.34 2qom s LYS 1101Ca 0.00 0.13 0.03 0.00 -1.01 0.00 0.00 55.97 55.12 2qom s LYS 1101Cb -0.12 -3.34 -0.02 0.00 -1.01 0.00 0.00 37.83 33.35 2qom s LYS 1101CO -0.09 0.44 -0.09 -1.12 0.51 0.00 0.00 175.35 175.00 2qom s SER 1102N -0.16 1.00 -0.02 2.83 0.01 -0.12 -1.41 113.70 115.83 2qom s SER 1102Ca 0.18 -0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.03 2qom s SER 1102Cb -0.14 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2qom s SER 1102CO 0.06 -0.09 -0.06 -0.69 0.41 0.00 0.00 173.24 172.87 2qom s VAL 1103N -0.97 0.54 0.14 3.43 1.01 -0.40 -0.38 120.40 123.76 2qom s VAL 1103Ca -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.71 2qom s VAL 1103Cb -0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 2qom s VAL 1103CO 0.01 0.17 0.00 -0.83 0.00 0.00 0.00 175.10 174.45 2qom s GLY 1104N 0.17 1.04 0.06 4.51 0.00 -0.09 -0.91 107.32 112.09 2qom s GLY 1104Ca -0.02 -1.50 -0.04 0.00 0.00 0.00 0.00 44.72 43.16 2qom s GLY 1104CO -0.00 -1.46 0.06 0.00 0.00 0.00 0.00 173.10 171.70 2qom s ALA 1105N -3.76 0.16 -0.13 3.20 0.00 -0.51 -1.16 121.76 119.56 2qom s ALA 1105Ca 0.21 -0.88 -0.33 0.00 0.00 0.00 0.00 51.96 50.96 2qom s ALA 1105Cb 0.06 0.33 0.13 0.00 0.00 0.00 0.00 23.12 23.64 2qom s ALA 1105CO 0.01 -0.40 1.09 0.20 0.00 0.00 0.00 175.76 176.66 2qom s GLY 1106N -2.72 -0.35 0.09 0.00 0.00 0.08 -0.08 107.32 104.34 2qom s GLY 1106Ca 0.04 1.43 0.07 0.00 0.00 0.00 0.00 44.72 46.26 2qom s GLY 1106CO -0.09 0.49 -0.13 1.08 0.00 0.00 0.00 173.10 174.45 2qom s LEU 1107N -2.24 2.92 0.03 0.66 1.43 0.11 -0.62 118.68 120.97 2qom s LEU 1107Ca 0.08 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2qom s LEU 1107Cb -0.01 -1.73 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 2qom s LEU 1107CO -0.06 0.20 0.08 -0.72 0.23 0.00 0.00 176.35 176.07 2qom s TYR 1108N -1.14 0.19 -0.11 0.29 1.13 -0.62 -0.97 117.35 116.12 2qom s TYR 1108Ca 0.19 -0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 55.39 2qom s TYR 1108Cb -0.11 -0.14 0.03 0.00 -1.10 0.00 0.00 41.96 40.64 2qom s TYR 1108CO 0.11 -0.31 -0.01 0.00 -2.51 0.00 0.00 175.55 172.83 2qom s ALA 1109N -2.16 0.94 -0.23 9.51 0.00 0.10 -1.65 121.76 128.27 2qom s ALA 1109Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2qom s ALA 1109Cb -0.04 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.23 2qom s ALA 1109CO -0.03 -0.60 -0.12 -1.12 0.00 0.00 0.00 175.76 173.89 2qom s SER 1110N 1.88 3.93 -0.26 0.00 0.01 0.30 -0.51 113.70 119.05 2qom s SER 1110Ca 0.04 -0.91 -0.10 0.00 1.31 0.00 0.00 55.95 56.28 2qom s SER 1110Cb -0.13 -1.57 -0.05 0.00 0.21 0.00 0.00 66.02 64.48 2qom s SER 1110CO -0.06 -0.10 0.16 0.00 0.41 0.00 0.00 173.24 173.65 2qom s ALA 1111N 1.26 3.47 -0.32 1.44 0.00 0.67 -0.47 121.76 127.82 2qom s ALA 1111Ca -0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 2qom s ALA 1111Cb -0.16 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.66 2qom s ALA 1111CO -0.08 -0.45 0.04 -1.64 0.00 0.00 0.00 175.76 173.63 2qom s MET 1112N 1.56 2.35 0.36 0.00 -1.94 -0.88 -1.32 119.30 119.44 2qom s MET 1112Ca 0.07 -1.36 -0.16 0.00 -1.71 0.00 0.00 55.69 52.53 2qom s MET 1112Cb -0.15 -3.26 -0.09 0.00 2.01 0.00 0.00 34.83 33.34 2qom s MET 1112CO 0.08 -0.70 0.79 -0.06 -0.01 0.00 0.00 175.02 175.12 2qom s PHE 1113N 1.24 3.37 0.33 -0.03 0.08 0.80 -1.76 117.98 122.01 2qom s PHE 1113Ca -0.03 1.28 0.06 0.00 0.12 0.00 0.00 56.93 58.36 2qom s PHE 1113Cb -0.20 -2.59 0.58 0.00 -0.57 0.00 0.00 43.02 40.23 2qom s PHE 1113CO -0.01 0.02 1.81 -0.44 -0.10 0.00 0.00 175.22 176.50 2qom h ASP 1114N 2.05 0.36 0.20 1.36 3.32 -1.65 -2.82 116.42 119.24 2qom h ASP 1114Ca -0.48 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.47 2qom h ASP 1114Cb 1.18 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.63 2qom h ASP 1114CO 0.64 0.57 0.00 -1.54 -1.72 0.00 0.00 179.24 177.19 2qom n SER 1115N -4.19 0.02 0.00 6.45 3.41 -1.26 -4.81 113.62 113.24 2qom n SER 1115Ca -0.00 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2qom n SER 1115Cb 0.34 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2qom n SER 1115CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qom n GLY 1116N -0.92 0.40 3.89 5.00 0.00 -1.06 -4.90 105.19 107.61 2qom n GLY 1116Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2qom n GLY 1116CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qom s ALA 1117N -2.00 3.32 -0.05 4.61 0.00 -1.26 0.34 121.76 126.72 2qom s ALA 1117Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 2qom s ALA 1117Cb 0.00 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.41 2qom s ALA 1117CO 0.00 -0.34 0.25 1.52 0.00 0.00 0.00 175.76 177.19 2qom s TYR 1118N -2.75 -0.18 -0.04 0.00 1.13 -0.56 -0.14 117.35 114.81 2qom s TYR 1118Ca 0.50 0.38 0.05 0.00 -1.41 0.00 0.00 57.07 56.58 2qom s TYR 1118Cb -0.10 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.81 2qom s TYR 1118CO 0.43 -0.25 -0.18 0.42 -2.51 0.00 0.00 175.55 173.46 2qom s ILE 1119N -0.68 1.50 -0.11 -3.49 1.01 -0.43 -1.36 121.20 117.64 2qom s ILE 1119Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 2qom s ILE 1119Cb -0.04 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.18 2qom s ILE 1119CO 0.02 0.43 -0.06 -0.62 0.00 0.00 0.00 174.94 174.71 2qom s ASP 1120N -0.10 2.16 -0.11 3.58 2.15 0.10 -0.23 116.67 124.22 2qom s ASP 1120Ca -0.01 -0.31 0.00 0.00 0.43 0.00 0.00 52.55 52.66 2qom s ASP 1120Cb -0.11 -0.78 -0.02 0.00 -0.30 0.00 0.00 42.92 41.71 2qom s ASP 1120CO 0.02 -0.14 -0.11 -0.76 -0.17 0.00 0.00 175.17 174.01 2qom s LEU 1121N 1.75 2.87 -0.00 -1.34 1.43 0.33 -0.68 118.68 123.03 2qom s LEU 1121Ca 0.05 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2qom s LEU 1121Cb -0.13 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 2qom s LEU 1121CO -0.08 0.22 -0.03 -0.51 0.23 0.00 0.00 176.35 176.19 2qom s ILE 1122N 0.01 0.23 -0.09 -0.59 2.07 -0.84 0.00 121.20 122.00 2qom s ILE 1122Ca -0.03 -0.16 -0.00 0.00 -1.41 0.00 0.00 60.65 59.05 2qom s ILE 1122Cb -0.14 -0.21 0.02 0.00 0.13 0.00 0.00 42.46 42.27 2qom s ILE 1122CO 0.04 0.05 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.24 2qom s GLY 1123N -0.12 0.64 0.09 1.50 0.00 -0.15 -0.10 107.32 109.18 2qom s GLY 1123Ca 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 44.72 44.44 2qom s GLY 1123CO -0.00 0.86 -0.08 -1.59 0.00 0.00 0.00 173.10 172.29 2qom s LYS 1124N 1.66 0.81 -0.06 2.90 -2.85 -0.22 -0.71 119.74 121.27 2qom s LYS 1124Ca 0.02 -1.24 0.05 0.00 -1.00 0.00 0.00 55.97 53.80 2qom s LYS 1124Cb -0.13 -0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.32 2qom s LYS 1124CO -0.05 0.01 -0.21 -0.47 0.10 0.00 0.00 175.35 174.73 2qom s TYR 1125N -3.10 2.55 -0.04 1.78 5.04 0.88 -1.38 117.35 123.07 2qom s TYR 1125Ca 0.08 -0.56 0.04 0.00 -2.44 0.00 0.00 57.07 54.19 2qom s TYR 1125Cb 0.02 -1.63 -0.00 0.00 0.35 0.00 0.00 41.96 40.69 2qom