#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k88 s GLU 1015N 0.00 3.58 0.44 -1.08 2.02 -1.26 -5.09 118.70 117.32 3k88 s GLU 1015Ca 0.00 0.01 -0.22 0.00 0.02 0.00 0.00 54.97 54.78 3k88 s GLU 1015Cb 0.00 -3.18 -0.09 0.00 0.10 0.00 0.00 34.13 30.96 3k88 s GLU 1015CO 0.00 0.74 1.04 -0.08 0.02 0.00 0.00 175.26 176.98 3k88 s THR 1016N -1.08 3.79 0.86 3.63 -1.32 -1.26 -5.01 115.64 115.25 3k88 s THR 1016Ca 0.19 1.23 -0.10 0.00 -1.21 0.00 0.00 61.69 61.80 3k88 s THR 1016Cb -0.13 -3.57 0.11 0.00 -1.51 0.00 0.00 72.50 67.40 3k88 s THR 1016CO 0.08 -0.13 1.12 0.68 -2.21 0.00 0.00 174.62 174.17 3k88 s VAL 1017N -1.84 2.55 0.38 5.08 -7.23 -1.26 -4.97 120.40 113.11 3k88 s VAL 1017Ca 0.63 0.18 -0.28 0.00 -1.81 0.00 0.00 61.98 60.70 3k88 s VAL 1017Cb -0.19 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.27 3k88 s VAL 1017CO 0.23 -0.23 1.44 0.00 -0.31 0.00 0.00 175.10 176.23 3k88 s ALA 1018N -2.75 3.51 0.29 1.32 0.00 -1.26 -4.88 121.76 117.99 3k88 s ALA 1018Ca 0.65 1.49 0.02 0.00 0.00 0.00 0.00 51.96 54.12 3k88 s ALA 1018Cb -0.21 -3.58 0.71 0.00 0.00 0.00 0.00 23.12 20.05 3k88 s ALA 1018CO 0.57 -0.98 1.66 0.77 0.00 0.00 0.00 175.76 177.78 3k88 h SER 1019N 2.99 0.09 -0.58 0.00 0.02 -2.00 -0.97 113.55 113.10 3k88 h SER 1019Ca -0.50 0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.57 3k88 h SER 1019Cb 1.24 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.99 3k88 h SER 1019CO 0.64 -0.12 0.14 0.15 -1.14 0.00 0.00 176.83 176.50 3k88 h PHE 1020N 0.25 0.98 -0.25 3.45 3.04 -2.00 -2.15 116.94 120.27 3k88 h PHE 1020Ca 0.55 -0.12 -0.08 0.00 3.98 0.00 0.00 57.97 62.31 3k88 h PHE 1020Cb 1.09 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 3k88 h PHE 1020CO -0.23 0.83 -0.17 0.22 -2.02 0.00 0.00 178.31 176.94 3k88 h ASP 1021N 0.83 0.42 -0.04 0.41 -0.00 -1.60 -0.28 116.42 116.17 3k88 h ASP 1021Ca 0.18 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.03 57.08 3k88 h ASP 1021Cb 0.35 -0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 39.57 3k88 h ASP 1021CO 0.00 0.61 -0.03 0.15 -0.00 0.00 0.00 179.24 179.97 3k88 h PHE 1022N 0.40 0.11 -0.55 0.28 3.57 -1.01 -1.82 116.94 117.91 3k88 h PHE 1022Ca 0.07 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3k88 h PHE 1022Cb 0.53 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 3k88 h PHE 1022CO 0.02 0.54 0.32 0.00 -2.23 0.00 0.00 178.31 176.96 3k88 h ARG 1023N -0.35 0.76 0.06 1.11 3.08 -1.33 -1.14 114.38 116.56 3k88 h ARG 1023Ca 0.01 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3k88 h ARG 1023Cb 0.52 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 3k88 h ARG 1023CO 0.01 0.57 -0.51 0.22 -1.07 0.00 0.00 179.97 179.19 3k88 h ASP 1024N 0.74 -1.55 -0.97 7.04 3.58 -1.04 -1.49 116.42 122.73 3k88 h ASP 1024Ca 0.20 0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.90 3k88 h ASP 1024Cb 0.01 0.58 -0.07 0.00 1.72 0.00 0.00 39.33 41.57 3k88 h ASP 1024CO -0.03 -0.53 0.62 0.00 -2.88 0.00 0.00 179.24 176.42 3k88 h ALA 1025N -0.38 1.38 0.00 -0.78 0.00 -1.15 -2.20 119.26 116.13 3k88 h ALA 1025Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3k88 h ALA 1025Cb 0.73 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3k88 h ALA 1025CO -0.32 0.35 -0.25 -0.07 0.00 0.00 0.00 179.25 178.96 3k88 h LEU 1026N 1.08 0.00 -2.53 0.00 3.38 -0.62 -0.42 115.31 116.20 3k88 h LEU 1026Ca 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.41 3k88 h LEU 1026Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3k88 h LEU 1026CO -0.20 0.25 -0.01 0.77 0.09 0.00 0.00 178.44 179.33 3k88 h SER 1027N 0.00 0.00 0.48 -0.43 4.64 -0.62 -1.31 113.55 116.31 3k88 h SER 1027Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k88 h SER 1027Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3k88 h SER 1027CO 0.03 0.01 -0.22 0.29 -0.87 0.00 0.00 176.83 176.08 3k88 n LYS 1028N -3.61 0.42 -2.42 4.77 5.02 -0.17 -0.66 118.16 121.52 3k88 n LYS 1028Ca -0.03 -0.18 -0.25 0.00 -2.02 0.00 0.00 58.31 55.84 3k88 n LYS 1028Cb 0.10 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.66 3k88 n LYS 1028CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k88 s ALA 1029N -2.70 3.41 0.22 7.82 0.00 -0.49 -4.84 121.76 125.17 3k88 s ALA 1029Ca 0.21 -0.97 0.10 0.00 0.00 0.00 0.00 51.96 51.31 3k88 s ALA 1029Cb 0.19 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 3k88 s ALA 1029CO 0.55 -0.97 -0.16 -1.54 0.00 0.00 0.00 175.76 173.65 3k88 s SER 1030N -4.41 3.86 0.07 0.00 1.04 -1.26 -4.24 113.70 108.76 3k88 s SER 1030Ca 0.57 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 56.19 3k88 s SER 1030Cb -0.11 -0.48 -0.03 0.00 0.10 0.00 0.00 66.02 65.50 3k88 s SER 1030CO 0.43 0.08 0.03 0.42 0.98 0.00 0.00 173.24 175.18 3k88 s THR 1031N -1.94 0.18 0.93 2.02 -4.23 -0.30 -4.99 115.64 107.31 3k88 s THR 1031Ca 0.25 -1.71 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 3k88 s THR 1031Cb -0.07 -1.59 0.15 0.00 1.34 0.00 0.00 72.50 72.33 3k88 s THR 1031CO 0.14 -0.83 1.17 -2.16 -0.54 0.00 0.00 174.62 172.39 3k88 s PRO 1032N -3.93 0.98 -0.14 3.99 0.04 -1.26 -1.07 135.00 133.60 3k88 s PRO 1032Ca 0.10 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.28 3k88 s PRO 1032Cb 0.07 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.80 3k88 s PRO 1032CO -0.08 -2.28 -0.14 0.08 0.04 0.00 0.00 177.00 174.62 3k88 s VAL 1033N -3.38 1.55 0.30 -0.36 1.01 -1.16 -4.53 120.40 113.83 3k88 s VAL 1033Ca 0.66 -0.63 0.11 0.00 0.00 0.00 0.00 61.98 62.12 3k88 s VAL 1033Cb -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3k88 s