#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xur s ASN 105 N 0.00 -0.03 0.48 9.48 0.01 -1.26 -5.16 114.94 118.45 1xur s ASN 105 Ca 0.00 -0.01 0.05 0.00 -0.71 0.00 0.00 52.86 52.19 1xur s ASN 105 Cb 0.00 0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.87 1xur s ASN 105 CO 0.00 -0.22 0.13 0.68 -1.51 0.00 0.00 177.10 176.18 1xur s VAL 106 N -0.73 1.68 -0.32 1.60 -7.23 -1.26 -5.09 120.40 109.05 1xur s VAL 106 Ca -0.08 -1.82 -0.21 0.00 -1.81 0.00 0.00 61.98 58.06 1xur s VAL 106 Cb -0.05 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.38 1xur s VAL 106 CO 0.01 0.00 0.67 -0.36 -0.31 0.00 0.00 175.10 175.11 1xur s PHE 107 N -2.76 3.20 0.36 2.82 0.08 -1.26 -5.03 117.98 115.38 1xur s PHE 107 Ca 0.25 0.59 -0.28 0.00 0.12 0.00 0.00 56.93 57.60 1xur s PHE 107 Cb 0.03 -3.08 -0.11 0.00 -0.57 0.00 0.00 43.02 39.29 1xur s PHE 107 CO 0.14 -0.53 1.41 -1.25 -0.10 0.00 0.00 175.22 174.89 1xur s PRO 108 N 2.72 4.21 -0.22 0.24 0.04 -1.26 -5.03 135.00 135.70 1xur s PRO 108 Ca 0.27 2.42 0.01 0.00 0.04 0.00 0.00 61.00 63.74 1xur s PRO 108 Cb -0.15 -3.01 0.05 0.00 0.04 0.00 0.00 34.50 31.44 1xur s PRO 108 CO 0.13 -0.39 -0.08 1.03 0.04 0.00 0.00 177.00 177.73 1xur s ARG 109 N -1.97 1.85 -0.60 4.56 0.52 -1.26 -5.06 118.95 116.98 1xur s ARG 109 Ca 0.51 -0.97 -0.26 0.00 -0.52 0.00 0.00 55.73 54.49 1xur s ARG 109 Cb -0.44 -2.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1xur s ARG 109 CO 0.59 -0.53 1.89 0.99 0.02 0.00 0.00 175.30 178.26 1xur s THR 110 N 1.36 3.33 0.39 0.02 2.01 -1.26 -4.81 115.64 116.69 1xur s THR 110 Ca -0.04 0.19 0.27 0.00 0.31 0.00 0.00 61.69 62.41 1xur s THR 110 Cb -0.18 -3.88 0.28 0.00 0.01 0.00 0.00 72.50 68.73 1xur s THR 110 CO -0.07 -0.85 2.05 -0.07 -0.69 0.00 0.00 174.62 174.99 1xur h LEU 111 N 16.60 0.00 -7.00 4.42 3.38 -1.97 -3.39 115.31 127.34 1xur h LEU 111 Ca -0.26 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1xur h LEU 111 Cb 1.17 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.76 1xur h LEU 111 CO 1.21 0.13 0.37 -1.59 0.09 0.00 0.00 178.44 178.65 1xur s LYS 112 N -4.17 0.97 0.28 1.13 -2.85 -1.26 -4.63 119.74 109.21 1xur s LYS 112 Ca -0.03 -0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.45 1xur s LYS 112 Cb 0.13 0.45 -0.10 0.00 -2.06 0.00 0.00 37.83 36.25 1xur s LYS 112 CO 0.59 -0.39 1.43 -1.58 0.10 0.00 0.00 175.35 175.50 1xur s TRP 113 N -2.72 2.96 -1.91 1.78 0.52 -1.26 -4.88 118.94 113.43 1xur s TRP 113 Ca 0.00 1.11 0.29 0.00 0.02 0.00 0.00 56.10 57.52 1xur s TRP 113 Cb -0.01 -3.83 1.66 0.00 -1.15 0.00 0.00 33.47 30.15 1xur s TRP 113 CO -0.06 -2.59 2.04 0.43 0.02 0.00 0.00 176.95 176.79 1xur n SER 114 N 1.80 0.00 -4.17 2.95 7.64 -1.26 -4.78 113.62 115.80 1xur n SER 114 Ca 0.05 -0.77 -0.15 0.00 1.01 0.00 0.00 58.87 59.00 1xur n SER 114 Cb 0.40 -0.05 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 1xur n SER 114 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1xur s LYS 115 N -2.09 0.82 0.08 1.43 -2.85 -1.26 -5.05 119.74 110.82 1xur s LYS 115 Ca 0.40 -1.07 0.24 0.00 -1.00 0.00 0.00 55.97 54.53 1xur s LYS 115 Cb 0.20 -0.61 0.19 0.00 -2.06 0.00 0.00 37.83 35.55 1xur s LYS 115 CO 0.35 0.11 1.17 -1.33 0.10 0.00 0.00 175.35 175.74 1xur n MET 116 N 0.82 0.29 -3.66 1.78 2.81 -1.26 -4.78 117.12 113.12 1xur n MET 116 Ca -0.18 0.04 -0.39 0.00 -1.81 0.00 0.00 57.70 55.36 1xur n MET 116 Cb 0.56 -1.63 -0.12 0.00 -0.71 0.00 0.00 33.22 31.32 1xur n MET 116 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1xur s ASN 117 N -4.05 5.54 0.19 7.83 0.01 -1.26 -0.38 114.94 122.82 1xur s ASN 117 Ca 0.05 -0.63 0.10 0.00 -0.71 0.00 0.00 52.86 51.68 1xur s ASN 117 Cb 0.14 -1.99 -0.04 0.00 0.41 0.00 0.00 41.25 39.76 1xur s ASN 117 CO 0.76 -0.23 -0.17 -0.76 -1.51 0.00 0.00 177.10 175.20 1xur s LEU 118 N 1.59 2.70 0.15 