s TYR 1125CO -0.03 -0.11 -0.16 0.08 -1.34 0.00 0.00 175.55 173.99 2qom s VAL 1126N -0.25 1.32 -0.21 3.14 1.01 -0.43 -1.42 120.40 123.56 2qom s VAL 1126Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 2qom s VAL 1126Cb -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2qom s VAL 1126CO 0.03 0.39 -0.10 -2.28 0.00 0.00 0.00 175.10 173.13 2qom s HIS 1127N 0.09 2.89 -0.19 5.22 2.46 -0.09 -1.20 115.29 124.48 2qom s HIS 1127Ca -0.04 -1.21 -0.06 0.00 0.47 0.00 0.00 55.06 54.22 2qom s HIS 1127Cb -0.11 -2.04 -0.03 0.00 -0.13 0.00 0.00 32.58 30.27 2qom s HIS 1127CO 0.02 -0.65 0.02 -1.01 -2.47 0.00 0.00 174.74 170.66 2qom s HIS 1128N 1.41 3.12 -0.05 3.88 3.76 0.11 -1.28 115.29 126.25 2qom s HIS 1128Ca 0.05 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 2qom s HIS 1128Cb -0.14 -2.06 -0.03 0.00 1.11 0.00 0.00 32.58 31.46 2qom s HIS 1128CO -0.07 -0.04 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.14 2qom s ASP 1129N 0.64 4.11 -0.11 1.40 1.01 -0.50 -0.16 116.67 123.06 2qom s ASP 1129Ca 0.01 -0.18 -0.09 0.00 0.71 0.00 0.00 52.55 52.99 2qom s ASP 1129Cb -0.14 -0.88 0.03 0.00 1.01 0.00 0.00 42.92 42.94 2qom s ASP 1129CO 0.02 0.34 0.28 0.20 0.21 0.00 0.00 175.17 176.22 2qom s ASN 1130N -0.80 -0.30 -0.05 0.27 0.01 -0.44 -1.30 114.94 112.34 2qom s ASN 1130Ca 0.12 0.57 -0.02 0.00 -0.71 0.00 0.00 52.86 52.82 2qom s ASN 1130Cb -0.11 0.56 0.04 0.00 0.41 0.00 0.00 41.25 42.15 2qom s ASN 1130CO 0.01 -0.11 0.11 -0.70 -1.51 0.00 0.00 177.10 174.90 2qom s GLU 1131N 0.29 0.04 -0.06 -0.60 2.12 -0.09 -1.60 118.70 118.81 2qom s GLU 1131Ca -0.01 0.32 -0.03 0.00 0.36 0.00 0.00 54.97 55.61 2qom s GLU 1131Cb -0.03 -0.21 0.04 0.00 0.26 0.00 0.00 34.13 34.18 2qom s GLU 1131CO -0.01 -0.18 0.10 -0.47 -0.54 0.00 0.00 175.26 174.17 2qom s TYR 1132N 1.21 -0.04 -0.25 5.30 5.04 -0.35 -1.48 117.35 126.78 2qom s TYR 1132Ca -0.08 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 2qom s TYR 1132Cb -0.12 -0.38 0.04 0.00 0.35 0.00 0.00 41.96 41.85 2qom s TYR 1132CO -0.05 -0.22 -0.10 0.95 -1.34 0.00 0.00 175.55 174.79 2qom s THR 1133N 2.21 2.47 0.31 4.34 -4.23 0.14 0.35 115.64 121.22 2qom s THR 1133Ca 0.04 -1.29 -0.29 0.00 -1.18 0.00 0.00 61.69 58.97 2qom s THR 1133Cb -0.12 -2.31 -0.10 0.00 1.34 0.00 0.00 72.50 71.31 2qom s THR 1133CO -0.04 0.14 1.37 0.00 -0.54 0.00 0.00 174.62 175.54 2qom s ALA 1134N 1.22 3.55 0.35 3.99 0.00 -1.26 -2.03 121.76 127.58 2qom s ALA 1134Ca -0.03 1.31 0.12 0.00 0.00 0.00 0.00 51.96 53.35 2qom s ALA 1134Cb -0.18 -3.52 0.91 0.00 0.00 0.00 0.00 23.12 20.34 2qom s ALA 1134CO -0.06 -0.71 1.80 1.15 0.00 0.00 0.00 175.76 177.94 2qom h THR 1135N 3.21 0.66 -3.04 0.00 2.02 -0.95 -3.42 112.91 111.40 2qom h THR 1135Ca -0.48 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 2qom h THR 1135Cb 1.22 0.02 -0.19 0.00 -1.74 0.00 0.00 68.15 67.46 2qom h THR 1135CO 0.69 0.11 -0.24 0.12 0.37 0.00 0.00 175.52 176.57 2qom s PHE 1136N -5.66 -0.19 -0.50 3.16 5.36 -1.26 -5.05 117.98 113.83 2qom s PHE 1136Ca -0.10 0.24 -0.08 0.00 -0.96 0.00 0.00 56.93 56.03 2qom s PHE 1136Cb 0.24 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 43.05 2qom s PHE 1136CO 0.80 -0.43 0.57 0.00 -1.46 0.00 0.00 175.22 174.69 2qom n ALA 1137N 1.08 -2.74 -0.70 11.12 0.00 -1.26 -5.01 120.51 123.00 2qom n ALA 1137Ca -0.21 0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2qom n ALA 1137Cb 0.57 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2qom n ALA 1137CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qom n THR 1141N -0.92 0.00 -4.06 0.00 5.66 -1.26 -4.23 114.28 109.46 2qom n THR 1141Ca 0.06 1.15 -0.12 0.00 -3.05 0.00 0.00 64.05 62.09 2qom n THR 1141Cb 0.45 -1.92 -0.11 0.00 -1.55 0.00 0.00 70.33 67.20 2qom n THR 1141CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2qom s ARG 1142N -1.59 0.53 -0.19 1.09 3.52 1.10 -3.67 118.95 119.74 2qom s ARG 1142Ca 0.00 -0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 54.71 2qom s ARG 1142Cb 0.00 -0.23 -0.04 0.00 -1.56 0.00 0.00 34.95 33.12 2qom s ARG 1142CO 0.00 0.03 0.09 -0.51 -0.81 0.00 0.00 175.30 174.10 2qom s ASP 1143N -1.73 5.84 0.39 -2.12 1.01 -1.26 -1.21 116.67 117.58 2qom s ASP 1143Ca -0.08 0.13 -0.12 0.00 0.71 0.00 0.00 52.55 53.19 2qom s ASP 1143Cb -0.08 -2.01 0.05 0.00 1.01 0.00 0.00 42.92 41.89 2qom s ASP 1143CO -0.00 0.17 0.74 0.00 0.21 0.00 0.00 175.17 176.29 2qom n TYR 1144N 3.54 -2.21 -3.83 4.23 4.11 -0.62 -5.02 117.16 117.35 2qom n TYR 1144Ca -0.16 -1.98 -0.12 0.00 -0.00 0.00 0.00 57.90 55.64 2qom n TYR 1144Cb 0.52 0.87 -0.11 0.00 -0.00 0.00 0.00 39.34 40.61 2qom n TYR 1144CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 2qom s SER 1145N -3.11 -0.11 0.22 9.48 1.04 -1.26 -1.32 113.70 118.63 2qom s SER 1145Ca 0.19 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.76 2qom s SER 1145Cb -0.04 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 2qom s SER 1145CO 0.14 -0.18 0.18 0.28 0.98 0.00 0.00 173.24 174.64 2qom s THR 1146N -0.47 0.00 0.21 2.02 -1.32 0.77 -5.01 115.64 111.85 2qom s THR 1146Ca -0.06 -1.94 -0.10 0.00 -1.21 0.00 0.00 61.69 58.38 2qom s THR 1146Cb -0.04 -2.48 -0.01 0.00 -1.51 0.00 0.00 72.50 68.47 2qom s THR 1146CO 0.01 0.00 0.37 -1.38 -2.21 0.00 0.00 174.62 171.41 2qom s HIS 1147N -4.06 0.45 -0.02 9.09 -3.43 -1.19 0.08 115.29 116.21 2qom s HIS 1147Ca 0.38 -0.79 -0.21 0.00 -0.80 0.00 0.00 55.06 53.64 2qom s HIS 1147Cb 0.06 0.03 0.04 0.00 -1.43 0.00 0.00 32.58 31.27 2qom s HIS 1147CO 0.13 -0.85 0.45 -1.54 -2.00 0.00 0.00 174.74 170.93 2qom s SER 1148N -3.01 -0.37 -0.11 7.38 1.04 -0.34 -1.35 113.70 116.94 2qom s SER 1148Ca 0.22 0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.95 2qom s SER 1148Cb 0.02 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.52 2qom s SER 1148CO 0.06 -0.53 -0.10 0.26 0.98 0.00 0.00 173.24 173.91 2qom s TRP 1149N -1.40 2.87 -0.02 5.02 0.52 -1.07 -1.32 118.94 123.54 2qom s TRP 1149Ca -0.12 -0.32 0.03 0.00 0.02 0.00 0.00 56.10 55.71 2qom s TRP 1149Cb -0.03 -1.80 -0.00 0.00 -1.15 0.00 0.00 33.47 30.48 2qom s TRP 1149CO 0.06 0.03 -0.11 0.71 0.02 0.00 0.00 176.95 177.66 2qom s TYR 1150N -0.11 1.01 -0.08 -1.98 2.02 -0.48 -0.34 117.35 117.39 2qom s TYR 1150Ca -0.00 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.51 2qom s TYR 1150Cb -0.13 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 2qom s TYR 1150CO 0.03 -0.06 -0.19 0.00 -1.57 0.00 0.00 175.55 173.76 2qom s ALA 1151N -0.06 1.75 0.08 3.71 0.00 -0.38 -1.06 121.76 125.80 2qom s ALA 1151Ca 0.01 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.30 2qom s ALA 1151Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2qom s ALA 1151CO 0.00 0.23 -0.19 0.20 0.00 0.00 0.00 175.76 176.01 2qom s GLY 1152N 0.38 1.09 0.00 0.00 0.00 0.85 -1.12 107.32 108.53 2qom s GLY 1152Ca -0.14 -1.11 0.02 0.00 0.00 0.00 0.00 44.72 43.49 2qom s GLY 