#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k87 s GLU 1015N 0.00 3.98 0.59 -1.08 1.03 -1.26 -5.09 118.70 116.87 3k87 s GLU 1015Ca 0.00 -0.32 -0.18 0.00 0.03 0.00 0.00 54.97 54.50 3k87 s GLU 1015Cb 0.00 -3.24 -0.04 0.00 -0.80 0.00 0.00 34.13 30.06 3k87 s GLU 1015CO 0.00 0.30 1.15 0.95 -1.33 0.00 0.00 175.26 176.33 3k87 s THR 1016N 0.31 3.01 0.89 1.83 -4.23 -1.26 -5.00 115.64 111.20 3k87 s THR 1016Ca 0.04 0.59 -0.12 0.00 -1.18 0.00 0.00 61.69 61.02 3k87 s THR 1016Cb -0.12 -3.19 0.08 0.00 1.34 0.00 0.00 72.50 70.60 3k87 s THR 1016CO -0.00 -0.18 0.81 1.33 -0.54 0.00 0.00 174.62 176.04 3k87 n VAL 1017N -1.67 0.53 -2.04 2.29 0.24 -1.26 -4.95 118.33 111.48 3k87 n VAL 1017Ca 0.12 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.34 61.87 3k87 n VAL 1017Cb 0.51 -0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 32.00 3k87 n VAL 1017CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k87 s ALA 1018N -2.38 3.42 0.31 2.33 0.00 -1.26 -4.89 121.76 119.28 3k87 s ALA 1018Ca 0.64 1.31 0.07 0.00 0.00 0.00 0.00 51.96 53.97 3k87 s ALA 1018Cb -0.24 -3.51 0.84 0.00 0.00 0.00 0.00 23.12 20.21 3k87 s ALA 1018CO 0.60 -0.79 1.67 0.77 0.00 0.00 0.00 175.76 178.02 3k87 h SER 1019N 3.04 0.28 -0.25 0.00 0.02 -1.99 -0.76 113.55 113.89 3k87 h SER 1019Ca -0.50 0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.54 3k87 h SER 1019Cb 1.24 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 3k87 h SER 1019CO 0.64 -0.09 -0.17 0.15 -1.14 0.00 0.00 176.83 176.21 3k87 h PHE 1020N 0.32 0.77 0.00 3.45 3.04 -2.00 -1.58 116.94 120.94 3k87 h PHE 1020Ca 0.62 -0.15 -0.10 0.00 3.98 0.00 0.00 57.97 62.32 3k87 h PHE 1020Cb 1.28 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 3k87 h PHE 1020CO -0.14 0.82 -0.47 0.22 -2.02 0.00 0.00 178.31 176.72 3k87 h ASP 1021N 0.62 0.00 -0.05 0.41 -0.00 -1.62 -1.84 116.42 113.93 3k87 h ASP 1021Ca 0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 57.03 57.07 3k87 h ASP 1021Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.97 3k87 h ASP 1021CO 0.04 0.47 -0.20 0.15 -0.00 0.00 0.00 179.24 179.70 3k87 h PHE 1022N 0.00 0.31 -0.43 0.28 3.57 -0.37 -2.23 116.94 118.06 3k87 h PHE 1022Ca -0.00 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.28 3k87 h PHE 1022Cb 1.04 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 3k87 h PHE 1022CO 0.00 0.83 -0.07 0.00 -2.23 0.00 0.00 178.31 176.84 3k87 h ARG 1023N -0.30 0.75 -0.30 1.11 3.08 -1.33 -1.43 114.38 115.97 3k87 h ARG 1023Ca -0.01 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 3k87 h ARG 1023Cb 0.85 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3k87 h ARG 1023CO 0.04 0.81 0.09 0.22 -1.07 0.00 0.00 179.97 180.06 3k87 h ASP 1024N 0.69 0.43 -0.73 7.04 3.58 -1.36 -2.30 116.42 123.78 3k87 h ASP 1024Ca 0.12 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.35 3k87 h ASP 1024Cb 0.53 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 3k87 h ASP 1024CO 0.03 0.53 0.40 0.00 -2.88 0.00 0.00 179.24 177.31 3k87 h ALA 1025N 0.92 1.31 0.00 -0.78 0.00 -1.20 -2.64 119.26 116.87 3k87 h ALA 1025Ca 0.10 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3k87 h ALA 1025Cb 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k87 h ALA 1025CO -0.00 0.56 -0.34 -0.07 0.00 0.00 0.00 179.25 179.40 3k87 h LEU 1026N 1.03 0.00 -1.99 0.00 3.38 -0.90 -1.29 115.31 115.54 3k87 h LEU 1026Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3k87 h LEU 1026Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3k87 h LEU 1026CO -0.04 0.34 -0.10 0.77 0.09 0.00 0.00 178.44 179.50 3k87 h SER 1027N 0.00 0.00 1.12 -0.43 4.64 -1.04 -1.02 113.55 116.82 3k87 h SER 1027Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k87 h SER 1027Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3k87 h SER 1027CO 0.04 0.10 -0.16 0.29 -0.87 0.00 0.00 176.83 176.23 3k87 n LYS 1028N -3.65 0.16 -2.49 4.77 5.02 -0.49 -0.80 118.16 120.68 3k87 n LYS 1028Ca -0.02 0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 3k87 n LYS 1028Cb 0.22 -1.66 0.04 0.00 -0.02 0.00 0.00 35.03 33.61 3k87 n LYS 1028CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k87 s ALA 1029N -3.07 3.51 0.27 7.82 0.00 -0.39 -4.87 121.76 125.04 3k87 s ALA 1029Ca 0.11 -1.02 0.12 0.00 0.00 0.00 0.00 51.96 51.16 3k87 s ALA 1029Cb 0.15 -2.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.85 3k87 s ALA 1029CO 0.61 -0.89 -0.17 -1.54 0.00 0.00 0.00 175.76 173.77 3k87 s SER 1030N -4.40 3.74 0.11 0.00 1.04 -1.26 -4.44 113.70 108.49 3k87 s SER 1030Ca 0.56 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 3k87 s SER 1030Cb -0.10 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.61 3k87 s SER 1030CO 0.42 0.04 0.14 0.42 0.98 0.00 0.00 173.24 175.23 3k87 s THR 1031N -2.45 0.13 1.13 2.02 -4.23 -0.71 -4.99 115.64 106.55 3k87 s THR 1031Ca 0.30 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 59.11 3k87 s THR 1031Cb -0.05 -1.65 0.26 0.00 1.34 0.00 0.00 72.50 72.39 3k87 s THR 1031CO 0.16 -0.60 1.14 -2.16 -0.54 0.00 0.00 174.62 172.61 3k87 s PRO 1032N -3.94 -0.68 -0.10 3.99 0.04 -1.26 -1.00 135.00 132.06 3k87 s PRO 1032Ca 0.12 -0.04 0.03 0.00 0.04 0.00 0.00 61.00 61.15 3k87 s PRO 1032Cb 0.06 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.95 3k87 s PRO 1032CO -0.05 -3.36 -0.17 0.08 0.04 0.00 0.00 177.00 173.54 3k87 s VAL 1033N -3.14 1.58 0.28 -0.36 1.01 -1.14 -4.58 120.40 114.06 3k87 s VAL 1033Ca 0.70 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3k87 s VAL 1033Cb -0.10 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 