0.60 1.43 0.04 -4.98 118.68 120.20 1xur s LEU 118 Ca 0.04 -0.74 0.09 0.00 -1.03 0.00 0.00 54.13 52.49 1xur s LEU 118 Cb -0.17 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1xur s LEU 118 CO 0.06 0.11 -0.17 0.42 0.23 0.00 0.00 176.35 176.99 1xur s THR 119 N -1.74 2.82 0.05 5.49 -4.23 -1.26 -1.31 115.64 115.45 1xur s THR 119 Ca 0.23 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1xur s THR 119 Cb -0.08 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.40 1xur s THR 119 CO 0.13 0.00 0.02 -0.72 -0.54 0.00 0.00 174.62 173.51 1xur s TYR 120 N -1.38 0.37 -0.06 3.99 -0.85 -0.72 -0.84 117.35 117.87 1xur s TYR 120 Ca 0.20 -0.81 -0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1xur s TYR 120 Cb -0.10 -0.27 0.03 0.00 0.38 0.00 0.00 41.96 42.01 1xur s TYR 120 CO 0.11 -0.36 0.12 0.50 -1.52 0.00 0.00 175.55 174.41 1xur s ARG 121 N -3.18 0.07 -0.58 -3.49 3.52 -0.78 -0.55 118.95 113.96 1xur s ARG 121 Ca 0.00 0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 55.71 1xur s ARG 121 Cb 0.02 -0.17 0.07 0.00 -1.56 0.00 0.00 34.95 33.31 1xur s ARG 121 CO -0.07 -0.15 0.82 0.42 -0.81 0.00 0.00 175.30 175.50 1xur s ILE 122 N 1.05 4.58 0.09 4.11 1.01 -1.26 -0.51 121.20 130.27 1xur s ILE 122 Ca -0.08 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 1xur s ILE 122 Cb -0.11 -4.50 -0.09 0.00 0.01 0.00 0.00 42.46 37.77 1xur s ILE 122 CO -0.05 -1.13 1.42 0.58 0.00 0.00 0.00 174.94 175.76 1xur h VAL 123 N 5.94 1.31 -4.05 2.92 2.07 -1.01 -3.48 116.25 119.95 1xur h VAL 123 Ca -0.28 -1.40 -0.23 0.00 0.82 0.00 0.00 66.70 65.62 1xur h VAL 123 Cb 1.08 1.59 -0.09 0.00 -1.52 0.00 0.00 31.29 32.36 1xur h VAL 123 CO 1.08 0.44 -0.21 0.54 0.02 0.00 0.00 177.57 179.45 1xur s ASN 124 N -6.46 0.64 0.07 0.57 2.20 -1.26 -5.07 114.94 105.63 1xur s ASN 124 Ca -0.13 -1.36 0.06 0.00 -0.94 0.00 0.00 52.86 50.50 1xur s ASN 124 Cb 0.08 0.63 -0.03 0.00 -2.00 0.00 0.00 41.25 39.93 1xur s ASN 124 CO 0.82 -1.23 -0.17 -0.31 -2.94 0.00 0.00 177.10 173.26 1xur s TYR 125 N -3.33 1.49 0.49 1.54 1.51 -1.26 -4.54 117.35 113.25 1xur s TYR 125 Ca 0.29 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.74 1xur s TYR 125 Cb 0.00 -0.85 -0.08 0.00 -0.11 0.00 0.00 41.96 40.92 1xur s TYR 125 CO 0.17 0.11 1.03 -0.08 -1.11 0.00 0.00 175.55 175.67 1xur s THR 126 N -1.07 3.83 0.17 -0.71 -1.32 -1.26 -4.96 115.64 110.32 1xur s THR 126 Ca 0.03 1.12 0.27 0.00 -1.21 0.00 0.00 61.69 61.89 1xur s THR 126 Cb -0.09 -3.46 0.28 0.00 -1.51 0.00 0.00 72.50 67.72 1xur s THR 126 CO 0.03 -0.27 1.90 -0.65 -2.21 0.00 0.00 174.62 173.42 1xur h PRO 127 N 1.49 0.00 0.00 7.08 0.11 -1.98 -3.30 132.00 135.40 1xur h PRO 127 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xur h PRO 127 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xur h PRO 127 CO 0.59 0.15 0.00 -0.44 -0.21 0.00 0.00 178.00 178.09 1xur h ASP 128 N 0.00 0.00 -4.16 -2.05 3.32 -1.93 -3.46 116.42 108.14 1xur h ASP 128 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1xur h ASP 128 Cb 0.63 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.03 1xur h ASP 128 CO 0.02 0.00 -0.68 -0.04 -1.72 0.00 0.00 179.24 176.82 1xur s MET 129 N -3.47 1.14 0.68 3.56 -1.94 -1.24 -4.87 119.30 113.16 1xur s MET 129 Ca 0.04 -1.53 -0.11 0.00 -1.71 0.00 0.00 55.69 52.37 1xur s MET 129 Cb 0.08 -0.48 -0.00 0.00 2.01 0.00 0.00 34.83 36.44 1xur s MET 129 CO 0.55 -0.05 1.06 0.95 -0.01 0.00 0.00 175.02 177.53 1xur s THR 130 N -3.48 4.10 0.23 2.05 -4.23 -1.26 -4.82 115.64 108.23 1xur s THR 130 Ca 0.22 0.68 -0.07 0.00 -1.18 0.00 0.00 61.69 61.34 1xur s THR 130 Cb 0.05 -3.55 0.19 0.00 1.34 0.00 0.00 72.50 70.53 1xur s THR 130 CO 0.03 -0.89 1.84 0.45 -0.54 0.00 0.00 174.62 175.52 1xur h HIS 131 N -0.60 0.91 -0.52 3.99 3.86 -2.00 -1.67 115.15 119.12 1xur h HIS 131 Ca -0.44 