#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k8r s ILE 72 N 0.00 0.94 0.13 0.00 2.07 -1.26 -0.55 121.20 122.54 1k8r s ILE 72 Ca 0.00 -1.24 0.00 0.00 -1.41 0.00 0.00 60.65 58.01 1k8r s ILE 72 Cb 0.00 -1.59 -0.04 0.00 0.13 0.00 0.00 42.46 40.96 1k8r s ILE 72 CO 0.00 -0.50 0.29 -0.76 -1.91 0.00 0.00 174.94 172.06 1k8r s LEU 73 N 1.61 4.32 -0.22 8.50 1.43 0.27 -4.57 118.68 130.02 1k8r s LEU 73 Ca 0.06 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1k8r s LEU 73 Cb -0.17 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 43.06 1k8r s LEU 73 CO -0.18 0.07 -0.12 -0.60 0.23 0.00 0.00 176.35 175.75 1k8r s ARG 74 N -2.99 2.94 -0.11 1.70 3.52 -1.09 -0.27 118.95 122.66 1k8r s ARG 74 Ca 0.36 -0.89 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 1k8r s ARG 74 Cb -0.12 -2.82 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 1k8r s ARG 74 CO 0.28 -0.31 0.04 -0.06 -0.81 0.00 0.00 175.30 174.45 1k8r s PHE 75 N 1.32 3.28 -0.10 5.12 0.40 0.30 -2.09 117.98 126.22 1k8r s PHE 75 Ca 0.02 0.25 -0.02 0.00 -0.60 0.00 0.00 56.93 56.59 1k8r s PHE 75 Cb -0.15 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 1k8r s PHE 75 CO -0.08 0.49 -0.00 0.42 0.70 0.00 0.00 175.22 176.76 1k8r s ILE 76 N -0.76 4.28 0.07 0.64 1.01 0.50 -1.63 121.20 125.32 1k8r s ILE 76 Ca 0.12 -0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 1k8r s ILE 76 Cb -0.12 -2.81 0.08 0.00 0.01 0.00 0.00 42.46 39.62 1k8r s ILE 76 CO 0.03 0.59 1.05 0.00 0.00 0.00 0.00 174.94 176.61 1k8r n ALA 77 N 2.32 -2.87 -4.17 9.38 0.00 -0.69 -1.28 120.51 123.21 1k8r n ALA 77 Ca -0.18 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.12 1k8r n ALA 77 Cb 0.53 0.32 -0.08 0.00 0.00 0.00 0.00 19.45 20.23 1k8r n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k8r n ASN 79 N -2.55 0.00 0.13 0.00 3.02 -1.26 -3.86 115.26 110.74 1k8r n ASN 79 Ca -0.28 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.14 1k8r n ASN 79 Cb 0.63 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.74 1k8r n ASN 79 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1k8r h GLY 80 N 0.00 -0.38 -0.47 7.41 0.00 -1.77 -3.28 103.07 104.58 1k8r h GLY 80 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.47 1k8r h GLY 80 CO 0.00 -0.18 -0.03 -1.06 0.00 0.00 0.00 176.54 175.28 1k8r n GLN 81 N -5.31 0.00 -4.06 4.80 1.13 -1.22 -4.64 117.38 108.09 1k8r n GLN 81 Ca -0.08 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.90 1k8r n GLN 81 Cb 0.22 -0.10 -0.11 0.00 0.11 0.00 0.00 30.24 30.36 1k8r n GLN 81 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1k8r s THR 82 N -0.06 0.28 -0.03 5.09 -4.23 -1.26 -1.70 115.64 113.73 1k8r s THR 82 Ca 0.07 -1.41 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1k8r s THR 82 Cb -0.09 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.78 1k8r s THR 82 CO 0.05 -0.73 0.13 -0.13 -0.54 0.00 0.00 174.62 173.40 1k8r s ARG 83 N -2.74 0.30 0.04 3.99 1.81 -0.64 -4.98 118.95 116.72 1k8r s ARG 83 Ca -0.03 -0.08 0.04 0.00 -1.72 0.00 0.00 55.73 53.94 1k8r s ARG 83 Cb -0.01 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.58 1k8r s ARG 83 CO -0.05 -0.06 -0.07 0.00 -0.68 0.00 