3k87 s VAL 1033CO 0.56 0.46 -0.11 0.42 0.00 0.00 0.00 175.10 176.42 3k87 s THR 1034N 0.71 1.98 -0.17 3.92 -4.23 0.57 -1.71 115.64 116.71 3k87 s THR 1034Ca -0.12 -2.22 -0.03 0.00 -1.18 0.00 0.00 61.69 58.14 3k87 s THR 1034Cb -0.16 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 3k87 s THR 1034CO 0.03 -0.35 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.01 3k87 s VAL 1035N -2.80 3.53 -0.21 2.29 1.01 0.46 -0.73 120.40 123.95 3k87 s VAL 1035Ca 0.29 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 3k87 s VAL 1035Cb 0.01 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 3k87 s VAL 1035CO 0.13 0.47 0.13 0.54 0.00 0.00 0.00 175.10 176.37 3k87 s VAL 1036N 0.78 5.24 0.25 2.92 0.11 -0.24 -0.86 120.40 128.59 3k87 s VAL 1036Ca -0.02 0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.21 3k87 s VAL 1036Cb -0.15 -3.41 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 3k87 s VAL 1036CO 0.02 0.40 -0.02 0.00 -3.33 0.00 0.00 175.10 172.17 3k87 s ALA 1037N 0.67 1.98 0.10 1.54 0.00 -0.70 -1.24 121.76 124.11 3k87 s ALA 1037Ca 0.07 -1.81 -0.21 0.00 0.00 0.00 0.00 51.96 50.01 3k87 s ALA 1037Cb -0.12 0.38 0.05 0.00 0.00 0.00 0.00 23.12 23.43 3k87 s ALA 1037CO 0.01 -0.19 0.51 -0.08 0.00 0.00 0.00 175.76 176.01 3k87 s THR 1038N -3.29 0.03 0.21 0.00 -1.32 -0.24 0.02 115.64 111.06 3k87 s THR 1038Ca 0.28 -0.27 -0.21 0.00 -1.21 0.00 0.00 61.69 60.29 3k87 s THR 1038Cb 0.05 -1.04 0.05 0.00 -1.51 0.00 0.00 72.50 70.05 3k87 s THR 1038CO 0.10 -0.15 0.63 0.21 -2.21 0.00 0.00 174.62 173.20 3k87 s ASN 1039N -2.42 -0.41 0.00 8.08 3.04 -1.25 -2.27 114.94 119.71 3k87 s ASN 1039Ca -0.01 -0.30 0.00 0.00 0.04 0.00 0.00 52.86 52.59 3k87 s ASN 1039Cb -0.00 0.65 0.00 0.00 -1.54 0.00 0.00 41.25 40.36 3k87 s ASN 1039CO -0.08 -1.12 0.00 0.61 -3.04 0.00 0.00 177.10 173.47 3k87 n GLY 1040N -0.40 0.28 0.31 1.21 0.00 -1.23 -4.30 105.19 101.06 3k87 n GLY 1040Ca -0.11 -1.57 0.17 0.00 0.00 0.00 0.00 46.02 44.51 3k87 n GLY 1040CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k87 h PRO 1041N 0.90 0.00 -0.02 1.61 0.11 -1.94 -0.30 132.00 132.37 3k87 h PRO 1041Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3k87 h PRO 1041Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3k87 h PRO 1041CO 0.00 0.01 -0.31 1.19 -0.21 0.00 0.00 178.00 178.68 3k87 n PHE 1042N -3.62 0.00 0.00 0.65 3.01 -1.26 -5.06 117.46 111.18 3k87 n PHE 1042Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 3k87 n PHE 1042Cb 0.09 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 3k87 n PHE 1042CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k87 n GLY 1043N 1.37 -1.20 3.66 1.37 0.00 -0.12 -4.95 105.19 105.32 3k87 n GLY 1043Ca 0.12 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3k87 n GLY 1043CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k87 s LEU 1044N 0.00 3.73 0.15 0.99 2.96 -1.26 -3.55 118.68 121.69 3k87 s LEU 1044Ca 0.00 0.12 -0.25 0.00 -0.22 0.00 0.00 54.13 53.79 3k87 s LEU 1044Cb 0.00 -1.90 0.06 0.00 0.50 0.00 0.00 46.19 44.85 3k87 s LEU 1044CO 0.00 0.27 0.84 0.00 -1.32 0.00 0.00 176.35 176.14 3k87 s ALA 1045N -0.24 -1.59 -0.18 5.97 0.00 -0.96 -4.65 121.76 120.12 3k87 s ALA 1045Ca 0.07 0.28 -0.33 0.00 0.00 0.00 0.00 51.96 51.98 3k87 s ALA 1045Cb -0.12 0.68 0.14 0.00 0.00 0.00 0.00 23.12 23.81 3k87 s ALA 1045CO 0.02 -0.92 1.15 0.20 0.00 0.00 0.00 175.76 176.21 3k87 s GLY 1046N -2.81 -0.25 0.11 0.00 0.00 -1.26 -1.08 107.32 102.03 3k87 s GLY 1046Ca 0.09 1.79 -0.14 0.00 0.00 0.00 0.00 44.72 46.45 3k87 s GLY 1046CO -0.02 0.68 0.34 0.48 0.00 0.00 0.00 173.10 174.58 3k87 s LEU 1047N -1.86 0.71 0.05 0.66 2.34 -0.37 -4.83 118.68 115.38 3k87 s LEU 1047Ca 0.07 -0.42 -0.29 0.00 0.06 0.00 0.00 54.13 53.55 3k87 s LEU 1047Cb -0.01 1.59 -0.05 0.00 -0.56 0.00 0.00 46.19 47.17 3k87 s LEU 1047CO -0.05 -0.82 0.91 -0.89 -1.06 0.00 0.00 176.35 174.45 3k87 s THR 1048N -3.82 4.71 -0.05 5.48 2.01 -0.57 -1.08 115.64 122.33 3k87 s THR 1048Ca 0.04 1.94 -0.02 0.00 0.31 0.00 0.00 61.69 63.96 3k87 s THR 1048Cb 0.03 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.31 3k87 s THR 1048CO -0.12 0.27 0.08 0.00 -0.69 0.00 0.00 174.62 174.16 3k87 n SER 1050N 4.84 1.44 -4.02 0.00 3.41 -1.26 -0.31 113.62 117.71 3k87 n SER 1050Ca -0.14 -0.08 -0.43 0.00 -0.26 0.00 0.00 58.87 57.96 3k87 n SER 1050Cb 0.50 1.63 0.00 0.00 -0.26 0.00 0.00 64.21 66.08 3k87 n SER 1050CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k87 n ALA 1051N -1.96 4.92 -2.74 7.33 0.00 -1.26 -4.69 120.51 122.12 3k87 n ALA 1051Ca -0.02 -4.08 -0.17 0.00 0.00 0.00 0.00 53.44 49.17 3k87 n ALA 1051Cb 0.38 -3.29 -0.14 0.00 0.00 0.00 0.00 19.45 16.40 3k87 n ALA 1051CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k87 s VAL 1052N 2.15 0.56 0.21 0.00 1.01 -1.26 -1.43 120.40 121.64 3k87 s VAL 1052Ca 0.45 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 3k87 s VAL 1052Cb 0.08 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 36.02 3k87 s VAL 1052CO -0.02 0.09 0.62 0.00 0.00 0.00 0.00 175.10 175.80 3k87 s SER 1054N -2.83 6.13 -0.08 0.00 0.15 -1.26 -1.04 113.70 114.77 3k87 s SER 1054Ca 0.06 2.36 -0.10 0.00 0.70 0.00 0.00 55.95 58.97 3k87 s SER 1054Cb -0.03 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3k87 s SER 1054CO -0.04 -0.95 -0.20 0.52 1.20 0.00 0.00 173.24 173.77 3k87 n VAL 1055N -0.46 1.29 -3.67 4.45 0.31 0.28 -4.84 118.33 115.70 3k87 n VAL 1055Ca 0.07 0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.47 3k87 n VAL 1055Cb 0.47 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.41 3k87 n VAL 