VAL 1033CO 0.53 0.46 -0.14 0.42 0.00 0.00 0.00 175.10 176.37 3k88 s THR 1034N 1.42 2.56 -0.13 3.92 -4.23 -0.09 -1.37 115.64 117.72 3k88 s THR 1034Ca 0.03 -2.27 -0.02 0.00 -1.18 0.00 0.00 61.69 58.26 3k88 s THR 1034Cb -0.13 -2.48 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 3k88 s THR 1034CO -0.09 -0.34 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.88 3k88 s VAL 1035N -2.51 3.57 -0.23 2.29 1.01 -0.14 -0.70 120.40 123.70 3k88 s VAL 1035Ca 0.31 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3k88 s VAL 1035Cb -0.03 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3k88 s VAL 1035CO 0.16 0.52 0.12 -0.69 0.00 0.00 0.00 175.10 175.22 3k88 s VAL 1036N 0.16 5.08 0.22 2.92 1.01 0.10 -1.29 120.40 128.60 3k88 s VAL 1036Ca -0.04 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.07 3k88 s VAL 1036Cb -0.14 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3k88 s VAL 1036CO 0.04 0.37 -0.05 0.00 0.00 0.00 0.00 175.10 175.46 3k88 s ALA 1037N 0.97 1.87 0.09 5.51 0.00 -0.47 -1.66 121.76 128.07 3k88 s ALA 1037Ca 0.06 -1.73 -0.16 0.00 0.00 0.00 0.00 51.96 50.13 3k88 s ALA 1037Cb -0.13 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3k88 s ALA 1037CO 0.03 -0.16 0.38 -0.08 0.00 0.00 0.00 175.76 175.93 3k88 s THR 1038N -3.28 0.07 0.14 0.00 -1.32 -0.47 -0.35 115.64 110.43 3k88 s THR 1038Ca 0.26 -0.61 -0.14 0.00 -1.21 0.00 0.00 61.69 59.99 3k88 s THR 1038Cb 0.04 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.95 3k88 s THR 1038CO 0.08 -0.33 0.37 0.21 -2.21 0.00 0.00 174.62 172.74 3k88 s ASN 1039N -2.52 -0.14 0.00 8.08 2.47 -1.26 -2.37 114.94 119.20 3k88 s ASN 1039Ca 0.00 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 52.79 3k88 s ASN 1039Cb 0.01 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 3k88 s ASN 1039CO -0.08 -0.88 0.00 0.61 -3.72 0.00 0.00 177.10 173.02 3k88 n GLY 1040N -0.22 -0.44 0.19 1.21 0.00 -1.24 -4.34 105.19 100.35 3k88 n GLY 1040Ca -0.13 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.81 3k88 n GLY 1040CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k88 h PRO 1041N 0.07 0.00 -0.18 1.61 0.11 -1.94 -1.17 132.00 130.50 3k88 h PRO 1041Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3k88 h PRO 1041Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3k88 h PRO 1041CO 0.00 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.98 3k88 n PHE 1042N -2.38 0.22 0.00 0.65 3.01 -1.26 -5.07 117.46 112.63 3k88 n PHE 1042Ca -0.02 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.32 3k88 n PHE 1042Cb 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 3k88 n PHE 1042CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k88 n GLY 1043N 1.20 1.18 3.75 1.37 0.00 -0.44 -4.95 105.19 107.29 3k88 n GLY 1043Ca 0.14 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 3k88 n GLY 1043CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k88 s LEU 1044N 0.00 4.31 0.22 0.99 2.96 -1.26 -3.63 118.68 122.26 3k88 s LEU 1044Ca 0.00 0.75 -0.21 0.00 -0.22 0.00 0.00 54.13 54.45 3k88 s LEU 1044Cb 0.00 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.16 3k88 s LEU 1044CO 0.00 0.10 0.63 0.00 -1.32 0.00 0.00 176.35 175.76 3k88 s ALA 1045N 0.21 -1.25 -0.08 5.97 0.00 -1.00 -4.66 121.76 120.96 3k88 s ALA 1045Ca 0.23 -0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.83 3k88 s ALA 1045Cb -0.15 0.87 0.12 0.00 0.00 0.00 0.00 23.12 23.96 3k88 s ALA 1045CO 0.09 -0.89 1.03 0.20 0.00 0.00 0.00 175.76 176.19 3k88 s GLY 1046N -2.86 -0.39 0.18 0.00 0.00 -1.26 -1.37 107.32 101.63 3k88 s GLY 1046Ca 0.08 1.24 -0.17 0.00 0.00 0.00 0.00 44.72 45.86 3k88 s GLY 1046CO -0.02 0.41 0.49 0.48 0.00 0.00 0.00 173.10 174.46 3k88 s LEU 1047N -2.37 0.15 0.00 0.66 2.34 -0.66 -4.82 118.68 113.98 3k88 s LEU 1047Ca 0.07 -0.45 -0.29 0.00 0.06 0.00 0.00 54.13 53.53 3k88 s LEU 1047Cb -0.01 2.06 -0.03 0.00 -0.56 0.00 0.00 46.19 47.65 3k88 s LEU 1047CO -0.07 -1.00 0.92 -0.89 -1.06 0.00 0.00 176.35 174.24 3k88 s THR 1048N -3.86 4.86 -0.03 5.48 2.01 -0.73 -0.72 115.64 122.65 3k88 s THR 1048Ca 0.08 1.93 -0.01 0.00 0.31 0.00 0.00 61.69 64.01 3k88 s THR 1048Cb -0.00 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.28 3k88 s THR 1048CO -0.05 0.20 0.03 0.00 -0.69 0.00 0.00 174.62 174.11 3k88 n SER 1050N 4.62 0.98 -4.12 0.00 3.41 -1.26 -0.91 113.62 116.33 3k88 n SER 1050Ca -0.18 -0.56 -0.43 0.00 -0.26 0.00 0.00 58.87 57.43 3k88 n SER 1050Cb 0.50 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 3k88 n SER 1050CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k88 n ALA 1051N -1.56 4.78 -2.62 7.33 0.00 -1.26 -4.62 120.51 122.55 3k88 n ALA 1051Ca 0.01 -4.48 -0.20 0.00 0.00 0.00 0.00 53.44 48.77 3k88 n ALA 1051Cb 0.28 -2.76 -0.15 0.00 0.00 0.00 0.00 19.45 16.82 3k88 n ALA 1051CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k88 s VAL 1052N -0.39 0.94 0.21 0.00 1.01 -1.26 -0.63 120.40 120.29 3k88 s VAL 1052Ca 0.37 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3k88 s VAL 1052Cb 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.64 3k88 s VAL 1052CO 0.02 0.23 0.60 0.00 0.00 0.00 0.00 175.10 175.94 3k88 s SER 1054N -2.87 7.64 -0.08 0.00 0.15 -1.26 -0.58 113.70 116.70 3k88 s SER 1054Ca 0.08 1.95 -0.12 0.00 0.70 0.00 0.00 55.95 58.57 3k88 s SER 1054Cb -0.02 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3k88 s SER 1054CO -0.02 0.15 -0.23 0.52 1.20 0.00 0.00 173.24 174.87 3k88 n VAL 1055N 1.50 1.39 -3.72 4.45 0.31 -0.67 -4.86 118.33 116.73 3k88 n VAL 1055Ca -0.02 0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.45 