1152CO 0.06 -1.09 -0.08 0.00 0.00 0.00 0.00 173.10 171.99 2qom s ALA 1153N -1.06 0.65 -0.01 3.20 0.00 -0.34 -1.98 121.76 122.22 2qom s ALA 1153Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.61 2qom s ALA 1153Cb -0.09 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2qom s ALA 1153CO 0.03 0.13 -0.03 -2.00 0.00 0.00 0.00 175.76 173.89 2qom s GLU 1154N -0.42 0.36 -0.00 0.00 2.12 0.14 -0.81 118.70 120.09 2qom s GLU 1154Ca 0.01 -0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.30 2qom s GLU 1154Cb -0.04 -0.39 -0.01 0.00 0.26 0.00 0.00 34.13 33.94 2qom s GLU 1154CO -0.00 0.02 -0.13 0.00 -0.54 0.00 0.00 175.26 174.61 2qom s ALA 1155N 0.26 1.07 0.37 6.30 0.00 0.59 0.02 121.76 130.37 2qom s ALA 1155Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 2qom s ALA 1155Cb -0.06 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.84 2qom s ALA 1155CO -0.00 0.26 0.63 0.41 0.00 0.00 0.00 175.76 177.05 2qom n GLY 1156N 2.66 1.53 3.15 0.00 0.00 -0.46 -0.64 105.19 111.43 2qom n GLY 1156Ca -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 2qom n GLY 1156CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qom s TYR 1157N -2.63 -1.15 -0.37 1.61 5.04 -0.98 -1.50 117.35 117.36 2qom s TYR 1157Ca 0.22 1.45 -0.21 0.00 -2.44 0.00 0.00 57.07 56.09 2qom s TYR 1157Cb -0.03 0.36 0.01 0.00 0.35 0.00 0.00 41.96 42.65 2qom s TYR 1157CO 0.16 -0.72 0.68 0.50 -1.34 0.00 0.00 175.55 174.83 2qom s ARG 1158N 2.71 3.63 -0.22 4.97 3.52 0.15 -3.49 118.95 130.22 2qom s ARG 1158Ca 0.10 0.05 -0.07 0.00 -0.13 0.00 0.00 55.73 55.69 2qom s ARG 1158Cb -0.14 -3.84 -0.03 0.00 -1.56 0.00 0.00 34.95 29.38 2qom s ARG 1158CO -0.17 -0.82 0.05 -0.47 -0.81 0.00 0.00 175.30 173.08 2qom s TYR 1159N 2.85 3.12 -0.43 5.12 5.04 0.03 -4.54 117.35 128.55 2qom s TYR 1159Ca 0.26 -0.26 -0.24 0.00 -2.44 0.00 0.00 57.07 54.39 2qom s TYR 1159Cb -0.14 -2.15 0.02 0.00 0.35 0.00 0.00 41.96 40.04 2qom s TYR 1159CO 0.16 -0.16 0.86 -1.01 -1.34 0.00 0.00 175.55 174.06 2qom s HIS 1160N 1.08 2.99 0.23 4.97 3.76 -1.26 -0.97 115.29 126.09 2qom s HIS 1160Ca 0.04 0.41 0.06 0.00 -0.15 0.00 0.00 55.06 55.41 2qom s HIS 1160Cb -0.14 -3.75 0.22 0.00 1.11 0.00 0.00 32.58 30.02 2qom s HIS 1160CO 0.03 -0.97 1.54 0.28 -0.85 0.00 0.00 174.74 174.76 2qom h VAL 1161N 5.96 1.43 -4.44 -0.90 2.07 -1.37 -3.46 116.25 115.54 2qom h VAL 1161Ca -0.24 -2.16 -0.27 0.00 0.82 0.00 0.00 66.70 64.85 2qom h VAL 1161Cb 1.08 2.14 -0.12 0.00 -1.52 0.00 0.00 31.29 32.86 2qom h VAL 1161CO 0.98 0.63 -0.44 0.42 0.02 0.00 0.00 177.57 179.18 2qom s THR 1162N -3.60 0.00 0.48 2.57 -4.23 -0.96 -4.98 115.64 104.92 2qom s THR 1162Ca -0.03 -1.84 0.16 0.00 -1.18 0.00 0.00 61.69 58.79 2qom s THR 1162Cb 0.12 -2.48 0.31 0.00 1.34 0.00 0.00 72.50 71.78 2qom s THR 1162CO 0.79 0.00 2.07 1.05 -0.54 0.00 0.00 174.62 177.99 2qom h GLU 1163N 2.36 0.18 0.00 3.99 9.09 -2.02 -2.88 114.58 125.31 2qom h GLU 1163Ca -0.31 -0.01 -0.05 0.00 0.05 0.00 0.00 59.36 59.04 2qom h GLU 1163Cb 1.24 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.30 2qom h GLU 1163CO 0.44 0.12 -0.27 0.22 0.05 0.00 0.00 179.01 179.57 2qom h ASP 1164N 0.19 0.00 -4.93 3.06 3.58 -1.95 -3.48 116.42 112.90 2qom h ASP 1164Ca 0.13 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.47 2qom h ASP 1164Cb 0.29 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.14 2qom h ASP 1164CO -0.02 0.23 -0.27 0.00 -2.88 0.00 0.00 179.24 176.30 2qom s ALA 1165N -3.10 -0.81 0.09 -0.78 0.00 -1.09 -1.65 121.76 114.43 2qom s ALA 1165Ca 0.05 0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 2qom s ALA 1165Cb 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2qom s ALA 1165CO 0.71 -0.26 0.12 1.67 0.00 0.00 0.00 175.76 178.00 2qom s TRP 1166N -1.24 0.41 -0.00 0.00 1.48 -0.40 -0.89 118.94 118.29 2qom s TRP 1166Ca -0.13 -0.86 0.06 0.00 -1.06 0.00 0.00 56.10 54.12 2qom s TRP 1166Cb -0.05 -0.22 -0.02 0.00 -1.16 0.00 0.00 33.47 32.02 2qom s TRP 1166CO 0.04 -0.52 -0.19 0.96 -4.06 0.00 0.00 176.95 173.18 2qom s ILE 1167N -3.92 1.54 -0.34 0.66 -4.36 -0.14 -1.82 121.20 112.82 2qom s ILE 1167Ca 0.10 -0.89 -0.01 0.00 -0.26 0.00 0.00 60.65 59.59 2qom s ILE 1167Cb 0.06 -1.29 0.13 0.00 1.25 0.00 0.00 42.46 42.60 2qom s ILE 1167CO -0.07 0.39 0.18 -0.70 0.24 0.00 0.00 174.94 174.98 2qom s GLU 1168N -0.59 0.53 0.40 0.37 2.12 0.92 -0.79 118.70 121.66 2qom s GLU 1168Ca 0.07 -1.16 -0.26 0.00 0.36 0.00 0.00 54.97 53.98 2qom s GLU 1168Cb -0.08 -1.41 -0.09 0.00 0.26 0.00 0.00 34.13 32.81 2qom s GLU 1168CO -0.00 -1.14 1.29 -1.25 -0.54 0.00 0.00 175.26 173.62 2qom s PRO 1169N 1.32 4.02 0.04 4.30 0.04 -1.23 -1.45 135.00 142.04 2qom s PRO 1169Ca 0.15 2.13 0.02 0.00 0.04 0.00 0.00 61.00 63.35 2qom s PRO 1169Cb -0.21 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 2qom s PRO 1169CO -0.11 -0.44 -0.08 -0.65 0.04 0.00 0.00 177.00 175.76 2qom s GLN 1170N -2.19 0.54 -0.06 4.56 -0.21 0.18 -2.32 119.66 120.16 2qom s GLN 1170Ca 0.56 -0.68 -0.04 0.00 0.02 0.00 0.00 55.36 55.22 2qom s GLN 1170Cb -0.38 -0.36 0.03 0.00 1.00 0.00 0.00 33.01 33.30 2qom s GLN 1170CO 0.48 0.07 0.14 0.00 -2.12 0.00 0.00 175.29 173.87 2qom s ALA 1171N -1.16 -0.30 -0.00 6.09 0.00 0.19 -1.37 121.76 125.21 2qom s ALA 1171Ca -0.07 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.44 2qom s ALA 1171Cb -0.09 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2qom s ALA 1171CO 0.00 -0.12 0.03 -1.83 0.00 0.00 0.00 175.76 173.84 2qom s GLU 1172N 0.74 0.16 -0.09 0.00 -1.05 0.11 -0.30 118.70 118.28 2qom s GLU 1172Ca -0.06 -0.17 0.01 0.00 -0.15 0.00 0.00 54.97 54.61 2qom s GLU 1172Cb -0.07 0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.70 2qom s GLU 1172CO -0.04 -0.03 -0.11 -1.17 0.95 0.00 0.00 175.26 174.87 2qom s LEU 1173N -0.52 1.49 -0.11 1.83 2.96 0.01 0.11 118.68 124.46 2qom s LEU 1173Ca -0.06 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 2qom s LEU 1173Cb -0.04 -0.85 0.00 0.00 0.50 0.00 0.00 46.19 45.81 2qom s LEU 1173CO -0.00 -0.02 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.09 2qom s VAL 1174N 1.05 1.98 -0.04 1.68 1.01 0.78 -1.19 120.40 125.67 2qom s VAL 1174Ca -0.07 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 60.99 2qom s VAL 1174Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.50 2qom s VAL 1174CO -0.01 0.54 -0.18 -0.47 0.00 0.00 0.00 175.10 174.98 2qom s TYR 1175N 0.49 1.78 0.14 5.22 5.04 -0.28 -0.09 117.35 129.66 2qom s TYR 1175Ca -0.16 -0.47 0.01 0.00 -2.44 0.00 0.00 57.07 54.01 2qom s TYR 1175Cb -0.17 -1.18 -0.04 0.00 0.35 0.00 0.00 41.96 40.91 2qom s TYR 1175CO 0.06 -0.13 -0.00 0.20 -1.34 0.00 0.00 175.55 174.33 2qom s GLY 1176N -0.11 1.02 -0.54 8.97 0.00 -0.26 -1.25 107.32 115.15 2qom s GLY 1176Ca -0.01 -1.49 0.05 0.00 0.00 0.00 0.00 44.72 43.27 2qom s GLY 1176CO 0.02 -1.46 0.45 -1.26 0.00 0.00 0.00 173.10 170.84 2qom n SER 1177N -0.14 