#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s79 s ARG 101 N 0.00 3.37 -0.13 1.61 1.70 -1.26 -4.87 118.95 119.37 1s79 s ARG 101 Ca 0.00 -0.63 -0.08 0.00 -0.47 0.00 0.00 55.73 54.54 1s79 s ARG 101 Cb 0.00 -2.95 0.03 0.00 -0.57 0.00 0.00 34.95 31.46 1s79 s ARG 101 CO 0.00 -0.14 0.17 0.91 -1.08 0.00 0.00 175.30 175.15 1s79 n TRP 102 N 4.62 -3.07 -2.53 5.89 5.03 -1.26 -4.82 117.44 121.30 1s79 n TRP 102 Ca -0.18 1.77 -0.43 0.00 3.03 0.00 0.00 57.50 61.68 1s79 n TRP 102 Cb 0.51 -3.01 -0.02 0.00 -1.03 0.00 0.00 31.31 27.76 1s79 n TRP 102 CO 0.00 0.00 0.00 0.42 -0.03 0.00 0.00 177.69 178.08 1s79 s ILE 103 N -0.51 4.37 0.14 -0.99 -1.09 -1.26 -5.01 121.20 116.85 1s79 s ILE 103 Ca -0.19 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 1s79 s ILE 103 Cb 0.01 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1s79 s ILE 103 CO 0.55 -0.37 0.02 0.18 -1.23 0.00 0.00 174.94 174.09 1s79 n LEU 104 N 6.98 0.00 0.00 2.97 7.99 -1.26 -5.02 117.00 128.66 1s79 n LEU 104 Ca 0.13 -0.84 0.00 0.00 -0.01 0.00 0.00 56.01 55.30 1s79 n LEU 104 Cb 0.46 0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 1s79 n LEU 104 CO 0.59 -0.16 0.00 0.29 -1.51 0.00 0.00 177.39 176.59 1s79 n LYS 105 N -0.44 0.00 -2.72 3.23 4.01 -1.26 -4.33 118.16 116.65 1s79 n LYS 105 Ca -0.05 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.34 1s79 n LYS 105 Cb 0.17 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.65 1s79 n LYS 105 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 1s79 s ASN 106 N -4.00 7.48 -0.22 4.39 0.01 -1.26 -4.95 114.94 116.39 1s79 s ASN 106 Ca 0.00 1.80 -0.29 0.00 -0.71 0.00 0.00 52.86 53.66 1s79 s ASN 106 Cb 0.00 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 1s79 s ASN 106 CO 0.00 -0.09 2.21 0.47 -1.51 0.00 0.00 177.10 178.18 1s79 n ASP 107 N 2.85 3.15 0.22 -1.22 9.92 -1.26 -4.81 116.55 125.40 1s79 n ASP 107 Ca 0.03 0.26 0.10 0.00 -0.53 0.00 0.00 54.79 54.65 1s79 n ASP 107 Cb 0.49 -1.52 0.40 0.00 -0.64 0.00 0.00 41.12 39.86 1s79 n ASP 107 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1s79 h VAL 108 N 7.07 0.50 0.12 2.53 -1.51 -1.92 -3.16 116.25 119.87 1s79 h VAL 108 Ca -0.40 -1.19 -0.01 0.00 -1.23 0.00 0.00 66.70 63.88 1s79 h VAL 108 Cb 1.25 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.26 1s79 h VAL 108 CO 0.97 0.22 -0.06 0.50 -1.23 0.00 0.00 177.57 177.97 1s79 h LYS 109 N 0.00 -0.15 0.00 5.19 3.64 -1.95 -1.87 116.57 121.43 1s79 h LYS 109 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1s79 h LYS 109 Cb 0.82 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1s79 h LYS 109 CO 0.03 0.10 0.00 0.09 -2.27 0.00 0.00 179.45 177.40 1s79 n ASN 110 N -5.05 0.00 -0.16 4.20 4.13 -1.22 -2.32 115.26 114.84 1s79 n ASN 110 Ca -0.09 -0.59 0.04 0.00 1.68 0.00 0.00 54.58 55.63 1s79 n ASN 110 Cb 0.18 -0.01 0.08 0.00 -1.54 0.00 0.00 39.78 38.49 1s79 n ASN 110 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1s79 n ARG 111 N -1.01 2.45 -4.65 3.52 0.63 -0.85 -4.61 116.66 112.13 1s79 n ARG 111 Ca 0.15 -2.00 -0.33 0.00 -0.92 0.00 0.00 57.85 54.74 1s79 n ARG 111 Cb 0.07 -1.25 -0.12 0.00 0.45 0.00 0.00 32.46 31.61 1s79 n ARG 111 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1s79 s SER 112 N -1.65 4.46 0.03 6.15 0.01 -0.76 -3.59 113.70 118.35 1s79 s SER 112 Ca 0.16 -0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.30 1s79 s SER 112 Cb 0.13 -1.