0.00 175.30 174.44 1k8r s ALA 84 N -0.58 3.02 0.07 2.13 0.00 -1.26 -0.54 121.76 124.60 1k8r s ALA 84 Ca -0.07 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.67 1k8r s ALA 84 Cb -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.03 1k8r s ALA 84 CO 0.01 0.63 0.31 0.14 0.00 0.00 0.00 175.76 176.85 1k8r s VAL 85 N -1.08 0.09 -0.23 0.00 -7.23 0.63 -4.99 120.40 107.60 1k8r s VAL 85 Ca 0.19 -0.72 -0.07 0.00 -1.81 0.00 0.00 61.98 59.57 1k8r s VAL 85 Cb -0.11 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 1k8r s VAL 85 CO 0.10 -0.40 0.05 0.00 -0.31 0.00 0.00 175.10 174.55 1k8r s GLN 86 N -3.01 3.70 0.22 4.82 -2.07 -1.26 0.95 119.66 123.02 1k8r s GLN 86 Ca -0.02 -0.46 0.09 0.00 -1.82 0.00 0.00 55.36 53.15 1k8r s GLN 86 Cb 0.01 -3.25 -0.04 0.00 -1.09 0.00 0.00 33.01 28.64 1k8r s GLN 86 CO -0.06 -0.06 -0.08 -1.54 -1.32 0.00 0.00 175.29 172.23 1k8r s SER 87 N 1.25 4.27 -0.12 12.60 1.04 0.29 -4.97 113.70 128.06 1k8r s SER 87 Ca 0.04 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 55.97 1k8r s SER 87 Cb -0.15 -0.71 0.35 0.00 0.10 0.00 0.00 66.02 65.62 1k8r s SER 87 CO 0.03 0.06 1.25 0.54 0.98 0.00 0.00 173.24 176.10 1k8r n ARG 88 N -0.36 2.23 0.00 4.02 1.74 -1.26 -4.50 116.66 118.53 1k8r n ARG 88 Ca -0.09 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 1k8r n ARG 88 Cb 0.57 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1k8r n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k8r n GLY 89 N -0.82 2.55 3.56 -0.13 0.00 -1.26 -5.04 105.19 104.05 1k8r n GLY 89 Ca 0.16 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1k8r n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k8r s ASP 90 N -0.09 4.55 0.21 1.61 3.68 -1.26 -4.86 116.67 120.50 1k8r s ASP 90 Ca 0.00 0.01 -0.16 0.00 2.13 0.00 0.00 52.55 54.54 1k8r s ASP 90 Cb 0.00 -2.54 0.22 0.00 -1.45 0.00 0.00 42.92 39.15 1k8r s ASP 90 CO 0.00 -3.17 1.60 0.22 0.13 0.00 0.00 175.17 173.95 1k8r h TYR 91 N 13.63 -0.58 -0.42 -5.34 3.20 -1.99 -1.20 116.97 124.26 1k8r h TYR 91 Ca -0.04 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1k8r h TYR 91 Cb 1.07 0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.67 1k8r h TYR 91 CO 1.13 -0.33 0.21 1.96 -1.64 0.00 0.00 178.16 179.49 1k8r h GLN 92 N -0.06 0.60 -0.17 1.82 4.20 -1.98 -0.52 115.11 118.99 1k8r h GLN 92 Ca 0.30 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1k8r h GLN 92 Cb 0.53 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1k8r h GLN 92 CO -0.71 0.51 0.05 0.87 -0.67 0.00 0.00 178.83 178.87 1k8r h LYS 93 N 0.54 0.27 -0.72 1.46 1.57 -1.86 -2.20 116.57 115.63 1k8r h LYS 93 Ca 0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1k8r h LYS 93 Cb 0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1k8r h LYS 93 CO -0.02 0.40 0.44 1.15 -0.57 0.00 0.00 179.45 180.85 1k8r h THR 94 N 0.09 1.20 -0.37 -0.16 2.02 -1.19 -1.45 112.91 113.05 1k8r h THR 94 Ca 0.05 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1k8r h THR 94 Cb 0.24 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1k8r h THR 94 CO -0.00 0.21 0.13 0.25 0.37 0.00 0.00 175.52 176.48 1k8r h LEU 95 N 0.98 0.48 -0.03 2.58 5.85 -0.98 -0.62 115.31 