1.26 -4.74 1.64 2.88 0.53 -3.40 113.62 111.66 2qom n SER 1177Ca -0.08 -2.81 -0.40 0.00 -1.33 0.00 0.00 58.87 54.26 2qom n SER 1177Cb 0.63 -0.65 -0.05 0.00 -0.75 0.00 0.00 64.21 63.39 2qom n SER 1177CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2qom s VAL 1178N -0.83 4.91 -0.66 2.46 1.01 -0.21 -2.61 120.40 124.47 2qom s VAL 1178Ca 0.30 1.47 -0.03 0.00 0.00 0.00 0.00 61.98 63.73 2qom s VAL 1178Cb 0.03 -4.05 0.17 0.00 0.00 0.00 0.00 36.38 32.53 2qom s VAL 1178CO -0.17 0.32 0.48 -0.94 0.00 0.00 0.00 175.10 174.80 2qom s SER 1179N 0.30 5.32 0.00 3.32 1.04 -0.46 -0.81 113.70 122.41 2qom s SER 1179Ca 0.37 -2.94 0.00 0.00 0.48 0.00 0.00 55.95 53.85 2qom s SER 1179Cb -0.19 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2qom s SER 1179CO 0.20 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2qom n GLY 1180N 3.37 2.49 3.20 7.32 0.00 -0.93 -3.19 105.19 117.46 2qom n GLY 1180Ca 0.09 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 2qom n GLY 1180CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qom s LYS 1181N 4.20 0.99 0.15 1.61 1.02 -1.26 -1.02 119.74 125.43 2qom s LYS 1181Ca 0.00 -1.46 -0.04 0.00 0.02 0.00 0.00 55.97 54.49 2qom s LYS 1181Cb 0.00 -0.15 -0.03 0.00 -0.52 0.00 0.00 37.83 37.13 2qom s LYS 1181CO 0.00 -0.12 0.16 -1.14 -0.92 0.00 0.00 175.35 173.33 2qom s GLN 1182N -3.92 1.06 0.20 1.68 0.74 0.22 -2.33 119.66 117.31 2qom s GLN 1182Ca 0.20 -1.35 -0.24 0.00 0.05 0.00 0.00 55.36 54.02 2qom s GLN 1182Cb 0.06 0.30 -0.08 0.00 1.10 0.00 0.00 33.01 34.39 2qom s GLN 1182CO 0.01 -0.34 0.79 -0.06 -0.55 0.00 0.00 175.29 175.14 2qom s PHE 1183N -4.03 3.83 0.11 1.67 0.40 -1.26 -0.66 117.98 118.04 2qom s PHE 1183Ca 0.23 1.61 -0.08 0.00 -0.60 0.00 0.00 56.93 58.09 2qom s PHE 1183Cb 0.06 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 40.82 2qom s PHE 1183CO 0.02 0.44 0.19 0.00 0.70 0.00 0.00 175.22 176.57 2qom s ALA 1184N -1.29 -0.04 0.10 5.36 0.00 -1.25 -4.63 121.76 120.01 2qom s ALA 1184Ca 0.39 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.63 2qom s ALA 1184Cb -0.21 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 2qom s ALA 1184CO 0.25 -0.54 -0.08 1.67 0.00 0.00 0.00 175.76 177.06 2qom s TRP 1185N -3.91 2.79 0.08 0.00 -2.14 -1.26 -0.35 118.94 114.16 2qom s TRP 1185Ca 0.10 -0.13 -0.01 0.00 2.66 0.00 0.00 56.10 58.72 2qom s TRP 1185Cb 0.05 -1.46 0.02 0.00 -3.10 0.00 0.00 33.47 28.98 2qom s TRP 1185CO -0.07 0.44 0.11 1.63 -2.66 0.00 0.00 176.95 176.40 2qom n LYS 1186N 0.67 -0.02 -3.68 3.25 5.02 -0.17 -4.73 118.16 118.50 2qom n LYS 1186Ca -0.13 -0.19 -0.06 0.00 -2.02 0.00 0.00 58.31 55.91 2qom n LYS 1186Cb 0.52 -0.11 -0.02 0.00 -0.02 0.00 0.00 35.03 35.40 2qom n LYS 1186CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qom s ASP 1187N -1.42 -0.28 0.00 4.39 1.01 -1.26 -2.64 116.67 116.46 2qom s ASP 1187Ca 0.07 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.02 2qom s ASP 1187Cb -0.00 0.53 0.00 0.00 1.01 0.00 0.00 42.92 44.46 2qom s ASP 1187CO 0.05 -0.94 0.20 0.61 0.21 0.00 0.00 175.17 175.29 2qom n GLY 1189N -0.41 0.50 1.77 0.21 0.00 -1.26 -5.07 105.19 100.92 2qom n GLY 1189Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2qom n GLY 1189CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2qom n MET 1190N 1.38 1.79 -3.63 1.61 -0.00 -1.08 -4.86 117.12 112.33 2qom n MET 1190Ca 0.00 -1.89 -0.03 0.00 -0.00 0.00 0.00 57.70 55.78 2qom n MET 1190Cb 0.07 -1.74 -0.03 0.00 -0.00 0.00 0.00 33.22 31.52 2qom n MET 1190CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 175.97 172.59 2qom s HIS 1191N -2.07 -0.06 -0.31 3.17 0.00 -1.26 -4.96 115.29 109.79 2qom s HIS 1191Ca 0.36 0.06 -0.15 0.00 -3.00 0.00 0.00 55.06 52.33 2qom s HIS 1191Cb 0.30 0.50 -0.02 0.00 -4.00 0.00 0.00 32.58 29.36 2qom s HIS 1191CO 0.07 -0.09 0.37 -1.17 -1.00 0.00 0.00 174.74 172.93 2qom s LEU 1192N -1.78 4.26 0.00 5.38 2.96 -1.26 -1.00 118.68 127.25 2qom s LEU 1192Ca 0.10 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2qom s LEU 1192Cb -0.01 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.29 2qom s LEU 1192CO -0.04 -0.29 0.00 -1.54 -1.32 0.00 0.00 176.35 173.16 2qom n SER 1193N 5.39 0.69 -3.20 3.68 3.41 0.53 -4.82 113.62 119.30 2qom n SER 1193Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2qom n SER 1193Cb 0.50 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 2qom n SER 1193CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2qom s MET 1194N 2.33 0.51 -0.18 4.33 1.75 -1.22 -3.84 119.30 122.99 2qom s MET 1194Ca 0.00 0.68 -0.08 0.00 -1.25 0.00 0.00 55.69 55.04 2qom s MET 1194Cb 0.00 0.20 -0.04 0.00 2.84 0.00 0.00 34.83 37.82 2qom s MET 1194CO 0.00 -0.81 0.09 0.21 -0.65 0.00 0.00 175.02 173.85 2qom s LYS 1195N 2.76 3.93 0.63 4.11 2.20 0.17 -4.87 119.74 128.67 2qom s LYS 1195Ca 0.15 -0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.35 2qom s LYS 1195Cb -0.13 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 2qom s LYS 1195CO -0.23 0.36 1.03 0.16 -0.36 0.00 0.00 175.35 176.31 2qom s ASP 1196N 0.15 6.02 -0.22 1.43 1.47 -1.26 -0.61 116.67 123.65 2qom s ASP 1196Ca 0.06 1.51 -0.08 0.00 1.18 0.00 0.00 52.55 55.22 2qom s ASP 1196Cb -0.12 -2.48 0.10 0.00 -0.34 0.00 0.00 42.92 40.08 2qom s ASP 1196CO -0.00 -1.01 0.47 -0.75 0.68 0.00 0.00 175.17 174.56 2qom s LYS 1197N -4.97 0.38 0.02 2.11 2.47 -0.19 -4.71 119.74 114.84 2qom s LYS 1197Ca 0.57 1.13 -0.16 0.00 -1.56 0.00 0.00 55.97 55.94 2qom s LYS 1197Cb -0.12 0.46 -0.06 0.00 -1.46 0.00 0.00 37.83 36.65 2qom s LYS 1197CO 0.51 -0.24 0.47 -0.51 0.16 0.00 0.00 175.35 175.74 2qom s ASP 1198N 2.67 6.90 0.19 1.43 1.01 -1.26 -2.20 116.67 125.41 2qom s ASP 1198Ca -0.03 1.07 -0.14 0.00 0.71 0.00 0.00 52.55 54.16 2qom s ASP 1198Cb -0.12 -2.29 0.01 0.00 1.01 0.00 0.00 42.92 41.53 2qom s ASP 1198CO -0.14 0.30 0.43 -0.72 0.21 0.00 0.00 175.17 175.26 2qom s TYR 1199N -1.06 0.09 -0.49 4.23 1.13 0.01 -4.79 117.35 116.47 2qom s TYR 1199Ca 0.26 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.50 2qom s TYR 1199Cb -0.18 0.22 0.13 0.00 -1.10 0.00 0.00 41.96 41.04 2qom s TYR 1199CO 0.15 -0.85 0.25 -0.80 -2.51 0.00 0.00 175.55 171.80 2qom s ASN 1200N -2.91 4.01 0.34 -0.18 0.01 -1.06 -1.05 114.94 114.10 2qom s ASN 1200Ca 0.13 -2.85 -0.29 0.00 -0.71 0.00 0.00 52.86 49.14 2qom s ASN 1200Cb 0.01 -1.36 -0.10 0.00 0.41 0.00 0.00 41.25 40.20 2qom s ASN 1200CO -0.01 -0.24 1.37 -2.16 -1.51 0.00 0.00 177.10 174.54 2qom s PRO 1201N -0.01 4.28 -0.21 -0.60 0.04 -1.22 -2.30 135.00 134.98 2qom s PRO 1201Ca 0.17 2.33 0.01 0.00 0.04 0.00 0.00 61.00 63.55 2qom s PRO 1201Cb -0.25 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.29 2qom s PRO 1201CO -0.00 -0.30 -0.11 -1.17 0.04 0.00 0.00 177.00 175.46 2qom s LEU 1202N -1.82 2.44 -0.14 -3.56 0.20 0.12 -1.10 118.68 114.83 2qom s LEU 1202Ca 0.50 -0.95 -0.00 0.00 0.69 0.00 0.00 54.13 54.37 