3k88 n VAL 1055Cb 0.47 -2.08 -0.05 0.00 -0.91 0.00 0.00 33.84 31.27 3k88 n VAL 1055CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k88 n ASP 1057N -0.23 2.74 -3.40 0.00 5.75 -1.26 -1.62 116.55 118.53 3k88 n ASP 1057Ca -0.13 -1.87 -0.16 0.00 -0.01 0.00 0.00 54.79 52.62 3k88 n ASP 1057Cb 0.63 0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.63 3k88 n ASP 1057CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3k88 s ARG 1058N -1.76 0.32 0.52 0.11 3.00 -1.26 -2.88 118.95 117.00 3k88 s ARG 1058Ca 0.24 -0.04 -0.21 0.00 -1.00 0.00 0.00 55.73 54.73 3k88 s ARG 1058Cb 0.18 -0.66 -0.06 0.00 0.00 0.00 0.00 34.95 34.40 3k88 s ARG 1058CO 0.27 -0.97 1.17 -1.25 0.00 0.00 0.00 175.30 174.52 3k88 s PRO 1059N 2.39 3.45 -0.02 5.12 0.05 -1.26 -5.04 135.00 139.69 3k88 s PRO 1059Ca 0.09 1.75 -0.30 0.00 0.05 0.00 0.00 61.00 62.59 3k88 s PRO 1059Cb -0.14 -2.17 -0.07 0.00 0.05 0.00 0.00 34.50 32.17 3k88 s PRO 1059CO -0.30 -0.80 1.80 -2.14 0.05 0.00 0.00 177.00 175.62 3k88 s PRO 1060N -3.03 4.13 -0.01 0.56 0.02 -1.14 -4.67 135.00 130.86 3k88 s PRO 1060Ca 0.70 2.35 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3k88 s PRO 1060Cb -0.28 -4.07 0.02 0.00 0.02 0.00 0.00 34.50 30.19 3k88 s PRO 1060CO 0.32 -0.94 0.02 0.99 -0.33 0.00 0.00 177.00 177.06 3k88 s THR 1061N 4.36 -0.03 0.42 0.99 2.01 -0.64 -1.65 115.64 121.10 3k88 s THR 1061Ca 0.80 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.98 3k88 s THR 1061Cb -0.37 -0.05 -0.07 0.00 0.01 0.00 0.00 72.50 72.02 3k88 s THR 1061CO 0.35 0.05 0.04 0.68 -0.69 0.00 0.00 174.62 175.04 3k88 s VAL 1062N 0.55 1.96 0.17 3.82 -7.23 -0.19 -1.67 120.40 117.81 3k88 s VAL 1062Ca -0.05 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.22 3k88 s VAL 1062Cb -0.07 -2.91 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 3k88 s VAL 1062CO -0.02 0.00 -0.10 -1.48 -0.31 0.00 0.00 175.10 173.20 3k88 s LEU 1063N -3.76 2.49 -0.01 1.32 0.05 0.25 -0.87 118.68 118.15 3k88 s LEU 1063Ca 0.33 -1.04 -0.06 0.00 0.05 0.00 0.00 54.13 53.41 3k88 s LEU 1063Cb 0.08 -0.40 0.00 0.00 -2.05 0.00 0.00 46.19 43.82 3k88 s LEU 1063CO 0.17 -0.32 0.11 -1.48 -0.55 0.00 0.00 176.35 174.28 3k88 s LEU 1064N -3.22 1.64 -0.22 1.48 2.34 -0.69 -1.40 118.68 118.62 3k88 s LEU 1064Ca 0.19 -0.14 -0.03 0.00 0.06 0.00 0.00 54.13 54.22 3k88 s LEU 1064Cb 0.02 0.54 0.00 0.00 -0.56 0.00 0.00 46.19 46.20 3k88 s LEU 1064CO 0.03 -0.28 -0.08 0.00 -1.06 0.00 0.00 176.35 174.96 3k88 s ILE 1066N 1.42 0.97 0.20 0.00 -4.36 -0.75 -4.67 121.20 114.01 3k88 s ILE 1066Ca 0.05 -0.54 -0.32 0.00 -0.26 0.00 0.00 60.65 59.58 3k88 s ILE 1066Cb -0.14 -0.81 -0.12 0.00 1.25 0.00 0.00 42.46 42.63 3k88 s ILE 1066CO -0.05 0.27 1.73 0.21 0.24 0.00 0.00 174.94 177.34 3k88 s ASN 1067N -0.31 6.38 0.26 4.36 3.84 -1.26 -1.00 114.94 127.20 3k88 s ASN 1067Ca 0.05 2.87 0.24 0.00 0.21 0.00 0.00 52.86 56.23 3k88 s ASN 1067Cb -0.05 -2.60 0.97 0.00 -0.55 0.00 0.00 41.25 39.02 3k88 s ASN 1067CO -0.00 -0.98 1.72 -2.11 -2.79 0.00 0.00 177.10 172.94 3k88 n ARG 1068N 4.09 0.20 0.00 0.43 1.85 -0.67 -2.44 116.66 120.12 3k88 n ARG 1068Ca 0.16 0.40 0.12 0.00 -1.00 0.00 0.00 57.85 57.53 3k88 n ARG 1068Cb 0.35 -1.87 0.55 0.00 -1.05 0.00 0.00 32.46 30.44 3k88 n ARG 1068CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3k88 n LYS 1069N -2.25 0.08 -2.67 2.89 -0.00 -1.26 -4.66 118.16 110.29 3k88 n LYS 1069Ca 0.02 0.07 -0.31 0.00 -0.00 0.00 0.00 58.31 58.10 3k88 n LYS 1069Cb 0.25 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 33.75 3k88 n LYS 1069CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3k88 s SER 1070N -2.91 6.52 0.17 -5.58 1.04 -1.02 -4.95 113.70 106.97 3k88 s SER 1070Ca 0.14 1.26 -0.15 0.00 0.48 0.00 0.00 55.95 57.69 3k88 s SER 1070Cb 0.16 -2.38 0.12 0.00 0.10 0.00 0.00 66.02 64.02 3k88 s SER 1070CO 0.43 -0.48 1.74 0.22 0.98 0.00 0.00 173.24 176.13 3k88 h TYR 1071N 1.04 0.20 -0.58 5.02 -0.00 -1.91 -2.80 116.97 117.94 3k88 h TYR 1071Ca -0.47 0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.24 3k88 h TYR 1071Cb 1.19 -0.03 -0.02 0.00 -0.00 0.00 0.00 36.73 37.87 3k88 h TYR 1071CO 0.62 0.05 0.18 0.00 -0.00 0.00 0.00 178.16 179.01 3k88 h ALA 1072N 1.30 0.76 -0.60 1.82 0.00 -1.93 -2.97 119.26 117.65 3k88 h ALA 1072Ca 0.20 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3k88 h ALA 1072Cb 0.22 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3k88 h ALA 1072CO -0.23 0.43 0.19 0.00 0.00 0.00 0.00 179.25 179.64 3k88 h ALA 1073N 1.05 0.75 -0.35 0.00 0.00 -1.77 0.77 119.26 119.71 3k88 h ALA 1073Ca 0.19 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.22 3k88 h ALA 1073Cb 0.29 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3k88 h ALA 1073CO -0.01 -0.24 0.17 0.78 0.00 0.00 0.00 179.25 179.96 3k88 h GLY 1074N 0.35 0.47 0.90 0.00 0.00 -1.41 -0.90 103.07 102.49 3k88 h GLY 1074Ca 0.31 -0.12 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 3k88 h GLY 1074CO -0.34 0.09 -0.40 -2.22 0.00 0.00 0.00 176.54 173.68 3k88 h ILE 1075N 0.36 1.34 -0.52 2.60 1.08 -1.35 -2.83 117.51 118.20 3k88 h ILE 1075Ca 0.15 -1.66 0.06 0.00 -0.39 0.00 0.00 64.86 63.02 3k88 h ILE 1075Cb 0.06 1.96 -0.05 0.00 -3.07 0.00 0.00 36.82 35.72 3k88 h ILE 1075CO -0.10 0.51 0.23 0.40 -0.69 0.00 0.00 178.15 178.50 3k88 h ILE 1076N 0.22 0.89 -0.26 -0.67 2.04 -0.82 -0.48 117.51 118.43 3k88 h ILE 1076Ca -0.00 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 3k88 h ILE 1076Cb 1.01 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3k88 h ILE 1076CO 0.09 0.08 -0.28 