123.57 1k8r h LEU 95 Ca 0.26 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1k8r h LEU 95 Cb -0.05 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 1k8r h LEU 95 CO -0.05 0.45 0.01 0.00 -0.34 0.00 0.00 178.44 178.51 1k8r h ALA 96 N 1.62 0.04 -0.69 1.25 0.00 -0.69 0.03 119.26 120.82 1k8r h ALA 96 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k8r h ALA 96 Cb 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1k8r h ALA 96 CO -0.01 -0.34 0.44 0.82 0.00 0.00 0.00 179.25 180.16 1k8r h ILE 97 N -0.20 1.18 -0.75 0.00 2.04 -0.92 -2.19 117.51 116.68 1k8r h ILE 97 Ca 0.01 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1k8r h ILE 97 Cb 0.25 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1k8r h ILE 97 CO 0.00 0.18 0.48 0.00 0.00 0.00 0.00 178.15 178.82 1k8r h ALA 98 N 1.24 0.95 0.00 1.87 0.00 -0.96 -1.34 119.26 121.01 1k8r h ALA 98 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1k8r h ALA 98 Cb -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1k8r h ALA 98 CO -0.05 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.51 1k8r h LEU 99 N 1.01 0.00 0.02 0.00 3.38 -0.58 -2.57 115.31 116.57 1k8r h LEU 99 Ca 0.27 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 1k8r h LEU 99 Cb -0.10 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.67 1k8r h LEU 99 CO -0.06 0.00 -0.71 0.50 0.09 0.00 0.00 178.44 178.26 1k8r h LYS 100 N 0.00 0.44 0.00 1.13 3.11 -0.66 0.23 116.57 120.83 1k8r h LYS 100 Ca 0.00 -0.50 0.00 0.00 -2.81 0.00 0.00 60.65 57.34 1k8r h LYS 100 Cb 0.50 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1k8r h LYS 100 CO 0.00 1.16 0.00 0.87 -2.81 0.00 0.00 179.45 178.67 1k8r h LYS 101 N -0.06 0.00 0.00 1.90 1.57 -0.97 -2.19 116.57 116.82 1k8r h LYS 101 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1k8r h LYS 101 Cb 1.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1k8r h LYS 101 CO 0.14 0.00 -1.11 1.19 -0.57 0.00 0.00 179.45 179.10 1k8r n PHE 102 N -2.85 0.00 -2.17 -1.35 3.01 -1.05 -5.01 117.46 108.04 1k8r n PHE 102 Ca -0.02 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.44 1k8r n PHE 102 Cb 0.11 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1k8r n PHE 102 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1k8r n SER 103 N -1.63 -2.02 -4.09 4.37 7.64 -0.26 -5.04 113.62 112.59 1k8r n SER 103 Ca 0.01 -0.01 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 1k8r n SER 103 Cb 0.30 -0.57 -0.16 0.00 -1.01 0.00 0.00 64.21 62.78 1k8r n SER 103 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1k8r s LEU 104 N -1.77 1.85 0.29 -3.43 1.43 0.67 -5.03 118.68 112.69 1k8r s LEU 104 Ca 0.00 -0.31 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 1k8r s LEU 104 Cb -0.00 -0.86 -0.09 0.00 0.03 0.00 0.00 46.19 45.27 1k8r s LEU 104 CO 0.01 0.12 0.79 -1.61 0.23 0.00 0.00 176.35 175.89 1k8r s GLU 105 N 0.16 4.23 0.15 1.70 2.02 -1.26 -4.41 118.70 121.29 1k8r s GLU 105 Ca -0.05 0.91 0.00 0.00 0.02 0.00 0.00 54.97 55.85 1k8r s GLU 105 Cb -0.11 -2.66 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1k8r s GLU 105 CO 0.02 0.26 0.00 -0.40 0.02 0.00 0.00 175.26 175.16 1k8r n ASP 106 N 