2qom s LEU 1202Cb -0.42 -1.30 -0.01 0.00 -0.43 0.00 0.00 46.19 44.03 2qom s LEU 1202CO 0.55 -0.14 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.72 2qom s ILE 1203N 1.34 3.06 0.06 6.68 1.01 0.88 0.47 121.20 134.70 2qom s ILE 1203Ca -0.02 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.07 2qom s ILE 1203Cb -0.17 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2qom s ILE 1203CO -0.08 0.52 -0.25 -0.83 0.00 0.00 0.00 174.94 174.30 2qom s GLY 1204N 0.47 1.36 -0.02 6.18 0.00 0.14 -0.15 107.32 115.30 2qom s GLY 1204Ca -0.09 -1.25 -0.01 0.00 0.00 0.00 0.00 44.72 43.37 2qom s GLY 1204CO 0.04 -1.17 0.03 -1.60 0.00 0.00 0.00 173.10 170.41 2qom s ARG 1205N -1.39 0.01 -0.01 2.90 3.52 0.12 -1.09 118.95 123.01 2qom s ARG 1205Ca 0.11 0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.82 2qom s ARG 1205Cb -0.10 -0.07 -0.00 0.00 -1.56 0.00 0.00 34.95 33.22 2qom s ARG 1205CO 0.03 -0.06 -0.06 0.95 -0.81 0.00 0.00 175.30 175.35 2qom s THR 1206N 0.37 0.49 0.16 4.11 -4.23 -0.85 -0.71 115.64 114.97 2qom s THR 1206Ca -0.03 -0.24 -0.23 0.00 -1.18 0.00 0.00 61.69 60.00 2qom s THR 1206Cb -0.04 -0.43 0.08 0.00 1.34 0.00 0.00 72.50 73.44 2qom s THR 1206CO -0.01 0.15 1.06 -0.83 -0.54 0.00 0.00 174.62 174.45 2qom s GLY 1207N -0.00 0.03 -0.03 3.99 0.00 -0.47 -0.38 107.32 110.46 2qom s GLY 1207Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.54 2qom s GLY 1207CO -0.00 2.28 -0.10 0.14 0.00 0.00 0.00 173.10 175.42 2qom s VAL 1208N -2.30 0.90 -0.00 1.40 1.01 0.90 0.50 120.40 122.81 2qom s VAL 1208Ca 0.21 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2qom s VAL 1208Cb -0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2qom s VAL 1208CO 0.04 0.28 -0.18 -1.81 0.00 0.00 0.00 175.10 173.43 2qom s ASP 1209N 0.20 3.78 0.01 3.32 1.01 -0.53 -1.22 116.67 123.24 2qom s ASP 1209Ca -0.04 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 52.94 2qom s ASP 1209Cb -0.09 -0.66 -0.02 0.00 1.01 0.00 0.00 42.92 43.16 2qom s ASP 1209CO 0.01 0.30 -0.20 0.68 0.21 0.00 0.00 175.17 176.17 2qom s VAL 1210N -0.81 1.57 0.02 -1.27 -7.23 0.47 -0.06 120.40 113.10 2qom s VAL 1210Ca 0.13 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 59.21 2qom s VAL 1210Cb -0.10 -1.34 0.01 0.00 0.56 0.00 0.00 36.38 35.50 2qom s VAL 1210CO 0.03 0.32 0.20 -0.83 -0.31 0.00 0.00 175.10 174.51 2qom s GLY 1211N -0.78 0.01 -0.00 2.32 0.00 -0.75 -1.17 107.32 106.94 2qom s GLY 1211Ca 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.67 2qom s GLY 1211CO 0.00 -0.31 -0.06 1.25 0.00 0.00 0.00 173.10 173.98 2qom s LYS 1212N -2.02 0.51 0.27 2.90 2.47 -0.48 -1.28 119.74 122.11 2qom s LYS 1212Ca -0.09 -0.28 0.10 0.00 -1.56 0.00 0.00 55.97 54.14 2qom s LYS 1212Cb -0.04 -0.48 -0.04 0.00 -1.46 0.00 0.00 37.83 35.81 2qom s LYS 1212CO -0.01 0.13 -0.05 -1.54 0.16 0.00 0.00 175.35 174.04 2qom s SER 1213N -0.28 4.35 -0.01 1.43 1.04 -0.66 -1.27 113.70 118.29 2qom s SER 1213Ca 0.01 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2qom s SER 1213Cb -0.03 -0.73 0.00 0.00 0.10 0.00 0.00 66.02 65.36 2qom s SER 1213CO -0.00 0.01 -0.05 -0.36 0.98 0.00 0.00 173.24 173.82 2qom s PHE 1214N -2.35 0.50 0.27 5.02 0.08 -0.41 -4.97 117.98 116.13 2qom s PHE 1214Ca 0.31 -0.10 0.09 0.00 0.12 0.00 0.00 56.93 57.35 2qom s PHE 1214Cb -0.06 -0.38 -0.05 0.00 -0.57 0.00 0.00 43.02 41.96 2qom s PHE 1214CO 0.19 -0.05 -0.13 -1.12 -0.10 0.00 0.00 175.22 174.00 2qom s SER 1215N 0.19 3.11 0.00 1.36 0.01 -1.26 -0.39 113.70 116.72 2qom s SER 1215Ca -0.02 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.15 2qom s SER 1215Cb -0.06 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2qom s SER 1215CO -0.00 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2qom n GLY 1216N -0.57 1.23 0.00 3.44 0.00 -1.26 -4.94 105.19 103.09 2qom n GLY 1216Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2qom n GLY 1216CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qom n LYS 1217N 0.00 0.00 -1.70 1.61 4.01 -1.26 -5.05 118.16 115.76 2qom n LYS 1217Ca 0.00 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.40 2qom n LYS 1217Cb 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 35.03 34.54 2qom n LYS 1217CO 0.00 0.00 0.00 -2.67 -1.11 0.00 0.00 177.40 173.62 2qom n TRP 1219N 0.00 2.04 -4.54 2.13 4.27 -1.26 -4.77 117.44 115.30 2qom n TRP 1219Ca 0.00 0.47 -0.23 0.00 -3.89 0.00 0.00 57.50 53.86 2qom n TRP 1219Cb 0.27 -2.35 -0.14 0.00 -1.36 0.00 0.00 31.31 27.73 2qom n TRP 1219CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 2qom s LYS 1220N -2.43 1.15 -0.11 -2.67 2.20 0.56 -4.36 119.74 114.08 2qom s LYS 1220Ca 0.65 -0.75 -0.03 0.00 -0.36 0.00 0.00 55.97 55.48 2qom s LYS 1220Cb -0.47 -1.18 0.04 0.00 -1.51 0.00 0.00 37.83 34.71 2qom s LYS 1220CO 0.55 0.30 0.06 0.08 -0.36 0.00 0.00 175.35 175.98 2qom s VAL 1221N -0.69 0.02 -0.38 4.02 1.01 0.48 -0.14 120.40 124.72 2qom s VAL 1221Ca 0.05 0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 2qom s VAL 1221Cb -0.08 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.91 2qom s VAL 1221CO 0.01 -0.02 0.20 -0.89 0.00 0.00 0.00 175.10 174.40 2qom s THR 1222N 2.11 4.36 0.24 3.92 2.01 0.03 -1.29 115.64 127.02 2qom s THR 1222Ca 0.03 -1.02 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 2qom s THR 1222Cb -0.14 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 2qom s THR 1222CO -0.06 -0.28 1.16 0.00 -0.69 0.00 0.00 174.62 174.76 2qom s ALA 1223N 1.50 3.43 0.06 7.40 0.00 -0.40 -1.30 121.76 132.45 2qom s ALA 1223Ca 0.01 0.96 -0.06 0.00 0.00 0.00 0.00 51.96 52.88 2qom s ALA 1223Cb -0.20 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 2qom s ALA 1223CO 0.05 -0.31 0.10 -0.98 0.00 0.00 0.00 175.76 174.62 2qom s ARG 1224N -0.93 0.69 0.04 0.00 1.70 0.91 -1.39 118.95 119.98 2qom s ARG 1224Ca 0.49 -0.94 -0.12 0.00 -0.47 0.00 0.00 55.73 54.69 2qom s ARG 1224Cb -0.33 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.33 2qom s ARG 1224CO 0.40 -0.18 0.25 0.00 -1.08 0.00 0.00 175.30 174.69 2qom s ALA 1225N -3.37 -0.52 -0.03 7.88 0.00 -0.32 -0.51 121.76 124.89 2qom s ALA 1225Ca 0.02 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 2qom s ALA 1225Cb 0.03 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.47 2qom s ALA 1225CO -0.08 -0.38 0.33 0.20 0.00 0.00 0.00 175.76 175.83 2qom s GLY 1226N -2.03 -0.18 0.29 0.00 0.00 -0.56 -0.40 107.32 104.44 2qom s GLY 1226Ca -0.06 0.44 0.12 0.00 0.00 0.00 0.00 44.72 45.21 2qom s GLY 1226CO -0.03 0.22 -0.17 1.08 0.00 0.00 0.00 173.10 174.20 2qom s LEU 1227N -1.20 2.66 -0.01 0.66 1.43 -0.36 -1.54 118.68 120.33 2qom s LEU 1227Ca -0.12 -1.01 -0.30 0.00 -1.03 0.00 0.00 54.13 51.67 2qom s LEU 1227Cb -0.05 -1.14 0.11 0.00 0.03 0.00 0.00 46.19 45.14 2qom s LEU 1227CO 0.04 0.01 1.28 -0.83 0.23 0.00 0.00 176.35 177.08 2qom s GLY 1228N -3.54 -0.33 0.08 -3.19 0.00 -0.74 -0.07 107.32 