1055CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k87 n ASP 1057N -0.38 0.87 -3.58 0.00 3.85 -1.26 -1.34 116.55 114.70 3k87 n ASP 1057Ca -0.11 -0.77 -0.28 0.00 -0.71 0.00 0.00 54.79 52.92 3k87 n ASP 1057Cb 0.62 0.74 -0.16 0.00 -1.35 0.00 0.00 41.12 40.98 3k87 n ASP 1057CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3k87 s ARG 1058N -2.98 0.17 0.51 0.11 3.52 -1.26 -2.15 118.95 116.86 3k87 s ARG 1058Ca 0.09 -0.36 -0.21 0.00 -0.13 0.00 0.00 55.73 55.13 3k87 s ARG 1058Cb 0.17 -1.48 -0.07 0.00 -1.56 0.00 0.00 34.95 32.01 3k87 s ARG 1058CO 0.81 -0.87 1.13 -2.14 -0.81 0.00 0.00 175.30 173.42 3k87 s PRO 1059N 2.10 3.52 -0.11 5.12 0.02 -1.26 -5.03 135.00 139.35 3k87 s PRO 1059Ca 0.06 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.44 3k87 s PRO 1059Cb -0.16 -2.15 -0.06 0.00 0.02 0.00 0.00 34.50 32.15 3k87 s PRO 1059CO -0.25 -0.72 2.05 -1.25 -0.33 0.00 0.00 177.00 176.51 3k87 s PRO 1060N -3.08 3.61 -0.02 5.54 0.04 -0.92 -4.69 135.00 135.49 3k87 s PRO 1060Ca 0.69 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.97 3k87 s PRO 1060Cb -0.25 -4.25 0.02 0.00 0.04 0.00 0.00 34.50 30.06 3k87 s PRO 1060CO 0.29 -1.55 0.01 0.99 0.04 0.00 0.00 177.00 176.78 3k87 s THR 1061N 6.41 0.06 0.40 1.26 2.01 -0.45 -1.16 115.64 124.17 3k87 s THR 1061Ca 0.93 0.09 0.07 0.00 0.31 0.00 0.00 61.69 63.09 3k87 s THR 1061Cb -0.36 -0.14 -0.07 0.00 0.01 0.00 0.00 72.50 71.94 3k87 s THR 1061CO 0.37 0.09 0.05 0.68 -0.69 0.00 0.00 174.62 175.11 3k87 s VAL 1062N 0.72 2.15 0.09 3.82 -7.23 -0.51 -0.56 120.40 118.89 3k87 s VAL 1062Ca -0.06 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3k87 s VAL 1062Cb -0.09 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3k87 s VAL 1062CO -0.02 -0.04 -0.11 -1.48 -0.31 0.00 0.00 175.10 173.15 3k87 s LEU 1063N -3.75 2.37 -0.01 1.32 0.05 -0.21 -0.80 118.68 117.66 3k87 s LEU 1063Ca 0.36 -0.76 -0.02 0.00 0.05 0.00 0.00 54.13 53.76 3k87 s LEU 1063Cb 0.07 -0.34 -0.00 0.00 -2.05 0.00 0.00 46.19 43.87 3k87 s LEU 1063CO 0.19 -0.22 0.05 -1.48 -0.55 0.00 0.00 176.35 174.34 3k87 s LEU 1064N -2.27 1.86 -0.18 1.48 0.05 -0.29 -1.60 118.68 117.73 3k87 s LEU 1064Ca 0.03 -0.05 -0.02 0.00 0.05 0.00 0.00 54.13 54.14 3k87 s LEU 1064Cb -0.05 0.22 -0.00 0.00 -2.05 0.00 0.00 46.19 44.31 3k87 s LEU 1064CO 0.01 -0.12 -0.10 0.00 -0.55 0.00 0.00 176.35 175.58 3k87 s ILE 1066N 1.10 0.27 0.02 0.00 1.10 -0.18 -4.72 121.20 118.79 3k87 s ILE 1066Ca 0.00 -0.02 -0.33 0.00 -0.51 0.00 0.00 60.65 59.80 3k87 s ILE 1066Cb -0.15 -0.32 -0.11 0.00 0.15 0.00 0.00 42.46 42.03 3k87 s ILE 1066CO -0.03 0.14 1.84 -3.20 -2.11 0.00 0.00 174.94 171.58 3k87 n ASN 1067N 3.81 3.62 0.00 4.50 2.85 -1.26 -0.79 115.26 127.99 3k87 n ASN 1067Ca -0.23 0.98 0.04 0.00 -0.11 0.00 0.00 54.58 55.27 3k87 n ASN 1067Cb 0.53 -1.44 0.20 0.00 1.24 0.00 0.00 39.78 40.31 3k87 n ASN 1067CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 3k87 n ARG 1068N 6.02 0.01 0.05 1.20 1.85 -0.74 -2.88 116.66 122.18 3k87 n ARG 1068Ca 0.20 0.33 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 3k87 n ARG 1068Cb 0.33 -1.50 0.42 0.00 -1.05 0.00 0.00 32.46 30.65 3k87 n ARG 1068CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3k87 n LYS 1069N -1.49 0.16 -2.48 2.89 2.85 -1.26 -4.63 118.16 114.20 3k87 n LYS 1069Ca 0.02 0.11 -0.34 0.00 -1.05 0.00 0.00 58.31 57.05 3k87 n LYS 1069Cb 0.11 -1.66 -0.03 0.00 -0.65 0.00 0.00 35.03 32.80 3k87 n LYS 1069CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3k87 s SER 1070N -3.86 6.24 0.17 -5.58 1.04 -1.14 -4.96 113.70 105.62 3k87 s SER 1070Ca 0.11 1.99 -0.22 0.00 0.48 0.00 0.00 55.95 58.32 3k87 s SER 1070Cb 0.15 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.79 3k87 s SER 1070CO 0.61 -0.85 1.59 0.22 0.98 0.00 0.00 173.24 175.79 3k87 h TYR 1071N 1.56 -0.89 -0.68 5.02 -0.00 -1.92 -2.45 116.97 117.61 3k87 h TYR 1071Ca -0.50 0.06 -0.05 0.00 -0.00 0.00 0.00 58.73 58.24 3k87 h TYR 1071Cb 1.23 0.46 -0.03 0.00 -0.00 0.00 0.00 36.73 38.39 3k87 h TYR 1071CO 0.56 -0.38 0.21 0.00 -0.00 0.00 0.00 178.16 178.55 3k87 h ALA 1072N 0.89 1.09 -0.50 1.82 0.00 -1.93 -2.51 119.26 118.12 3k87 h ALA 1072Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k87 h ALA 1072Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3k87 h ALA 1072CO -0.60 0.62 0.29 0.00 0.00 0.00 0.00 179.25 179.57 3k87 h ALA 1073N 1.22 0.64 -0.41 0.00 0.00 -1.73 0.34 119.26 119.31 3k87 h ALA 1073Ca 0.22 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3k87 h ALA 1073Cb 0.29 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3k87 h ALA 1073CO -0.01 0.14 -0.04 0.78 0.00 0.00 0.00 179.25 180.13 3k87 h GLY 1074N 0.67 0.37 0.68 0.00 0.00 -1.03 -1.23 103.07 102.53 3k87 h GLY 1074Ca 0.18 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3k87 h GLY 1074CO -0.03 -0.13 -0.06 -2.22 0.00 0.00 0.00 176.54 174.10 3k87 h ILE 1075N 0.07 1.34 -0.35 2.60 1.08 -1.14 -2.71 117.51 118.40 3k87 h ILE 1075Ca 0.20 -1.13 0.07 0.00 -0.39 0.00 0.00 64.86 63.61 3k87 h ILE 1075Cb 0.30 1.88 -0.07 0.00 -3.07 0.00 0.00 36.82 35.87 3k87 h ILE 1075CO -0.37 0.32 -0.09 0.40 -0.69 0.00 0.00 178.15 177.72 3k87 h ILE 1076N -0.17 0.65 -0.30 -0.67 2.04 -0.76 0.12 117.51 118.42 3k87 h ILE 1076Ca 0.02 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3k87 h ILE 1076Cb 0.54 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3k87 h ILE 1076CO 0.02 0.00 -0.14 0.11 0.00 0.00 0.00 178.15 178.13 3k87 h LYS 1077N -0.00 0.52 0.08 2.37 1.57 -1.27 -0.72 116.57 119.12 3k87 h LYS 1077Ca 0.17 -0.16 -0.26 0.00 -1.87 0.00 0.00 60.65 58.53 