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.81 1xur h HIS 131 Cb 1.22 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1xur h HIS 131 CO 0.60 0.46 0.33 1.03 0.86 0.00 0.00 177.93 181.21 1xur h SER 132 N 0.91 0.54 -0.51 2.45 0.87 -1.99 -0.52 113.55 115.30 1xur h SER 132 Ca 0.35 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1xur h SER 132 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1xur h SER 132 CO -0.17 0.39 0.16 -0.33 -0.53 0.00 0.00 176.83 176.35 1xur h GLU 133 N 0.65 0.79 -0.21 2.24 5.08 -1.78 -1.20 114.58 120.15 1xur h GLU 133 Ca 0.20 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1xur h GLU 133 Cb -0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1xur h GLU 133 CO -0.07 0.73 0.09 0.28 -1.00 0.00 0.00 179.01 179.04 1xur h VAL 134 N 0.69 1.15 -0.59 3.13 2.07 -1.07 -0.73 116.25 120.90 1xur h VAL 134 Ca 0.16 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1xur h VAL 134 Cb 0.27 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1xur h VAL 134 CO -0.01 0.15 0.38 -0.33 0.02 0.00 0.00 177.57 177.79 1xur h GLU 135 N 0.19 0.75 -0.23 1.57 5.08 -0.97 -1.88 114.58 119.08 1xur h GLU 135 Ca 0.07 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1xur h GLU 135 Cb 0.16 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xur h GLU 135 CO -0.01 0.49 -0.30 0.87 -1.00 0.00 0.00 179.01 179.07 1xur h LYS 136 N 0.77 0.46 -0.23 2.33 1.57 -1.09 -1.70 116.57 118.68 1xur h LYS 136 Ca 0.22 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1xur h LYS 136 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1xur h LYS 136 CO -0.06 0.72 0.04 0.00 -0.57 0.00 0.00 179.45 179.58 1xur h ALA 137 N 1.28 0.31 -0.35 3.86 0.00 -0.69 -0.67 119.26 123.00 1xur h ALA 137 Ca 0.05 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1xur h ALA 137 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xur h ALA 137 CO 0.06 -0.02 -0.30 0.74 0.00 0.00 0.00 179.25 179.73 1xur h PHE 138 N 0.19 0.85 -0.59 0.00 0.04 -1.29 -0.93 116.94 115.21 1xur h PHE 138 Ca 0.07 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.60 1xur h PHE 138 Cb 0.31 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 1xur h PHE 138 CO 0.02 0.94 0.26 -0.22 -0.60 0.00 0.00 178.31 178.71 1xur h LYS 139 N 0.63 0.87 -0.72 1.51 3.64 -1.18 -1.46 116.57 119.87 1xur h LYS 139 Ca 0.07 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 1xur h LYS 139 Cb 0.81 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1xur h LYS 139 CO 0.07 0.73 0.18 -0.22 -2.27 0.00 0.00 179.45 177.94 1xur h LYS 140 N 0.82 1.14 -0.76 1.90 3.64 -0.96 -1.93 116.57 120.42 1xur h LYS 140 Ca 0.20 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1xur h LYS 140 Cb 0.17 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1xur h LYS 140 CO -0.02 1.00 0.32 0.00 -2.27 0.00 0.00 179.45 178.48 1xur h ALA 141 N 1.09 0.98 -0.18 5.00 0.00 -0.73 -2.51 119.26 122.91 1xur h ALA 141 Ca 0.23 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1xur h ALA 141 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xur h ALA 141 CO 0.00 0.59 -0.44 0.74 0.00 0.00 0.00 179.25 180.14 1xur h PHE 142 N 1.09 0.53 0.00 0.00 0.04 -1.09 -2.82 116.94 114.69 1xur h PHE 142 Ca 0.26 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1xur h PHE 142 Cb 0.19 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1xur h PHE 142 CO 0.02 0.81 -0.07 -0.22 -0.60 0.00 0.00 178.31 178.25 1xur h LYS 143 N 0.36 0.00 -0.70 1.51 3.64 -0.93 -1.92 116.57 118.53 1xur h LYS 143 Ca 0.03 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1xur h LYS 143 Cb 0.92 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 1xur h LYS 143 CO 0.08 0.07 0.40 0.28 -2.27 0.00 0.00 179.45 178.01 1xur h VAL 144 N 0.00 0.99 0.11 2.00 2.07 -1.20 -0.93 116.25 119.29 1xur h VAL 144 Ca -0.00 -0.26 -0.31 0.00 0.82 0.00 0.00 66.70 66.95 1xur h VAL 144 Cb 0.14 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1xur h VAL 144 CO 0.01 0.14 -1.62 -0.50 0.02 0.00 0.00 177.57 175.61 1xur h TRP 145 N 0.75 0.41 0.00 1.57 4.06 -1.51 -3.34 115.95 117.89 1xur h TRP 145 Ca 0.31 -0.30 -0.06 0.00 2.06 0.00 0.00 58.89 60.89 1xur h TRP 145 Cb 0.17 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 1xur h TRP 145 CO -0.07 1.41 -0.30 0.66 -3.56 0.00 0.00 178.44 176.58 1xur h SER 146 N 0.06 0.00 0.71 -3.49 4.64 -1.31 -2.78 113.55 111.38 1xur h SER 146 Ca -0.28 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1xur h SER 146 Cb 2.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1xur h SER 146 CO 0.14 0.30 -0.06 0.44 -0.87 0.00 0.00 176.83 176.78 1xur h ASP 147 N 0.00 0.00 0.00 4.97 3.45 -1.28 -3.20 116.42 120.36 1xur h ASP 147 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xur h ASP 147 Cb 0.75 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1xur h ASP 147 CO 0.04 0.06 -0.02 1.33 -1.57 0.00 0.00 179.24 179.08 1xur n VAL 148 N -3.24 1.39 -4.06 -1.35 0.24 -1.07 -4.78 118.33 105.46 1xur n VAL 148 Ca -0.01 -1.60 -0.13 0.00 -2.04 0.00 0.00 64.34 60.57 1xur n VAL 148 Cb 0.27 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.72 1xur n VAL 148 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1xur s THR 149 N -1.92 0.00 -2.00 3.34 -4.23 -1.11 -3.52 115.64 106.19 1xur s THR 149 Ca 0.17 -1.55 0.31 0.00 -1.18 0.00 0.00 61.69 59.44 1xur s THR 149 Cb 0.15 -2.58 0.76 0.00 1.34 0.00 0.00 72.50 72.17 1xur s THR 149 CO 0.02 0.00 2.08 -2.65 -0.54 0.00 0.00 174.62 173.53 1xur n PRO 150 N -0.52 1.04 -1.90 3.99 -0.02 -1.26 -4.05 135.00 132.29 1xur n PRO 150 Ca -0.00 -0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 60.87 1xur n PRO 150 Cb 0.62 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.60 1xur n PRO 150 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xur s LEU 151 N -2.10 4.28 -0.01 2.45 1.43 -1.26 -4.85 118.68 118.62 1xur s LEU 151 Ca 0.42 2.90 0.04 0.00 -1.03 0.00 0.00 54.13 56.46 1xur s LEU 151 Cb 0.21 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 1xur s LEU 151 CO 0.38 -0.87 -0.13 0.20 0.23 0.00 0.00 176.35 176.16 1xur s ASN 152 N -0.38 1.58 -0.06 2.29 0.02 0.48 -4.49 114.94 114.39 1xur s ASN 152 Ca 0.54 -0.24 0.05 0.00 -1.02 0.00 0.00 52.86 52.19 1xur s ASN 152 Cb -0.43 -0.18 -0.01 0.00 0.02 0.00 0.00 41.25 40.65 1xur s ASN 152 CO 0.58 0.16 -0.21 -0.36 0.02 0.00 0.00 177.10 177.29 1xur s PHE 153 N -0.30 2.13 -0.05 2.20 0.08 -1.26 -0.78 117.98 119.99 1xur s PHE 153 Ca 0.05 -0.66 0.03 0.00 0.12 0.00 0.00 56.93 56.48 1xur s PHE 153 Cb -0.05 -1.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.98 1xur s PHE 153 CO -0.00 -0.22 -0.14 0.95 -0.10 0.00 0.00 175.22 175.70 1xur s THR 154 N -0.02 1.26 0.03 0.64 -4.23 -0.43 -4.99 115.64 107.91 1xur s THR 154 Ca -0.05 -0.59 -0.25 0.00 -1.18 0.00 0.00 61.69 59.62 1xur s THR 154 Cb -0.13 -1.11 -0.05 0.00 1.34 0.00 0.00 72.50 72.54 1xur s THR 154 CO 0.04 0.37 0.77 -0.60 -0.54 0.00 0.00 174.62 174.66 1xur s ARG 155 N 0.33 4.49 -0.03 3.99 3.52 -1.26 -1.75 118.95 128.24 1xur s ARG 155 Ca -0.09 1.06 0.04 0.00 -0.13 0.00 0.00 55.73 56.60 1xur s ARG 155 Cb -0.13 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 1xur s ARG 155 CO 0.03 0.25 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.14 1xur s LEU 156 N 0.06 2.89 0.00 -0.88 1.43 0.28 -4.93 118.68 117.53 1xur s LEU 156 Ca 0.39 -0.19 0.25 0.00 -1.03 0.00 0.00 54.13 53.55 1xur s LEU 156 Cb -0.20 -1.63 0.40 0.00 0.03 0.00 0.00 46.19 44.78 1xur s LEU 156 CO 0.23 0.32 1.36 1.41 0.23 0.00 0.00 176.35 179.90 1xur n HIS 157 N 2.01 0.00 -3.73 0.29 8.25 -1.26 -4.37 115.22 116.41 1xur n HIS 157 Ca -0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.25 