99.54 2qom s GLY 1228Ca 0.30 0.51 0.08 0.00 0.00 0.00 0.00 44.72 45.62 2qom s GLY 1228CO 0.16 1.42 -0.22 -0.19 0.00 0.00 0.00 173.10 174.27 2qom s TYR 1229N -2.33 1.89 -0.02 1.90 2.02 0.49 -0.10 117.35 121.21 2qom s TYR 1229Ca 0.18 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.49 2qom s TYR 1229Cb 0.03 -1.07 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 2qom s TYR 1229CO -0.03 0.18 -0.03 -1.14 -1.57 0.00 0.00 175.55 172.96 2qom s GLN 1230N -1.65 0.41 0.06 -0.62 0.74 -0.64 -2.01 119.66 115.94 2qom s GLN 1230Ca 0.08 -0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.42 2qom s GLN 1230Cb -0.10 -0.45 -0.03 0.00 1.10 0.00 0.00 33.01 33.54 2qom s GLN 1230CO 0.04 0.01 -0.07 -0.59 -0.55 0.00 0.00 175.29 174.12 2qom s PHE 1231N 0.34 0.74 0.01 1.67 -0.12 -0.25 -1.09 117.98 119.28 2qom s PHE 1231Ca -0.03 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.21 2qom s PHE 1231Cb -0.07 -0.44 -0.01 0.00 -0.63 0.00 0.00 43.02 41.88 2qom s PHE 1231CO -0.01 -0.11 -0.02 0.16 -0.05 0.00 0.00 175.22 175.20 2qom s ASP 1232N -2.06 0.21 -0.23 1.98 1.47 -1.03 0.23 116.67 117.24 2qom s ASP 1232Ca -0.03 -0.16 0.02 0.00 1.18 0.00 0.00 52.55 53.56 2qom s ASP 1232Cb -0.05 0.01 0.05 0.00 -0.34 0.00 0.00 42.92 42.59 2qom s ASP 1232CO -0.01 -0.07 -0.13 -0.22 0.68 0.00 0.00 175.17 175.42 2qom s LEU 1233N -0.44 2.83 -0.75 2.11 2.96 0.18 -2.86 118.68 122.70 2qom s LEU 1233Ca -0.04 -1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 52.61 2qom s LEU 1233Cb -0.03 -1.45 0.14 0.00 0.50 0.00 0.00 46.19 45.34 2qom s LEU 1233CO -0.00 -0.13 0.84 -0.76 -1.32 0.00 0.00 176.35 174.98 2qom s LEU 1234N 1.22 5.64 -0.49 -0.68 1.43 0.11 0.10 118.68 126.01 2qom s LEU 1234Ca -0.04 -1.93 -0.27 0.00 -1.03 0.00 0.00 54.13 50.86 2qom s LEU 1234Cb -0.17 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.72 2qom s LEU 1234CO -0.08 -0.97 1.84 0.00 0.23 0.00 0.00 176.35 177.37 2qom s ALA 1235N 2.05 2.45 -1.03 4.21 0.00 -0.97 -3.77 121.76 124.70 2qom s ALA 1235Ca 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 2qom s ALA 1235Cb -0.15 -4.18 -0.06 0.00 0.00 0.00 0.00 23.12 18.74 2qom s ALA 1235CO -0.02 -3.37 0.90 0.09 0.00 0.00 0.00 175.76 173.35 2qom n ASN 1236N 11.77 -5.67 0.00 0.00 4.13 -1.26 -2.56 115.26 121.67 2qom n ASN 1236Ca 0.22 -0.67 0.00 0.00 1.68 0.00 0.00 54.58 55.81 2qom n ASN 1236Cb 0.50 -5.01 0.00 0.00 -1.54 0.00 0.00 39.78 33.73 2qom n ASN 1236CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qom n GLY 1237N -1.22 0.35 0.47 7.41 0.00 -1.25 -4.40 105.19 106.55 2qom n GLY 1237Ca -0.11 -1.10 0.32 0.00 0.00 0.00 0.00 46.02 45.13 2qom n GLY 1237CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qom h GLU 1238N 0.00 0.18 -0.04 1.61 4.39 -1.80 -2.97 114.58 115.96 2qom h GLU 1238Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2qom h GLU 1238Cb 0.00 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2qom h GLU 1238CO 0.00 0.12 0.00 -2.37 -1.16 0.00 0.00 179.01 175.60 2qom n THR 1239N -4.51 0.03 -3.57 1.13 5.66 -1.26 -4.57 114.28 107.18 2qom n THR 1239Ca 0.30 -0.27 -0.34 0.00 -3.05 0.00 0.00 64.05 60.69 2qom n THR 1239Cb 1.20 0.50 -0.05 0.00 -1.55 0.00 0.00 70.33 70.42 2qom n THR 1239CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2qom s VAL 1240N -1.97 5.08 0.08 1.08 1.01 -1.12 -4.43 120.40 120.13 2qom s VAL 1240Ca 0.37 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.72 2qom s VAL 1240Cb 0.21 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2qom s VAL 1240CO 0.33 0.23 0.30 -1.48 0.00 0.00 0.00 175.10 174.48 2qom s LEU 1241N -2.07 4.33 -0.37 3.92 2.34 -0.98 -5.01 118.68 120.84 2qom s LEU 1241Ca 0.35 0.51 -0.24 0.00 0.06 0.00 0.00 54.13 54.81 2qom s LEU 1241Cb -0.14 -3.01 0.01 0.00 -0.56 0.00 0.00 46.19 42.49 2qom s LEU 1241CO 0.19 0.15 0.81 -0.13 -1.06 0.00 0.00 176.35 176.31 2qom s ARG 1242N -2.31 3.77 0.00 1.48 0.52 -1.26 -4.74 118.95 116.40 2qom s ARG 1242Ca 0.35 0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 2qom s ARG 1242Cb -0.13 -3.81 0.00 0.00 0.52 0.00 0.00 34.95 31.53 2qom s ARG 1242CO 0.23 -0.87 0.00 -0.40 0.02 0.00 0.00 175.30 174.27 2qom n ASP 1243N 6.49 1.39 -0.21 0.23 5.68 -1.26 -5.01 116.55 123.86 2qom n ASP 1243Ca 0.04 -0.18 0.07 0.00 -0.50 0.00 0.00 54.79 54.22 2qom n ASP 1243Cb 0.48 0.00 0.35 0.00 -1.14 0.00 0.00 41.12 40.81 2qom n ASP 1243CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qom n ALA 1244N -3.00 2.55 0.02 2.12 0.00 -1.26 -4.22 120.51 116.71 2qom n ALA 1244Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.23 2qom n ALA 1244Cb 0.00 -1.15 0.43 0.00 0.00 0.00 0.00 19.45 18.73 2qom n ALA 1244CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qom h SER 1245N 0.77 0.44 0.00 0.00 4.64 -1.90 -3.41 113.55 114.09 2qom h SER 1245Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2qom h SER 1245Cb 0.17 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2qom h SER 1245CO 0.00 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 2qom n GLY 1246N -1.42 0.70 0.00 -0.77 0.00 -1.26 -5.01 105.19 97.43 2qom n GLY 1246Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2qom n GLY 1246CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qom n GLU 1247N -2.00 0.00 -2.95 1.61 -0.58 -1.26 -4.59 120.64 110.88 2qom n GLU 1247Ca 0.00 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.32 2qom n GLU 1247Cb 0.00 -0.67 -0.05 0.00 -0.57 0.00 0.00 31.44 30.15 2qom n GLU 1247CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2qom s LYS 1248N -0.36 3.77 0.00 3.49 2.20 -1.26 -4.88 119.74 122.70 2qom s LYS 1248Ca 0.00 0.35 0.13 0.00 -0.36 0.00 0.00 55.97 56.09 2qom s LYS 1248Cb 0.00 -3.80 0.10 0.00 -1.51 0.00 0.00 37.83 32.62 2qom s LYS 1248CO 0.00 -0.84 0.91 0.54 -0.36 0.00 0.00 175.35 175.60 2qom n ARG 1249N 6.42 0.80 -4.62 4.03 1.74 -1.26 -4.37 116.66 119.39 2qom n ARG 1249Ca 0.03 -1.27 -0.28 0.00 -0.77 0.00 0.00 57.85 55.56 2qom n ARG 1249Cb 0.48 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.58 2qom n ARG 1249CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2qom s ILE 1250N -1.07 1.52 -0.06 0.55 -4.36 -1.26 -4.73 121.20 111.80 2qom s ILE 1250Ca 0.15 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2qom s ILE 1250Cb 0.11 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.11 2qom s ILE 1250CO 0.16 0.00 -0.10 -1.59 0.24 0.00 0.00 174.94 173.65 2qom s LYS 1251N -3.79 2.62 0.00 0.37 -2.85 -1.26 -4.88 119.74 109.96 2qom s LYS 1251Ca 0.26 -0.62 0.00 0.00 -1.00 0.00 0.00 55.97 54.61 2qom s LYS 1251Cb 0.07 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.35 2qom s LYS 1251CO 0.13 0.64 0.00 0.41 0.10 0.00 0.00 175.35 176.63 2qom n GLY 1252N 2.22 -1.33 0.00 0.59 0.00 -1.26 -4.81 105.19 100.59 2qom n GLY 1252Ca -0.17 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2qom n GLY 1252CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qom