#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kmx s PHE 1048N 0.00 3.05 0.35 0.66 0.40 -0.86 -4.70 117.98 116.89 2kmx s PHE 1048Ca 0.00 1.24 0.00 0.00 -0.60 0.00 0.00 56.93 57.57 2kmx s PHE 1048Cb 0.00 -3.73 0.00 0.00 0.51 0.00 0.00 43.02 39.80 2kmx s PHE 1048CO 0.00 -2.20 0.00 2.41 0.70 0.00 0.00 175.22 176.13 2kmx n THR 1049N 1.61 0.00 0.02 0.64 -1.04 -1.00 -4.24 114.28 110.26 2kmx n THR 1049Ca 0.03 0.16 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 2kmx n THR 1049Cb 0.41 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 2kmx n THR 1049CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 2kmx n MET 1050N -3.94 0.00 0.05 -2.82 1.56 -1.26 -4.94 117.12 105.77 2kmx n MET 1050Ca -0.01 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.27 2kmx n MET 1050Cb 0.66 -0.10 -0.14 0.00 2.15 0.00 0.00 33.22 35.79 2kmx n MET 1050CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2kmx h HIS 1051N 0.00 0.36 -2.12 1.12 3.86 -2.01 -3.46 115.15 112.90 2kmx h HIS 1051Ca 0.00 -0.26 -0.60 0.00 -1.16 0.00 0.00 60.37 58.34 2kmx h HIS 1051Cb 0.17 -0.01 0.03 0.00 1.06 0.00 0.00 27.41 28.66 2kmx h HIS 1051CO 0.00 1.33 1.03 0.41 0.86 0.00 0.00 177.93 181.56 2kmx n GLY 1052N 1.64 1.40 3.21 2.45 0.00 -1.26 -4.98 105.19 107.66 2kmx n GLY 1052Ca -0.16 0.80 -0.34 0.00 0.00 0.00 0.00 46.02 46.32 2kmx n GLY 1052CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kmx s THR 1053N 3.26 2.86 0.49 2.61 2.01 -1.26 -5.00 115.64 120.61 2kmx s THR 1053Ca 0.89 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 2kmx s THR 1053Cb -0.67 -2.38 -0.07 0.00 0.01 0.00 0.00 72.50 69.38 2kmx s THR 1053CO 0.47 0.30 0.93 -2.16 -0.69 0.00 0.00 174.62 173.48 2kmx s PRO 1054N 1.35 3.89 -0.23 4.92 0.04 -1.26 -2.88 135.00 140.84 2kmx s PRO 1054Ca 0.02 0.82 -0.04 0.00 0.04 0.00 0.00 61.00 61.85 2kmx s PRO 1054Cb -0.16 -2.20 0.09 0.00 0.04 0.00 0.00 34.50 32.28 2kmx s PRO 1054CO -0.06 -0.22 0.16 0.08 0.04 0.00 0.00 177.00 177.00 2kmx s VAL 1055N -2.58 -0.18 0.06 -0.36 1.01 -1.26 -4.75 120.40 112.34 2kmx s VAL 1055Ca 0.57 -0.36 -0.31 0.00 0.00 0.00 0.00 61.98 61.88 2kmx s VAL 1055Cb -0.10 -0.77 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 2kmx s VAL 1055CO 0.32 -0.41 1.30 0.54 0.00 0.00 0.00 175.10 176.85 2kmx s VAL 1056N 2.20 3.74 -0.24 2.92 0.11 -1.26 -0.60 120.40 127.27 2kmx s VAL 1056Ca 0.06 1.22 -0.09 0.00 -2.93 0.00 0.00 61.98 60.24 2kmx s VAL 1056Cb -0.16 -3.78 -0.11 0.00 -1.53 0.00 0.00 36.38 30.80 2kmx s VAL 1056CO -0.21 0.07 -0.29 -3.20 -3.33 0.00 0.00 175.10 168.15 2kmx n ASN 1057N 4.23 1.81 -3.68 3.54 2.85 0.00 -4.87 115.26 119.15 2kmx n ASN 1057Ca 0.11 0.21 -0.15 0.00 -0.11 0.00 0.00 54.58 54.64 2kmx n ASN 1057Cb 0.44 -0.64 -0.08 0.00 1.24 0.00 0.00 39.78 40.74 2kmx n ASN 1057CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2kmx s GLN 1058N -2.44 0.75 -0.11 1.20 0.74 -0.89 -4.99 119.66 113.92 2kmx s GLN 1058Ca -0.33 0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.32 2kmx s GLN 1058Cb 0.12 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.58 2kmx s GLN 1058CO 0.44 -0.19 -0.23 0.14 -0.55 0.00 0.00 175.29 174.90 2kmx s VAL 1059N -0.80 2.04 0.02 1.34 -7.23 -1.26 -0.76 120.40 113.75 2kmx s VAL 1059Ca -0.09 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 2kmx s VAL 1059Cb -0.03 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 2kmx s VAL 1059CO 0.05 0.55 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.56 2kmx s LYS 1060N 0.45 0.62 0.13 4.82 2.20 -0.20 -5.03 119.74 122.75 2kmx s LYS 1060Ca -0.16 -0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 54.79 2kmx s LYS 1060Cb -0.17 -0.55 -0.07 0.00 -1.51 0.00 0.00 37.83 35.53 2kmx s LYS 1060CO 0.06 0.14 0.55 0.08 -0.36 0.00 0.00 175.35 175.81 2kmx s VAL 1061N -0.69 4.85 -0.02 4.02 1.01 -1.26 -0.99 120.40 127.33 2kmx s VAL 1061Ca -0.01 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.85 2kmx s VAL 1061Cb -0.06 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2kmx s VAL 1061CO 0.00 0.28 0.01 -0.11 0.00 0.00 0.00 175.10 175.29 2kmx n LEU 1062N 0.92 0.00 -3.99 3.92 7.94 0.06 -4.89 117.00 120.97 2kmx n LEU 1062Ca -0.06 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.57 2kmx n LEU 1062Cb 0.52 0.05 -0.17 0.00 0.53 0.00 0.00 43.42 44.35 2kmx n LEU 1062CO 0.42 0.05 -0.47 -0.89 -1.11 0.00 0.00 177.39 175.39 2kmx s THR 1063N -2.06 1.24 0.02 1.96 2.01 -0.72 -4.97 115.64 113.13 2kmx s THR 1063Ca -0.01 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.59 2kmx s THR 1063Cb 0.01 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2kmx s THR 1063CO 0.09 0.40 -0.19 -0.70 -0.69 0.00 0.00 174.62 173.52 2kmx s GLU 1064N 1.24 1.38 0.00 4.92 2.12 -1.25 -4.50 118.70 122.61 2kmx s GLU 1064Ca -0.03 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.47 2kmx s GLU 1064Cb -0.14 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.82 2kmx s GLU 1064CO -0.04 0.37 0.00 0.43 -0.54 0.00 0.00 175.26 175.48 2kmx n SER 1065N 2.11 0.00 0.02 -1.70 7.64 -0.69 -4.68 113.62 116.31 2kmx n SER 1065Ca -0.16 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.85 2kmx n SER 1065Cb 0.54 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.23 2kmx n SER 1065CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kmx n ASN 1066N 0.19 0.24 0.00 6.43 5.03 -1.26 -4.62 115.26 121.27 2kmx n ASN 1066Ca 0.00 0.33 0.00 0.00 0.87 0.00 0.00 54.58 55.78 2kmx n ASN 1066Cb 0.00 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 38.42 2kmx n ASN 1066CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2kmx n ARG 1067N -1.62 0.00 -4.07 3.52 3.00 -1.26 -5.16 116.66 111.07 2kmx n ARG 1067Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.81 2kmx n ARG 1067Cb 0.35 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.73 2kmx n ARG 1067CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2kmx s ILE 1068N -1.00 0.04 0.10 5.15 -1.09 -1.26 -5.14 121.20 117.99 2kmx s ILE 1068Ca 0.00 -1.67 -0.05 0.00 -2.23 0.00 0.00 60.65 56.70 2kmx s ILE 1068Cb 0.00 -2.16 -0.02 0.00 -1.58 0.00 0.00 42.46 38.69 2kmx s ILE 1068CO 0.00 -0.16 0.12 -0.44 -1.23 0.00 0.00 174.94 173.22 2kmx s SER 1069N -3.05 0.25 0.25 3.58 0.01 -1.26 -1.70 113.70 111.78 2kmx s SER 1069Ca 0.26 -0.89 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 2kmx s SER 1069Cb 0.04 0.31 0.35 0.00 0.21 0.00 0.00 66.02 