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.01 1s79 s SER 112 CO 0.03 0.28 -0.06 -0.69 0.41 0.00 0.00 173.24 173.22 1s79 s VAL 113 N -0.35 0.36 -0.02 3.43 1.01 0.03 -4.00 120.40 120.86 1s79 s VAL 113 Ca 0.05 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1s79 s VAL 113 Cb -0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1s79 s VAL 113 CO 0.02 -0.38 -0.18 -0.47 0.00 0.00 0.00 175.10 174.10 1s79 s TYR 114 N -1.28 1.63 -0.05 5.22 5.04 -0.07 0.68 117.35 128.53 1s79 s TYR 114 Ca -0.11 -0.34 0.05 0.00 -2.44 0.00 0.00 57.07 54.23 1s79 s TYR 114 Cb -0.09 -1.06 -0.01 0.00 0.35 0.00 0.00 41.96 41.15 1s79 s TYR 114 CO -0.00 -0.06 -0.20 0.42 -1.34 0.00 0.00 175.55 174.37 1s79 s ILE 115 N -0.33 1.65 -0.03 3.14 1.01 -0.92 0.50 121.20 126.21 1s79 s ILE 115 Ca 0.05 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.90 1s79 s ILE 115 Cb -0.08 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 1s79 s ILE 115 CO -0.00 0.47 -0.17 -0.75 0.00 0.00 0.00 174.94 174.49 1s79 s LYS 116 N -0.05 1.63 0.00 2.79 2.36 0.22 -3.01 119.74 123.68 1s79 s LYS 116 Ca -0.03 -0.61 0.00 0.00 -2.55 0.00 0.00 55.97 52.78 1s79 s LYS 116 Cb -0.12 -1.47 0.00 0.00 -1.05 0.00 0.00 37.83 35.19 1s79 s LYS 116 CO 0.03 0.29 0.00 0.41 1.55 0.00 0.00 175.35 177.63 1s79 n GLY 117 N 2.97 0.79 3.37 5.54 0.00 -1.26 -0.98 105.19 115.62 1s79 n GLY 117 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1s79 n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s79 n PHE 118 N 0.00 -1.27 -0.60 1.61 3.72 -1.25 -3.87 117.46 115.80 1s79 n PHE 118 Ca 0.00 0.14 -0.28 0.00 -0.05 0.00 0.00 57.45 57.25 1s79 n PHE 118 Cb 0.00 -1.68 0.24 0.00 -0.94 0.00 0.00 39.48 37.11 1s79 n PHE 118 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1s79 s PRO 119 N -3.72 -0.75 0.00 -1.08 0.02 -1.26 -4.84 135.00 123.37 1s79 s PRO 119 Ca 0.59 0.86 0.14 0.00 0.02 0.00 0.00 61.00 62.60 1s79 s PRO 119 Cb -0.17 -1.57 0.74 0.00 0.02 0.00 0.00 34.50 33.52 1s79 s PRO 119 CO 0.66 -3.62 1.31 0.25 -0.33 0.00 0.00 177.00 175.27 1s79 n THR 120 N -4.84 0.37 -2.62 0.99 -2.24 -1.26 -2.56 114.28 102.12 1s79 n THR 120 Ca 0.04 0.09 -0.02 0.00 -2.27 0.00 0.00 64.05 61.89 1s79 n THR 120 Cb 0.54 -0.87 0.05 0.00 -2.10 0.00 0.00 70.33 67.95 1s79 n THR 120 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1s79 n ASP 121 N -1.17 1.83 -3.74 3.42 2.03 -1.26 -5.00 116.55 112.67 1s79 n ASP 121 Ca 0.08 -2.30 -0.36 0.00 0.52 0.00 0.00 54.79 52.73 1s79 n ASP 121 Cb 0.08 -0.43 -0.11 0.00 -0.72 0.00 0.00 41.12 39.94 1s79 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s79 n ALA 122 N -0.39 0.66 -1.43 -1.67 0.00 -1.06 -4.81 120.51 111.83 1s79 n ALA 122 Ca 0.12 -2.48 -0.30 0.00 0.00 0.00 0.00 53.44 50.78 1s79 n ALA 122 Cb 0.89 -3.47 0.19 0.00 0.00 0.00 0.00 19.45 17.07 1s79 n ALA 122 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s79 s THR 123 N 8.80 1.84 0.29 0.00 -4.23 -1.26 -4.48 115.64 116.61 1s79 s THR 123 Ca 0.68 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.20 1s79 s THR 123 Cb 0.10 -2.69 0.28 0.00 1.34 0.00 0.00 72.50 71.54 1s79 s THR 123 CO 0.30 0.00 1.87 0.25 -0.54 0.00 0.00 174.62 176.50 1s79 h LEU 124 N -1.99 0.92 -0.29 4.79 7.12 -1.98 0.41 115.31 124.29 1s79 h LEU 124 Ca -0.47 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.44 1s79 h LEU 124 Cb 1.29 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1s79 h LEU 124 CO 0.45 0.54 -0.29 -0.78 -0.13 0.00 0.00 178.44 178.23 1s79 h ASP 125 N 1.02 0.76 -0.09 1.25 3.58 -1.95 -0.02 116.42 120.96 1s79 h ASP 125 Ca 0.45 -0.47 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 1s79 h ASP 125 Cb 0.36 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1s79 h ASP 125 CO -0.21 1.08 -0.05 -0.78 -2.88 0.00 0.00 179.24 176.40 1s79 h ASP 126 N 0.45 0.20 -0.69 2.28 1.82 -1.65 -1.30 