n GLU 1253N 0.00 3.41 -4.52 1.61 1.02 -1.26 -4.37 120.64 116.53 2qom n GLU 1253Ca 0.00 -0.21 -0.21 0.00 -0.02 0.00 0.00 57.16 56.71 2qom n GLU 1253Cb 0.00 -0.71 -0.14 0.00 -0.02 0.00 0.00 31.44 30.57 2qom n GLU 1253CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2qom s LYS 1254N -0.55 1.04 0.08 3.49 1.02 -1.26 0.04 119.74 123.60 2qom s LYS 1254Ca 0.00 -0.59 -0.23 0.00 0.02 0.00 0.00 55.97 55.17 2qom s LYS 1254Cb 0.00 -1.02 0.06 0.00 -0.52 0.00 0.00 37.83 36.35 2qom s LYS 1254CO 0.00 0.27 0.56 0.34 -0.92 0.00 0.00 175.35 175.61 2qom s ASP 1255N -0.62 -0.50 -0.09 2.83 2.15 -1.13 -4.99 116.67 114.30 2qom s ASP 1255Ca 0.04 0.16 -0.05 0.00 0.43 0.00 0.00 52.55 53.13 2qom s ASP 1255Cb -0.06 0.54 0.04 0.00 -0.30 0.00 0.00 42.92 43.13 2qom s ASP 1255CO 0.00 -0.80 0.22 -0.44 -0.17 0.00 0.00 175.17 173.98 2qom s SER 1256N -2.20 -0.23 0.14 -0.34 0.01 -1.26 -2.46 113.70 107.37 2qom s SER 1256Ca -0.03 0.47 0.08 0.00 1.31 0.00 0.00 55.95 57.78 2qom s SER 1256Cb -0.00 0.38 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 2qom s SER 1256CO -0.05 -0.14 -0.18 -0.13 0.41 0.00 0.00 173.24 173.14 2qom s ARG 1257N 1.00 1.21 -0.16 12.44 0.52 -0.25 -3.65 118.95 130.06 2qom s ARG 1257Ca -0.07 -1.33 -0.12 0.00 -0.52 0.00 0.00 55.73 53.69 2qom s ARG 1257Cb -0.09 -1.30 -0.05 0.00 0.52 0.00 0.00 34.95 34.03 2qom s ARG 1257CO -0.06 0.27 0.22 1.41 0.02 0.00 0.00 175.30 177.17 2qom s MET 1258N -2.55 4.10 -0.16 3.54 -2.45 0.21 -1.63 119.30 120.36 2qom s MET 1258Ca 0.13 -0.02 -0.08 0.00 -1.25 0.00 0.00 55.69 54.47 2qom s MET 1258Cb -0.07 -3.38 -0.04 0.00 1.25 0.00 0.00 34.83 32.59 2qom s MET 1258CO 0.06 0.36 0.11 -0.51 1.05 0.00 0.00 175.02 176.09 2qom s LEU 1259N 0.14 4.16 -0.03 4.11 1.43 0.86 -1.35 118.68 128.00 2qom s LEU 1259Ca 0.14 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 2qom s LEU 1259Cb -0.12 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 2qom s LEU 1259CO 0.02 0.29 -0.15 -0.04 0.23 0.00 0.00 176.35 176.70 2qom s MET 1260N -0.29 1.41 0.05 1.70 -1.94 -0.80 -1.79 119.30 117.65 2qom s MET 1260Ca 0.10 -0.52 -0.11 0.00 -1.71 0.00 0.00 55.69 53.46 2qom s MET 1260Cb -0.12 -1.28 0.01 0.00 2.01 0.00 0.00 34.83 35.45 2qom s MET 1260CO 0.01 0.24 0.23 -1.54 -0.01 0.00 0.00 175.02 173.96 2qom s SER 1261N -0.06 -0.01 -0.14 3.03 1.04 -0.59 -2.17 113.70 114.81 2qom s SER 1261Ca -0.00 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 2qom s SER 1261Cb -0.09 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.40 2qom s SER 1261CO 0.01 -0.62 0.36 -0.69 0.98 0.00 0.00 173.24 173.27 2qom s VAL 1262N -2.87 -0.02 0.05 5.02 1.01 -0.55 -1.49 120.40 121.55 2qom s VAL 1262Ca -0.03 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 2qom s VAL 1262Cb 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.91 2qom s VAL 1262CO -0.05 0.02 0.62 0.61 0.00 0.00 0.00 175.10 176.29 2qom n GLY 1263N 3.61 0.70 3.27 4.51 0.00 0.33 -0.40 105.19 117.21 2qom n GLY 1263Ca -0.19 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 2qom n GLY 1263CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qom s LEU 1264N 0.00 2.35 -0.27 0.99 1.43 -1.26 -0.06 118.68 121.86 2qom s LEU 1264Ca 0.14 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.53 2qom s LEU 1264Cb -0.01 -0.76 0.07 0.00 0.03 0.00 0.00 46.19 45.52 2qom s LEU 1264CO 0.02 -0.02 -0.06 0.20 0.23 0.00 0.00 176.35 176.71 2qom s ASN 1265N -2.15 4.35 0.43 2.29 -0.87 -0.42 -2.31 114.94 116.27 2qom s ASN 1265Ca 0.08 -1.48 -0.05 0.00 -1.57 0.00 0.00 52.86 49.83 2qom s ASN 1265Cb -0.08 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.25 39.65 2qom s ASN 1265CO 0.04 -0.24 0.73 0.00 -2.57 0.00 0.00 177.10 175.06 2qom s ALA 1266N 1.15 3.45 -0.20 0.60 0.00 0.10 -0.79 121.76 126.08 2qom s ALA 1266Ca -0.04 -0.52 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 2qom s ALA 1266Cb -0.19 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.51 2qom s ALA 1266CO -0.06 -0.20 0.37 -2.00 0.00 0.00 0.00 175.76 173.87 2qom s GLU 1267N -4.44 0.29 -0.18 0.00 2.12 0.80 -2.92 118.70 114.37 2qom s GLU 1267Ca 0.47 0.81 0.01 0.00 0.36 0.00 0.00 54.97 56.62 2qom s GLU 1267Cb -0.10 -0.02 0.03 0.00 0.26 0.00 0.00 34.13 34.30 2qom s GLU 1267CO 0.40 -0.39 -0.17 0.42 -0.54 0.00 0.00 175.26 174.99 2qom s ILE 1268N 2.55 1.92 0.00 -3.70 1.01 -0.05 -0.32 121.20 122.62 2qom s ILE 1268Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.75 2qom s ILE 1268Cb -0.13 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.54 2qom s ILE 1268CO -0.13 0.44 0.00 0.54 0.00 0.00 0.00 174.94 175.79 2qom n ARG 1269N 4.64 0.00 -0.03 2.79 1.74 -1.26 -3.32 116.66 121.22 2qom n ARG 1269Ca -0.19 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.85 2qom n ARG 1269Cb 0.49 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.91 2qom n ARG 1269CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qom n ASP 1270N 4.58 3.41 -0.09 0.55 2.03 -1.26 -4.85 116.55 120.92 2qom n ASP 1270Ca 0.00 -0.02 -0.23 0.00 0.52 0.00 0.00 54.79 55.05 2qom n ASP 1270Cb 0.00 -0.09 -0.12 0.00 -0.72 0.00 0.00 41.12 40.19 2qom n ASP 1270CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2qom n ASN 1271N -2.69 1.97 -4.75 1.67 4.13 -1.26 -4.87 115.26 109.47 2qom n ASN 1271Ca -0.09 0.26 -0.38 0.00 1.68 0.00 0.00 54.58 56.04 2qom n ASN 1271Cb 0.60 -0.81 -0.06 0.00 -1.54 0.00 0.00 39.78 37.97 2qom n ASN 1271CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2qom s VAL 1272N -2.47 5.12 0.15 2.41 1.01 -1.21 -1.11 120.40 124.29 2qom s VAL 1272Ca -0.31 0.95 0.03 0.00 0.00 0.00 0.00 61.98 62.65 2qom s VAL 1272Cb 0.09 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2qom s VAL 1272CO 0.61 0.39 -0.05 -0.13 0.00 0.00 0.00 175.10 175.92 2qom s ARG 1273N 0.16 1.03 0.03 2.72 0.52 -0.42 -0.87 118.95 122.12 2qom s ARG 1273Ca 0.26 -1.46 -0.26 0.00 -0.52 0.00 0.00 55.73 53.75 2qom s ARG 1273Cb -0.16 -0.40 0.06 0.00 0.52 0.00 0.00 34.95 34.98 2qom s ARG 1273CO 0.12 -0.02 0.60 -0.59 0.02 0.00 0.00 175.30 175.42 2qom s PHE 1274N -3.52 -0.54 -0.11 -0.53 -0.12 -1.15 -0.91 117.98 111.10 2qom s PHE 1274Ca 0.18 0.70 -0.05 0.00 -0.05 0.00 0.00 56.93 57.71 2qom s PHE 1274Cb 0.05 0.41 0.05 0.00 -0.63 0.00 0.00 43.02 42.90 2qom s PHE 1274CO 0.01 -0.67 0.26 0.20 -0.05 0.00 0.00 175.22 174.97 2qom s GLY 1275N -1.80 -0.15 -0.07 1.99 0.00 -1.24 0.03 107.32 106.08 2qom s GLY 1275Ca -0.07 1.02 0.03 0.00 0.00 0.00 0.00 44.72 45.70 2qom s GLY 1275CO 0.01 1.45 -0.14 -2.27 0.00 0.00 0.00 173.10 172.15 2qom s LEU 1276N 1.55 2.73 -0.00 0.66 2.96 -0.98 -0.27 118.68 125.32 2qom s LEU 1276Ca -0.07 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.64 2qom s LEU 1276Cb -0.11 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 2qom s LEU 1276CO -0.09 0.29 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.51 2qom s GLU 1277N -0.42 