3k87 h LYS 1077Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3k87 h LYS 1077CO -0.36 0.66 -1.21 0.77 -0.57 0.00 0.00 179.45 178.74 3k87 h SER 1078N 0.48 0.28 -0.11 0.86 0.02 -1.08 -3.25 113.55 110.74 3k87 h SER 1078Ca 0.08 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 3k87 h SER 1078Cb 0.53 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3k87 h SER 1078CO 0.03 1.25 -0.18 0.78 -1.14 0.00 0.00 176.83 177.57 3k87 h ASN 1079N 0.05 0.49 0.00 3.07 -0.26 -0.64 -3.47 115.58 114.81 3k87 h ASN 1079Ca -0.11 -0.14 0.00 0.00 -0.56 0.00 0.00 56.30 55.49 3k87 h ASN 1079Cb 1.92 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 39.04 3k87 h ASN 1079CO 0.17 0.68 0.00 0.61 -1.06 0.00 0.00 177.43 177.84 3k87 n GLY 1080N -0.52 0.88 3.11 2.83 0.00 -0.29 -4.96 105.19 106.25 3k87 n GLY 1080Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3k87 n GLY 1080CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k87 s VAL 1081N -3.53 0.60 0.14 1.61 -7.23 -1.26 -0.92 120.40 109.82 3k87 s VAL 1081Ca 0.00 -1.51 -0.25 0.00 -1.81 0.00 0.00 61.98 58.41 3k87 s VAL 1081Cb 0.00 -1.15 0.06 0.00 0.56 0.00 0.00 36.38 35.85 3k87 s VAL 1081CO 0.00 -0.64 0.82 -1.48 -0.31 0.00 0.00 175.10 173.49 3k87 s LEU 1082N -2.33 -0.32 0.07 1.32 0.05 -0.82 -4.64 118.68 112.01 3k87 s LEU 1082Ca 0.01 -0.27 0.08 0.00 0.05 0.00 0.00 54.13 54.00 3k87 s LEU 1082Cb -0.02 2.34 -0.03 0.00 -2.05 0.00 0.00 46.19 46.43 3k87 s LEU 1082CO -0.02 -0.95 -0.23 -0.94 -0.55 0.00 0.00 176.35 173.66 3k87 s SER 1083N -2.79 2.73 -0.18 1.48 1.04 0.10 -1.16 113.70 114.92 3k87 s SER 1083Ca 0.08 -0.60 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 3k87 s SER 1083Cb -0.02 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 3k87 s SER 1083CO -0.02 0.16 -0.07 -0.69 0.98 0.00 0.00 173.24 173.60 3k87 s VAL 1084N -0.90 3.38 -0.36 5.02 1.01 -0.46 -1.73 120.40 126.37 3k87 s VAL 1084Ca 0.09 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3k87 s VAL 1084Cb -0.09 -2.50 0.11 0.00 0.00 0.00 0.00 36.38 33.90 3k87 s VAL 1084CO 0.03 0.47 0.12 0.20 0.00 0.00 0.00 175.10 175.92 3k87 s ASN 1085N 0.93 4.16 -0.15 3.32 0.01 -0.04 -0.98 114.94 122.19 3k87 s ASN 1085Ca -0.01 -2.07 -0.29 0.00 -0.71 0.00 0.00 52.86 49.78 3k87 s ASN 1085Cb -0.15 -1.15 -0.03 0.00 0.41 0.00 0.00 41.25 40.34 3k87 s ASN 1085CO 0.01 -0.36 1.41 0.26 -1.51 0.00 0.00 177.10 176.90 3k87 s TRP 1086N 1.05 2.52 0.39 2.20 0.51 -0.11 -0.41 118.94 125.09 3k87 s TRP 1086Ca 0.12 0.72 -0.23 0.00 -2.12 0.00 0.00 56.10 54.60 3k87 s TRP 1086Cb -0.20 -3.70 -0.11 0.00 -0.81 0.00 0.00 33.47 28.66 3k87 s TRP 1086CO -0.14 -2.42 0.95 -0.51 -0.51 0.00 0.00 176.95 174.32 3k87 s LEU 1087N 3.88 4.10 0.56 2.99 1.02 -0.69 -0.65 118.68 129.89 3k87 s LEU 1087Ca 0.62 1.75 -0.07 0.00 0.02 0.00 0.00 54.13 56.45 3k87 s LEU 1087Cb -0.25 -4.33 -0.02 0.00 0.02 0.00 0.00 46.19 41.62 3k87 s LEU 1087CO 0.21 -0.24 0.89 0.00 0.02 0.00 0.00 176.35 177.22 3k87 s ALA 1088N -1.95 3.28 0.46 4.21 0.00 -1.26 -1.23 121.76 125.28 3k87 s ALA 1088Ca 0.57 -0.51 0.30 0.00 0.00 0.00 0.00 51.96 52.32 3k87 s ALA 1088Cb -0.13 -2.69 1.37 0.00 0.00 0.00 0.00 23.12 21.67 3k87 s ALA 1088CO 0.17 -0.63 1.72 0.00 0.00 0.00 0.00 175.76 177.02 3k87 h ALA 1089N -0.07 2.76 -0.18 0.00 0.00 -0.43 -2.10 119.26 119.25 3k87 h ALA 1089Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3k87 h ALA 1089Cb 1.23 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3k87 h ALA 1089CO 0.61 -1.24 0.00 0.41 0.00 0.00 0.00 179.25 179.04 3k87 n GLY 1090N -1.60 0.21 0.40 0.00 0.00 -1.26 -4.26 105.19 98.67 3k87 n GLY 1090Ca 0.31 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.20 3k87 n GLY 1090CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k87 n GLN 1091N 0.06 1.49 -0.11 1.61 6.02 -0.79 -4.69 117.38 120.98 3k87 n GLN 1091Ca 0.06 -2.99 0.02 0.00 -0.01 0.00 0.00 57.00 54.08 3k87 n GLN 1091Cb 0.21 -1.58 0.33 0.00 1.02 0.00 0.00 30.24 30.23 3k87 n GLN 1091CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k87 h ALA 1092N 0.59 1.58 -0.87 -1.58 0.00 -1.79 -0.91 119.26 116.28 3k87 h ALA 1092Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3k87 h ALA 1092Cb 1.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 3k87 h ALA 1092CO 0.01 0.39 0.46 0.28 0.00 0.00 0.00 179.25 180.39 3k87 h VAL 1093N 0.79 1.26 -0.27 0.00 2.07 -1.95 -0.11 116.25 118.02 3k87 h VAL 1093Ca 0.21 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3k87 h VAL 1093Cb -0.09 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.75 3k87 h VAL 1093CO -0.05 0.30 0.06 0.40 0.02 0.00 0.00 177.57 178.30 3k87 h ILE 1094N 1.22 0.87 -0.71 4.57 2.04 -1.54 -0.04 117.51 123.92 3k87 h ILE 1094Ca 0.30 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 66.19 3k87 h ILE 1094Cb 0.06 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 3k87 h ILE 1094CO -0.05 0.03 0.37 -1.28 0.00 0.00 0.00 178.15 177.23 3k87 h SER 1095N 0.16 0.51 -0.55 1.72 0.87 -0.92 -1.24 113.55 114.10 3k87 h SER 1095Ca 0.13 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.66 3k87 h SER 1095Cb 0.13 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3k87 h SER 1095CO -0.16 0.30 0.04 1.56 -0.53 0.00 0.00 176.83 178.04 3k87 h GLN 1096N 0.65 0.94 -0.29 2.24 1.08 -0.62 -1.55 115.11 117.55 3k87 h GLN 1096Ca 0.34 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3k87 h GLN 1096Cb 0.32 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3k87 h GLN 1096CO -0.24 0.93 0.16 1.15 -0.95 0.00 0.00 178.83 179.87 3k87 h THR 1097N 0.82 1.13 0.00 -0.54 2.02 -0.11 -0.68 112.91 115.55 