0.24 -4.46 -0.91 -0.19 5.75 -1.26 -4.72 116.55 111.00 1k8r n ASP 106 Ca 0.01 1.20 0.00 0.00 -0.01 0.00 0.00 54.79 55.99 1k8r n ASP 106 Cb 0.52 -3.27 0.00 0.00 -1.03 0.00 0.00 41.12 37.34 1k8r n ASP 106 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k8r n ALA 107 N 1.03 2.38 -0.04 2.12 0.00 -1.26 -3.03 120.51 121.70 1k8r n ALA 107 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1k8r n ALA 107 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 1k8r n ALA 107 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k8r n SER 108 N 0.46 3.30 0.02 0.00 3.41 -1.26 -4.50 113.62 115.05 1k8r n SER 108 Ca 0.00 -0.05 0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1k8r n SER 108 Cb 0.40 -0.12 0.21 0.00 -0.26 0.00 0.00 64.21 64.45 1k8r n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k8r n LYS 109 N -2.75 0.03 -4.34 4.33 4.76 -1.17 -4.73 118.16 114.29 1k8r n LYS 109 Ca -0.16 0.40 -0.20 0.00 -2.87 0.00 0.00 58.31 55.48 1k8r n LYS 109 Cb 0.67 -1.57 -0.11 0.00 -1.84 0.00 0.00 35.03 32.19 1k8r n LYS 109 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1k8r s PHE 110 N -3.07 1.77 0.03 2.13 0.40 -1.26 -0.76 117.98 117.22 1k8r s PHE 110 Ca 0.03 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.82 1k8r s PHE 110 Cb 0.05 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.71 1k8r s PHE 110 CO 0.16 0.35 0.03 0.42 0.70 0.00 0.00 175.22 176.88 1k8r s ILE 111 N -2.49 0.13 -0.17 0.64 -1.09 0.89 -4.62 121.20 114.49 1k8r s ILE 111 Ca 0.19 -1.11 -0.09 0.00 -2.23 0.00 0.00 60.65 57.42 1k8r s ILE 111 Cb -0.03 -0.71 -0.05 0.00 -1.58 0.00 0.00 42.46 40.09 1k8r s ILE 111 CO 0.07 -0.61 0.12 -0.69 -1.23 0.00 0.00 174.94 172.60 1k8r s VAL 112 N -2.27 5.33 -0.00 2.92 1.01 -1.26 -0.87 120.40 125.26 1k8r s VAL 112 Ca -0.08 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1k8r s VAL 112 Cb -0.04 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1k8r s VAL 112 CO -0.03 0.50 -0.03 0.00 0.00 0.00 0.00 175.10 175.54 1k8r s VAL 114 N 0.01 2.62 -0.20 0.00 -7.23 -0.66 -1.57 120.40 113.37 1k8r s VAL 114 Ca 0.00 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 59.00 1k8r s VAL 114 Cb -0.02 -2.21 -0.06 0.00 0.56 0.00 0.00 36.38 34.64 1k8r s VAL 114 CO -0.00 0.39 2.18 -0.24 -0.31 0.00 0.00 175.10 177.12 1k8r n SER 115 N 4.67 3.23 -4.04 4.85 2.88 -1.26 -3.63 113.62 120.31 1k8r n SER 115 Ca -0.19 0.32 -0.31 0.00 -1.33 0.00 0.00 58.87 57.36 1k8r n SER 115 Cb 0.49 -1.51 -0.15 0.00 -0.75 0.00 0.00 64.21 62.29 1k8r n SER 115 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1k8r s GLN 116 N 6.08 1.84 0.00 -1.46 -0.21 -0.66 -4.99 119.66 120.26 1k8r s GLN 116 Ca 1.00 -1.62 0.00 0.00 0.02 0.00 0.00 55.36 54.77 1k8r s GLN 116 Cb -0.42 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 30.54 1k8r s GLN 116 CO 0.38 -0.76 0.00 -1.13 -2.12 0.00 0.00 175.29 171.66 1k8r n SER 117 N 4.34 0.00 -2.68 5.90 3.41 -1.26 -2.17 113.62 121.16 1k8r n SER 117 Ca -0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.48 1k8r n SER 117 Cb 0.42 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.43 1k8r n SER 117 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k8r n