0.91 -0.15 1.98 0.41 0.12 -5.67 118.70 115.88 2qom s GLU 1277Ca 0.05 -0.45 0.01 0.00 -0.41 0.00 0.00 54.97 54.17 2qom s GLU 1277Cb -0.12 -0.88 0.00 0.00 -1.78 0.00 0.00 34.13 31.35 2qom s GLU 1277CO 0.02 0.24 -0.18 -0.06 -0.49 0.00 0.00 175.26 174.79 2qom s PHE 1278N -0.35 2.74 0.34 1.61 0.08 0.46 -1.20 117.98 121.67 2qom s PHE 1278Ca 0.04 -1.20 0.06 0.00 0.12 0.00 0.00 56.93 55.94 2qom s PHE 1278Cb -0.05 -1.87 -0.07 0.00 -0.57 0.00 0.00 43.02 40.47 2qom s PHE 1278CO -0.00 -0.56 -0.00 -1.21 -0.10 0.00 0.00 175.22 173.35 2qom s GLU 1279N 0.87 1.74 -0.08 0.44 2.02 -0.63 -1.48 118.70 121.58 2qom s GLU 1279Ca -0.05 -1.94 -0.31 0.00 0.02 0.00 0.00 54.97 52.69 2qom s GLU 1279Cb -0.15 -1.26 0.12 0.00 0.10 0.00 0.00 34.13 32.93 2qom s GLU 1279CO -0.02 -0.05 1.00 0.21 0.02 0.00 0.00 175.26 176.42 2qom s LYS 1280N -3.77 0.63 0.20 1.61 2.20 -0.92 -2.57 119.74 117.12 2qom s LYS 1280Ca 0.34 -0.20 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 2qom s LYS 1280Cb 0.07 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 2qom s LYS 1280CO 0.15 -0.27 0.13 -1.54 -0.36 0.00 0.00 175.35 173.46 2qom s SER 1281N -2.24 0.19 0.04 1.43 1.04 0.11 -1.90 113.70 112.36 2qom s SER 1281Ca 0.06 -1.39 -0.09 0.00 0.48 0.00 0.00 55.95 55.01 2qom s SER 1281Cb -0.01 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2qom s SER 1281CO -0.07 -0.84 0.18 0.00 0.98 0.00 0.00 173.24 173.50 2qom s ALA 1282N -4.15 -0.34 0.00 5.32 0.00 -0.45 -4.57 121.76 117.57 2qom s ALA 1282Ca 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2qom s ALA 1282Cb 0.07 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2qom s ALA 1282CO 0.12 -0.35 0.00 1.19 0.00 0.00 0.00 175.76 176.72 2qom n PHE 1283N 0.74 0.00 -2.70 0.00 3.72 -1.26 -0.62 117.46 117.33 2qom n PHE 1283Ca -0.19 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 56.98 2qom n PHE 1283Cb 0.59 -1.08 0.03 0.00 -0.94 0.00 0.00 39.48 38.08 2qom n PHE 1283CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2qom s GLY 1284N -2.00 1.68 0.07 1.37 0.00 -1.24 -4.75 107.32 102.45 2qom s GLY 1284Ca 0.00 -1.10 -0.15 0.00 0.00 0.00 0.00 44.72 43.47 2qom s GLY 1284CO 0.00 -0.85 1.25 0.50 0.00 0.00 0.00 173.10 174.00 2qom h LYS 1285N 0.10 0.66 -5.38 2.90 1.57 -1.93 -3.42 116.57 111.08 2qom h LYS 1285Ca -0.44 -0.57 -0.64 0.00 -1.87 0.00 0.00 60.65 57.13 2qom h LYS 1285Cb 1.28 0.13 -0.21 0.00 0.08 0.00 0.00 32.23 33.50 2qom h LYS 1285CO 0.56 1.18 -0.66 -0.47 -0.57 0.00 0.00 179.45 179.49 2qom s TYR 1286N -3.63 3.03 -0.03 -1.35 5.04 -1.26 -3.72 117.35 115.43 2qom s TYR 1286Ca -0.11 -0.24 0.04 0.00 -2.44 0.00 0.00 57.07 54.31 2qom s TYR 1286Cb 0.07 -1.94 -0.00 0.00 0.35 0.00 0.00 41.96 40.44 2qom s TYR 1286CO 0.87 0.02 -0.13 -0.80 -1.34 0.00 0.00 175.55 174.17 2qom s ASN 1287N 0.23 1.70 -0.21 4.32 -0.87 -0.71 -4.88 114.94 114.52 2qom s ASN 1287Ca -0.02 -0.27 -0.29 0.00 -1.57 0.00 0.00 52.86 50.71 2qom s ASN 1287Cb -0.14 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.25 40.65 2qom s ASN 1287CO 0.03 0.12 1.44 -0.69 -2.57 0.00 0.00 177.10 175.43 2qom s VAL 1288N 0.05 3.96 -0.06 1.60 1.01 -1.26 -1.02 120.40 124.67 2qom s VAL 1288Ca -0.02 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.15 2qom s VAL 1288Cb -0.09 -3.89 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 2qom s VAL 1288CO 0.01 -0.29 0.59 0.47 0.00 0.00 0.00 175.10 175.88 2qom n ASP 1289N 7.61 1.16 -3.78 3.32 8.00 -0.03 -0.71 116.55 132.11 2qom n ASP 1289Ca 0.16 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.90 2qom n ASP 1289Cb 0.45 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 41.22 2qom n ASP 1289CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2qom s ASN 1290N -6.31 -0.19 -0.28 -2.24 0.01 -0.87 -4.83 114.94 100.24 2qom s ASN 1290Ca -0.09 0.16 -0.21 0.00 -0.71 0.00 0.00 52.86 52.02 2qom s ASN 1290Cb 0.08 0.37 0.08 0.00 0.41 0.00 0.00 41.25 42.19 2qom s ASN 1290CO 0.81 -0.36 0.74 0.00 -1.51 0.00 0.00 177.10 176.79 2qom s ALA 1291N -0.99 -1.87 -0.01 0.60 0.00 -1.06 -0.67 121.76 117.76 2qom s ALA 1291Ca -0.11 2.21 0.08 0.00 0.00 0.00 0.00 51.96 54.13 2qom s ALA 1291Cb -0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 2qom s ALA 1291CO 0.03 -0.35 -0.24 0.08 0.00 0.00 0.00 175.76 175.28 2qom s VAL 1292N 0.98 2.30 -0.07 0.00 1.01 0.83 -1.60 120.40 123.84 2qom s VAL 1292Ca -0.05 -1.12 -0.00 0.00 0.00 0.00 0.00 61.98 60.81 2qom s VAL 1292Cb -0.05 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2qom s VAL 1292CO -0.10 0.51 -0.03 0.21 0.00 0.00 0.00 175.10 175.69 2qom s ASN 1293N -0.84 1.48 -0.09 3.32 3.04 -0.34 -1.47 114.94 120.04 2qom s ASN 1293Ca 0.11 -0.15 0.01 0.00 0.04 0.00 0.00 52.86 52.87 2qom s ASN 1293Cb -0.10 -0.53 -0.02 0.00 -1.54 0.00 0.00 41.25 39.05 2qom s ASN 1293CO 0.00 -0.12 -0.11 0.00 -3.04 0.00 0.00 177.10 173.83 2qom s ALA 1294N 1.50 2.76 0.49 1.71 0.00 -0.29 0.16 121.76 128.08 2qom s ALA 1294Ca -0.01 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.08 2qom s ALA 1294Cb -0.13 -1.18 0.02 0.00 0.00 0.00 0.00 23.12 21.83 2qom s ALA 1294CO -0.04 0.41 0.67 -0.80 0.00 0.00 0.00 175.76 176.01 2qom s ASN 1295N -0.24 5.46 -0.27 0.00 0.02 0.63 -1.62 114.94 118.92 2qom s ASN 1295Ca 0.02 -0.23 -0.11 0.00 -1.02 0.00 0.00 52.86 51.52 2qom s ASN 1295Cb -0.13 -0.74 0.11 0.00 0.02 0.00 0.00 41.25 40.51 2qom s ASN 1295CO 0.03 -0.96 0.61 0.12 0.02 0.00 0.00 177.10 176.92 2qom s PHE 1296N -2.56 -1.15 -0.16 2.20 5.36 -0.30 -3.69 117.98 117.68 2qom s PHE 1296Ca 0.56 2.10 0.00 0.00 -0.96 0.00 0.00 56.93 58.63 2qom s PHE 1296Cb -0.10 0.66 0.03 0.00 -0.34 0.00 0.00 43.02 43.27 2qom s PHE 1296CO 0.36 -0.59 -0.11 0.50 -1.46 0.00 0.00 175.22 173.92 2qom s ARG 1297N 2.46 2.00 -0.54 10.12 3.52 -0.09 -1.88 118.95 134.54 2qom s ARG 1297Ca -0.06 -0.61 -0.18 0.00 -0.13 0.00 0.00 55.73 54.74 2qom s ARG 1297Cb -0.10 -2.13 0.09 0.00 -1.56 0.00 0.00 34.95 31.24 2qom s ARG 1297CO -0.18 -0.33 0.60 -0.47 -0.81 0.00 0.00 175.30 174.11 2qom s TYR 1298N 1.50 3.09 -0.18 5.12 5.04 -0.66 -1.29 117.35 129.97 2qom s TYR 1298Ca 0.02 -0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 53.68 2qom s TYR 1298Cb -0.14 -3.72 -0.05 0.00 0.35 0.00 0.00 41.96 38.41 2qom s TYR 1298CO -0.09 -1.10 0.12 -1.12 -1.34 0.00 0.00 175.55 172.02 2qom s SER 1299N 3.20 6.19 0.19 4.32 0.01 -0.27 -1.81 113.70 125.54 2qom s SER 1299Ca 0.10 0.28 -0.09 0.00 1.31 0.00 0.00 55.95 57.55 2qom s SER 1299Cb -0.24 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2qom s SER 1299CO 0.07 0.24 0.33 0.72 0.41 0.00 0.00 173.24 175.01 2qom s PHE 1300N -0.03 0.46 0.00 2.43 -0.71 -1.09 -4.29 117.98 114.74 2qom s PHE 1300Ca 0.10 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 55.18 2qom s PHE 1300Cb -0.11 -0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.66 2qom s PHE 1300CO -0.00 -0.79 0.00 0.41 -1.34 0.00 0.00 175.22 173.50