3k87 h THR 1097Ca 0.16 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3k87 h THR 1097Cb 0.48 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3k87 h THR 1097CO 0.02 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.54 3k87 n PHE 1098N -4.81 0.00 1.08 3.16 3.72 -0.55 -1.87 117.46 118.19 3k87 n PHE 1098Ca -0.02 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.50 3k87 n PHE 1098Cb 0.08 -0.29 0.12 0.00 -0.94 0.00 0.00 39.48 38.46 3k87 n PHE 1098CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k87 n ALA 1099N -1.29 3.59 -0.37 4.37 0.00 -0.60 -1.50 120.51 124.71 3k87 n ALA 1099Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3k87 n ALA 1099Cb 0.20 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3k87 n ALA 1099CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k87 n GLY 1100N 1.41 0.77 3.71 0.00 0.00 -0.78 -5.00 105.19 105.30 3k87 n GLY 1100Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3k87 n GLY 1100CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k87 s VAL 1101N -2.27 2.19 0.00 1.61 1.01 -0.30 -1.44 120.40 121.20 3k87 s VAL 1101Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3k87 s VAL 1101Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3k87 s VAL 1101CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3k87 n GLY 1102N 4.00 0.96 3.92 4.51 0.00 -1.26 -4.35 105.19 112.97 3k87 n GLY 1102Ca 0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3k87 n GLY 1102CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k87 n SER 1103N 0.00 -0.81 -4.68 1.61 7.64 -0.52 -4.87 113.62 111.99 3k87 n SER 1103Ca 0.00 -0.96 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 3k87 n SER 1103Cb 0.00 -3.26 -0.03 0.00 -1.01 0.00 0.00 64.21 59.92 3k87 n SER 1103CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k87 s VAL 1104N -3.84 4.15 0.38 0.44 1.01 -1.26 -4.95 120.40 116.33 3k87 s VAL 1104Ca 0.07 1.46 -0.27 0.00 0.00 0.00 0.00 61.98 63.25 3k87 s VAL 1104Cb -0.04 -3.94 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 3k87 s VAL 1104CO 0.87 -0.04 1.27 -2.65 0.00 0.00 0.00 175.10 174.56 3k87 n PRO 1105N 5.63 2.00 -0.18 2.72 -0.02 -1.26 -4.83 135.00 139.06 3k87 n PRO 1105Ca 0.12 0.71 -0.05 0.00 -2.02 0.00 0.00 63.50 62.26 3k87 n PRO 1105Cb 0.45 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3k87 n PRO 1105CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3k87 h MET 1106N 2.28 -0.15 0.00 -0.52 4.05 -1.95 0.30 114.93 118.94 3k87 h MET 1106Ca -0.47 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 3k87 h MET 1106Cb 1.29 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 3k87 h MET 1106CO 0.61 -0.10 0.00 0.39 0.23 0.00 0.00 176.91 178.04 3k87 n GLU 1107N -5.43 0.14 -0.01 0.39 1.02 -1.26 -2.22 120.64 113.26 3k87 n GLU 1107Ca 0.04 0.21 0.13 0.00 -0.02 0.00 0.00 57.16 57.52 3k87 n GLU 1107Cb 0.34 -1.69 0.66 0.00 -0.02 0.00 0.00 31.44 30.73 3k87 n GLU 1107CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3k87 n GLU 1108N -1.94 1.26 0.09 3.49 1.02 0.09 -4.11 120.64 120.53 3k87 n GLU 1108Ca 0.05 -0.38 0.13 0.00 -0.02 0.00 0.00 57.16 56.93 3k87 n GLU 1108Cb 0.32 -1.43 0.39 0.00 -0.02 0.00 0.00 31.44 30.71 3k87 n GLU 1108CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k87 n ARG 1109N -0.48 0.23 -0.55 3.49 1.74 -0.94 -3.82 116.66 116.33 3k87 n ARG 1109Ca 0.19 0.17 0.03 0.00 -0.77 0.00 0.00 57.85 57.47 3k87 n ARG 1109Cb 0.19 -1.75 0.22 0.00 -1.02 0.00 0.00 32.46 30.09 3k87 n ARG 1109CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3k87 n PHE 1110N -2.15 0.84 -2.45 -1.55 3.72 -1.26 -4.86 117.46 109.76 3k87 n PHE 1110Ca 0.05 -1.22 -0.43 0.00 -0.05 0.00 0.00 57.45 55.81 3k87 n PHE 1110Cb 0.42 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 3k87 n PHE 1110CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k87 n ALA 1111N -0.92 4.47 -3.65 4.37 0.00 -1.25 -4.86 120.51 118.69 3k87 n ALA 1111Ca 0.25 -4.07 -0.03 0.00 0.00 0.00 0.00 53.44 49.59 3k87 n ALA 1111Cb 0.91 -3.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 3k87 n ALA 1111CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3k87 s ASP 1112N 2.87 -0.07 0.55 0.00 1.47 -1.26 -5.02 116.67 115.20 3k87 s ASP 1112Ca 0.46 0.13 0.11 0.00 1.18 0.00 0.00 52.55 54.43 3k87 s ASP 1112Cb 0.06 0.13 0.61 0.00 -0.34 0.00 0.00 42.92 43.37 3k87 s ASP 1112CO 0.01 -0.03 1.28 0.11 0.68 0.00 0.00 175.17 177.21 3k87 h LYS 1113N 2.99 0.00 0.00 2.11 1.79 -2.04 -2.06 116.57 119.36 3k87 h LYS 1113Ca -0.24 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.22 3k87 h LYS 1113Cb 1.19 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3k87 h LYS 1113CO 0.19 0.00 -0.08 0.78 -1.08 0.00 0.00 179.45 179.26 3k87 h GLY 1114N 0.00 0.00 -6.41 3.86 0.00 -1.94 -3.40 103.07 95.18 3k87 h GLY 1114Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3k87 h GLY 1114CO 0.00 0.00 -0.14 -0.98 0.00 0.00 0.00 176.54 175.42 3k87 s TRP 1115N -4.74 3.36 0.18 5.60 0.52 -0.78 -0.53 118.94 122.56 3k87 s TRP 1115Ca -0.04 0.65 0.00 0.00 0.02 0.00 0.00 56.10 56.73 3k87 s TRP 1115Cb 0.16 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 3k87 s TRP 1115CO 0.65 -0.07 0.07 -0.65 0.02 0.00 0.00 176.95 176.96 3k87 s GLN 1116N 1.52 1.13 0.30 4.98 -0.21 -0.50 -4.89 119.66 121.99 3k87 s GLN 1116Ca 0.21 -1.57 -0.17 0.00 0.02 0.00 0.00 55.36 53.85 3k87 s GLN 1116Cb -0.15 0.02 -0.09 0.00 1.00 0.00 0.00 33.01 33.79 3k87 s GLN 1116CO 0.09 -0.26 0.75 0.99 -2.12 0.00 0.00 175.29 174.73 3k87 s THR 1117N -3.92 4.63 0.00 -0.19 2.01 -1.26 0.55 115.64 117.45 3k87 s THR 1117Ca 0.30 