0.11 0.00 0.00 0.00 178.15 178.15 3k88 h LYS 1077N 0.45 0.53 0.09 2.37 1.57 -1.18 -1.86 116.57 118.53 3k88 h LYS 1077Ca 0.24 -0.21 -0.26 0.00 -1.87 0.00 0.00 60.65 58.55 3k88 h LYS 1077Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3k88 h LYS 1077CO -0.20 0.76 -1.22 0.77 -0.57 0.00 0.00 179.45 178.98 3k88 h SER 1078N 0.46 0.30 -0.47 0.86 0.02 -1.23 -3.21 113.55 110.27 3k88 h SER 1078Ca 0.06 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.65 3k88 h SER 1078Cb 0.73 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 3k88 h SER 1078CO 0.06 1.27 0.21 0.78 -1.14 0.00 0.00 176.83 178.00 3k88 h ASN 1079N 0.05 0.67 0.00 3.07 -0.26 -1.06 -3.47 115.58 114.58 3k88 h ASN 1079Ca -0.12 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 3k88 h ASN 1079Cb 1.93 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 39.01 3k88 h ASN 1079CO 0.18 0.60 0.00 0.61 -1.06 0.00 0.00 177.43 177.76 3k88 n GLY 1080N -1.11 0.90 3.13 2.83 0.00 -0.70 -4.93 105.19 105.30 3k88 n GLY 1080Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 3k88 n GLY 1080CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k88 s VAL 1081N -3.65 0.67 0.12 1.61 -7.23 -1.26 -1.22 120.40 109.43 3k88 s VAL 1081Ca 0.00 -1.53 -0.25 0.00 -1.81 0.00 0.00 61.98 58.39 3k88 s VAL 1081Cb 0.00 -1.19 0.07 0.00 0.56 0.00 0.00 36.38 35.83 3k88 s VAL 1081CO 0.00 -0.62 0.75 -1.48 -0.31 0.00 0.00 175.10 173.44 3k88 s LEU 1082N -2.34 -0.42 0.15 1.32 0.05 -0.70 -4.60 118.68 112.14 3k88 s LEU 1082Ca 0.02 -0.12 0.11 0.00 0.05 0.00 0.00 54.13 54.19 3k88 s LEU 1082Cb -0.02 2.37 -0.04 0.00 -2.05 0.00 0.00 46.19 46.45 3k88 s LEU 1082CO -0.02 -0.89 -0.24 -0.94 -0.55 0.00 0.00 176.35 173.71 3k88 s SER 1083N -2.70 3.48 -0.14 1.48 1.04 0.52 -0.41 113.70 116.98 3k88 s SER 1083Ca 0.05 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.74 3k88 s SER 1083Cb -0.02 -0.30 0.01 0.00 0.10 0.00 0.00 66.02 65.81 3k88 s SER 1083CO -0.08 0.15 -0.22 -0.69 0.98 0.00 0.00 173.24 173.39 3k88 s VAL 1084N -1.32 2.05 -0.35 5.02 1.01 -0.52 -1.37 120.40 124.93 3k88 s VAL 1084Ca 0.17 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3k88 s VAL 1084Cb -0.09 -1.81 0.10 0.00 0.00 0.00 0.00 36.38 34.58 3k88 s VAL 1084CO 0.08 0.55 0.10 0.20 0.00 0.00 0.00 175.10 176.03 3k88 s ASN 1085N 0.79 4.36 -0.16 3.32 0.01 -0.41 -0.41 114.94 122.44 3k88 s ASN 1085Ca -0.08 -2.04 -0.29 0.00 -0.71 0.00 0.00 52.86 49.75 3k88 s ASN 1085Cb -0.16 -1.28 -0.02 0.00 0.41 0.00 0.00 41.25 40.20 3k88 s ASN 1085CO -0.01 -0.38 1.41 0.26 -1.51 0.00 0.00 177.10 176.87 3k88 s TRP 1086N 1.08 2.51 0.44 2.20 0.51 0.20 -0.96 118.94 124.91 3k88 s TRP 1086Ca 0.11 0.72 -0.18 0.00 -2.12 0.00 0.00 56.10 54.64 3k88 s TRP 1086Cb -0.19 -3.72 -0.09 0.00 -0.81 0.00 0.00 33.47 28.65 3k88 s TRP 1086CO -0.14 -2.42 0.92 -0.51 -0.51 0.00 0.00 176.95 174.29 3k88 s LEU 1087N 3.97 3.85 0.49 2.99 1.02 -0.47 -0.98 118.68 129.56 3k88 s LEU 1087Ca 0.62 1.55 -0.00 0.00 0.02 0.00 0.00 54.13 56.32 3k88 s LEU 1087Cb -0.24 -4.43 0.01 0.00 0.02 0.00 0.00 46.19 41.55 3k88 s LEU 1087CO 0.21 -0.41 0.73 0.00 0.02 0.00 0.00 176.35 176.90 3k88 s ALA 1088N -2.30 3.72 0.40 4.21 0.00 -1.26 -1.09 121.76 125.43 3k88 s ALA 1088Ca 0.59 -1.07 0.14 0.00 0.00 0.00 0.00 51.96 51.62 3k88 s ALA 1088Cb -0.10 -2.19 0.97 0.00 0.00 0.00 0.00 23.12 21.81 3k88 s ALA 1088CO 0.21 -0.52 1.88 0.00 0.00 0.00 0.00 175.76 177.33 3k88 h ALA 1089N 0.24 2.03 0.00 0.00 0.00 -0.07 -1.11 119.26 120.35 3k88 h ALA 1089Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3k88 h ALA 1089Cb 1.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3k88 h ALA 1089CO 0.57 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.96 3k88 n GLY 1090N -1.49 -0.90 0.84 0.00 0.00 -1.26 -4.16 105.19 98.23 3k88 n GLY 1090Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3k88 n GLY 1090CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k88 n GLN 1091N -0.58 1.97 0.16 1.61 6.02 -0.42 -4.63 117.38 121.52 3k88 n GLN 1091Ca 0.03 -3.03 0.16 0.00 -0.01 0.00 0.00 57.00 54.15 3k88 n GLN 1091Cb 0.02 -1.75 0.75 0.00 1.02 0.00 0.00 30.24 30.27 3k88 n GLN 1091CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k88 h ALA 1092N 1.03 2.05 -0.26 -1.58 0.00 -1.77 -1.43 119.26 117.30 3k88 h ALA 1092Ca 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3k88 h ALA 1092Cb 1.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3k88 h ALA 1092CO 0.23 -0.32 -0.28 -0.24 0.00 0.00 0.00 179.25 178.64 3k88 h VAL 1093N 0.00 1.27 0.22 0.00 3.04 -1.95 -0.14 116.25 118.70 3k88 h VAL 1093Ca 0.11 -1.34 -0.01 0.00 -1.01 0.00 0.00 66.70 64.45 3k88 h VAL 1093Cb 0.51 1.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3k88 h VAL 1093CO -0.00 0.43 -0.11 0.40 -1.01 0.00 0.00 177.57 177.28 3k88 h ILE 1094N 0.46 0.85 -0.71 3.17 2.04 -1.62 -1.29 117.51 120.41 3k88 h ILE 1094Ca 0.06 -0.51 0.16 0.00 1.00 0.00 0.00 64.86 65.56 3k88 h ILE 1094Cb 0.72 1.15 -0.12 0.00 -0.74 0.00 0.00 36.82 37.83 3k88 h ILE 1094CO 0.06 0.11 0.05 -1.28 0.00 0.00 0.00 178.15 177.09 3k88 h SER 1095N -0.56 -0.23 -0.16 1.72 0.87 -1.38 -0.75 113.55 113.05 3k88 h SER 1095Ca -0.03 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3k88 h SER 1095Cb 0.42 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 3k88 h SER 1095CO 0.05 -0.13 0.10 1.56 -0.53 0.00 0.00 176.83 177.89 3k88 h GLN 1096N 0.15 0.22 -0.45 2.24 1.08 -0.94 -1.06 115.11 116.35 3k88 h GLN 1096Ca 0.39 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.64 3k88 h GLN 1096Cb 0.66 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 