1xur n HIS 157 Cb 0.52 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.60 1xur n HIS 157 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1xur s ASP 158 N -2.20 -0.21 0.00 0.41 1.47 -1.26 -5.02 116.67 109.86 1xur s ASP 158 Ca 0.27 -0.37 0.00 0.00 1.18 0.00 0.00 52.55 53.63 1xur s ASP 158 Cb 0.20 0.50 0.00 0.00 -0.34 0.00 0.00 42.92 43.27 1xur s ASP 158 CO 0.41 -0.91 0.00 0.61 0.68 0.00 0.00 175.17 175.96 1xur n GLY 159 N -0.45 -2.17 3.69 2.12 0.00 -1.26 -4.83 105.19 102.29 1xur n GLY 159 Ca -0.06 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.08 1xur n GLY 159 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xur s ILE 160 N -0.27 5.32 0.31 -0.61 1.10 -1.26 -5.02 121.20 120.78 1xur s ILE 160 Ca 0.00 0.37 0.08 0.00 -0.51 0.00 0.00 60.65 60.59 1xur s ILE 160 Cb 0.00 -3.57 -0.04 0.00 0.15 0.00 0.00 42.46 39.00 1xur s ILE 160 CO 0.00 0.35 0.18 0.00 -2.11 0.00 0.00 174.94 173.35 1xur s ALA 161 N 0.90 3.57 0.29 1.50 0.00 -1.26 -5.02 121.76 121.75 1xur s ALA 161 Ca 0.12 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.40 1xur s ALA 161 Cb -0.13 -0.98 0.47 0.00 0.00 0.00 0.00 23.12 22.47 1xur s ALA 161 CO 0.04 0.10 1.93 -0.44 0.00 0.00 0.00 175.76 177.40 1xur h ASP 162 N 1.49 0.95 -3.65 0.00 3.32 -1.77 -3.35 116.42 113.42 1xur h ASP 162 Ca -0.45 -0.01 -0.65 0.00 0.02 0.00 0.00 57.03 55.94 1xur h ASP 162 Cb 1.25 -0.22 -0.40 0.00 0.22 0.00 0.00 39.33 40.19 1xur h ASP 162 CO 0.61 0.65 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.41 1xur s ILE 163 N -5.94 2.11 -0.14 0.35 1.01 -0.02 -4.36 121.20 114.21 1xur s ILE 163 Ca -0.12 -2.16 -0.23 0.00 0.00 0.00 0.00 60.65 58.15 1xur s ILE 163 Cb 0.19 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1xur s ILE 163 CO 0.80 -0.54 0.69 -0.04 0.00 0.00 0.00 174.94 175.85 1xur s MET 164 N 1.00 4.31 -0.15 2.79 -1.94 -1.26 -1.87 119.30 122.18 1xur s MET 164 Ca 0.09 0.79 -0.03 0.00 -1.71 0.00 0.00 55.69 54.82 1xur s MET 164 Cb -0.19 -3.53 -0.02 0.00 2.01 0.00 0.00 34.83 33.10 1xur s MET 164 CO -0.09 -0.14 -0.06 0.42 -0.01 0.00 0.00 175.02 175.14 1xur s ILE 165 N 1.54 3.72 0.10 2.53 1.01 0.33 -1.22 121.20 129.21 1xur s ILE 165 Ca 0.34 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 1xur s ILE 165 Cb -0.17 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1xur s ILE 165 CO 0.13 0.50 0.42 -0.94 0.00 0.00 0.00 174.94 175.06 1xur s SER 166 N 0.36 -0.28 -0.10 3.58 1.04 -0.89 -0.24 113.70 117.17 1xur s SER 166 Ca -0.05 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.19 1xur s SER 166 Cb -0.15 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1xur s SER 166 CO 0.03 -0.79 -0.04 -0.36 0.98 0.00 0.00 173.24 173.06 1xur s PHE 167 N -3.31 3.03 0.27 5.02 0.40 -1.26 -1.34 117.98 120.79 1xur s PHE 167 Ca -0.00 -0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.14 1xur s PHE 167 Cb 0.01 -1.81 0.01 0.00 0.51 0.00 0.00 43.02 41.74 1xur s PHE 167 CO -0.08 0.27 0.60 0.20 0.70 0.00 0.00 175.22 176.91 1xur s GLY 168 N -0.49 0.23 0.13 4.36 0.00 -0.51 -4.90 107.32 106.13 1xur s GLY 168 Ca 0.08 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.24 1xur s GLY 168 CO 0.02 -0.36 -0.10 -0.26 0.00 0.00 0.00 173.10 172.40 1xur s ILE 169 N -3.93 1.10 0.00 0.90 -4.36 -1.26 -0.92 121.20 112.72 1xur s ILE 169 Ca 0.17 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.61 1xur s ILE 169 Cb -0.03 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.96 1xur s ILE 169 CO 0.08 -0.70 0.00 0.29 0.24 0.00 0.00 174.94 174.85 1xur n LYS 170 N 0.01 0.00 -2.51 0.37 4.76 -1.26 -3.87 118.16 115.67 1xur n LYS 170 Ca -0.12 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.89 1xur n LYS 170 Cb 0.60 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.77 1xur n LYS 170 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1xur