66.93 2kmx s SER 1069CO 0.06 -0.72 1.58 -0.74 0.41 0.00 0.00 173.24 173.83 2kmx h HIS 1070N 2.86 -0.57 -0.72 2.43 2.76 -1.97 -0.32 115.15 119.61 2kmx h HIS 1070Ca -0.34 0.08 -0.03 0.00 -2.20 0.00 0.00 60.37 57.88 2kmx h HIS 1070Cb 1.19 0.39 -0.03 0.00 1.55 0.00 0.00 27.41 30.50 2kmx h HIS 1070CO 0.45 -0.38 0.33 0.45 -1.30 0.00 0.00 177.93 177.48 2kmx h HIS 1071N -0.01 1.03 -0.10 5.26 3.86 -2.00 -1.43 115.15 121.77 2kmx h HIS 1071Ca 0.40 -0.05 -0.24 0.00 -1.16 0.00 0.00 60.37 59.32 2kmx h HIS 1071Cb 0.63 -0.32 0.01 0.00 1.06 0.00 0.00 27.41 28.80 2kmx h HIS 1071CO -0.71 0.76 -0.87 0.87 0.86 0.00 0.00 177.93 178.84 2kmx h LYS 1072N 1.02 0.75 0.07 2.45 1.57 -1.54 -2.87 116.57 118.01 2kmx h LYS 1072Ca 0.25 -0.68 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 2kmx h LYS 1072Cb 0.13 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2kmx h LYS 1072CO -0.03 1.27 -0.12 0.82 -0.57 0.00 0.00 179.45 180.82 2kmx h ILE 1073N 0.48 0.71 -0.06 1.86 2.04 -0.83 -0.89 117.51 120.82 2kmx h ILE 1073Ca -0.08 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 2kmx h ILE 1073Cb 1.51 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2kmx h ILE 1073CO 0.18 0.00 -0.36 0.17 0.00 0.00 0.00 178.15 178.14 2kmx h LEU 1074N -0.24 0.13 0.03 1.44 8.10 -1.37 -2.16 115.31 121.23 2kmx h LEU 1074Ca 0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 2kmx h LEU 1074Cb 0.26 -0.03 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 2kmx h LEU 1074CO -0.08 0.48 -0.01 0.00 -4.11 0.00 0.00 178.44 174.72 2kmx h ALA 1075N 1.53 -0.03 -0.26 0.17 0.00 -1.25 -1.71 119.26 117.71 2kmx h ALA 1075Ca 0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2kmx h ALA 1075Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2kmx h ALA 1075CO 0.05 -0.35 -0.37 -0.84 0.00 0.00 0.00 179.25 177.74 2kmx h ILE 1076N -0.37 1.29 -0.18 0.00 3.07 -1.06 -0.82 117.51 119.44 2kmx h ILE 1076Ca -0.00 -1.51 -0.12 0.00 1.55 0.00 0.00 64.86 64.78 2kmx h ILE 1076Cb 0.35 1.50 0.00 0.00 -0.27 0.00 0.00 36.82 38.39 2kmx h ILE 1076CO 0.01 0.48 -0.34 0.58 -1.05 0.00 0.00 178.15 177.83 2kmx h VAL 1077N 0.49 1.34 -0.20 0.16 2.07 -1.48 -2.04 116.25 116.58 2kmx h VAL 1077Ca 0.05 -1.57 -0.11 0.00 0.82 0.00 0.00 66.70 65.89 2kmx h VAL 1077Cb 0.86 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2kmx h VAL 1077CO 0.07 0.48 -0.35 1.23 0.02 0.00 0.00 177.57 179.02 2kmx h GLY 1078N 0.22 0.47 0.94 2.17 0.00 -1.22 -1.55 103.07 104.10 2kmx h GLY 1078Ca 0.01 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 2kmx h GLY 1078CO 0.08 0.39 -0.15 -0.91 0.00 0.00 0.00 176.54 175.95 2kmx h THR 1079N 0.37 1.29 -0.21 4.70 1.35 -1.21 -2.02 112.91 117.18 2kmx h THR 1079Ca 0.04 -1.25 0.03 0.00 -0.55 0.00 0.00 66.41 64.68 2kmx h THR 1079Cb 0.79 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.58 2kmx h THR 1079CO 0.06 0.41 0.01 0.00 -0.25 0.00 0.00 175.52 175.75 2kmx h ALA 1080N 0.78 0.20 0.00 6.62 0.00 -1.16 -2.19 119.26 123.50 2kmx h ALA 1080Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2kmx h ALA 1080Cb 0.68 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kmx h ALA 1080CO 0.05 -0.41 0.00 0.93 0.00 0.00 0.00 179.25 179.81 2kmx h GLU 1081N 0.09 0.00 0.00 0.00 4.39 -1.31 -0.10 114.58 117.64 2kmx h GLU 1081Ca 0.10 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.69 2kmx h GLU 1081Cb 0.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2kmx h GLU 1081CO -0.16 0.00 -0.53 0.66 -1.16 0.00 0.00 179.01 177.83 2kmx h SER 1082N 0.00 0.00 0.77 1.42 4.64 -0.74 -3.23 113.55 116.41 2kmx h SER 1082Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2kmx h SER 1082Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 2kmx h SER 1082CO 0.00 0.53 -1.29 0.59 -0.87 0.00 0.00 176.83 175.79 2kmx n ASN 1083N -3.70 0.77 -4.45 4.97 4.13 -0.76 -4.99 115.26 111.23 2kmx n ASN 1083Ca -0.01 0.32 -0.29 0.00 1.68 0.00 0.00 54.58 56.27 2kmx n ASN 1083Cb 0.58 0.46 0.16 0.00 -1.54 0.00 0.00 39.78 39.44 2kmx n ASN 1083CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2kmx s SER 1084N -5.47 3.13 -0.03 6.41 0.15 -0.12 -4.94 113.70 112.82 2kmx s SER 1084Ca -0.02 0.67 0.05 0.00 0.70 0.00 0.00 55.95 57.35 2kmx s SER 1084Cb 0.09 -1.02 0.07 0.00 -1.71 0.00 0.00 66.02 63.45 2kmx s SER 1084CO 0.81 -2.76 0.91 -0.62 1.20 0.00 0.00 173.24 172.78 2kmx n GLU 1085N -3.86 1.02 -1.17 5.44 1.02 -1.26 -4.98 120.64 116.86 2kmx n GLU 1085Ca 0.10 -1.38 -0.29 0.00 -0.02 0.00 0.00 57.16 55.57 2kmx n GLU 1085Cb 0.60 -0.86 0.15 0.00 -0.02 0.00 0.00 31.44 31.30 2kmx n GLU 1085CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kmx s HIS 1086N -0.94 2.23 -0.16 -0.32 3.76 -1.26 -2.02 115.29 116.58 2kmx s HIS 1086Ca 0.08 1.21 0.18 0.00 -0.15 0.00 0.00 55.06 56.38 2kmx s HIS 1086Cb 0.07 -3.18 -0.08 0.00 1.11 0.00 0.00 32.58 30.50 2kmx s HIS 1086CO 0.01 -2.54 0.93 -1.00 -0.85 0.00 0.00 174.74 171.28 2kmx h PRO 1087N -1.65 0.00 0.00 8.40 0.13 -1.95 -3.42 132.00 133.51 2kmx h PRO 1087Ca -0.51 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.43 2kmx h PRO 1087Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2kmx h PRO 1087CO 0.55 0.21 -1.64 -0.11 -0.23 0.00 0.00 178.00 176.78 2kmx n LEU 1088N -2.84 1.08 0.32 1.56 0.00 -1.26 -4.53 117.00 111.32 2kmx n LEU 1088Ca -0.06 0.12 0.20 0.00 0.00 0.00 0.00 56.01 56.26 2kmx n LEU 1088Cb 0.74 -0.34 1.07 0.00 0.00 0.00 0.00 43.42 44.89 2kmx n LEU 1088CO 0.42 0.29 1.17 1.23 0.00 0.00 0.00 177.39 180.50 2kmx h GLY 1089N -0.26 0.00 2.00 -3.96 0.00 -1.99 -2.65 103.07 96.21 2kmx h GLY 1089Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2kmx h GLY 1089CO -0.16 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.08 2kmx n THR 1090N -3.23 0.95 -0.06 4.70 -2.24 -1.26 -0.84 114.28 112.29 2kmx n THR 1090Ca -0.02 0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 62.10 2kmx n THR 1090Cb 0.15 -1.32 0.18 0.00 -2.10 0.00 0.00 70.33 67.24 2kmx n THR 1090CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kmx h ALA 1091N 2.20 1.12 -0.16 6.98 0.00 -1.81 -2.53 119.26 125.06 2kmx h ALA 1091Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 2kmx h ALA 1091Cb 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2kmx h ALA 1091CO 0.00 0.55 -0.62 0.82 0.00 0.00 0.00 179.25 180.01 2kmx h ILE 1092N 0.63 1.33 -0.39 0.00 2.04 -1.21 -2.22 117.51 117.69 2kmx h ILE 1092Ca 0.12 -1.90 