SER 118 N 0.00 0.13 0.00 4.04 3.41 -1.26 -5.11 113.62 114.82 1k8r n SER 118 Ca 0.00 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1k8r n SER 118 Cb 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1k8r n SER 118 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1k8r n ARG 119 N -0.26 0.00 -2.03 4.33 1.85 -0.92 -5.05 116.66 114.58 1k8r n ARG 119 Ca 0.05 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.48 1k8r n ARG 119 Cb 0.83 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 32.24 1k8r n ARG 119 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1k8r n ILE 120 N -0.18 4.57 -1.63 8.89 -6.64 -1.26 -1.65 119.36 121.45 1k8r n ILE 120 Ca 0.00 -4.01 -0.44 0.00 -1.77 0.00 0.00 62.75 56.53 1k8r n ILE 120 Cb 0.00 -2.32 -0.02 0.00 -1.44 0.00 0.00 39.64 35.87 1k8r n ILE 120 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1k8r n LYS 121 N 3.31 1.67 -3.46 6.28 4.81 -1.24 -4.77 118.16 124.77 1k8r n LYS 121 Ca 0.54 0.59 -0.43 0.00 -0.87 0.00 0.00 58.31 58.14 1k8r n LYS 121 Cb 0.31 -2.08 -0.09 0.00 0.02 0.00 0.00 35.03 33.19 1k8r n LYS 121 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1k8r s LEU 122 N -0.02 5.30 0.14 3.14 1.43 -1.26 -1.65 118.68 125.76 1k8r s LEU 122 Ca 0.61 -1.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.24 1k8r s LEU 122 Cb -0.67 -2.14 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 1k8r s LEU 122 CO 0.58 -0.54 1.64 -0.51 0.23 0.00 0.00 176.35 177.75 1k8r s ILE 123 N 1.62 2.65 -0.16 -0.59 2.07 -0.88 -4.94 121.20 120.97 1k8r s ILE 123 Ca 0.04 0.36 -0.13 0.00 -1.41 0.00 0.00 60.65 59.51 1k8r s ILE 123 Cb -0.22 -3.23 -0.07 0.00 0.13 0.00 0.00 42.46 39.07 1k8r s ILE 123 CO 0.07 0.02 -0.10 0.35 -1.91 0.00 0.00 174.94 173.37 1k8r n THR 124 N 4.27 1.45 -3.67 4.00 -2.24 -1.26 -4.68 114.28 112.15 1k8r n THR 124 Ca 0.15 0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.97 1k8r n THR 124 Cb 0.39 -2.29 -0.11 0.00 -2.10 0.00 0.00 70.33 66.22 1k8r n THR 124 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k8r s GLU 125 N -2.32 0.29 0.00 -0.78 2.56 -1.26 -5.12 118.70 112.07 1k8r s GLU 125 Ca -0.20 0.88 0.00 0.00 0.00 0.00 0.00 54.97 55.66 1k8r s GLU 125 Cb 0.03 0.14 0.00 0.00 2.00 0.00 0.00 34.13 36.31 1k8r s GLU 125 CO 0.33 -0.23 0.00 -1.91 -0.56 0.00 0.00 175.26 172.89 1k8r n GLU 126 N 5.05 2.77 0.00 4.30 4.07 -1.26 -5.23 120.64 130.34 1k8r n GLU 126 Ca -0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1k8r n GLU 126 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 1k8r n GLU 126 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1k8r n ARG 140 N 0.00 0.00 -0.00 5.31 5.12 -1.26 -5.16 116.66 120.66 1k8r n ARG 140 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 1k8r n ARG 140 Cb 0.00 0.00 0.79 0.00 -1.16 0.00 0.00 32.46 32.09 1k8r n ARG 140 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1k8r n ASP 141 N 0.00 0.10 -3.65 0.55 9.92 -1.26 -2.68 116.55 119.53 1k8r n ASP 141 Ca 0.00 -1.17 -0.03 0.00 -0.53 0.00 0.00 54.79 53.05 1k8r n ASP 141 Cb 0.00 -0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.42 1k8r n ASP 141 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k8r