3k88 h GLN 1096CO -0.58 0.17 0.11 1.15 -0.95 0.00 0.00 178.83 178.73 3k88 h THR 1097N 0.20 0.79 -0.00 -0.54 2.02 -0.75 -0.62 112.91 114.01 3k88 h THR 1097Ca 0.06 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3k88 h THR 1097Cb 0.00 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3k88 h THR 1097CO -0.01 0.05 -0.08 0.49 0.37 0.00 0.00 175.52 176.33 3k88 n PHE 1098N -5.07 0.00 1.33 3.16 3.72 -0.33 -2.11 117.46 118.16 3k88 n PHE 1098Ca 0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.57 3k88 n PHE 1098Cb 0.20 -0.38 0.43 0.00 -0.94 0.00 0.00 39.48 38.80 3k88 n PHE 1098CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k88 n ALA 1099N -1.38 2.91 -0.25 4.37 0.00 -0.42 -1.78 120.51 123.96 3k88 n ALA 1099Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3k88 n ALA 1099Cb 0.31 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3k88 n ALA 1099CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k88 n GLY 1100N 1.29 0.63 3.69 0.00 0.00 -0.90 -5.01 105.19 104.90 3k88 n GLY 1100Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3k88 n GLY 1100CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k88 s VAL 1101N -2.48 2.73 0.00 1.61 1.01 -0.28 -0.61 120.40 122.37 3k88 s VAL 1101Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3k88 s VAL 1101Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3k88 s VAL 1101CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3k88 n GLY 1102N 4.13 1.21 3.85 4.51 0.00 -1.26 -4.35 105.19 113.28 3k88 n GLY 1102Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3k88 n GLY 1102CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k88 n SER 1103N 0.00 -1.45 -4.68 1.61 7.64 0.22 -4.90 113.62 112.06 3k88 n SER 1103Ca 0.00 -0.89 -0.42 0.00 1.01 0.00 0.00 58.87 58.56 3k88 n SER 1103Cb 0.00 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.57 3k88 n SER 1103CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k88 s VAL 1104N -3.71 4.19 0.40 0.44 1.01 -1.26 -4.97 120.40 116.50 3k88 s VAL 1104Ca 0.13 1.49 -0.25 0.00 0.00 0.00 0.00 61.98 63.35 3k88 s VAL 1104Cb -0.07 -3.96 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 3k88 s VAL 1104CO 0.85 -0.05 1.05 -2.65 0.00 0.00 0.00 175.10 174.30 3k88 n PRO 1105N 5.74 1.46 -0.13 2.72 -0.02 -1.26 -4.85 135.00 138.66 3k88 n PRO 1105Ca 0.12 0.52 -0.05 0.00 -2.02 0.00 0.00 63.50 62.07 3k88 n PRO 1105Cb 0.45 -2.07 0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3k88 n PRO 1105CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3k88 h MET 1106N 1.72 -0.14 0.00 -0.52 4.05 -1.95 -0.97 114.93 117.12 3k88 h MET 1106Ca -0.44 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3k88 h MET 1106Cb 1.33 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.16 3k88 h MET 1106CO 0.58 -0.09 0.00 -1.91 0.23 0.00 0.00 176.91 175.72 3k88 n GLU 1107N -5.40 0.65 -0.01 0.39 2.13 -1.26 -2.14 120.64 115.01 3k88 n GLU 1107Ca 0.03 0.02 0.11 0.00 0.66 0.00 0.00 57.16 57.98 3k88 n GLU 1107Cb 0.31 -1.50 0.10 0.00 0.27 0.00 0.00 31.44 30.61 3k88 n GLU 1107CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 3k88 n GLU 1108N -1.09 2.07 0.08 5.31 1.02 -0.37 -4.38 120.64 123.29 3k88 n GLU 1108Ca 0.17 -1.83 0.13 0.00 -0.02 0.00 0.00 57.16 55.61 3k88 n GLU 1108Cb 0.12 -1.42 0.46 0.00 -0.02 0.00 0.00 31.44 30.57 3k88 n GLU 1108CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k88 n ARG 1109N 1.24 0.18 -0.70 3.49 1.74 -0.91 -3.74 116.66 117.97 3k88 n ARG 1109Ca 0.13 0.22 -0.01 0.00 -0.77 0.00 0.00 57.85 57.42 3k88 n ARG 1109Cb 0.55 -1.74 0.21 0.00 -1.02 0.00 0.00 32.46 30.46 3k88 n ARG 1109CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3k88 n PHE 1110N -2.07 1.05 0.44 -1.55 3.72 -1.26 -4.78 117.46 113.01 3k88 n PHE 1110Ca 0.05 -1.40 -0.17 0.00 -0.05 0.00 0.00 57.45 55.87 3k88 n PHE 1110Cb 0.36 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.37 3k88 n PHE 1110CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k88 h ALA 1111N 1.16 -1.27 -0.66 4.37 0.00 -1.88 -3.45 119.26 117.53 3k88 h ALA 1111Ca 0.17 -0.25 -0.48 0.00 0.00 0.00 0.00 54.91 54.35 3k88 h ALA 1111Cb 1.60 0.44 0.05 0.00 0.00 0.00 0.00 17.79 19.88 3k88 h ALA 1111CO 0.35 -1.19 -0.14 -3.47 0.00 0.00 0.00 179.25 174.79 3k88 n ASP 1112N -5.11 -0.39 0.00 0.00 4.64 -1.26 -4.89 116.55 109.54 3k88 n ASP 1112Ca -0.14 0.75 0.09 0.00 -1.38 0.00 0.00 54.79 54.12 3k88 n ASP 1112Cb 0.44 -0.62 0.42 0.00 -1.04 0.00 0.00 41.12 40.33 3k88 n ASP 1112CO 0.00 0.00 0.00 2.29 -0.82 0.00 0.00 177.20 178.67 3k88 n LYS 1113N 0.83 0.03 0.00 -0.67 2.85 -1.26 -3.23 118.16 116.71 3k88 n LYS 1113Ca 0.13 0.16 0.04 0.00 -1.05 0.00 0.00 58.31 57.59 3k88 n LYS 1113Cb 0.11 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.19 3k88 n LYS 1113CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3k88 n GLY 1114N 0.48 -0.70 3.52 2.58 0.00 -1.26 -4.54 105.19 105.27 3k88 n GLY 1114Ca 0.05 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3k88 n GLY 1114CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k88 s TRP 1115N -2.79 3.14 0.23 1.61 0.52 -1.20 -0.06 118.94 120.38 3k88 s TRP 1115Ca 0.06 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.14 3k88 s TRP 1115Cb 0.06 -3.04 -0.05 0.00 -1.15 0.00 0.00 33.47 29.29 3k88 s TRP 1115CO 0.15 -0.70 -0.06 -1.14 0.02 0.00 0.00 176.95 175.23 3k88 s GLN 1116N 2.43 1.35 0.35 4.98 2.00 0.02 -4.86 119.66 125.93 3k88 s GLN 1116Ca 0.17 -1.65 -0.18 0.00 -2.00 0.00 0.00 55.36 51.70 3k88 s GLN 1116Cb -0.16 -0.84 -0.10 0.00 0.80 0.00 0.00 33.01 32.72 3k88 