116.42 117.53 1s79 h ASP 126 Ca 0.05 -0.42 -0.04 0.00 -0.39 0.00 0.00 57.03 56.23 1s79 h ASP 126 Cb 0.86 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.79 1s79 h ASP 126 CO 0.07 0.57 0.27 0.40 -1.61 0.00 0.00 179.24 178.94 1s79 h ILE 127 N -0.17 1.25 0.00 2.25 2.04 -0.26 -2.16 117.51 120.45 1s79 h ILE 127 Ca 0.02 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1s79 h ILE 127 Cb 0.50 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1s79 h ILE 127 CO 0.01 0.31 -0.19 0.50 0.00 0.00 0.00 178.15 178.79 1s79 h LYS 128 N 0.99 0.00 -0.39 2.37 3.64 -0.97 -2.86 116.57 119.36 1s79 h LYS 128 Ca 0.23 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1s79 h LYS 128 Cb 0.23 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1s79 h LYS 128 CO -0.02 0.19 -0.15 0.93 -2.27 0.00 0.00 179.45 178.13 1s79 h GLU 129 N 0.00 0.79 -0.20 1.90 3.07 -0.56 -0.60 114.58 118.98 1s79 h GLU 129 Ca -0.00 -0.33 -0.16 0.00 -0.50 0.00 0.00 59.36 58.37 1s79 h GLU 129 Cb 0.63 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.50 1s79 h GLU 129 CO 0.02 0.95 -0.54 2.35 -1.40 0.00 0.00 179.01 180.39 1s79 h TRP 130 N 0.59 0.72 -0.20 4.33 7.01 -1.40 -3.02 115.95 123.99 1s79 h TRP 130 Ca 0.09 -0.25 -0.09 0.00 2.11 0.00 0.00 58.89 60.75 1s79 h TRP 130 Cb 0.69 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1s79 h TRP 130 CO 0.05 0.99 -0.22 -0.07 -2.79 0.00 0.00 178.44 176.41 1s79 h LEU 131 N 0.44 0.54 -2.04 0.65 3.38 -1.42 -2.91 115.31 113.95 1s79 h LEU 131 Ca 0.01 -0.48 0.09 0.00 0.09 0.00 0.00 57.88 57.58 1s79 h LEU 131 Cb 1.09 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1s79 h LEU 131 CO 0.10 0.91 0.23 -0.08 0.09 0.00 0.00 178.44 179.69 1s79 h GLU 132 N 0.18 0.00 -0.58 1.13 4.57 -1.11 0.29 114.58 119.06 1s79 h GLU 132 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1s79 h GLU 132 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1s79 h GLU 132 CO 0.05 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.63 1s79 n ASP 133 N -4.32 3.12 0.00 1.04 9.92 -1.11 -4.74 116.55 120.45 1s79 n ASP 133 Ca 0.04 -2.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.07 1s79 n ASP 133 Cb 0.39 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1s79 n ASP 133 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1s79 n LYS 134 N 0.69 0.00 -0.37 -1.24 5.02 0.10 -5.07 118.16 117.29 1s79 n LYS 134 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 1s79 n LYS 134 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1s79 n LYS 134 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1s79 n GLY 135 N 0.00 -3.62 3.69 0.72 0.00 -1.19 -4.50 105.19 100.28 1s79 n GLY 135 Ca 0.00 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.83 1s79 n GLY 135 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s79 s GLN 136 N -3.41 4.03 -0.10 1.61 -2.07 -1.26 -4.10 119.66 114.35 1s79 s GLN 136 Ca 0.00 -0.28 -0.00 0.00 -1.82 0.00 0.00 55.36 53.25 1s79 s GLN 136 Cb 0.00 -3.29 -0.03 0.00 -1.09 0.00 0.00 33.01 28.60 1s79 s GLN 136 CO 0.00 0.31 -0.08 0.54 -1.32 0.00 0.00 175.29 174.75 1s79 s VAL 137 N 0.28 3.57 -0.27 3.63 0.11 -1.26 -3.72 120.40 122.73 1s79 s VAL 137 Ca 0.06 -0.50 0.21 0.00 -2.93 0.00 0.00 61.98 58.81 1s79 s VAL 137 Cb -0.12 -2.49 0.08 0.00 -1.53 0.00 0.00 36.38 32.33 1s79 s VAL 137 CO -0.01 0.55 1.22 0.25 -3.33 0.00 0.00 175.10 173.78 1s79 h LEU 138 N 5.98 0.00 -7.37 2.54 5.85 -1.04 -3.46 115.31 117.81 1s79 h LEU 138 Ca -0.39 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.14 1s79 h LEU 138 Cb 1.18 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.92 1s79 h LEU 138 CO 0.56 