s ARG 142 N -2.00 0.54 -0.07 -1.24 1.70 -1.25 -4.76 118.95 111.87 1k8r s ARG 142 Ca 0.41 1.35 -0.05 0.00 -0.47 0.00 0.00 55.73 56.96 1k8r s ARG 142 Cb 0.19 0.70 0.03 0.00 -0.57 0.00 0.00 34.95 35.29 1k8r s ARG 142 CO 0.32 -0.20 0.18 -0.51 -1.08 0.00 0.00 175.30 174.00 1k8r s LEU 143 N 2.72 1.03 -0.25 -1.89 1.43 -0.89 -4.89 118.68 115.94 1k8r s LEU 143 Ca -0.06 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1k8r s LEU 143 Cb -0.11 0.58 0.01 0.00 0.03 0.00 0.00 46.19 46.70 1k8r s LEU 143 CO -0.18 -0.10 -0.01 -0.63 0.23 0.00 0.00 176.35 175.66 1k8r s ILE 144 N 0.53 3.38 -0.14 -0.59 1.01 -0.61 0.19 121.20 124.96 1k8r s ILE 144 Ca -0.04 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 1k8r s ILE 144 Cb -0.05 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.75 1k8r s ILE 144 CO -0.03 0.24 1.08 -0.63 0.00 0.00 0.00 174.94 175.60 1k8r s ILE 145 N 1.43 4.59 0.02 2.92 1.01 -0.40 -1.42 121.20 129.35 1k8r s ILE 145 Ca 0.03 1.90 0.01 0.00 0.00 0.00 0.00 60.65 62.58 1k8r s ILE 145 Cb -0.16 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.07 1k8r s ILE 145 CO -0.02 -0.07 -0.04 0.54 0.00 0.00 0.00 174.94 175.35 1k8r s VAL 146 N 2.62 0.21 0.14 2.92 0.11 -0.05 -4.72 120.40 121.64 1k8r s VAL 146 Ca 0.49 -0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 58.45 1k8r s VAL 146 Cb -0.19 -0.31 -0.10 0.00 -1.53 0.00 0.00 36.38 34.25 1k8r s VAL 146 CO 0.14 -0.37 1.68 -2.16 -3.33 0.00 0.00 175.10 171.06 1k8r s PRO 147 N -1.21 4.17 0.31 1.54 0.04 -1.26 -0.07 135.00 138.53 1k8r s PRO 147 Ca -0.11 2.46 0.08 0.00 0.04 0.00 0.00 61.00 63.47 1k8r s PRO 147 Cb -0.08 -3.34 0.83 0.00 0.04 0.00 0.00 34.50 31.95 1k8r s PRO 147 CO -0.00 -0.72 1.75 -0.22 0.04 0.00 0.00 177.00 177.85 1k8r h LYS 148 N 7.55 0.64 0.00 4.56 3.64 -1.20 -1.31 116.57 130.45 1k8r h LYS 148 Ca -0.43 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1k8r h LYS 148 Cb 1.21 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1k8r h LYS 148 CO 0.93 0.42 0.00 -1.91 -2.27 0.00 0.00 179.45 176.63 1k8r n GLU 149 N -4.83 0.00 -3.60 1.90 2.13 -1.26 -4.32 120.64 110.65 1k8r n GLU 149 Ca 0.25 0.35 -0.35 0.00 0.66 0.00 0.00 57.16 58.07 1k8r n GLU 149 Cb 0.67 -1.33 -0.06 0.00 0.27 0.00 0.00 31.44 30.98 1k8r n GLU 149 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1k8r n LYS 150 N -1.53 2.69 -0.40 5.31 4.81 -1.10 -5.01 118.16 122.93 1k8r n LYS 150 Ca 0.00 -4.50 -0.05 0.00 -0.87 0.00 0.00 58.31 52.89 1k8r n LYS 150 Cb 0.00 -2.40 -0.06 0.00 0.02 0.00 0.00 35.03 32.59 1k8r n LYS 150 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1k8r n PRO 151 N 2.11 0.82 -4.02 1.64 -0.04 -0.51 -4.48 135.00 130.51 1k8r n PRO 151 Ca 0.23 -0.43 -0.32 0.00 -0.04 0.00 0.00 63.50 62.93 1k8r n PRO 151 Cb 0.37 -1.73 -0.15 0.00 -0.04 0.00 0.00 33.50 31.95 1k8r n PRO 151 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k8r n PRO 153 N 4.38 1.83 -0.51 0.00 -0.04 -1.26 -4.97 135.00 134.43 1k8r n PRO 153 Ca -0.06 0.65 -0.29 0.00 -0.04 0.00 0.00 63.50 63.76 1k8r n PRO 153 Cb 0.42 -2.32 0.23 0.00 -0.04 0.00 0.00 33.50 31.79 1k8r n PRO 153 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1k8r n SER 