s GLN 1116CO 0.15 0.01 0.82 0.99 -0.50 0.00 0.00 175.29 176.77 3k88 s THR 1117N -3.22 4.54 0.00 -0.34 2.01 -1.26 -0.16 115.64 117.21 3k88 s THR 1117Ca 0.26 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.47 3k88 s THR 1117Cb 0.04 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.90 3k88 s THR 1117CO 0.08 -0.19 0.00 -0.38 -0.69 0.00 0.00 174.62 173.44 3k88 n ILE 1118N -0.34 0.00 -0.01 1.82 5.41 -1.26 -4.92 119.36 120.05 3k88 n ILE 1118Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.77 3k88 n ILE 1118Cb 0.53 -0.44 -0.01 0.00 -0.71 0.00 0.00 39.64 39.01 3k88 n ILE 1118CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k88 n ALA 1119N -1.84 2.59 0.77 -1.39 0.00 -1.26 -4.84 120.51 114.54 3k88 n ALA 1119Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3k88 n ALA 1119Cb 0.00 0.46 0.18 0.00 0.00 0.00 0.00 19.45 20.09 3k88 n ALA 1119CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k88 n THR 1120N -2.96 0.15 0.00 0.00 -2.24 -1.26 -4.94 114.28 103.03 3k88 n THR 1120Ca -0.05 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3k88 n THR 1120Cb 0.54 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3k88 n THR 1120CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k88 n GLY 1121N 1.42 1.30 3.76 3.38 0.00 -1.26 -4.98 105.19 108.81 3k88 n GLY 1121Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3k88 n GLY 1121CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k88 s ALA 1122N -2.33 2.92 0.06 4.61 0.00 -1.26 -4.23 121.76 121.52 3k88 s ALA 1122Ca 0.00 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 3k88 s ALA 1122Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 3k88 s ALA 1122CO 0.00 -1.20 1.21 -2.14 0.00 0.00 0.00 175.76 173.63 3k88 s PRO 1123N -2.78 4.42 -0.10 0.00 0.02 -1.26 -4.27 135.00 131.03 3k88 s PRO 1123Ca 0.68 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3k88 s PRO 1123Cb -0.39 -3.36 -0.02 0.00 0.02 0.00 0.00 34.50 30.75 3k88 s PRO 1123CO 0.47 -0.28 -0.10 0.71 -0.33 0.00 0.00 177.00 177.46 3k88 s TYR 1124N 1.16 2.86 -0.67 6.54 2.02 0.77 -4.59 117.35 125.43 3k88 s TYR 1124Ca 0.59 -0.30 -0.25 0.00 -0.37 0.00 0.00 57.07 56.74 3k88 s TYR 1124Cb -0.30 -1.78 0.05 0.00 -0.40 0.00 0.00 41.96 39.53 3k88 s TYR 1124CO 0.29 0.05 1.11 0.50 -1.57 0.00 0.00 175.55 175.93 3k88 s ARG 1125N -0.18 3.21 0.58 -0.62 6.06 -1.26 -0.80 118.95 125.93 3k88 s ARG 1125Ca 0.01 -0.42 0.37 0.00 -2.50 0.00 0.00 55.73 53.19 3k88 s ARG 1125Cb -0.13 -4.17 1.67 0.00 0.06 0.00 0.00 34.95 32.38 3k88 s ARG 1125CO 0.03 -1.91 2.09 0.52 -2.50 0.00 0.00 175.30 173.54 3k88 h MET 1126N 9.73 0.00 -0.43 5.12 2.86 -0.83 -2.26 114.93 129.13 3k88 h MET 1126Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 3k88 h MET 1126Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3k88 h MET 1126CO 1.21 0.00 0.00 -0.40 1.06 0.00 0.00 176.91 178.78 3k88 n ASP 1127N -3.08 4.44 -4.81 1.22 3.85 -1.26 -4.82 116.55 112.08 3k88 n ASP 1127Ca -0.00 -2.77 -0.32 0.00 -0.71 0.00 0.00 54.79 50.99 3k88 n ASP 1127Cb 0.24 -0.55 0.02 0.00 -1.35 0.00 0.00 41.12 39.47 3k88 n ASP 1127CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k88 s ALA 1128N -2.41 2.78 0.48 2.12 0.00 -0.85 -4.75 121.76 119.13 3k88 s ALA 1128Ca 0.45 0.26 0.13 0.00 0.00 0.00 0.00 51.96 52.80 3k88 s ALA 1128Cb 0.33 -3.20 1.12 0.00 0.00 0.00 0.00 23.12 21.38 3k88 s ALA 1128CO 0.15 -0.86 2.11 0.00 0.00 0.00 0.00 175.76 177.16 3k88 h ALA 1129N 0.12 1.91 -2.57 0.00 0.00 -1.31 -3.43 119.26 114.00 3k88 h ALA 1129Ca -0.46 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 3k88 h ALA 1129Cb 1.21 -0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.69 3k88 h ALA 1129CO 0.58 0.07 -0.22 0.08 0.00 0.00 0.00 179.25 179.76 3k88 s VAL 1130N -5.23 -0.01 -0.10 0.00 1.01 -1.18 -4.84 120.40 110.05 3k88 s VAL 1130Ca -0.06 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3k88 s VAL 1130Cb 0.17 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.92 3k88 s VAL 1130CO 0.70 0.02 -0.00 -0.55 0.00 0.00 0.00 175.10 175.27 3k88 s SER 1131N 1.04 1.86 -0.12 3.32 0.15 -1.26 -0.63 113.70 118.06 3k88 s SER 1131Ca -0.06 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 3k88 s SER 1131Cb -0.06 -0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 63.71 3k88 s SER 1131CO -0.09 -0.20 -0.08 -0.36 1.20 0.00 0.00 173.24 173.71 3k88 s PHE 1132N 1.92 2.92 -0.16 3.44 0.08 0.45 -0.56 117.98 126.08 3k88 s PHE 1132Ca 0.04 -0.34 -0.06 0.00 0.12 0.00 0.00 56.93 56.69 3k88 s PHE 1132Cb -0.13 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3k88 s PHE 1132CO -0.06 -0.01 0.06 0.34 -0.10 0.00 0.00 175.22 175.45 3k88 s ASP 1133N 0.07 5.61 0.05 1.36 3.68 0.13 -1.44 116.67 126.13 3k88 s ASP 1133Ca -0.02 0.13 -0.04 0.00 2.13 0.00 0.00 52.55 54.75 3k88 s ASP 1133Cb -0.14 -1.88 -0.02 0.00 -1.45 0.00 0.00 42.92 39.43 3k88 s ASP 1133CO 0.03 0.24 0.04 0.00 0.13 0.00 0.00 175.17 175.62 3k88 s THR 1135N -3.43 2.24 0.10 0.00 -4.23 -0.67 -1.71 115.64 107.93 3k88 s THR 1135Ca 0.02 -1.16 -0.31 0.00 -1.18 0.00 0.00 61.69 59.07 3k88 s THR 1135Cb 0.04 -1.83 -0.07 0.00 1.34 0.00 0.00 72.50 71.98 3k88 s THR 1135CO -0.08 0.50 1.36 -0.63 -0.54 0.00 0.00 174.62 175.23 3k88 s ILE 1136N -0.70 3.44 -0.13 2.99 1.01 -0.36 -0.92 121.20 126.53 3k88 s ILE 1136Ca 0.11 1.03 0.08 0.00 0.00 0.00 0.00 60.65 61.87 3k88 s ILE 1136Cb -0.10 -3.66 -0.14 0.00 0.01 0.00 0.00 42.46 38.57 3k88 s ILE 1136CO 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 174.94 175.02 3k88 n ALA 1137N 3.98 1.70 -3.52 9.38 0.00 0.14 -4.90 120.51 