s GLU 171 N 0.00 4.07 -0.12 1.97 2.56 -1.26 -1.03 118.70 124.90 1xur s GLU 171 Ca 0.00 1.31 0.17 0.00 0.00 0.00 0.00 54.97 56.45 1xur s GLU 171 Cb 0.00 -3.78 0.26 0.00 2.00 0.00 0.00 34.13 32.61 1xur s GLU 171 CO 0.00 -0.91 1.13 -2.39 -0.56 0.00 0.00 175.26 172.54 1xur n HIS 172 N 7.02 0.00 0.00 5.30 1.44 -1.25 -5.00 115.22 122.73 1xur n HIS 172 Ca 0.13 -0.90 0.00 0.00 -2.01 0.00 0.00 57.72 54.94 1xur n HIS 172 Cb 0.46 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.43 1xur n HIS 172 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xur n GLY 173 N -1.29 0.94 0.00 -1.39 0.00 -1.26 -4.99 105.19 97.20 1xur n GLY 173 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1xur n GLY 173 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xur n ASP 174 N 0.00 0.39 -2.13 1.61 5.68 -1.26 -5.02 116.55 115.82 1xur n ASP 174 Ca 0.00 -1.18 -0.20 0.00 -0.50 0.00 0.00 54.79 52.90 1xur n ASP 174 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1xur n ASP 174 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1xur n PHE 175 N -0.09 -0.72 -3.23 2.11 3.01 -1.26 -4.90 117.46 112.39 1xur n PHE 175 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.20 1xur n PHE 175 Cb 0.42 -3.78 -0.06 0.00 -0.01 0.00 0.00 39.48 36.04 1xur n PHE 175 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1xur n TYR 176 N -3.60 2.70 -1.73 1.38 4.01 -1.26 -5.10 117.16 113.56 1xur n TYR 176 Ca -0.23 -3.98 -0.40 0.00 -0.16 0.00 0.00 57.90 53.13 1xur n TYR 176 Cb 0.68 -0.49 0.03 0.00 -0.31 0.00 0.00 39.34 39.25 1xur n TYR 176 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xur n PRO 177 N 0.59 1.92 -1.97 -0.72 -0.04 -1.26 -4.86 135.00 128.65 1xur n PRO 177 Ca 0.28 0.69 -0.29 0.00 -0.04 0.00 0.00 63.50 64.15 1xur n PRO 177 Cb 0.45 -2.52 0.12 0.00 -0.04 0.00 0.00 33.50 31.51 1xur n PRO 177 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xur s PHE 178 N -1.24 2.47 -0.21 0.54 0.08 -0.19 -4.91 117.98 114.52 1xur s PHE 178 Ca 0.65 0.54 0.11 0.00 0.12 0.00 0.00 56.93 58.35 1xur s PHE 178 Cb -0.45 -3.64 0.42 0.00 -0.57 0.00 0.00 43.02 38.77 1xur s PHE 178 CO 0.55 -2.01 1.22 -0.40 -0.10 0.00 0.00 175.22 174.47 1xur n ASP 179 N -3.40 1.83 -0.14 1.36 5.68 -1.26 -4.05 116.55 116.58 1xur n ASP 179 Ca 0.11 -3.82 0.00 0.00 -0.50 0.00 0.00 54.79 50.58 1xur n ASP 179 Cb 0.60 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1xur n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xur n GLY 180 N -1.03 -1.76 3.73 6.12 0.00 -1.26 -4.84 105.19 106.14 1xur n GLY 180 Ca 0.20 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1xur n GLY 180 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xur n PRO 181 N -0.28 2.33 -0.81 1.61 -0.02 -1.25 -4.74 135.00 131.83 1xur n PRO 181 Ca 0.00 0.82 0.11 0.00 -2.02 0.00 0.00 63.50 62.40 1xur n PRO 181 Cb 0.00 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 30.99 1xur n PRO 181 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xur n SER 182 N 0.71 -4.87 0.00 2.55 2.88 -1.26 -4.98 113.62 108.66 1xur n SER 182 Ca 0.04 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1xur n SER 182 Cb 0.37 -2.60 0.00 0.00 -0.75 0.00 0.00 64.21 61.23 1xur n SER 182 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xur n GLY 183 N -3.40 1.07 3.75 0.46 0.00 -1.26 -4.80 105.19 101.01 1xur n GLY 183 Ca -0.02 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1xur n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xur s LEU 184 N 0.00 4.36 -0.15 0.99 1.43 -1.26 -4.91 118.68 119.14 1xur s LEU 184 Ca 0.00 2.84 0.11 0.00 -1.03 0.00 0.00 54.13 56.04 1xur s LEU 184 Cb 0.00 -3.63 -0.17 0.00 0.03 0.00 0.00 46.19 42.42 1xur s LEU 184 CO 0.00 -0.81 0.01 0.18 0.23 0.00 0.00 176.35 175.96 1xur n LEU 185 N 2.07 0.55 0.00 1.79 4.77 -1.26 -4.77 