0.06 0.00 1.00 0.00 0.00 64.86 64.14 2kmx h ILE 1092Cb 0.51 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2kmx h ILE 1092CO 0.03 0.59 0.06 0.74 0.00 0.00 0.00 178.15 179.56 2kmx h THR 1093N 0.40 0.77 -0.12 -0.27 2.02 -1.32 0.30 112.91 114.70 2kmx h THR 1093Ca -0.01 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.12 2kmx h THR 1093Cb 1.18 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2kmx h THR 1093CO 0.11 0.03 0.04 0.50 0.37 0.00 0.00 175.52 176.58 2kmx h LYS 1094N 0.17 0.10 -0.60 6.66 3.64 -1.38 0.08 116.57 125.24 2kmx h LYS 1094Ca 0.19 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2kmx h LYS 1094Cb 0.24 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.98 2kmx h LYS 1094CO -0.26 0.07 0.32 -0.92 -2.27 0.00 0.00 179.45 176.38 2kmx h TYR 1095N 0.10 0.58 0.03 1.91 5.03 -0.99 0.25 116.97 123.88 2kmx h TYR 1095Ca 0.05 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 2kmx h TYR 1095Cb 0.03 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.14 2kmx h TYR 1095CO -0.11 0.27 -0.01 0.00 -1.32 0.00 0.00 178.16 176.99 2kmx h LYS 1097N -0.54 0.95 -0.22 0.00 1.63 -0.80 0.13 116.57 117.72 2kmx h LYS 1097Ca -0.00 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.60 2kmx h LYS 1097Cb 0.50 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 2kmx h LYS 1097CO 0.01 0.63 -0.45 0.37 -3.45 0.00 0.00 179.45 176.56 2kmx h GLN 1098N 0.98 0.55 -0.13 1.90 5.75 -0.97 0.27 115.11 123.46 2kmx h GLN 1098Ca 0.43 -0.30 -0.06 0.00 -0.15 0.00 0.00 58.65 58.57 2kmx h GLN 1098Cb 0.35 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 2kmx h GLN 1098CO -0.19 0.89 -0.15 1.49 -2.65 0.00 0.00 178.83 178.22 2kmx h GLU 1099N 0.44 0.34 0.00 1.69 4.57 -0.43 -3.30 114.58 117.89 2kmx h GLU 1099Ca 0.03 -0.19 -0.14 0.00 -1.18 0.00 0.00 59.36 57.88 2kmx h GLU 1099Cb 0.96 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 2kmx h GLU 1099CO 0.09 0.75 -0.69 -0.07 -1.18 0.00 0.00 179.01 177.90 2kmx h LEU 1100N -0.05 0.00 -1.40 1.64 3.38 -0.84 -3.48 115.31 114.55 2kmx h LEU 1100Ca 0.02 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.55 2kmx h LEU 1100Cb 0.70 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.48 2kmx h LEU 1100CO 0.04 0.69 -0.79 -0.67 0.09 0.00 0.00 178.44 177.80 2kmx n ASP 1101N -3.72 -2.99 -3.79 -0.43 2.03 0.08 -5.00 116.55 102.73 2kmx n ASP 1101Ca -0.01 -0.77 -0.13 0.00 0.52 0.00 0.00 54.79 54.40 2kmx n ASP 1101Cb 0.68 -4.13 -0.10 0.00 -0.72 0.00 0.00 41.12 36.85 2kmx n ASP 1101CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kmx s THR 1102N -3.49 0.04 -0.23 5.18 -1.32 -1.25 -5.08 115.64 109.50 2kmx s THR 1102Ca 0.30 -0.35 0.16 0.00 -1.21 0.00 0.00 61.69 60.58 2kmx s THR 1102Cb -0.15 -0.49 0.67 0.00 -1.51 0.00 0.00 72.50 71.02 2kmx s THR 1102CO 0.81 -0.19 1.57 1.21 -2.21 0.00 0.00 174.62 175.81 2kmx n GLU 1103N 1.93 3.84 0.00 7.08 2.13 -1.26 -4.56 120.64 129.80 2kmx n GLU 1103Ca -0.19 -2.99 0.05 0.00 0.66 0.00 0.00 57.16 54.70 2kmx n GLU 1103Cb 0.57 -2.04 -0.02 0.00 0.27 0.00 0.00 31.44 30.22 2kmx n GLU 1103CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2kmx n THR 1104N 0.03 0.00 -2.29 6.31 -2.24 -1.26 -5.05 114.28 109.78 2kmx n THR 1104Ca 0.24 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 2kmx n THR 1104Cb 1.03 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 70.34 2kmx n THR 1104CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kmx s LEU 1105N -1.89 3.85 0.19 3.22 2.34 -1.26 -4.86 118.68 120.27 2kmx s LEU 1105Ca 0.07 2.19 0.00 0.00 0.06 0.00 0.00 54.13 56.46 2kmx s LEU 1105Cb 0.08 -4.46 0.00 0.00 -0.56 0.00 0.00 46.19 41.25 2kmx s LEU 1105CO 0.31 -1.07 0.00 0.61 -1.06 0.00 0.00 176.35 175.14 2kmx n GLY 1106N 0.22 -3.72 0.21 -3.48 0.00 -1.26 -4.95 105.19 92.22 2kmx n GLY 1106Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2kmx n GLY 1106CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kmx n THR 1107N -0.73 0.00 -3.96 2.61 -1.04 -1.26 -5.00 114.28 104.91 2kmx n THR 1107Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2kmx n THR 1107Cb 0.00 -0.15 -0.13 0.00 -1.82 0.00 0.00 70.33 68.22 2kmx n THR 1107CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kmx s ILE 1109N -0.44 -0.03 -0.62 0.00 -1.09 -1.25 -4.01 121.20 113.76 2kmx s ILE 1109Ca -0.04 0.13 0.23 0.00 -2.23 0.00 0.00 60.65 58.74 2kmx s ILE 1109Cb -0.03 -0.06 -0.06 0.00 -1.58 0.00 0.00 42.46 40.72 2kmx s ILE 1109CO -0.00 0.05 1.12 -0.90 -1.23 0.00 0.00 174.94 173.98 2kmx n ASP 1110N 3.73 0.64 -2.15 3.58 5.75 -0.87 -4.93 116.55 122.30 2kmx n ASP 1110Ca -0.21 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.47 2kmx n ASP 1110Cb 0.54 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 2kmx n ASP 1110CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2kmx n PHE 1111N -2.01 -3.61 -3.49 2.11 3.72 -1.26 -4.69 117.46 108.23 2kmx n PHE 1111Ca 0.02 2.16 -0.29 0.00 -0.05 0.00 0.00 57.45 59.29 2kmx n PHE 1111Cb 0.44 -2.98 -0.13 0.00 -0.94 0.00 0.00 39.48 35.86 2kmx n PHE 1111CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2kmx s GLN 1112N -0.42 0.43 0.08 -1.08 1.11 0.06 -4.51 119.66 115.34 2kmx s GLN 1112Ca 0.00 -1.08 -0.01 0.00 0.01 0.00 0.00 55.36 54.28 2kmx s GLN 1112Cb 0.00 -1.25 -0.04 0.00 -1.01 0.00 0.00 33.01 30.70 2kmx s GLN 1112CO 0.00 -1.15 0.25 0.14 0.01 0.00 0.00 175.29 174.54 2kmx s VAL 1113N 1.39 5.34 -0.21 1.09 -7.23 -1.26 -1.11 120.40 118.40 2kmx s VAL 1113Ca 0.15 -0.