127.28 3k88 n ALA 1137Ca 0.11 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 3k88 n ALA 1137Cb 0.43 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 3k88 n ALA 1137CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3k88 s ASN 1138N -4.74 -0.49 -0.04 0.00 2.47 -1.09 -5.01 114.94 106.05 3k88 s ASN 1138Ca -0.10 0.34 0.00 0.00 0.42 0.00 0.00 52.86 53.52 3k88 s ASN 1138Cb 0.04 0.44 0.03 0.00 -1.45 0.00 0.00 41.25 40.30 3k88 s ASN 1138CO 0.45 -0.59 -0.01 -0.63 -3.72 0.00 0.00 177.10 172.61 3k88 s ILE 1139N -2.02 0.30 -0.20 -5.21 1.01 -1.26 -0.27 121.20 113.55 3k88 s ILE 1139Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 3k88 s ILE 1139Cb -0.01 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.07 3k88 s ILE 1139CO -0.01 0.19 -0.11 -0.69 0.00 0.00 0.00 174.94 174.32 3k88 s VAL 1140N 1.16 2.86 -0.12 2.92 1.01 0.10 -4.94 120.40 123.39 3k88 s VAL 1140Ca -0.08 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3k88 s VAL 1140Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3k88 s VAL 1140CO -0.02 0.47 0.65 -1.81 0.00 0.00 0.00 175.10 174.40 3k88 s ASP 1141N 1.30 6.85 -0.11 3.32 1.01 -1.26 0.00 116.67 127.78 3k88 s ASP 1141Ca 0.04 1.03 -0.02 0.00 0.71 0.00 0.00 52.55 54.31 3k88 s ASP 1141Cb -0.14 -2.38 0.04 0.00 1.01 0.00 0.00 42.92 41.45 3k88 s ASP 1141CO -0.06 -0.16 0.01 -0.69 0.21 0.00 0.00 175.17 174.49 3k88 s VAL 1142N 1.16 0.41 0.00 -1.27 1.01 -0.06 -4.98 120.40 116.67 3k88 s VAL 1142Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3k88 s VAL 1142Cb -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3k88 s VAL 1142CO 0.14 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3k88 n GLY 1143N 5.12 3.37 0.33 4.51 0.00 -1.26 -0.87 105.19 116.39 3k88 n GLY 1143Ca -0.08 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3k88 n GLY 1143CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k88 n SER 1144N 3.86 1.00 -4.51 1.61 3.41 -1.26 -4.91 113.62 112.83 3k88 n SER 1144Ca 0.00 -1.45 -0.31 0.00 -0.26 0.00 0.00 58.87 56.85 3k88 n SER 1144Cb 0.00 -0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 63.80 3k88 n SER 1144CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3k88 s HIS 1145N -1.94 2.66 -0.17 7.33 0.09 -0.04 -1.67 115.29 121.54 3k88 s HIS 1145Ca 0.37 -0.19 -0.14 0.00 -0.00 0.00 0.00 55.06 55.09 3k88 s HIS 1145Cb 0.19 -1.49 -0.04 0.00 -0.00 0.00 0.00 32.58 31.24 3k88 s HIS 1145CO 0.30 0.31 0.31 -1.12 -0.00 0.00 0.00 174.74 174.55 3k88 s SER 1146N -1.58 6.42 -0.40 1.40 0.01 -0.17 -0.89 113.70 118.50 3k88 s SER 1146Ca 0.16 0.49 -0.18 0.00 1.31 0.00 0.00 55.95 57.74 3k88 s SER 1146Cb -0.11 -2.19 0.01 0.00 0.21 0.00 0.00 66.02 63.94 3k88 s SER 1146CO 0.07 0.05 0.48 -0.69 0.41 0.00 0.00 173.24 173.57 3k88 s VAL 1147N 0.71 5.03 -0.25 3.43 1.01 0.10 -1.81 120.40 128.62 3k88 s VAL 1147Ca 0.17 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3k88 s VAL 1147Cb -0.13 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3k88 s VAL 1147CO 0.05 -0.37 0.14 -0.63 0.00 0.00 0.00 175.10 174.29 3k88 s ILE 1148N 2.30 5.05 -0.21 2.22 1.01 -0.24 -0.73 121.20 130.61 3k88 s ILE 1148Ca 0.15 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 3k88 s ILE 1148Cb -0.16 -3.37 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 3k88 s ILE 1148CO 0.14 0.32 0.47 -0.36 0.00 0.00 0.00 174.94 175.51 3k88 s PHE 1149N 1.37 3.35 -0.07 3.97 0.08 0.62 -1.70 117.98 125.60 3k88 s PHE 1149Ca 0.07 0.68 0.02 0.00 0.12 0.00 0.00 56.93 57.82 3k88 s PHE 1149Cb -0.15 -2.62 0.01 0.00 -0.57 0.00 0.00 43.02 39.69 3k88 s PHE 1149CO 0.06 -0.10 -0.14 0.00 -0.10 0.00 0.00 175.22 174.94 3k88 s ALA 1150N 1.65 1.39 0.02 5.36 0.00 -0.05 0.23 121.76 130.36 3k88 s ALA 1150Ca 0.21 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 3k88 s ALA 1150Cb -0.15 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3k88 s ALA 1150CO 0.09 0.14 0.70 -1.21 0.00 0.00 0.00 175.76 175.48 3k88 s GLU 1151N 0.62 4.43 -0.22 0.00 2.02 -0.09 -1.02 118.70 124.44 3k88 s GLU 1151Ca -0.15 0.93 -0.22 0.00 0.02 0.00 0.00 54.97 55.55 3k88 s GLU 1151Cb -0.16 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 3k88 s GLU 1151CO 0.04 0.31 0.71 0.08 0.02 0.00 0.00 175.26 176.42 3k88 s VAL 1152N -0.08 4.94 -0.52 2.63 1.01 -0.66 -1.67 120.40 126.06 3k88 s VAL 1152Ca 0.36 1.34 0.07 0.00 0.00 0.00 0.00 61.98 63.75 3k88 s VAL 1152Cb -0.20 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 3k88 s VAL 1152CO 0.21 0.03 0.43 1.33 0.00 0.00 0.00 175.10 177.09 3k88 n VAL 1153N 4.96 0.00 -3.57 2.92 0.24 0.37 -4.87 118.33 118.38 3k88 n VAL 1153Ca 0.01 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 3k88 n VAL 1153Cb 0.49 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3k88 n VAL 1153CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k88 s ALA 1154N -1.42 -1.51 0.02 2.33 0.00 -1.06 -4.99 121.76 115.12 3k88 s ALA 1154Ca 0.05 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 3k88 s ALA 1154Cb 0.06 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 3k88 s ALA 1154CO 0.25 -0.86 0.07 -0.98 0.00 0.00 0.00 175.76 174.24 3k88 s ARG 1155N -3.71 0.45 0.04 0.00 1.04 -1.26 0.18 118.95 115.69 3k88 s ARG 1155Ca 0.05 -0.57 -0.30 0.00 -1.04 0.00 0.00 55.73 53.87 3k88 s ARG 1155Cb -0.02 0.18 -0.04 0.00 -2.04 0.00 0.00 34.95 33.02 3k88 s ARG 1155CO -0.06 -0.10 1.00 0.54 -0.04 0.00 0.00 175.30 176.64 3k88 s ASN 1156N -1.61 7.37 -0.70 -2.89 6.03 0.27 -4.96 114.94 118.45 3k88 s ASN 1156Ca -0.13 1.74 -0.27 0.00 -1.03 0.00 0.00 52.86 53.17 3k88 s ASN 1156Cb -0.07 -2.58 