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.38 3k87 s THR 1117Cb 0.07 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.90 3k87 s THR 1117CO 0.07 -0.08 0.00 -0.38 -0.69 0.00 0.00 174.62 173.53 3k87 n ILE 1118N -0.08 0.00 -0.08 1.82 5.41 -1.26 -4.92 119.36 120.25 3k87 n ILE 1118Ca 0.02 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.61 3k87 n ILE 1118Cb 0.53 -0.36 -0.06 0.00 -0.71 0.00 0.00 39.64 39.04 3k87 n ILE 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k87 n ALA 1119N -1.34 1.92 0.13 -1.39 0.00 -1.26 -4.79 120.51 113.78 3k87 n ALA 1119Ca 0.00 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 52.92 3k87 n ALA 1119Cb 0.00 0.27 0.03 0.00 0.00 0.00 0.00 19.45 19.75 3k87 n ALA 1119CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3k87 h THR 1120N -0.48 0.03 0.00 0.00 1.35 -1.94 -3.47 112.91 108.39 3k87 h THR 1120Ca -0.39 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 3k87 h THR 1120Cb 1.38 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 3k87 h THR 1120CO -0.22 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 3k87 n GLY 1121N 1.17 3.26 3.76 5.82 0.00 -1.26 -5.00 105.19 112.94 3k87 n GLY 1121Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3k87 n GLY 1121CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k87 s ALA 1122N -2.82 2.98 0.09 4.61 0.00 -1.26 -4.41 121.76 120.96 3k87 s ALA 1122Ca 0.00 1.32 -0.31 0.00 0.00 0.00 0.00 51.96 52.97 3k87 s ALA 1122Cb 0.00 -3.55 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 3k87 s ALA 1122CO 0.00 -1.20 1.47 -2.14 0.00 0.00 0.00 175.76 173.89 3k87 s PRO 1123N -2.71 4.27 -0.14 0.00 0.02 -1.26 -4.35 135.00 130.83 3k87 s PRO 1123Ca 0.67 2.14 -0.05 0.00 0.02 0.00 0.00 61.00 63.78 3k87 s PRO 1123Cb -0.40 -3.36 -0.04 0.00 0.02 0.00 0.00 34.50 30.72 3k87 s PRO 1123CO 0.49 -0.55 0.04 0.71 -0.33 0.00 0.00 177.00 177.36 3k87 s TYR 1124N 1.66 3.23 -0.64 6.54 2.02 0.19 -4.62 117.35 125.73 3k87 s TYR 1124Ca 0.67 0.10 -0.25 0.00 -0.37 0.00 0.00 57.07 57.22 3k87 s TYR 1124Cb -0.37 -1.96 0.05 0.00 -0.40 0.00 0.00 41.96 39.27 3k87 s TYR 1124CO 0.30 0.28 1.07 0.50 -1.57 0.00 0.00 175.55 176.13 3k87 s ARG 1125N -0.15 3.25 0.52 -0.62 6.06 -1.26 -1.41 118.95 125.35 3k87 s ARG 1125Ca 0.06 -0.36 0.32 0.00 -2.50 0.00 0.00 55.73 53.25 3k87 s ARG 1125Cb -0.12 -4.13 1.23 0.00 0.06 0.00 0.00 34.95 31.99 3k87 s ARG 1125CO 0.02 -1.79 1.93 0.52 -2.50 0.00 0.00 175.30 173.48 3k87 h MET 1126N 9.61 0.00 -0.45 5.12 2.86 -1.16 -2.36 114.93 128.54 3k87 h MET 1126Ca -0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3k87 h MET 1126Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3k87 h MET 1126CO 1.18 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.75 3k87 n ASP 1127N -3.03 4.83 -4.81 1.22 5.68 -1.26 -4.07 116.55 115.10 3k87 n ASP 1127Ca 0.01 -2.89 -0.33 0.00 -0.50 0.00 0.00 54.79 51.09 3k87 n ASP 1127Cb 0.33 -0.60 -0.00 0.00 -1.14 0.00 0.00 41.12 39.70 3k87 n ASP 1127CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k87 s ALA 1128N -2.64 2.83 0.21 2.12 0.00 -0.89 -4.70 121.76 118.68 3k87 s ALA 1128Ca 0.48 0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 3k87 s ALA 1128Cb 0.37 -3.20 0.23 0.00 0.00 0.00 0.00 23.12 20.52 3k87 s ALA 1128CO 0.14 -0.66 1.81 0.00 0.00 0.00 0.00 175.76 177.05 3k87 h ALA 1129N 0.56 0.88 -3.64 0.00 0.00 -1.15 -0.87 119.26 115.05 3k87 h ALA 1129Ca -0.47 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 3k87 h ALA 1129Cb 1.21 -0.13 -0.31 0.00 0.00 0.00 0.00 17.79 18.56 3k87 h ALA 1129CO 0.58 0.06 -0.73 0.08 0.00 0.00 0.00 179.25 179.24 3k87 s VAL 1130N -6.10 0.03 -0.08 0.00 1.01 -1.17 -3.85 120.40 110.24 3k87 s VAL 1130Ca -0.13 0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3k87 s VAL 1130Cb 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.46 3k87 s VAL 1130CO 0.76 0.06 -0.11 -0.55 0.00 0.00 0.00 175.10 175.26 3k87 s SER 1131N 0.50 1.87 -0.17 3.32 0.15 0.40 -0.93 113.70 118.84 3k87 s SER 1131Ca -0.04 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.28 3k87 s SER 1131Cb -0.06 -0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 63.40 3k87 s SER 1131CO -0.01 -0.01 -0.07 -0.36 1.20 0.00 0.00 173.24 173.99 3k87 s PHE 1132N 0.95 2.92 -0.09 3.44 0.08 -0.15 -0.07 117.98 125.06 3k87 s PHE 1132Ca -0.09 -0.65 -0.15 0.00 0.12 0.00 0.00 56.93 56.15 3k87 s PHE 1132Cb -0.15 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.28 3k87 s PHE 1132CO 0.00 -0.28 0.39 0.34 -0.10 0.00 0.00 175.22 175.57 3k87 s ASP 1133N 0.76 6.65 0.01 1.36 2.15 0.54 -1.36 116.67 126.78 3k87 s ASP 1133Ca -0.03 0.77 -0.04 0.00 0.43 0.00 0.00 52.55 53.68 3k87 s ASP 1133Cb -0.15 -2.24 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 3k87 s ASP 1133CO 0.02 0.16 0.06 0.00 -0.17 0.00 0.00 175.17 175.24 3k87 s THR 1135N -1.57 3.77 0.06 0.00 -4.23 -0.62 -1.94 115.64 111.12 3k87 s THR 1135Ca -0.14 -0.77 -0.31 0.00 -1.18 0.00 0.00 61.69 59.29 3k87 s THR 1135Cb -0.08 -2.66 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 3k87 s THR 1135CO -0.00 0.36 1.23 -0.63 -0.54 0.00 0.00 174.62 175.04 3k87 s ILE 1136N -1.04 3.94 -0.10 2.99 1.01 -0.10 -0.30 121.20 127.60 3k87 s ILE 1136Ca 0.18 1.38 0.12 0.00 0.00 0.00 0.00 60.65 62.34 3k87 s ILE 1136Cb -0.11 -3.89 -0.18 0.00 0.01 0.00 0.00 42.46 38.29 3k87 s ILE 1136CO 0.09 0.09 0.12 0.00 0.00 0.00 0.00 174.94 175.24 3k87 n ALA 1137N 4.09 1.90 -3.56 9.38 0.00 0.53 -4.89 120.51 127.96 3k87 n ALA 1137Ca 0.10 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 3k87 n ALA 1137Cb 0.46 