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.98 2kmx s VAL 1113Cb -0.21 -3.63 0.08 0.00 0.56 0.00 0.00 36.38 33.18 2kmx s VAL 1113CO -0.11 0.11 0.11 -0.69 -0.31 0.00 0.00 175.10 174.22 2kmx s VAL 1114N -1.55 -0.10 0.64 1.32 1.01 0.07 -4.82 120.40 116.96 2kmx s VAL 1114Ca 0.36 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 2kmx s VAL 1114Cb -0.13 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2kmx s VAL 1114CO 0.27 -0.43 1.23 -2.65 0.00 0.00 0.00 175.10 173.51 2kmx n PRO 1115N 5.27 1.08 0.00 2.72 -0.02 -1.26 -0.94 135.00 141.85 2kmx n PRO 1115Ca -0.06 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2kmx n PRO 1115Cb 0.47 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2kmx n PRO 1115CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kmx n GLY 1116N 1.00 1.91 0.53 -1.23 0.00 -1.26 -2.92 105.19 103.23 2kmx n GLY 1116Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2kmx n GLY 1116CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kmx n GLY 1118N 3.19 -0.54 3.08 0.00 0.00 -0.11 -2.04 105.19 108.76 2kmx n GLY 1118Ca 0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 2kmx n GLY 1118CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kmx s ILE 1119N -3.68 0.07 0.05 -0.61 2.07 -0.86 -0.76 121.20 117.48 2kmx s ILE 1119Ca 0.00 -0.62 0.08 0.00 -1.41 0.00 0.00 60.65 58.71 2kmx s ILE 1119Cb 0.00 -0.38 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 2kmx s ILE 1119CO 0.00 -0.34 -0.22 -0.55 -1.91 0.00 0.00 174.94 171.93 2kmx s SER 1120N -1.18 3.54 0.12 4.50 0.15 -0.27 -1.64 113.70 118.93 2kmx s SER 1120Ca -0.13 -0.51 -0.25 0.00 0.70 0.00 0.00 55.95 55.76 2kmx s SER 1120Cb -0.07 -0.47 0.07 0.00 -1.71 0.00 0.00 66.02 63.84 2kmx s SER 1120CO 0.01 0.25 0.83 0.00 1.20 0.00 0.00 173.24 175.54 2kmx s LYS 1122N -3.41 2.58 0.16 0.00 -0.14 -1.26 -0.87 119.74 116.79 2kmx s LYS 1122Ca 0.08 -0.75 0.10 0.00 -1.36 0.00 0.00 55.97 54.03 2kmx s LYS 1122Cb -0.02 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 33.55 2kmx s LYS 1122CO -0.03 0.58 -0.21 0.14 -0.76 0.00 0.00 175.35 175.07 2kmx s VAL 1123N -1.13 2.00 0.07 3.17 -7.23 -0.39 -2.06 120.40 114.83 2kmx s VAL 1123Ca 0.21 -1.89 -0.08 0.00 -1.81 0.00 0.00 61.98 58.41 2kmx s VAL 1123Cb -0.11 -1.90 -0.00 0.00 0.56 0.00 0.00 36.38 34.93 2kmx s VAL 1123CO 0.12 -0.19 0.17 0.28 -0.31 0.00 0.00 175.10 175.16 2kmx s THR 1124N -1.73 0.14 0.00 5.32 -1.32 -1.26 -2.34 115.64 114.45 2kmx s THR 1124Ca 0.16 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2kmx s THR 1124Cb -0.07 -1.18 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 2kmx s THR 1124CO 0.07 -0.62 0.00 -3.20 -2.21 0.00 0.00 174.62 168.66 2kmx n ASN 1125N 0.26 0.00 0.22 8.08 2.85 -1.26 -3.52 115.26 121.89 2kmx n ASN 1125Ca -0.16 0.00 0.17 0.00 -0.11 0.00 0.00 54.58 54.48 2kmx n ASN 1125Cb 0.61 0.00 0.74 0.00 1.24 0.00 0.00 39.78 42.37 2kmx n ASN 1125CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2kmx h ILE 1126N 0.00 0.15 -0.49 -1.44 -2.65 -2.01 -1.80 117.51 109.27 2kmx h ILE 1126Ca 0.00 0.00 -0.27 0.00 1.03 0.00 0.00 64.86 65.62 2kmx h ILE 1126Cb 0.00 0.61 -0.40 0.00 -2.05 0.00 0.00 36.82 34.98 2kmx h ILE 1126CO 0.00 0.00 -1.11 1.21 0.03 0.00 0.00 178.15 178.28 2kmx n GLU 1127N -3.22 1.81 0.29 0.16 4.07 -1.26 -4.98 120.64 117.51 2kmx n GLU 1127Ca 0.03 -3.54 0.14 0.00 -0.06 0.00 0.00 57.16 53.73 2kmx n GLU 1127Cb 0.54 -1.63 0.76 0.00 -0.06 0.00 0.00 31.44 31.05 2kmx n GLU 1127CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2kmx h GLY 1128N 2.61 0.00 1.61 8.31 0.00 -1.65 -1.69 103.07 112.26 2kmx h GLY 1128Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2kmx h GLY 1128CO 0.24 0.00 0.00 1.47 0.00 0.00 0.00 176.54 178.25 2kmx n LEU 1129N -2.70 0.00 0.18 3.11 -0.00 -1.26 -3.46 117.00 112.86 2kmx n LEU 1129Ca -0.02 0.31 0.04 0.00 -0.00 0.00 0.00 56.01 56.34 2kmx n LEU 1129Cb 0.31 -0.31 0.29 0.00 -0.00 0.00 0.00 43.42 43.71 2kmx n LEU 1129CO 0.12 -0.17 0.63 0.25 -0.00 0.00 0.00 177.39 178.23 2kmx h LEU 1130N 0.00 0.00 -0.27 1.47 5.85 -1.74 -3.50 115.31 117.12 2kmx h LEU 1130Ca 0.00 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.04 2kmx h LEU 1130Cb 0.14 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.07 2kmx h LEU 1130CO 0.00 0.43 -0.54 1.57 -0.34 0.00 0.00 178.44 179.56 2kmx n HIS 1131N -3.58 -3.01 -0.39 1.25 -0.00 -1.22 -4.76 115.22 103.50 2kmx n HIS 1131Ca -0.00 1.53 0.12 0.00 -0.00 0.00 0.00 57.72 59.36 2kmx n HIS 1131Cb 0.54 -2.74 0.33 0.00 -0.00 0.00 0.00 29.99 28.12 2kmx n HIS 1131CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2kmx n LYS 1132N -3.78 2.79 0.00 1.57 4.81 -1.26 -5.00 118.16 117.29 2kmx n LYS 1132Ca -0.01 -2.70 0.00 0.00 -0.87 0.00 0.00 58.31 54.74 2kmx n LYS 1132Cb 0.55 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 34.00 2kmx n LYS 1132CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2kmx n ASN 1133N 1.66 0.00 -1.16 3.14 5.15 -1.26 -4.90 115.26 117.89 2kmx n ASN 1133Ca 0.25 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.31 2kmx n ASN 1133Cb 0.64 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.85 2kmx n ASN 1133CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2kmx n ASN 1134N 0.17 -6.27 -1.20 1.20 5.15 -1.26 -5.10 115.26 107.95 2kmx n ASN 1134Ca 0.00 1.26 0.15 0.00 -0.60 0.00 0.00 54.58 55.39 2kmx n ASN 1134Cb 0.00 -3.82 -0.07 0.00 -0.53 0.00 0.00 39.78 35.36 2kmx n ASN 1134CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2kmx n TRP 1135N -3.27 -3.20 -0.32 1.20 8.01 -1.26 -4.86 117.44 113.73 2kmx n TRP 1135Ca -0.05 1.75 0.00 0.00 -1.31 0.00 0.00 57.50 57.89 2kmx n TRP 1135Cb 0.48 -2.91 0.00 0.00 -2.01 0.00 0.00 31.31 26.86 2kmx n TRP 1135CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 2kmx n ASN 1136N -3.96 0.00 0.13 -0.99 3.02 -1.26 -4.84 115.26 107.36 2kmx n ASN 1136Ca -0.07 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.59 2kmx n ASN 1136Cb 0.57 -1.30 0.50 0.00 -0.61 0.00 0.00 39.78 38.93 2kmx n ASN 1136CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 2kmx n ILE 1137N -2.00 0.96 0.00 2.41 5.41 -1.26 -4.56 119.36 120.32 2kmx n ILE 1137Ca 0.00 0.42 0.00 0.00 1.00 0.00 0.00 62.75 64.17 2kmx n ILE 1137Cb 0.00 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 2kmx n ILE 1137CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2kmx n GLU 1138N -2.18 0.00 0.00 0.38 2.13 -1.26 -4.77 120.64 114.94 2kmx n GLU 1138Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 2kmx n GLU 1138Cb 0.15 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.68 2kmx n GLU 1138CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kmx n ASP 1139N 1.28 0.00 -1.35 4.31 8.00 -1.26 -4.65 116.55 122.88 2kmx n ASP 1139Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 2kmx n ASP 1139Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 2kmx n ASP 1139CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kmx n ASN 1140N 0.00 -3.97 0.11 -2.24 2.85 -1.26 -4.53 115.26 106.22 2kmx n ASN 1140Ca 0.00 0.35 0.00 0.00 -0.11 0.00 0.00 54.58 54.82 2kmx n ASN 1140Cb 0.00 -3.57 0.00 0.00 1.24 0.00 0.00 39.78 37.45 2kmx n ASN 1140CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2kmx n ASN 1141N -0.66 -1.68 -4.71 1.20 3.02 -1.26 -4.80 115.26 106.37 2kmx n ASN 1141Ca -0.14 0.43 -0.33 0.00 -0.03 0.00 0.00 54.58 54.51 2kmx n ASN 1141Cb 0.49 1.76 0.12 0.00 -0.61 0.00 0.00 39.78 41.54 2kmx n ASN 1141CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2kmx s ILE 1142N -1.51 2.29 -1.10 2.41 1.10 -1.26 -4.89 121.20 118.23 2kmx s ILE 1142Ca 0.00 0.12 -0.21 0.00 -0.51 0.00 0.00 60.65 60.05 2kmx s ILE 1142Cb 0.00 -2.47 -0.07 0.00 0.15 0.00 0.00 42.46 40.07 2kmx s ILE 1142CO 0.00 -0.10 1.93 1.17 -2.11 0.00 0.00 174.94 175.83 2kmx n LYS 1143N -3.39 1.96 -0.03 3.50 4.81 -1.26 -4.72 118.16 119.03 2kmx n LYS 1143Ca 0.12 -2.41 0.06 0.00 -0.87 0.00 0.00 58.31 55.21 2kmx n LYS 1143Cb 0.51 -3.39 0.32 0.00 0.02 0.00 0.00 35.03 32.50 2kmx n LYS 1143CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2kmx n ASN 1144N 10.34 0.49 -4.87 3.14 6.94 -1.26 -4.93 115.26 125.12 2kmx n ASN 1144Ca 0.48 -1.70 -0.36 0.00 -0.02 0.00 0.00 54.58 52.98 2kmx n ASN 1144Cb 0.44 -0.04 -0.06 0.00 -2.36 0.00 0.00 39.78 37.76 2kmx n ASN 1144CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kmx s ALA 1145N -1.91 3.80 0.11 -2.53 0.00 -1.26 -5.00 121.76 114.96 2kmx s ALA 1145Ca 0.20 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.62 2kmx s ALA 1145Cb 0.10 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 2kmx s ALA 1145CO 0.16 0.58 0.21 -1.54 0.00 0.00 0.00 175.76 175.17 2kmx s SER 1146N -1.34 0.11 0.00 0.00 1.04 -1.26 -4.88 113.70 107.36 2kmx s SER 1146Ca 0.24 -0.74 0.29 0.00 0.48 0.00 0.00 55.95 56.22 2kmx s SER 1146Cb -0.14 0.36 1.29 0.00 0.10 0.00 0.00 66.02 67.64 2kmx s SER 1146CO 0.12 -0.78 1.89 0.00 0.98 0.00 0.00 173.24 175.46 2kmx n LEU 1147N -0.11 0.57 -3.55 2.42 -0.00 -1.26 -2.38 117.00 112.70 2kmx n LEU 1147Ca -0.12 -0.08 -0.18 0.00 -0.00 0.00 0.00 56.01 55.63 2kmx n LEU 1147Cb 0.63 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2kmx n LEU 1147CO 0.23 0.10 -0.07 0.52 -0.00 0.00 0.00 177.39 178.18 2kmx n VAL 1148N -0.78 -5.50 0.94 1.47 0.31 -1.26 -4.77 118.33 108.73 2kmx n VAL 1148Ca 0.17 -0.06 -0.00 0.00 -0.01 0.00 0.00 64.34 64.43 2kmx n VAL 1148Cb 0.26 -4.21 0.01 0.00 -0.91 0.00 0.00 33.84 29.00 2kmx n VAL 1148CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2kmx n GLN 1149N -2.24 1.09 -4.00 5.55 7.27 -1.26 -4.76 117.38 119.02 2kmx n GLN 1149Ca -0.21 -0.10 -0.09 0.00 0.07 0.00 0.00 57.00 56.67 2kmx n GLN 1149Cb 0.63 -1.31 -0.11 0.00 2.41 0.00 0.00 30.24 31.87 2kmx n GLN 1149CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2kmx s ILE 1150N -0.63 0.18 -0.01 1.69 -1.09 -1.26 -5.09 121.20 114.98 2kmx s ILE 1150Ca 0.02 -1.04 0.02 0.00 -2.23 0.00 0.00 60.65 57.41 2kmx s ILE 1150Cb 0.01 -0.46 0.03 0.00 -1.58 0.00 0.00 42.46 40.47 2kmx s ILE 1150CO 0.00 -0.55 0.89 0.47 -1.23 0.00 0.00 174.94 174.53 2kmx n ASP 1151N 1.40 1.47 -3.68 3.58 8.00 -1.26 -4.87 116.55 121.18 2kmx n ASP 1151Ca -0.23 -1.87 -0.41 0.00 0.71 0.00 0.00 54.79 52.99 2kmx n ASP 1151Cb 0.56 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.61 2kmx n ASP 1151CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmx n ALA 1152N -0.46 6.04 -4.39 2.24 0.00 -1.26 -4.81 120.51 117.87 2kmx n ALA 1152Ca 0.02 -4.50 -0.35 0.00 0.00 0.00 0.00 53.44 48.61 2kmx n ALA 1152Cb 0.37 -2.42 -0.09 0.00 0.00 0.00 0.00 19.45 17.31 2kmx n ALA 1152CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kmx n SER 1153N 0.90 0.03 -4.95 0.00 2.88 -1.26 -4.90 113.62 106.32 2kmx n SER 1153Ca 0.46 -1.27 -0.23 0.00 -1.33 0.00 0.00 58.87 56.51 2kmx n SER 1153Cb 0.28 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 2kmx n SER 1153CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kmx s ASN 1154N -4.01 6.03 0.00 -3.46 4.22 -1.26 -4.61 114.94 111.85 2kmx s ASN 1154Ca 0.28 0.32 0.00 0.00 -2.14 0.00 0.00 52.86 51.32 2kmx s ASN 1154Cb -0.16 -1.71 0.00 0.00 1.28 0.00 0.00 41.25 40.66 2kmx s ASN 1154CO 1.01 -0.52 0.00 -0.62 -2.04 0.00 0.00 177.10 174.92 2kmx n GLU 1155N -1.94 0.00 0.15 3.55 1.02 -1.26 -4.23 120.64 117.93 2kmx n GLU 1155Ca -0.01 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.23 2kmx n GLU 1155Cb 0.57 -4.01 0.53 0.00 -0.02 0.00 0.00 31.44 28.52 2kmx n GLU 1155CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kmx n GLN 1156N -2.00 0.13 -0.32 3.49 6.02 -1.15 -1.46 117.38 122.10 2kmx n GLN 1156Ca 0.00 0.61 0.03 0.00 -0.01 0.00 0.00 57.00 57.63 2kmx n GLN 1156Cb 0.00 -1.91 0.04 0.00 1.02 0.00 0.00 30.24 29.39 2kmx n GLN 1156CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2kmx n SER 1157N -2.19 0.75 0.07 1.08 7.64 -1.26 -4.85 113.62 114.85 2kmx n SER 1157Ca -0.01 -2.23 0.13 0.00 1.01 0.00 0.00 58.87 57.77 2kmx n SER 1157Cb 0.05 -0.24 0.38 0.00 -1.01 0.00 0.00 64.21 63.39 2kmx n SER 1157CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kmx n SER 1158N -0.43 0.63 -3.74 6.43 3.41 -0.53 -4.91 113.62 114.49 2kmx n SER 1158Ca 0.05 0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.93 2kmx n SER 1158Cb 0.65 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 64.04 2kmx n SER 1158CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2kmx s THR 1159N -3.09 0.01 -0.13 6.66 -1.32 -1.26 -5.12 115.64 111.39 2kmx s THR 1159Ca 0.10 -0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.23 2kmx s THR 1159Cb 0.14 -0.58 0.06 0.00 -1.51 0.00 0.00 72.50 70.60 2kmx s THR 1159CO 0.62 -0.07 0.57 -0.55 -2.21 0.00 0.00 174.62 172.98 2kmx s SER 1160N -0.24 -0.56 0.18 8.08 0.15 -1.26 -4.88 113.70 115.18 2kmx s SER 1160Ca -0.04 0.83 -0.15 0.00 0.70 0.00 0.00 55.95 57.30 2kmx s SER 1160Cb -0.03 0.82 -0.07 0.00 -1.71 0.00 0.00 66.02 65.02 2kmx s SER 1160CO 0.02 -0.39 0.60 -0.44 1.20 0.00 0.00 173.24 174.23 2kmx s SER 1161N -0.49 6.84 0.00 5.45 0.01 -1.26 -5.01 113.70 119.24 2kmx s SER 1161Ca -0.06 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.34 2kmx s SER 1161Cb -0.03 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2kmx s SER 1161CO 0.05 0.05 0.00 -1.54 0.41 0.00 0.00 173.24 172.20 2kmx n SER 1162N 0.60 3.07 -4.81 2.44 3.41 -1.26 -4.98 113.62 112.08 2kmx n SER 1162Ca -0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.33 2kmx n SER 1162Cb 0.52 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.62 2kmx n SER 1162CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2kmx s MET 1163N -1.66 2.93 0.00 4.33 -1.94 -1.26 -4.54 119.30 117.15 2kmx s MET 1163Ca 0.00 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.04 