0.14 -0.49 0.21 -0.34 0.00 0.00 178.44 178.52 1s79 s ASN 139 N -5.78 -0.25 -0.05 1.25 3.84 -1.05 -5.01 114.94 107.88 1s79 s ASN 139 Ca 0.02 0.51 0.01 0.00 0.21 0.00 0.00 52.86 53.61 1s79 s ASN 139 Cb 0.08 0.40 0.02 0.00 -0.55 0.00 0.00 41.25 41.20 1s79 s ASN 139 CO 0.75 -0.16 -0.06 -0.51 -2.79 0.00 0.00 177.10 174.34 1s79 s ILE 140 N 1.17 0.64 -0.21 -5.21 2.07 -1.26 0.11 121.20 118.51 1s79 s ILE 140 Ca -0.09 -0.18 -0.07 0.00 -1.41 0.00 0.00 60.65 58.91 1s79 s ILE 140 Cb -0.10 -0.65 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 1s79 s ILE 140 CO -0.08 0.25 0.05 -1.58 -1.91 0.00 0.00 174.94 171.67 1s79 s GLN 141 N 0.93 3.74 -0.21 3.50 2.00 0.36 -4.91 119.66 125.07 1s79 s GLN 141 Ca -0.11 -0.45 -0.25 0.00 -2.00 0.00 0.00 55.36 52.55 1s79 s GLN 141 Cb -0.14 -3.21 -0.01 0.00 0.80 0.00 0.00 33.01 30.44 1s79 s GLN 141 CO 0.00 0.02 0.84 0.00 -0.50 0.00 0.00 175.29 175.65 1s79 s MET 142 N 1.03 4.23 -0.33 1.67 0.23 -1.26 0.15 119.30 125.02 1s79 s MET 142 Ca 0.03 0.99 -0.21 0.00 -1.03 0.00 0.00 55.69 55.47 1s79 s MET 142 Cb -0.14 -3.62 -0.00 0.00 -1.53 0.00 0.00 34.83 29.54 1s79 s MET 142 CO 0.03 -0.45 0.67 0.50 -2.03 0.00 0.00 175.02 173.74 1s79 s ARG 143 N 2.59 3.80 0.42 3.16 3.52 0.55 -4.93 118.95 128.07 1s79 s ARG 143 Ca 0.37 0.24 0.07 0.00 -0.13 0.00 0.00 55.73 56.27 1s79 s ARG 143 Cb -0.16 -3.77 -0.06 0.00 -1.56 0.00 0.00 34.95 29.40 1s79 s ARG 143 CO 0.09 -0.69 0.08 0.50 -0.81 0.00 0.00 175.30 174.48 1s79 s ARG 144 N 2.76 2.08 0.10 5.12 3.52 -1.26 -3.04 118.95 128.23 1s79 s ARG 144 Ca 0.27 -2.03 -0.02 0.00 -0.13 0.00 0.00 55.73 53.81 1s79 s ARG 144 Cb -0.14 -1.77 -0.03 0.00 -1.56 0.00 0.00 34.95 31.44 1s79 s ARG 144 CO 0.14 -0.11 0.06 -0.08 -0.81 0.00 0.00 175.30 174.50 1s79 s THR 145 N -2.68 0.14 0.52 4.11 -1.32 -1.26 -4.94 115.64 110.21 1s79 s THR 145 Ca 0.35 -1.76 -0.18 0.00 -1.21 0.00 0.00 61.69 58.89 1s79 s THR 145 Cb 0.07 -1.78 -0.13 0.00 -1.51 0.00 0.00 72.50 69.15 1s79 s THR 145 CO 0.19 -0.66 0.10 0.18 -2.21 0.00 0.00 174.62 172.22 1s79 n LEU 146 N -0.03 -2.17 -0.18 9.08 4.77 -1.26 -4.58 117.00 122.63 1s79 n LEU 146 Ca -0.09 0.69 0.22 0.00 -0.03 0.00 0.00 56.01 56.80 1s79 n LEU 146 Cb 0.63 -0.96 0.62 0.00 -2.33 0.00 0.00 43.42 41.37 1s79 n LEU 146 CO 0.28 -4.20 1.23 0.45 -1.33 0.00 0.00 177.39 173.82 1s79 h HIS 147 N 0.08 0.26 -0.45 -1.77 3.86 -2.04 2.16 115.15 117.25 1s79 h HIS 147 Ca -0.42 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1s79 h HIS 147 Cb 1.43 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.82 1s79 h HIS 147 CO 0.26 0.07 0.00 1.17 0.86 0.00 0.00 177.93 180.29 1s79 n LYS 148 N -4.40 3.57 -4.45 2.45 4.81 -1.26 -4.86 118.16 114.02 1s79 n LYS 148 Ca 0.17 -2.26 -0.30 0.00 -0.87 0.00 0.00 58.31 55.05 1s79 n LYS 148 Cb 0.77 -1.94 -0.12 0.00 0.02 0.00 0.00 35.03 33.76 1s79 n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1s79 s ALA 149 N -2.10 2.65 -0.23 3.14 0.00 0.73 -5.12 121.76 120.83 1s79 s ALA 149 Ca 0.40 -1.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 1s79 s ALA 149 Cb 0.28 -0.69 -0.00 0.00 0.00 0.00 0.00 23.12 22.72 1s79 s ALA 149 CO 0.14 0.59 -0.04 -0.59 0.00 0.00 0.00 175.76 175.86 1s79 s PHE 150 N -1.06 2.98 0.00 0.00 -0.71 -1.26 -4.58 117.98 113.36 1s79 s PHE 150 Ca 0.17 -1.