0.02 0.00 -3.03 0.00 0.00 41.25 35.59 3k88 s ASN 1156CO -0.01 -0.23 1.45 -1.00 -2.03 0.00 0.00 177.10 175.28 3k88 s HIS 1157N 0.74 2.10 0.08 1.54 3.76 -1.26 -4.65 115.29 117.59 3k88 s HIS 1157Ca 0.51 0.19 -0.15 0.00 -0.15 0.00 0.00 55.06 55.46 3k88 s HIS 1157Cb -0.23 -4.47 -0.06 0.00 1.11 0.00 0.00 32.58 28.93 3k88 s HIS 1157CO 0.29 -2.14 0.50 0.00 -0.85 0.00 0.00 174.74 172.53 3k88 s ALA 1158N 6.71 3.63 0.61 -1.40 0.00 -1.26 -5.09 121.76 124.95 3k88 s ALA 1158Ca 0.44 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 3k88 s ALA 1158Cb -0.09 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3k88 s ALA 1158CO 0.16 0.46 1.01 -1.21 0.00 0.00 0.00 175.76 176.18 3k88 s GLU 1159N -1.45 3.60 0.41 0.00 2.02 -1.26 -4.98 118.70 117.04 3k88 s GLU 1159Ca 0.31 0.70 -0.27 0.00 0.02 0.00 0.00 54.97 55.74 3k88 s GLU 1159Cb -0.17 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.86 3k88 s GLU 1159CO 0.17 -0.53 1.41 0.39 0.02 0.00 0.00 175.26 176.72 3k88 n GLU 1160N -2.69 2.32 -3.42 1.61 1.02 -1.26 -4.88 120.64 113.34 3k88 n GLU 1160Ca 0.06 0.82 0.01 0.00 -0.02 0.00 0.00 57.16 58.02 3k88 n GLU 1160Cb 0.54 -2.57 -0.03 0.00 -0.02 0.00 0.00 31.44 29.36 3k88 n GLU 1160CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k88 s THR 1162N 2.86 3.34 0.48 0.00 2.01 -1.26 -4.89 115.64 118.17 3k88 s THR 1162Ca 0.07 0.97 -0.03 0.00 0.31 0.00 0.00 61.69 63.01 3k88 s THR 1162Cb -0.13 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3k88 s THR 1162CO -0.19 0.08 0.75 -2.84 -0.69 0.00 0.00 174.62 171.73 3k88 s PRO 1163N 0.96 3.24 -0.00 4.92 0.02 -1.26 0.52 135.00 143.40 3k88 s PRO 1163Ca 0.63 -0.13 -0.23 0.00 0.02 0.00 0.00 61.00 61.30 3k88 s PRO 1163Cb -0.36 -2.44 -0.05 0.00 0.02 0.00 0.00 34.50 31.66 3k88 s PRO 1163CO 0.31 -0.30 0.67 -1.17 -0.33 0.00 0.00 177.00 176.18 3k88 s LEU 1164N -4.69 4.41 0.14 -5.54 2.96 -0.25 -4.05 118.68 111.65 3k88 s LEU 1164Ca 0.48 1.26 0.09 0.00 -0.22 0.00 0.00 54.13 55.74 3k88 s LEU 1164Cb -0.10 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 3k88 s LEU 1164CO 0.42 0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.63 3k88 s ILE 1165N 0.07 1.92 -0.07 6.68 1.01 0.31 -2.99 121.20 128.12 3k88 s ILE 1165Ca 0.35 -1.76 0.05 0.00 0.00 0.00 0.00 60.65 59.28 3k88 s ILE 1165Cb -0.19 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.49 3k88 s ILE 1165CO 0.19 -0.13 -0.23 -0.47 0.00 0.00 0.00 174.94 174.31 3k88 s TYR 1166N -1.50 2.32 -0.25 3.97 5.04 -0.23 -1.19 117.35 125.51 3k88 s TYR 1166Ca 0.12 -0.82 -0.15 0.00 -2.44 0.00 0.00 57.07 53.79 3k88 s TYR 1166Cb -0.08 -1.55 0.07 0.00 0.35 0.00 0.00 41.96 40.75 3k88 s TYR 1166CO 0.06 -0.30 0.61 -1.58 -1.34 0.00 0.00 175.55 173.00 3k88 s HIS 1167N 0.14 -0.89 -1.47 4.97 5.65 -0.74 -1.15 115.29 121.79 3k88 s HIS 1167Ca -0.11 1.85 -0.11 0.00 0.25 0.00 0.00 55.06 56.94 3k88 s HIS 1167Cb -0.15 0.48 0.06 0.00 -1.18 0.00 0.00 32.58 31.78 3k88 s HIS 1167CO 0.06 -0.45 0.92 0.54 -0.65 0.00 0.00 174.74 175.16 3k88 n ARG 1168N 4.05 -5.74 -1.65 2.88 1.74 0.16 -2.36 116.66 115.75 3k88 n ARG 1168Ca -0.20 0.68 -0.14 0.00 -0.77 0.00 0.00 57.85 57.42 3k88 n ARG 1168Cb 0.58 -5.59 -0.05 0.00 -1.02 0.00 0.00 32.46 26.38 3k88 n ARG 1168CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k88 n ARG 1169N -4.56 -1.02 -4.10 5.56 1.74 -1.26 -4.99 116.66 108.04 3k88 n ARG 1169Ca 0.01 0.91 -0.09 0.00 -0.77 0.00 0.00 57.85 57.91 3k88 n ARG 1169Cb 0.55 -5.06 -0.10 0.00 -1.02 0.00 0.00 32.46 26.82 3k88 n ARG 1169CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k88 s GLN 1170N -3.61 0.63 0.49 5.56 -1.52 -0.99 -5.15 119.66 115.06 3k88 s GLN 1170Ca 0.00 -1.12 -0.18 0.00 -1.95 0.00 0.00 55.36 52.11 3k88 s GLN 1170Cb 0.00 0.01 -0.09 0.00 -0.22 0.00 0.00 33.01 32.72 3k88 s GLN 1170CO 0.00 -0.05 0.99 0.71 -0.25 0.00 0.00 175.29 176.68 3k88 s TYR 1171N -3.20 3.29 0.25 0.91 2.02 -1.26 -1.79 117.35 117.57 3k88 s TYR 1171Ca 0.03 1.54 -0.18 0.00 -0.37 0.00 0.00 57.07 58.09 3k88 s TYR 1171Cb 0.03 -2.87 0.02 0.00 -0.40 0.00 0.00 41.96 38.73 3k88 s TYR 1171CO -0.06 -0.42 0.61 0.00 -1.57 0.00 0.00 175.55 174.11 3k88 s ALA 1172N -2.37 -0.92 0.27 3.71 0.00 -0.34 -4.91 121.76 117.20 3k88 s ALA 1172Ca 0.62 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.19 3k88 s ALA 1172Cb -0.11 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 3k88 s ALA 1172CO 0.24 -0.93 0.08 -2.37 0.00 0.00 0.00 175.76 172.77 3k88 n THR 1173N -0.41 0.00 -3.36 0.00 5.66 -1.26 -0.53 114.28 114.37 3k88 n THR 1173Ca -0.05 -1.50 -0.29 0.00 -3.05 0.00 0.00 64.05 59.16 3k88 n THR 1173Cb 0.61 0.50 -0.03 0.00 -1.55 0.00 0.00 70.33 69.85 3k88 n THR 1173CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k88 s THR 1174N -2.45 5.03 0.31 1.09 -4.23 -1.26 -4.93 115.64 109.20 3k88 s THR 1174Ca 0.11 0.08 0.05 0.00 -1.18 0.00 0.00 61.69 60.75 3k88 s THR 1174Cb 0.01 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.10 3k88 s THR 1174CO 0.08 -0.28 0.27 0.00 -0.54 0.00 0.00 174.62 174.14 3k88 s ARG 1175N -3.45 1.68 0.49 3.99 1.70 -1.26 -5.04 118.95 117.07 3k88 s ARG 1175Ca 0.44 -1.94 -0.08 0.00 -0.47 0.00 0.00 55.73 53.68 3k88 s ARG 1175Cb -0.11 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 3k88 s ARG 1175CO 0.29 -0.62 0.84 -1.12 -1.08 0.00 0.00 175.30 173.61 3k88 s SER 1176N -3.33 6.33 0.00 -2.89 0.01 -1.26 -5.26 113.70 107.29 3k88 s SER 1176Ca 0.40 1.09 0.21 0.00 1.31 0.00 0.00 55.95 58.96 3k88 s SER 1176Cb 0.03 -2.32 1.23 0.00 0.21 0.00 0.00 66.02 65.18 3k88 s SER 1176CO 0.25 -0.60 1.62 0.18 0.41 0.00 0.00 173.24 175.10