2kmx s MET 1163Cb 0.00 -2.62 0.00 0.00 2.01 0.00 0.00 34.83 34.22 2kmx s MET 1163CO 0.00 0.45 0.00 -0.89 -0.01 0.00 0.00 175.02 174.57 2kmx n ILE 1164N -0.71 0.00 0.41 2.53 2.08 -1.26 -4.63 119.36 117.78 2kmx n ILE 1164Ca -0.08 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.36 2kmx n ILE 1164Cb 0.56 0.00 0.46 0.00 -0.75 0.00 0.00 39.64 39.91 2kmx n ILE 1164CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 2kmx h ILE 1165N 0.00 0.00 0.00 1.39 -0.00 -1.94 -3.19 117.51 113.77 2kmx h ILE 1165Ca 0.00 -0.48 -0.06 0.00 -0.00 0.00 0.00 64.86 64.32 2kmx h ILE 1165Cb 0.00 1.38 -0.01 0.00 -0.00 0.00 0.00 36.82 38.19 2kmx h ILE 1165CO 0.00 0.00 -1.46 0.47 -0.00 0.00 0.00 178.15 177.16 2kmx n ASP 1166N -2.55 3.00 0.14 2.16 8.00 -1.26 -4.69 116.55 121.34 2kmx n ASP 1166Ca 0.03 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.65 2kmx n ASP 1166Cb 0.35 1.12 0.52 0.00 -0.02 0.00 0.00 41.12 43.09 2kmx n ASP 1166CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kmx n ALA 1167N -2.01 1.45 0.34 2.24 0.00 -1.21 -2.34 120.51 118.99 2kmx n ALA 1167Ca -0.06 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.62 2kmx n ALA 1167Cb 0.45 -1.36 0.05 0.00 0.00 0.00 0.00 19.45 18.58 2kmx n ALA 1167CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kmx n GLN 1168N -2.25 0.44 -0.20 0.00 10.64 -1.23 -4.16 117.38 120.63 2kmx n GLN 1168Ca 0.01 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2kmx n GLN 1168Cb 0.16 -1.72 0.25 0.00 -0.86 0.00 0.00 30.24 28.07 2kmx n GLN 1168CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2kmx h ILE 1169N 0.00 1.19 0.00 -0.39 2.04 -1.77 -1.83 117.51 116.75 2kmx h ILE 1169Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2kmx h ILE 1169Cb 0.86 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2kmx h ILE 1169CO 0.00 0.19 0.00 -1.54 0.00 0.00 0.00 178.15 176.80 2kmx n SER 1170N -4.41 0.00 -0.00 1.72 3.41 -1.26 -2.49 113.62 110.59 2kmx n SER 1170Ca 0.07 -0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.58 2kmx n SER 1170Cb 0.05 -0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 2kmx n SER 1170CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kmx n ASN 1171N -1.23 0.97 0.15 4.04 5.15 -0.70 -4.79 115.26 118.85 2kmx n ASN 1171Ca 0.13 -0.97 0.10 0.00 -0.60 0.00 0.00 54.58 53.24 2kmx n ASN 1171Cb 0.18 1.02 0.60 0.00 -0.53 0.00 0.00 39.78 41.05 2kmx n ASN 1171CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kmx h ALA 1172N 2.94 2.04 -0.46 5.20 0.00 -1.40 0.18 119.26 127.74 2kmx h ALA 1172Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2kmx h ALA 1172Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2kmx h ALA 1172CO 0.00 -0.08 0.33 -0.07 0.00 0.00 0.00 179.25 179.43 2kmx h LEU 1173N 0.12 0.03 0.04 0.00 -0.00 -1.87 -2.60 115.31 111.04 2kmx h LEU 1173Ca 0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.88 57.59 2kmx h LEU 1173Cb 0.20 -0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 40.80 2kmx h LEU 1173CO -0.01 0.02 -2.32 0.59 -0.00 0.00 0.00 178.44 176.71 2kmx n ASN 1174N -4.41 2.02 -4.34 -0.43 3.02 -0.58 -4.84 115.26 105.70 2kmx n ASN 1174Ca 0.08 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2kmx n ASN 1174Cb 0.51 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 39.12 2kmx n ASN 1174CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kmx n ALA 1175N -3.21 3.95 -0.34 5.41 0.00 -0.05 -4.80 120.51 121.46 2kmx n ALA 1175Ca -0.42 -3.79 0.23 0.00 0.00 0.00 0.00 53.44 49.47 2kmx n ALA 1175Cb 1.00 -3.58 0.47 0.00 0.00 0.00 0.00 19.45 17.34 2kmx n ALA 1175CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kmx h GLN 1176N 7.31 0.34 0.00 0.00 4.20 -1.89 -3.44 115.11 121.64 2kmx h GLN 1176Ca 0.47 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2kmx h GLN 1176Cb 0.81 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2kmx h GLN 1176CO 1.57 0.23 0.00 1.04 -0.67 0.00 0.00 178.83 181.00 2kmx n GLN 1177N -5.01 0.00 -2.51 1.46 6.02 -1.26 -4.91 117.38 111.16 2kmx n GLN 1177Ca 0.31 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.88 2kmx n GLN 1177Cb 0.96 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.20 2kmx n GLN 1177CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2kmx s TYR 1178N 0.00 3.23 -0.21 1.08 2.02 -0.99 -4.86 117.35 117.63 2kmx s TYR 1178Ca 0.00 1.29 -0.21 0.00 -0.37 0.00 0.00 57.07 57.77 2kmx s TYR 1178Cb 0.00 -3.37 -0.02 0.00 -0.40 0.00 0.00 41.96 38.16 2kmx s TYR 1178CO 0.00 -1.08 0.65 0.21 -1.57 0.00 0.00 175.55 173.76 2kmx s LYS 1179N 2.34 4.20 0.01 -0.62 2.20 -1.26 -1.26 119.74 125.34 2kmx s LYS 1179Ca 0.54 0.65 0.02 0.00 -0.36 0.00 0.00 55.97 56.81 2kmx s LYS 1179Cb -0.23 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 2kmx s LYS 1179CO 0.20 -0.29 -0.07 0.14 -0.36 0.00 0.00 175.35 174.97 2kmx s VAL 1180N 2.06 0.52 0.00 4.02 -7.23 -0.05 -0.69 120.40 119.03 2kmx s VAL 1180Ca 0.29 -0.43 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 2kmx s VAL 1180Cb -0.16 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 2kmx s VAL 1180CO 0.10 0.04 0.03 -1.48 -0.31 0.00 0.00 175.10 173.48 2kmx s LEU 1181N -0.43 1.95 -0.02 1.32 2.34 -0.04 -0.89 118.68 122.91 2kmx s LEU 1181Ca 0.00 -0.19 -0.06 0.00 0.06 0.00 0.00 54.13 53.94 2kmx s LEU 1181Cb -0.04 0.21 0.01 0.00 -0.56 0.00 0.00 46.19 45.81 2kmx s LEU 1181CO -0.00 -0.18 0.14 -0.51 -1.06 0.00 0.00 176.35 174.74 2kmx s ILE 1182N -0.77 0.05 0.00 1.48 2.07 -0.65 -0.80 121.20 122.58 2kmx s ILE 1182Ca -0.09 -0.42 0.00 0.00 -1.41 0.00 0.00 60.65 58.73 2kmx s ILE 1182Cb -0.05 -0.35 0.00 0.00 0.13 0.00 0.00 42.46 42.19 2kmx s ILE 1182CO -0.00 -0.23 0.00 0.61 -1.91 0.00 0.00 174.94 173.41 2kmx n GLY 1183N 2.07 3.35 7.00 1.50 0.00 -0.68 -2.04 105.19 116.39 2kmx n GLY 1183Ca -0.19 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2kmx n GLY 1183CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kmx n ASN 1184N 0.00 -0.26 0.00 1.61 2.85 -0.87 -4.46 115.26 114.14 2kmx n ASN 1184Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2kmx n ASN 1184Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2kmx n ASN 1184CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 2kmx n ARG 1185N 0.00 1.97 -0.13 1.20 1.85 -1.26 -3.47 116.66 116.81 2kmx n ARG 1185Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.79 2kmx n ARG 1185Cb 0.00 -0.75 0.11 0.00 -1.05 0.00 0.00 32.46 30.77 2kmx n ARG 1185CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2kmx h GLU 1186N 0.00 0.87 0.00 2.89 4.81 -1.99 -2.58 114.58 118.58 2kmx h GLU 1186Ca 0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2kmx h GLU 1186Cb 0.50 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2kmx h GLU 1186CO 0.00 0.90 0.00 2.35 -0.73 0.00 0.00 179.01 181.53 2kmx h TRP 1187N 0.79 0.00 -0.00 0.92 2.91 -1.91 0.45 115.95 119.11 2kmx h TRP 1187Ca 0.14 0.00 -0.11 0.00 1.13 0.00 0.00 58.89 60.05 2kmx h TRP 1187Cb 0.55 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.18 2kmx h TRP 1187CO 0.03 0.00 -0.50 1.98 -1.03 0.00 0.00 178.44 178.92 2kmx h MET 1188N 0.00 0.01 0.10 2.65 4.05 -1.74 -1.71 114.93 118.30 2kmx h MET 1188Ca 0.00 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 2kmx h MET 1188Cb 0.