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.02 1s79 s PHE 150 Cb -0.11 -2.11 0.00 0.00 -1.21 0.00 0.00 43.02 39.60 1s79 s PHE 150 CO 0.08 -0.58 0.00 1.17 -1.34 0.00 0.00 175.22 174.55 1s79 n LYS 151 N 4.78 0.00 -0.68 1.99 4.81 -1.26 -4.94 118.16 122.86 1s79 n LYS 151 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1s79 n LYS 151 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1s79 n LYS 151 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s79 n GLY 152 N 4.33 1.10 3.63 3.14 0.00 -1.25 -4.95 105.19 111.19 1s79 n GLY 152 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1s79 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s79 s SER 153 N -2.42 4.76 -0.10 1.61 0.01 -1.17 -3.89 113.70 112.50 1s79 s SER 153 Ca 0.00 -0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 1s79 s SER 153 Cb 0.00 -1.09 0.04 0.00 0.21 0.00 0.00 66.02 65.18 1s79 s SER 153 CO 0.00 0.22 0.23 0.27 0.41 0.00 0.00 173.24 174.37 1s79 s ILE 154 N -1.17 -0.03 -0.03 1.44 -0.00 -1.16 0.21 121.20 120.45 1s79 s ILE 154 Ca 0.21 0.12 -0.18 0.00 -0.00 0.00 0.00 60.65 60.81 1s79 s ILE 154 Cb -0.11 -0.35 -0.05 0.00 -0.00 0.00 0.00 42.46 41.94 1s79 s ILE 154 CO 0.13 0.05 0.48 -0.36 -0.00 0.00 0.00 174.94 175.24 1s79 s PHE 155 N 1.01 3.66 -0.06 1.37 0.40 0.41 -2.16 117.98 122.61 1s79 s PHE 155 Ca -0.07 1.03 0.04 0.00 -0.60 0.00 0.00 56.93 57.33 1s79 s PHE 155 Cb -0.09 -2.46 -0.00 0.00 0.51 0.00 0.00 43.02 40.98 1s79 s PHE 155 CO -0.06 0.42 -0.19 0.08 0.70 0.00 0.00 175.22 176.17 1s79 s VAL 156 N -0.35 1.61 -0.24 -0.44 1.01 0.22 0.13 120.40 122.34 1s79 s VAL 156 Ca 0.26 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1s79 s VAL 156 Cb -0.17 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.84 1s79 s VAL 156 CO 0.14 0.46 -0.07 -0.69 0.00 0.00 0.00 175.10 174.94 1s79 s VAL 157 N 0.17 2.87 0.74 2.92 1.01 0.31 -0.79 120.40 127.62 1s79 s VAL 157 Ca -0.09 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.81 1s79 s VAL 157 Cb -0.14 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1s79 s VAL 157 CO 0.04 0.24 1.09 -0.36 0.00 0.00 0.00 175.10 176.11 1s79 s PHE 158 N 1.34 2.68 0.19 5.22 0.40 -1.24 -0.53 117.98 126.04 1s79 s PHE 158 Ca 0.01 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 57.91 1s79 s PHE 158 Cb -0.16 -3.04 0.09 0.00 0.51 0.00 0.00 43.02 40.42 1s79 s PHE 158 CO -0.05 -1.68 1.44 0.22 0.70 0.00 0.00 175.22 175.86 1s79 h ASP 159 N -0.86 0.25 -3.43 1.36 3.58 -1.89 -3.41 116.42 112.01 1s79 h ASP 159 Ca -0.44 -0.18 -0.66 0.00 0.42 0.00 0.00 57.03 56.17 1s79 h ASP 159 Cb 1.23 -0.07 -0.21 0.00 1.72 0.00 0.00 39.33 41.99 1s79 h ASP 159 CO 0.53 0.93 -0.69 -0.94 -2.88 0.00 0.00 179.24 176.19 1s79 s SER 160 N -6.91 4.65 0.17 2.28 1.04 -1.26 -5.01 113.70 108.66 1s79 s SER 160 Ca -0.03 -0.11 -0.12 0.00 0.48 0.00 0.00 55.95 56.17 1s79 s SER 160 Cb 0.11 -1.54 0.07 0.00 0.10 0.00 0.00 66.02 64.75 1s79 s SER 160 CO 0.82 0.24 1.69 0.40 0.98 0.00 0.00 173.24 177.37 1s79 h ILE 161 N 4.84 1.24 -0.45 -1.02 2.04 -1.86 -2.25 117.51 120.06 1s79 h ILE 161 Ca -0.37 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1s79 h ILE 161 Cb 1.19 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1s79 h ILE 161 CO 0.58 0.31 0.20 -0.08 0.00 0.00 0.00 178.15 179.16 1s79 h GLU 162 N 0.83 0.63 0.00 2.37 4.81 -1.95 -1.79 114.58 119.49 1s79 h GLU 162 Ca 0.19 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1s79 h GLU 162 Cb 0.30 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1s79 h GLU 162 CO -0.00 0.51 -0.53 0.77 -0.73 0.00 0.00 179.01 179.03 1s79 h SER 163 N 0.63 0.00 -0.04 1.04 0.02 -1.87 -2.72 113.55 110.61 1s79 h SER 163 Ca 0.16 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.93 1s79 h SER 163 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1s79 h SER 163 CO -0.02 0.53 -0.62 0.00 -1.14 0.00 0.00 176.83 175.58 1s79 h ALA 164 N 1.47 0.56 -0.17 3.77 0.00 -0.76 -2.99 119.26 121.15 1s79 h ALA 164 Ca -0.01 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.19 1s79 h ALA 164 Cb 1.