154 N 0.28 -2.43 0.09 3.54 2.88 -1.26 -4.64 113.62 112.08 1k8r n SER 154 Ca 0.07 -0.28 -0.05 0.00 -1.33 0.00 0.00 58.87 57.28 1k8r n SER 154 Cb 0.39 -1.08 0.13 0.00 -0.75 0.00 0.00 64.21 62.90 1k8r n SER 154 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1k8r h PHE 155 N -2.64 0.30 0.00 0.66 -5.15 -1.98 -0.32 116.94 107.81 1k8r h PHE 155 Ca -0.55 -0.11 -0.12 0.00 -0.20 0.00 0.00 57.97 56.98 1k8r h PHE 155 Cb 1.31 -0.05 -0.02 0.00 0.22 0.00 0.00 35.95 37.41 1k8r h PHE 155 CO -0.47 0.76 -0.59 0.93 -2.00 0.00 0.00 178.31 176.94 1k8r h GLU 156 N 0.17 0.00 -0.01 6.09 3.07 -1.91 0.19 114.58 122.19 1k8r h GLU 156 Ca -0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1k8r h GLU 156 Cb 1.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1k8r h GLU 156 CO 0.09 0.59 -0.00 -0.44 -1.40 0.00 0.00 179.01 177.85 1k8r h ASP 157 N 0.00 0.02 -0.39 1.42 3.32 -1.55 0.34 116.42 119.59 1k8r h ASP 157 Ca -0.01 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 1k8r h ASP 157 Cb 1.39 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.92 1k8r h ASP 157 CO 0.08 0.35 -0.11 0.25 -1.72 0.00 0.00 179.24 178.09 1k8r h LEU 158 N -0.32 0.83 -1.35 1.55 5.85 -1.03 -2.78 115.31 118.05 1k8r h LEU 158 Ca 0.00 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1k8r h LEU 158 Cb 0.34 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1k8r h LEU 158 CO 0.00 0.96 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.89 1k8r h ARG 159 N 0.75 0.34 0.00 1.25 9.65 -0.47 -1.59 114.38 124.31 1k8r h ARG 159 Ca 0.12 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1k8r h ARG 159 Cb 0.61 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1k8r h ARG 159 CO 0.04 0.43 -0.06 -0.09 2.80 0.00 0.00 179.97 183.09 1k8r h ARG 160 N 0.32 0.00 0.00 0.20 9.65 -0.63 -0.26 114.38 123.66 1k8r h ARG 160 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1k8r h ARG 160 Cb 0.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1k8r h ARG 160 CO 0.02 0.06 0.00 0.43 2.80 0.00 0.00 179.97 183.28 1k8r n SER 161 N -3.48 0.00 0.22 -3.80 7.64 -0.60 -3.04 113.62 110.57 1k8r n SER 161 Ca -0.02 -0.64 0.13 0.00 1.01 0.00 0.00 58.87 59.35 1k8r n SER 161 Cb 0.19 0.00 0.74 0.00 -1.01 0.00 0.00 64.21 64.13 1k8r n SER 161 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 1k8r h TRP 162 N 0.00 0.00 -1.18 1.43 0.09 -1.20 -3.40 115.95 111.69 1k8r h TRP 162 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 58.89 58.47 1k8r h TRP 162 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 29.22 1k8r h TRP 162 CO 0.00 0.00 1.62 -0.85 0.09 0.00 0.00 178.44 179.30 1k8r n GLU 163 N -4.25 0.88 -4.84 0.12 0.28 -1.17 -4.93 120.64 106.74 1k8r n GLU 163 Ca -0.00 0.08 -0.25 0.00 -0.16 0.00 0.00 57.16 56.83 1k8r n GLU 163 Cb 0.20 -2.83 -0.16 0.00 1.43 0.00 0.00 31.44 30.09 1k8r n GLU 163 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1k8r s ILE 164 N 10.42 1.41 0.00 3.84 2.07 -1.26 -5.03 121.20 132.64 1k8r s ILE 164 Ca 1.09 -0.74 0.00 0.00 -1.41 0.00 0.00 60.65 59.59 1k8r s ILE 164 Cb -0.55 -1.19 0.00 0.00 0.13 0.00 0.00 42.46 40.86 1k8r s ILE 164 CO 0.36 0.40 0.31 -0.62 -1.91 0.00 0.00 174.94 173.48