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2kmx h MET 1188CO 0.00 0.51 -0.05 0.82 0.23 0.00 0.00 176.91 178.42 2kmx h ILE 1189N 0.01 0.00 -0.17 1.77 2.04 -1.20 -3.29 117.51 116.66 2kmx h ILE 1189Ca -0.00 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2kmx h ILE 1189Cb 0.89 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2kmx h ILE 1189CO 0.07 0.00 0.61 -0.09 0.00 0.00 0.00 178.15 178.74 2kmx h ARG 1190N -0.30 0.00 -0.56 2.37 2.43 -0.94 -0.43 114.38 116.95 2kmx h ARG 1190Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2kmx h ARG 1190Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2kmx h ARG 1190CO 0.02 0.00 0.00 -1.71 -1.51 0.00 0.00 179.97 176.77 2kmx n ASN 1191N -2.96 3.09 -1.96 -3.80 5.15 -0.65 -4.97 115.26 109.16 2kmx n ASN 1191Ca 0.03 -2.18 -0.13 0.00 -0.60 0.00 0.00 54.58 51.69 2kmx n ASN 1191Cb 0.70 -0.42 0.03 0.00 -0.53 0.00 0.00 39.78 39.56 2kmx n ASN 1191CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kmx n GLY 1192N 1.03 -0.00 4.01 8.20 0.00 -0.17 -4.91 105.19 113.34 2kmx n GLY 1192Ca 0.17 -0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2kmx n GLY 1192CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kmx s LEU 1193N -4.24 3.50 0.10 0.99 1.43 -1.24 -5.05 118.68 114.17 2kmx s LEU 1193Ca 0.21 -0.55 0.10 0.00 -1.03 0.00 0.00 54.13 52.86 2kmx s LEU 1193Cb -0.09 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2kmx s LEU 1193CO 0.26 -0.89 -0.25 -0.69 0.23 0.00 0.00 176.35 175.01 2kmx s VAL 1194N -2.44 2.07 0.18 -1.59 1.01 -1.26 -4.84 120.40 113.53 2kmx s VAL 1194Ca 0.56 -1.57 0.10 0.00 0.00 0.00 0.00 61.98 61.06 2kmx s VAL 1194Cb -0.08 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2kmx s VAL 1194CO 0.34 0.14 -0.20 -0.51 0.00 0.00 0.00 175.10 174.87 2kmx s ILE 1195N -0.99 2.04 0.34 2.22 2.07 -1.26 -4.93 121.20 120.69 2kmx s ILE 1195Ca 0.11 -1.98 0.09 0.00 -1.41 0.00 0.00 60.65 57.46 2kmx s ILE 1195Cb -0.10 -1.96 -0.06 0.00 0.13 0.00 0.00 42.46 40.47 2kmx s ILE 1195CO 0.04 -0.25 -0.03 0.20 -1.91 0.00 0.00 174.94 172.99 2kmx s ASN 1196N -2.71 4.00 0.06 4.50 0.01 -1.26 -5.05 114.94 114.49 2kmx s ASN 1196Ca 0.18 -1.08 -0.20 0.00 -0.71 0.00 0.00 52.86 51.05 2kmx s ASN 1196Cb -0.06 -0.46 -0.12 0.00 0.41 0.00 0.00 41.25 41.02 2kmx s ASN 1196CO 0.08 -0.23 1.47 -1.13 -1.51 0.00 0.00 177.10 175.78 2kmx h ASN 1197N 1.89 0.31 -0.56 -1.22 -1.24 -2.02 -1.94 115.58 110.80 2kmx h ASN 1197Ca -0.42 -0.34 -0.01 0.00 0.71 0.00 0.00 56.30 56.24 2kmx h ASN 1197Cb 1.25 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 40.19 2kmx h ASN 1197CO 0.68 0.58 0.32 0.44 -1.29 0.00 0.00 177.43 178.16 2kmx h ASP 1198N 0.04 0.69 0.15 1.15 5.19 -1.99 -0.56 116.42 121.09 2kmx h ASP 1198Ca 0.05 -0.08 -0.17 0.00 -0.62 0.00 0.00 57.03 56.21 2kmx h ASP 1198Cb 0.43 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.75 2kmx h ASP 1198CO 0.01 0.57 -0.63 1.62 -3.12 0.00 0.00 179.24 177.70 2kmx h VAL 1199N 0.76 1.35 -0.33 -1.35 3.04 -1.99 -2.27 116.25 115.46 2kmx h VAL 1199Ca 0.20 -1.95 -0.09 0.00 -1.01 0.00 0.00 66.70 63.85 2kmx h VAL 1199Cb 0.03 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2kmx h VAL 1199CO -0.03 0.59 -0.15 -1.13 -1.01 0.00 0.00 177.57 175.84 2kmx h ASN 1200N 0.34 0.71 -0.53 3.17 -1.24 -1.02 0.86 115.58 117.87 2kmx h ASN 1200Ca -0.01 -0.40 0.02 0.00 0.71 0.00 0.00 56.30 56.62 2kmx h ASN 1200Cb 1.18 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 40.00 2kmx h ASN 1200CO 0.11 0.95 0.32 -0.78 -1.29 0.00 0.00 177.43 176.75 2kmx h ASP 1201N 0.46 0.53 -0.49 1.15 1.82 -1.15 -1.63 116.42 117.12 2kmx h ASP 1201Ca 0.07 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.65 2kmx h ASP 1201Cb 0.68 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.55 2kmx h ASP 1201CO 0.05 0.37 0.07 0.15 -1.61 0.00 0.00 179.24 178.27 2kmx h PHE 1202N 0.64 0.91 0.07 0.28 3.04 -1.33 -1.21 116.94 119.36 2kmx h PHE 1202Ca 0.21 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 2kmx h PHE 1202Cb 0.00 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.26 2kmx h PHE 1202CO -0.06 0.80 -0.04 1.98 -2.02 0.00 0.00 178.31 178.97 2kmx h MET 1203N 0.82 -0.10 -0.26 1.11 4.05 -0.34 -1.16 114.93 119.07 2kmx h MET 1203Ca 0.17 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.51 2kmx h MET 1203Cb 0.39 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 2kmx h MET 1203CO 0.01 0.22 -0.20 0.00 0.23 0.00 0.00 176.91 177.17 2kmx h THR 1204N -0.42 1.25 -0.29 -0.77 1.03 -1.36 -1.84 112.91 110.51 2kmx h THR 1204Ca -0.01 -1.15 0.01 0.00 -0.01 0.00 0.00 66.41 65.25 2kmx h THR 1204Cb 0.36 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 68.70 2kmx h THR 1204CO 0.02 0.37 0.18 -0.08 -0.01 0.00 0.00 175.52 176.00 2kmx h GLU 1205N 0.42 0.36 -0.17 0.00 4.81 -1.07 0.11 114.58 119.05 2kmx h GLU 1205Ca 0.07 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 2kmx h GLU 1205Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2kmx h GLU 1205CO 0.04 0.24 -0.52 0.45 -0.73 0.00 0.00 179.01 178.49 2kmx h HIS 1206N 0.37 0.59 -0.57 0.92 3.86 -1.16 -2.67 115.15 116.50 2kmx h HIS 1206Ca 0.11 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 2kmx h HIS 1206Cb -0.02 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 2kmx h HIS 1206CO -0.07 0.90 0.16 0.93 0.86 0.00 0.00 177.93 180.71 2kmx h GLU 1207N 0.37 0.89 0.00 2.45 5.08 -1.11 -2.82 114.58 119.44 2kmx h GLU 1207Ca 0.01 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 2kmx h GLU 1207Cb 1.