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1s79 h ALA 164 CO 0.07 0.70 -0.61 0.87 0.00 0.00 0.00 179.25 180.27 1s79 h LYS 165 N 0.48 0.57 -0.03 0.00 1.57 -1.39 -3.02 116.57 114.75 1s79 h LYS 165 Ca -0.01 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.34 1s79 h LYS 165 Cb 1.20 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1s79 h LYS 165 CO 0.12 1.01 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.62 1s79 h LYS 166 N 0.42 0.05 -0.22 3.15 3.11 -1.47 0.78 116.57 122.40 1s79 h LYS 166 Ca -0.01 -0.01 -0.19 0.00 -2.81 0.00 0.00 60.65 57.64 1s79 h LYS 166 Cb 1.18 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1s79 h LYS 166 CO 0.12 0.22 -0.61 0.35 -2.81 0.00 0.00 179.45 176.72 1s79 h PHE 167 N 0.04 0.96 0.02 1.91 3.57 -1.40 -2.92 116.94 119.13 1s79 h PHE 167 Ca 0.01 -0.37 -0.21 0.00 3.53 0.00 0.00 57.97 60.93 1s79 h PHE 167 Cb 0.34 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1s79 h PHE 167 CO 0.00 1.17 -1.00 0.28 -2.23 0.00 0.00 178.31 176.53 1s79 h VAL 168 N 0.56 1.65 0.00 1.41 2.07 -1.37 -3.07 116.25 117.50 1s79 h VAL 168 Ca -0.01 -3.21 0.00 0.00 0.82 0.00 0.00 66.70 64.31 1s79 h VAL 168 Cb 1.21 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1s79 h VAL 168 CO 0.13 0.92 0.00 1.21 0.02 0.00 0.00 177.57 179.85 1s79 n GLU 169 N -3.44 0.73 -2.83 1.57 2.13 0.23 -4.78 120.64 114.25 1s79 n GLU 169 Ca -0.02 0.01 -0.37 0.00 0.66 0.00 0.00 57.16 57.44 1s79 n GLU 169 Cb 0.92 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 31.06 1s79 n GLU 169 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1s79 s THR 170 N -2.07 4.27 0.99 6.31 2.01 -1.11 -5.01 115.64 121.03 1s79 s THR 170 Ca 0.36 1.74 -0.16 0.00 0.31 0.00 0.00 61.69 63.94 1s79 s THR 170 Cb 0.17 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1s79 s THR 170 CO 0.30 0.15 -0.10 -0.81 -0.69 0.00 0.00 174.62 173.46 1s79 n PRO 171 N 0.57 -0.35 -1.63 4.92 -0.04 -1.26 -4.65 135.00 132.56 1s79 n PRO 171 Ca 0.01 -0.08 -0.62 0.00 -0.04 0.00 0.00 63.50 62.77 1s79 n PRO 171 Cb 0.50 -1.54 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1s79 n PRO 171 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s79 n GLY 172 N 2.25 0.07 3.06 0.55 0.00 -1.26 -4.91 105.19 104.94 1s79 n GLY 172 Ca 0.03 0.87 -0.32 0.00 0.00 0.00 0.00 46.02 46.60 1s79 n GLY 172 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s79 s GLN 173 N 1.56 2.31 -0.03 1.61 -1.52 -1.26 -5.11 119.66 117.23 1s79 s GLN 173 Ca 0.97 -1.13 0.07 0.00 -1.95 0.00 0.00 55.36 53.32 1s79 s GLN 173 Cb -1.32 -2.72 -0.02 0.00 -0.22 0.00 0.00 33.01 28.73 1s79 s GLN 173 CO 0.67 -0.47 -0.24 0.15 -0.25 0.00 0.00 175.29 175.15 1s79 s LYS 174 N 1.21 2.27 -0.11 2.91 1.02 -1.25 -4.28 119.74 121.50 1s79 s LYS 174 Ca -0.05 -0.89 -0.17 0.00 0.02 0.00 0.00 55.97 54.88 1s79 s LYS 174 Cb -0.18 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 1s79 s LYS 174 CO -0.07 0.52 0.45 -0.47 -0.92 0.00 0.00 175.35 174.86 1s79 s TYR 175 N -0.51 3.52 0.00 3.18 5.04 -1.17 -4.80 117.35 122.62 1s79 s TYR 175 Ca 0.07 0.86 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1s79 s TYR 175 Cb -0.11 -2.50 0.00 0.00 0.35 0.00 0.00 41.96 39.70 1s79 s TYR 175 CO 0.00 0.21 0.00 0.36 -1.34 0.00 0.00 175.55 174.79 1s79 n LYS 176 N 3.51 0.79 0.00 4.97 2.85 -1.26 -3.17 118.16 125.85 1s79 n LYS 176 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1s79 n LYS 176 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 1s79 n LYS 176 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1s79 