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.71 3k87 n ALA 1137CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3k87 s ASN 1138N -4.36 -0.35 -0.04 0.00 3.84 -1.03 -5.00 114.94 108.00 3k87 s ASN 1138Ca -0.06 0.24 0.00 0.00 0.21 0.00 0.00 52.86 53.25 3k87 s ASN 1138Cb 0.05 0.31 0.03 0.00 -0.55 0.00 0.00 41.25 41.09 3k87 s ASN 1138CO 0.56 -0.42 -0.01 -0.63 -2.79 0.00 0.00 177.10 173.81 3k87 s ILE 1139N -1.85 0.28 -0.22 -5.21 1.01 -1.26 0.19 121.20 114.15 3k87 s ILE 1139Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 3k87 s ILE 1139Cb -0.01 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3k87 s ILE 1139CO -0.02 0.18 -0.08 -0.69 0.00 0.00 0.00 174.94 174.33 3k87 s VAL 1140N 1.19 2.97 -0.06 2.92 1.01 -0.04 -4.95 120.40 123.44 3k87 s VAL 1140Ca -0.07 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 3k87 s VAL 1140Cb -0.13 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 3k87 s VAL 1140CO -0.02 0.41 0.71 -1.81 0.00 0.00 0.00 175.10 174.39 3k87 s ASP 1141N 1.41 7.01 -0.08 3.32 -0.00 -1.26 0.22 116.67 127.29 3k87 s ASP 1141Ca 0.05 1.21 -0.02 0.00 -0.00 0.00 0.00 52.55 53.79 3k87 s ASP 1141Cb -0.14 -2.42 0.03 0.00 -0.00 0.00 0.00 42.92 40.39 3k87 s ASP 1141CO -0.06 -0.11 0.03 -0.69 -0.00 0.00 0.00 175.17 174.34 3k87 s VAL 1142N 0.73 0.22 0.00 -1.27 1.01 0.21 -4.97 120.40 116.33 3k87 s VAL 1142Ca 0.38 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3k87 s VAL 1142Cb -0.18 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.74 3k87 s VAL 1142CO 0.19 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3k87 n GLY 1143N 5.19 2.71 0.13 4.51 0.00 -1.26 -0.65 105.19 115.82 3k87 n GLY 1143Ca -0.06 0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3k87 n GLY 1143CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k87 n SER 1144N 2.44 0.77 -4.68 1.61 3.41 -1.26 -4.87 113.62 111.04 3k87 n SER 1144Ca 0.00 0.64 -0.35 0.00 -0.26 0.00 0.00 58.87 58.90 3k87 n SER 1144Cb 0.00 -0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 63.03 3k87 n SER 1144CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3k87 s HIS 1145N -3.24 3.16 -0.16 7.33 0.09 0.18 -1.78 115.29 120.86 3k87 s HIS 1145Ca 0.07 0.19 -0.25 0.00 -0.00 0.00 0.00 55.06 55.07 3k87 s HIS 1145Cb 0.10 -1.78 -0.02 0.00 -0.00 0.00 0.00 32.58 30.88 3k87 s HIS 1145CO 0.48 0.47 0.79 -1.12 -0.00 0.00 0.00 174.74 175.37 3k87 s SER 1146N -0.91 6.93 -0.50 1.40 0.01 0.03 -0.62 113.70 120.04 3k87 s SER 1146Ca 0.13 1.13 -0.18 0.00 1.31 0.00 0.00 55.95 58.35 3k87 s SER 1146Cb -0.11 -2.44 0.07 0.00 0.21 0.00 0.00 66.02 63.75 3k87 s SER 1146CO 0.03 -0.35 0.54 -0.69 0.41 0.00 0.00 173.24 173.18 3k87 s VAL 1147N 1.97 5.02 -0.24 3.43 1.01 0.13 -1.01 120.40 130.72 3k87 s VAL 1147Ca 0.37 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 3k87 s VAL 1147Cb -0.17 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 3k87 s VAL 1147CO 0.13 -0.76 0.23 -0.63 0.00 0.00 0.00 175.10 174.07 3k87 s ILE 1148N 2.23 5.31 -0.26 2.22 1.01 0.75 -0.87 121.20 131.59 3k87 s ILE 1148Ca 0.10 0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.95 3k87 s ILE 1148Cb -0.22 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 3k87 s ILE 1148CO 0.09 0.30 0.25 -0.36 0.00 0.00 0.00 174.94 175.22 3k87 s PHE 1149N 1.25 3.27 -0.03 3.97 0.08 0.13 -1.14 117.98 125.51 3k87 s PHE 1149Ca 0.11 0.28 0.04 0.00 0.12 0.00 0.00 56.93 57.48 3k87 s PHE 1149Cb -0.14 -2.42 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 3k87 s PHE 1149CO 0.06 -0.10 -0.16 0.00 -0.10 0.00 0.00 175.22 174.92 3k87 s ALA 1150N 1.61 1.38 -0.07 5.36 0.00 0.02 -0.35 121.76 129.70 3k87 s ALA 1150Ca 0.11 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 3k87 s ALA 1150Cb -0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 3k87 s ALA 1150CO 0.09 0.29 0.24 -1.21 0.00 0.00 0.00 175.76 175.16 3k87 s GLU 1151N -0.13 3.61 -0.29 0.00 2.02 0.59 -1.42 118.70 123.07 3k87 s GLU 1151Ca 0.01 0.06 -0.19 0.00 0.02 0.00 0.00 54.97 54.86 3k87 s GLU 1151Cb -0.09 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 30.93 3k87 s GLU 1151CO 0.01 0.74 0.59 0.08 0.02 0.00 0.00 175.26 176.70 3k87 s VAL 1152N -1.06 4.99 -0.55 2.63 1.01 -0.31 -1.59 120.40 125.52 3k87 s VAL 1152Ca 0.19 0.85 0.13 0.00 0.00 0.00 0.00 61.98 63.15 3k87 s VAL 1152Cb -0.14 -3.94 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 3k87 s VAL 1152CO 0.08 -0.06 0.52 1.33 0.00 0.00 0.00 175.10 176.96 3k87 n VAL 1153N 5.31 0.00 -3.68 2.92 0.24 0.58 -4.85 118.33 118.84 3k87 n VAL 1153Ca -0.02 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 3k87 n VAL 1153Cb 0.49 0.94 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 3k87 n VAL 1153CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k87 s ALA 1154N -2.25 -0.91 0.10 2.33 0.00 -0.91 -4.96 121.76 115.17 3k87 s ALA 1154Ca 0.04 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.20 3k87 s ALA 1154Cb 0.09 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3k87 s ALA 1154CO 0.52 -0.48 -0.10 -0.98 0.00 0.00 0.00 175.76 174.71 3k87 s ARG 1155N -2.77 0.88 0.06 0.00 1.70 -1.26 -0.34 118.95 117.22 3k87 s ARG 1155Ca -0.03 -1.20 -0.14 0.00 -0.47 0.00 0.00 55.73 53.89 3k87 s ARG 1155Cb -0.00 -0.56 0.02 0.00 -0.57 0.00 0.00 34.95 33.84 3k87 s ARG 1155CO -0.05 0.08 0.32 1.21 -1.08 0.00 0.00 175.30 175.79 3k87 s ASN 1156N -2.53 -0.14 -0.03 -2.89 2.47 0.90 -4.97 114.94 107.75 3k87 s ASN 1156Ca 0.07 -0.24 -0.03 0.00 0.42 0.00 0.00 52.86 53.08 3k87 s ASN 1156Cb -0.02 0.38 0.01 0.00 -1.45 0.00 0.00 41.25 40.17 3k87 s ASN 1156CO 0.00 -0.68 0.08 -1.00 -3.72 0.00 0.00 177.10 171.78 3k87 s HIS 1157N -2.91 -0.09 0.85 0.43 3.76 -1.26 -0.46 115.29 115.62 3k87 s HIS 1157Ca -0.02 0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 54.98 3k87 s HIS 1157Cb 0.00 0.03 0.10 0.00 1.11 0.00 0.00 32.58 33.82 3k87 s HIS 1157CO -0.06 -0.04 1.09 0.00 -0.85 0.00 0.00 174.74 174.89 3k87 s ALA 1158N 0.04 1.84 0.02 -1.40 0.00 -0.33 -4.96 121.76 116.97 3k87 s ALA 1158Ca -0.00 -0.06 -0.22 0.00 0.00 0.00 0.00 51.96 51.68 3k87 s ALA 1158Cb -0.01 -3.18 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 3k87 s ALA 1158CO 0.00 -2.09 1.08 0.93 0.00 0.00 0.00 175.76 175.68 3k87 h GLU 1159N -1.36 -0.76 -2.10 0.00 5.08 -1.91 -3.44 114.58 110.10 3k87 h GLU 1159Ca -0.48 0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 57.36 3k87 h GLU 1159Cb 1.27 0.17 -0.41 0.00 0.50 0.00 0.00 28.75 30.29 3k87 h GLU 1159CO 0.55 -0.51 -0.85 0.39 -1.00 0.00 0.00 179.01 177.59 3k87 n GLU 1160N -4.63 1.65 -3.93 2.33 1.02 -1.26 -5.05 120.64 110.77 3k87 n GLU 1160Ca -0.10 -3.96 -0.30 0.00 -0.02 0.00 0.00 57.16 52.78 3k87 n GLU 1160Cb 0.31 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 29.84 3k87 n GLU 1160CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k87 s THR 1162N 0.53 2.39 0.49 0.00 -4.23 -1.26 -4.86 115.64 108.71 3k87 s THR 1162Ca 0.14 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.71 3k87 s THR 1162Cb -0.22 -2.73 -0.06 0.00 1.34 0.00 0.00 72.50 70.83 3k87 s THR 1162CO -0.06 -0.11 0.90 -2.16 -0.54 0.00 0.00 174.62 172.65 3k87 s PRO 1163N -3.97 3.80 -0.09 3.99 0.04 -1.26 0.07 135.00 137.58 3k87 s PRO 1163Ca 0.73 0.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.25 3k87 s PRO 1163Cb -0.28 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 3k87 s PRO 1163CO 0.46 -0.24 0.60 -1.17 0.04 0.00 0.00 177.00 176.69 3k87 s LEU 1164N -4.24 4.29 0.10 -3.56 2.96 -0.36 -3.64 118.68 114.23 3k87 s LEU 1164Ca 0.55 1.01 0.10 0.00 -0.22 0.00 0.00 54.13 55.57 3k87 s LEU 1164Cb -0.10 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 3k87 s LEU 1164CO 0.36 -0.07 -0.26 -0.63 -1.32 0.00 0.00 176.35 174.43 3k87 s ILE 1165N 0.78 2.16 -0.06 6.68 -1.09 0.04 -2.87 121.20 126.84 3k87 s ILE 1165Ca 0.32 -1.62 0.05 0.00 -2.23 0.00 0.00 60.65 57.17 3k87 s ILE 1165Cb -0.17 -1.89 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 3k87 s ILE 1165CO 0.14 0.15 -0.20 -0.47 -1.23 0.00 0.00 174.94 173.33 3k87 s TYR 1166N -0.99 2.55 -0.29 3.97 5.04 -0.17 -0.26 117.35 127.20 3k87 s TYR 1166Ca 0.12 -0.51 -0.19 0.00 -2.44 0.00 0.00 57.07 54.06 3k87 s TYR 1166Cb -0.10 -1.63 0.13 0.00 0.35 0.00 0.00 41.96 40.71 3k87 s TYR 1166CO 0.05 -0.07 0.95 -1.58 -1.34 0.00 0.00 175.55 173.55 3k87 s HIS 1167N -0.32 -0.61 -1.41 4.97 5.65 -0.17 -1.73 115.29 121.67 3k87 s HIS 1167Ca 0.02 1.29 -0.08 0.00 0.25 0.00 0.00 55.06 56.54 3k87 s HIS 1167Cb -0.13 0.38 0.05 0.00 -1.18 0.00 0.00 32.58 31.71 3k87 s HIS 1167CO 0.02 -0.30 0.61 0.54 -0.65 0.00 0.00 174.74 174.96 3k87 n ARG 1168N 3.28 -4.30 -1.93 2.88 5.12 0.02 -1.38 116.66 120.35 3k87 n ARG 1168Ca -0.17 0.65 -0.15 0.00 -1.93 0.00 0.00 57.85 56.25 3k87 n ARG 1168Cb 0.57 -5.45 -0.03 0.00 -1.16 0.00 0.00 32.46 26.39 3k87 n ARG 1168CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3k87 n ARG 1169N -3.98 -1.16 -4.12 5.56 1.74 -1.26 -4.99 116.66 108.46 3k87 n ARG 1169Ca -0.04 0.87 -0.12 0.00 -0.77 0.00 0.00 57.85 57.79 3k87 n ARG 1169Cb 0.57 -5.13 -0.11 0.00 -1.02 0.00 0.00 32.46 26.77 3k87 n ARG 1169CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k87 s GLN 1170N -4.14 0.68 0.54 5.56 -0.21 -0.48 -5.14 119.66 116.47 3k87 s GLN 1170Ca 0.00 -1.03 -0.17 0.00 0.02 0.00 0.00 55.36 54.18 3k87 s GLN 1170Cb 0.00 -0.28 -0.06 0.00 1.00 0.00 0.00 33.01 33.67 3k87 s GLN 1170CO 0.00 0.03 1.02 0.71 -2.12 0.00 0.00 175.29 174.93 3k87 s TYR 1171N -2.40 3.17 0.14 0.91 2.02 -1.26 -0.99 117.35 118.94 3k87 s TYR 1171Ca 0.00 1.51 -0.04 0.00 -0.37 0.00 0.00 57.07 58.18 3k87 s TYR 1171Cb -0.03 -2.93 0.01 0.00 -0.40 0.00 0.00 41.96 38.61 3k87 s TYR 1171CO -0.02 -0.75 0.26 0.00 -1.57 0.00 0.00 175.55 173.47 3k87 n ALA 1172N -1.63 -0.46 -3.00 3.71 0.00 0.64 -4.90 120.51 114.86 3k87 n ALA 1172Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3k87 n ALA 1172Cb 0.53 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.41 3k87 n ALA 1172CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3k87 n THR 1173N -0.21 0.00 -4.03 0.00 5.66 -1.26 -0.78 114.28 113.66 3k87 n THR 1173Ca -0.02 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.75 3k87 n THR 1173Cb 0.22 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.97 3k87 n THR 1173CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k87 s THR 1174N -2.15 4.88 0.04 1.09 -4.23 -1.26 -4.90 115.64 109.10 3k87 s THR 1174Ca 0.00 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.34 3k87 s THR 1174Cb 0.00 -3.60 -0.01 0.00 1.34 0.00 0.00 72.50 70.23 3k87 s THR 1174CO 0.00 -0.27 0.13 0.00 -0.54 0.00 0.00 174.62 173.94 3k87 s ARG 1175N -3.68 0.61 0.68 3.99 1.70 -1.26 -5.01 118.95 115.97 3k87 s ARG 1175Ca 0.33 -0.69 -0.16 0.00 -0.47 0.00 0.00 55.73 54.74 3k87 s ARG 1175Cb -0.09 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.54 3k87 s ARG 1175CO 0.27 -0.16 1.20 -1.54 -1.08 0.00 0.00 175.30 173.99 3k87 s SER 1176N -2.04 4.58 0.00 -2.89 1.04 -1.26 -5.26 113.70 107.86 3k87 s SER 1176Ca -0.06 2.35 0.26 0.00 0.48 0.00 0.00 55.95 58.98 3k87 s SER 1176Cb -0.02 -2.59 1.55 0.00 0.10 0.00 0.00 66.02 65.06 3k87 s SER 1176CO -0.04 -2.01 1.90 0.18 0.98 0.00 0.00 173.24 174.26