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 2kmx h GLU 1207CO 0.09 0.82 -0.30 0.00 -1.00 0.00 0.00 179.01 178.62 2kmx h ARG 1208N 0.80 0.00 -0.04 2.33 3.08 -0.72 -0.97 114.38 118.87 2kmx h ARG 1208Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2kmx h ARG 1208Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2kmx h ARG 1208CO -0.00 0.30 0.00 0.36 -1.07 0.00 0.00 179.97 179.56 2kmx n LYS 1209N -3.60 1.10 -0.20 0.04 2.85 -1.01 -4.91 118.16 112.42 2kmx n LYS 1209Ca -0.01 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 2kmx n LYS 1209Cb 0.43 -1.12 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 2kmx n LYS 1209CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kmx n GLY 1210N 0.65 1.06 3.94 2.58 0.00 -0.37 -5.05 105.19 108.00 2kmx n GLY 1210Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2kmx n GLY 1210CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kmx s ARG 1211N -0.55 3.26 -0.20 1.61 3.00 -1.07 -5.00 118.95 120.00 2kmx s ARG 1211Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 55.73 55.11 2kmx s ARG 1211Cb 0.00 -2.56 -0.01 0.00 0.00 0.00 0.00 34.95 32.38 2kmx s ARG 1211CO 0.00 -0.14 1.24 0.99 0.00 0.00 0.00 175.30 177.39 2kmx s THR 1212N -2.51 4.32 -0.22 0.02 2.01 0.13 -4.01 115.64 115.37 2kmx s THR 1212Ca 0.46 1.58 0.01 0.00 0.31 0.00 0.00 61.69 64.05 2kmx s THR 1212Cb -0.10 -4.07 0.03 0.00 0.01 0.00 0.00 72.50 68.38 2kmx s THR 1212CO 0.38 -0.20 -0.15 0.00 -0.69 0.00 0.00 174.62 173.97 2kmx s ALA 1213N 3.59 2.46 0.05 7.40 0.00 -1.26 -0.88 121.76 133.12 2kmx s ALA 1213Ca 0.53 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 2kmx s ALA 1213Cb -0.20 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 2kmx s ALA 1213CO 0.15 -0.71 -0.00 0.14 0.00 0.00 0.00 175.76 175.34 2kmx s VAL 1214N 1.23 0.18 0.31 0.00 -7.23 -0.78 -4.83 120.40 109.28 2kmx s VAL 1214Ca -0.01 -1.52 0.09 0.00 -1.81 0.00 0.00 61.98 58.74 2kmx s VAL 1214Cb -0.16 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 2kmx s VAL 1214CO -0.09 -0.84 0.06 -0.76 -0.31 0.00 0.00 175.10 173.16 2kmx s LEU 1215N -2.55 3.20 -0.08 1.32 1.02 -1.23 -0.90 118.68 119.47 2kmx s LEU 1215Ca 0.01 -0.74 -0.00 0.00 0.02 0.00 0.00 54.13 53.42 2kmx s LEU 1215Cb 0.03 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.59 2kmx s LEU 1215CO -0.08 -0.16 -0.05 0.54 0.02 0.00 0.00 176.35 176.63 2kmx s VAL 1216N -2.39 0.73 0.15 -1.59 0.11 -0.38 -1.69 120.40 115.34 2kmx s VAL 1216Ca 0.34 -0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.34 2kmx s VAL 1216Cb -0.04 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2kmx s VAL 1216CO 0.21 0.30 -0.10 0.00 -3.33 0.00 0.00 175.10 172.18 2kmx s ALA 1217N 1.53 2.93 -0.16 1.54 0.00 0.02 -2.27 121.76 125.36 2kmx s ALA 1217Ca -0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.52 2kmx s ALA 1217Cb -0.13 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.27 2kmx s ALA 1217CO -0.04 0.53 0.33 0.14 0.00 0.00 0.00 175.76 176.72 2kmx s VAL 1218N -1.50 -0.50 -1.45 0.00 -7.23 0.54 -0.86 120.40 109.40 2kmx s VAL 1218Ca 0.23 0.23 -0.07 0.00 -1.81 0.00 0.00 61.98 60.56 2kmx s VAL 1218Cb -0.10 -0.53 0.01 0.00 0.56 0.00 0.00 36.38 36.32 2kmx s VAL 1218CO 0.14 0.10 0.22 -0.67 -0.31 0.00 0.00 175.10 174.58 2kmx n ASP 1219N 5.34 -0.37 -1.34 4.85 2.03 0.14 -1.50 116.55 125.69 2kmx n ASP 1219Ca -0.07 -1.23 -0.15 0.00 0.52 0.00 0.00 54.79 53.85 2kmx n ASP 1219Cb 0.50 -1.90 -0.05 0.00 -0.72 0.00 0.00 41.12 38.95 2kmx n ASP 1219CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kmx n ASP 1220N -2.76 -4.79 -4.22 1.67 8.00 -1.26 -5.03 116.55 108.16 2kmx n ASP 1220Ca -0.28 0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.29 2kmx n ASP 1220Cb 0.67 -3.72 -0.12 0.00 -0.02 0.00 0.00 41.12 37.93 2kmx n ASP 1220CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kmx s GLU 1221N -3.72 0.95 0.42 -1.24 0.41 -0.57 -4.86 118.70 110.09 2kmx s GLU 1221Ca 0.00 -1.09 -0.24 0.00 -0.41 0.00 0.00 54.97 53.23 2kmx s GLU 1221Cb 0.00 -0.97 -0.08 0.00 -1.78 0.00 0.00 34.13 31.30 2kmx s GLU 1221CO 0.00 0.21 1.12 -0.51 -0.49 0.00 0.00 175.26 175.59 2kmx s LEU 1222N -2.00 4.12 0.00 1.80 1.43 -1.26 -0.34 118.68 122.43 2kmx s LEU 1222Ca 0.03 2.22 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 2kmx s LEU 1222Cb -0.08 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.99 2kmx s LEU 1222CO 0.03 -0.68 0.00 0.00 0.23 0.00 0.00 176.35 175.93 2kmx n GLY 1224N 2.98 0.80 3.12 0.00 0.00 -1.17 -0.76 105.19 110.15 2kmx n GLY 1224Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 2kmx n GLY 1224CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kmx s LEU 1225N 0.00 1.82 -0.03 0.99 2.34 -0.16 -1.25 118.68 122.38 2kmx s LEU 1225Ca 0.00 -0.56 0.04 0.00 0.06 0.00 0.00 54.13 53.67 2kmx s LEU 1225Cb 0.00 0.60 -0.00 0.00 -0.56 0.00 0.00 46.19 46.23 2kmx s LEU 1225CO 0.00 -0.52 -0.15 -0.63 -1.06 0.00 0.00 176.35 173.99 2kmx s ILE 1226N -2.72 1.24 -0.17 1.48 -1.09 -0.07 -1.03 121.20 118.84 2kmx s ILE 1226Ca -0.04 -0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 57.70 2kmx s ILE 1226Cb -0.01 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.77 2kmx s ILE 1226CO -0.05 0.36 0.02 0.00 -1.23 0.00 0.00 174.94 174.04 2kmx s ALA 1227N 0.01 3.24 -0.08 9.38 0.00 0.06 -1.86 121.76 132.51 2kmx s ALA 1227Ca -0.02 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2kmx s ALA 1227Cb -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.28 2kmx s ALA 1227CO 0.01 0.22 -0.19 0.42 0.00 0.00 0.00 175.76 176.22 2kmx s ILE 1228N 0.29 1.65 -0.17 0.00 1.09 -0.06 -0.82 121.20 123.19 2kmx s ILE 1228Ca 0.01 -0.79 0.14 0.00 -1.10 0.00 0.00 60.65 58.90 2kmx s ILE 1228Cb -0.13 -1.45 -0.24 0.00 -1.06 0.00 0.00 42.46 39.59 2kmx s ILE 1228CO 0.01 0.47 0.16 0.00 -0.10 0.00 0.00 174.94 175.49 2kmx n ALA 1229N 3.57 1.46 -1.30 9.38 0.00 0.23 -0.69 120.51 133.16 2kmx n ALA 1229Ca -0.20 -1.16 0.16 0.00 0.00 0.00 0.00 53.44 52.23 2kmx n ALA 1229Cb 0.52 -0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.57 2kmx n ALA 1229CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kmx n ASP 1230N -2.91 -7.24 0.00 0.00 -0.08 -1.18 -4.81 116.55 100.33 2kmx n ASP 1230Ca -0.31 1.22 0.10 0.00 -1.51 0.00 0.00 54.79 54.28 2kmx n ASP 1230Cb 1.11 -4.40 0.57 0.00 2.34 0.00 0.00 41.12 40.75 2kmx n ASP 1230CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67