n GLU 177 N -0.52 0.00 -2.74 -1.58 2.13 -1.26 -4.01 120.64 112.66 1s79 n GLU 177 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 1s79 n GLU 177 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1s79 n GLU 177 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1s79 s THR 178 N 0.00 4.82 -0.33 6.31 2.01 -1.26 -4.95 115.64 122.24 1s79 s THR 178 Ca 0.00 1.94 -0.28 0.00 0.31 0.00 0.00 61.69 63.66 1s79 s THR 178 Cb 0.00 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1s79 s THR 178 CO 0.00 0.03 2.09 -0.62 -0.69 0.00 0.00 174.62 175.43 1s79 s ASP 179 N 1.09 5.39 -0.24 3.53 2.15 -1.24 -4.28 116.67 123.07 1s79 s ASP 179 Ca 0.46 1.44 -0.13 0.00 0.43 0.00 0.00 52.55 54.75 1s79 s ASP 179 Cb -0.18 -2.51 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 1s79 s ASP 179 CO 0.17 -2.08 0.27 -0.22 -0.17 0.00 0.00 175.17 173.14 1s79 s LEU 180 N 8.63 4.11 -0.11 -1.34 1.98 -1.19 -4.05 118.68 126.71 1s79 s LEU 180 Ca 0.91 0.25 0.03 0.00 -2.89 0.00 0.00 54.13 52.43 1s79 s LEU 180 Cb -0.25 -2.28 0.01 0.00 0.66 0.00 0.00 46.19 44.33 1s79 s LEU 180 CO 0.32 -0.02 -0.20 -0.22 -1.89 0.00 0.00 176.35 174.33 1s79 s LEU 181 N 1.34 1.97 -0.24 -0.68 1.98 -0.15 -3.02 118.68 119.87 1s79 s LEU 181 Ca 0.12 -0.51 -0.13 0.00 -2.89 0.00 0.00 54.13 50.72 1s79 s LEU 181 Cb -0.14 -1.29 -0.04 0.00 0.66 0.00 0.00 46.19 45.38 1s79 s LEU 181 CO 0.07 0.10 0.28 -0.63 -1.89 0.00 0.00 176.35 174.28 1s79 s ILE 182 N 0.61 5.26 0.05 6.68 1.01 -1.26 -0.61 121.20 132.94 1s79 s ILE 182 Ca -0.13 0.42 0.08 0.00 0.00 0.00 0.00 60.65 61.01 1s79 s ILE 182 Cb -0.17 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1s79 s ILE 182 CO 0.04 0.26 -0.24 -0.22 0.00 0.00 0.00 174.94 174.78 1s79 s LEU 183 N 1.50 2.17 0.53 2.97 2.96 0.18 -4.98 118.68 124.01 1s79 s LEU 183 Ca 0.12 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1s79 s LEU 183 Cb -0.15 -1.15 0.01 0.00 0.50 0.00 0.00 46.19 45.41 1s79 s LEU 183 CO 0.08 0.21 0.78 0.12 -1.32 0.00 0.00 176.35 176.22 1s79 s PHE 184 N -0.80 3.14 0.04 5.38 5.36 -1.26 -0.90 117.98 128.94 1s79 s PHE 184 Ca 0.10 0.31 -0.19 0.00 -0.96 0.00 0.00 56.93 56.19 1s79 s PHE 184 Cb -0.09 -2.58 -0.16 0.00 -0.34 0.00 0.00 43.02 39.85 1s79 s PHE 184 CO 0.02 -0.66 1.29 0.87 -1.46 0.00 0.00 175.22 175.27 1s79 h LYS 185 N 0.10 0.43 -0.90 10.12 1.79 -1.90 -1.37 116.57 124.86 1s79 h LYS 185 Ca -0.45 -0.28 0.03 0.00 -2.18 0.00 0.00 60.65 57.77 1s79 h LYS 185 Cb 1.27 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 31.90 1s79 h LYS 185 CO 0.57 0.89 0.59 0.22 -1.08 0.00 0.00 179.45 180.64 1s79 h ASP 186 N 0.04 0.97 -0.08 0.86 3.58 -1.90 -0.78 116.42 119.11 1s79 h ASP 186 Ca 0.00 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1s79 h ASP 186 Cb 0.88 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.71 1s79 h ASP 186 CO 0.06 0.67 -0.58 0.44 -2.88 0.00 0.00 179.24 176.96 1s79 h ASP 187 N 1.13 0.64 -0.24 2.28 3.32 -1.95 -1.88 116.42 119.72 1s79 h ASP 187 Ca 0.35 -0.68 0.03 0.00 0.02 0.00 0.00 57.03 56.76 1s79 h ASP 187 Cb 0.00 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1s79 h ASP 187 CO -0.10 1.22 0.05 0.22 -1.72 0.00 0.00 179.24 178.91 1s79 h TYR 188 N 0.11 0.09 -0.18 4.55 5.03 -0.86 0.83 116.97 126.54 1s79 h TYR 188 Ca -0.05 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.25 1s79 h TYR 188 Cb 1.24 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.50 1s79 h TYR 188 CO 0.12 0.03 0.01 0.74 -1.32 0.00 0.00 178.16 177.74 1s79 h PHE 189 N 0.15 0.26 -0.00 -3.82 -1.00 -1.19 1.10 116.94 112.43 1s79 h PHE 189 Ca 0.11 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1s79 