117.00 120.14 1xur n LEU 185 Ca 0.07 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1xur n LEU 185 Cb 0.39 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1xur n LEU 185 CO 0.62 0.44 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 1xur n ALA 186 N -2.62 0.00 -3.31 -1.18 0.00 -1.26 -1.62 120.51 110.52 1xur n ALA 186 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.05 1xur n ALA 186 Cb 0.94 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.34 1xur n ALA 186 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1xur s HIS 187 N -2.00 -0.44 0.03 0.00 -3.43 -0.45 -5.00 115.29 104.01 1xur s HIS 187 Ca 0.00 0.45 0.02 0.00 -0.80 0.00 0.00 55.06 54.73 1xur s HIS 187 Cb 0.00 0.37 -0.02 0.00 -1.43 0.00 0.00 32.58 31.50 1xur s HIS 187 CO 0.00 -0.67 -0.06 0.00 -2.00 0.00 0.00 174.74 172.01 1xur s ALA 188 N -2.63 0.43 0.07 -1.38 0.00 -1.26 -0.96 121.76 116.02 1xur s ALA 188 Ca -0.04 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 1xur s ALA 188 Cb -0.00 0.05 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1xur s ALA 188 CO -0.03 -0.04 0.54 -0.06 0.00 0.00 0.00 175.76 176.17 1xur s PHE 189 N -1.21 3.78 1.00 0.00 0.40 -0.36 -4.81 117.98 116.78 1xur s PHE 189 Ca -0.10 1.22 -0.11 0.00 -0.60 0.00 0.00 56.93 57.33 1xur s PHE 189 Cb -0.09 -2.45 0.19 0.00 0.51 0.00 0.00 43.02 41.18 1xur s PHE 189 CO -0.00 0.59 1.09 -1.25 0.70 0.00 0.00 175.22 176.35 1xur s PRO 190 N -1.16 0.39 0.37 0.24 0.04 -1.26 0.39 135.00 134.00 1xur s PRO 190 Ca 0.29 1.10 -0.24 0.00 0.04 0.00 0.00 61.00 62.19 1xur s PRO 190 Cb -0.19 -1.69 -0.14 0.00 0.04 0.00 0.00 34.50 32.53 1xur s PRO 190 CO 0.18 -2.92 0.58 -2.30 0.04 0.00 0.00 177.00 172.58 1xur n PRO 191 N -4.39 0.58 0.00 0.56 -0.02 -1.21 -1.58 135.00 128.93 1xur n PRO 191 Ca 0.07 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1xur n PRO 191 Cb 0.54 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 1xur n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xur n GLY 192 N 1.76 0.21 3.92 -1.23 0.00 -1.26 -4.44 105.19 104.15 1xur n GLY 192 Ca 0.12 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 1xur n GLY 192 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xur s PRO 193 N -1.53 1.29 6.07 1.61 0.04 -1.26 -4.05 135.00 137.18 1xur s PRO 193 Ca 0.00 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1xur s PRO 193 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1xur s PRO 193 CO 0.00 -2.00 0.00 0.09 0.04 0.00 0.00 177.00 175.13 1xur n ASN 194 N -3.52 0.00 0.26 6.66 5.03 -1.26 -1.12 115.26 121.31 1xur n ASN 194 Ca 0.12 0.00 0.17 0.00 0.87 0.00 0.00 54.58 55.74 1xur n ASN 194 Cb 0.60 0.00 0.71 0.00 -1.02 0.00 0.00 39.78 40.07 1xur n ASN 194 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1xur h TYR 195 N 0.00 0.00 -1.75 3.10 0.05 -1.97 -3.45 116.97 112.96 1xur h TYR 195 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 1xur h TYR 195 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 1xur h TYR 195 CO 0.00 0.00 0.55 0.41 -1.05 0.00 0.00 178.16 178.07 1xur n GLY 196 N -0.12 0.60 1.81 3.88 0.00 -0.27 -0.95 105.19 110.14 1xur n GLY 196 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.75 1xur n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xur n GLY 197 N 2.82 3.02 3.74 -0.02 0.00 0.16 -4.39 105.19 110.52 1xur n GLY 197 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1xur n GLY 197 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xur n ASP 198 N 0.23 2.55 -4.07 1.61 8.00 -0.13 -4.56 116.55 120.18 1xur n ASP 198 Ca 0.00 0.94 -0.28 0.00 0.71 0.00 0.00 54.79 56.16 1xur n ASP 198 Cb 0.00 -1.58 -0.17 0.00 -0.02 0.00 0.00 41.12 39.36 1xur n ASP 198 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xur s ALA 199 N -1.31 1.68 -0.08 2.24 0.00 -0.35 -1.22 121.76 122.72 1xur s ALA 