h PHE 189 Cb 0.10 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1s79 h PHE 189 CO -0.15 0.27 -0.04 0.00 -1.61 0.00 0.00 178.31 176.78 1s79 h ALA 190 N 1.76 0.01 0.00 2.45 0.00 -0.17 -1.81 119.26 121.50 1s79 h ALA 190 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1s79 h ALA 190 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1s79 h ALA 190 CO 0.00 -0.11 -0.39 -0.22 0.00 0.00 0.00 179.25 178.54 1s79 h LYS 191 N -0.66 0.00 0.03 0.00 3.64 0.87 -2.25 116.57 118.20 1s79 h LYS 191 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s79 h LYS 191 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1s79 h LYS 191 CO 0.01 0.39 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.34 1s79 h LYS 192 N 0.00 -0.04 -0.15 1.90 1.63 0.12 -3.36 116.57 116.67 1s79 h LYS 192 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1s79 h LYS 192 Cb 0.96 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.59 1s79 h LYS 192 CO 0.05 0.62 -0.06 -2.95 -3.45 0.00 0.00 179.45 173.66 1s79 h ASN 193 N -0.92 0.31 -4.47 4.20 -1.07 -1.41 -3.49 115.58 108.73 1s79 h ASN 193 Ca -0.00 -0.40 0.00 0.00 0.07 0.00 0.00 56.30 55.97 1s79 h ASN 193 Cb 0.68 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 1s79 h ASN 193 CO 0.01 0.64 -0.43 1.21 0.07 0.00 0.00 177.43 178.93 1s79 n GLU 194 N -4.66 -1.81 -3.47 4.14 4.07 -0.85 -5.07 120.64 113.00 1s79 n GLU 194 Ca -0.06 1.71 0.01 0.00 -0.06 0.00 0.00 57.16 58.77 1s79 n GLU 194 Cb 0.28 -4.15 -0.03 0.00 -0.06 0.00 0.00 31.44 27.48 1s79 n GLU 194 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1s79 s GLU 195 N -1.76 0.48 0.14 5.31 2.12 -1.26 -5.13 118.70 118.61 1s79 s GLU 195 Ca 0.11 1.14 -0.11 0.00 0.36 0.00 0.00 54.97 56.47 1s79 s GLU 195 Cb -0.03 0.68 -0.06 0.00 0.26 0.00 0.00 34.13 34.97 1s79 s GLU 195 CO 0.51 -0.25 0.49 1.03 -0.54 0.00 0.00 175.26 176.50 1s79 s ARG 196 N 2.78 3.83 0.06 4.30 1.81 -1.26 -5.00 118.95 125.48 1s79 s ARG 196 Ca -0.00 0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1s79 s ARG 196 Cb -0.11 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.51 1s79 s ARG 196 CO -0.19 0.47 0.00 1.17 -0.68 0.00 0.00 175.30 176.07 1s79 n LYS 197 N 0.55 0.00 -3.17 3.54 4.81 -1.26 -5.06 118.16 117.58 1s79 n LYS 197 Ca -0.05 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.06 1s79 n LYS 197 Cb 0.52 -0.41 -0.06 0.00 0.02 0.00 0.00 35.03 35.10 1s79 n LYS 197 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1s79 s GLN 198 N -2.00 4.06 1.25 1.64 0.74 -1.26 -5.05 119.66 119.03 1s79 s GLN 198 Ca 0.00 0.68 -0.19 0.00 0.05 0.00 0.00 55.36 55.90 1s79 s GLN 198 Cb 0.00 -2.62 0.27 0.00 1.10 0.00 0.00 33.01 31.77 1s79 s GLN 198 CO 0.00 0.26 0.62 0.27 -0.55 0.00 0.00 175.29 175.89 1s79 n ASN 199 N 0.05 -3.28 0.00 6.67 0.23 -1.26 -5.01 115.26 112.67 1s79 n ASN 199 Ca 0.01 -0.54 0.00 0.00 -0.53 0.00 0.00 54.58 53.52 1s79 n ASN 199 Cb 0.52 -0.96 0.00 0.00 -2.08 0.00 0.00 39.78 37.27 1s79 n ASN 199 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 1s79 n LYS 200 N -3.97 0.00 0.11 -3.83 4.81 -1.26 -4.99 118.16 109.03 1s79 n LYS 200 Ca 0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.49 1s79 n LYS 200 Cb 0.51 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.72 1s79 n LYS 200 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1s79 h VAL 201 N 0.00 1.39 -0.01 3.15 -1.51 -2.08 -3.56 116.25 113.64 1s79 h VAL 201 Ca 0.00 -1.95 0.00 0.00 -1.23 0.00 0.00 66.70 63.52 1s79 h VAL 201 Cb 0.00 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1s79 h VAL 201 CO 0.00 0.57 0.00 -0.62 -1.23 0.00 0.00 177.57 176.29