199 Ca 0.75 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.04 1xur s ALA 199 Cb -0.41 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.93 1xur s ALA 199 CO 0.47 0.01 -0.21 -1.01 0.00 0.00 0.00 175.76 175.02 1xur s HIS 200 N 0.83 2.57 -0.10 0.00 3.76 -0.14 -2.10 115.29 120.11 1xur s HIS 200 Ca -0.10 -0.70 0.02 0.00 -0.15 0.00 0.00 55.06 54.12 1xur s HIS 200 Cb -0.16 -1.67 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 1xur s HIS 200 CO 0.01 -0.21 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.48 1xur s PHE 201 N -0.03 2.73 -0.35 1.40 0.08 -0.45 -1.33 117.98 120.02 1xur s PHE 201 Ca -0.06 -0.57 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 1xur s PHE 201 Cb -0.15 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1xur s PHE 201 CO 0.05 -0.14 1.55 0.34 -0.10 0.00 0.00 175.22 176.91 1xur s ASP 202 N 0.06 6.23 -0.01 1.36 -1.08 -0.64 -1.43 116.67 121.17 1xur s ASP 202 Ca -0.06 1.10 0.01 0.00 -0.52 0.00 0.00 52.55 53.08 1xur s ASP 202 Cb -0.15 -2.53 0.06 0.00 -1.46 0.00 0.00 42.92 38.83 1xur s ASP 202 CO 0.05 -1.47 0.84 -0.67 0.52 0.00 0.00 175.17 174.44 1xur n ASP 203 N 9.12 0.78 -0.83 -0.34 4.64 -0.10 -2.23 116.55 127.59 1xur n ASP 203 Ca 0.19 -2.03 0.13 0.00 -1.38 0.00 0.00 54.79 51.69 1xur n ASP 203 Cb 0.47 -0.25 0.22 0.00 -1.04 0.00 0.00 41.12 40.52 1xur n ASP 203 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1xur n ASP 204 N -0.16 2.59 -4.96 1.67 8.00 -1.26 -4.87 116.55 117.56 1xur n ASP 204 Ca 0.02 -1.86 -0.24 0.00 0.71 0.00 0.00 54.79 53.42 1xur n ASP 204 Cb 0.17 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1xur n ASP 204 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xur s GLU 205 N -1.98 3.43 -0.29 -1.24 0.41 -0.95 -3.86 118.70 114.22 1xur s GLU 205 Ca 0.31 -0.68 -0.16 0.00 -0.41 0.00 0.00 54.97 54.04 1xur s GLU 205 Cb 0.20 -2.93 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 1xur s GLU 205 CO 0.31 0.48 0.40 0.99 -0.49 0.00 0.00 175.26 176.94 1xur s THR 206 N -1.86 5.15 -0.01 3.63 2.01 -1.26 -5.03 115.64 118.26 1xur s THR 206 Ca 0.34 0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 1xur s THR 206 Cb -0.10 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1xur s THR 206 CO 0.29 0.06 0.12 0.26 -0.69 0.00 0.00 174.62 174.65 1xur s TRP 207 N 2.12 3.40 0.26 4.92 0.52 -1.26 -0.44 118.94 128.46 1xur s TRP 207 Ca 0.15 0.28 -0.15 0.00 0.02 0.00 0.00 56.10 56.40 1xur s TRP 207 Cb -0.16 -1.78 0.00 0.00 -1.15 0.00 0.00 33.47 30.38 1xur s TRP 207 CO 0.11 0.60 0.56 -0.08 0.02 0.00 0.00 176.95 178.15 1xur s THR 208 N -1.23 0.00 0.00 2.01 -1.32 -0.29 -4.52 115.64 110.29 1xur s THR 208 Ca 0.24 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.44 1xur s THR 208 Cb -0.12 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 1xur s THR 208 CO 0.15 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.36 1xur n SER 209 N -0.47 2.75 -0.22 8.08 7.64 -1.26 -1.68 113.62 128.46 1xur n SER 209 Ca -0.02 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.86 1xur n SER 209 Cb 0.61 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.82 1xur n SER 209 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xur n SER 210 N -2.18 0.28 0.00 6.43 3.41 -1.26 -5.03 113.62 115.27 1xur n SER 210 Ca 0.00 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 1xur n SER 210 Cb 0.34 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1xur n SER 210 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xur n SER 211 N -0.13 0.00 -4.84 4.04 3.41 -1.26 -5.14 113.62 109.70 1xur n SER 211 Ca 0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.27 1xur n SER 211 Cb 0.58 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 1xur n SER 211 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xur s LYS 212 N 3.20 4.04 0.00 4.33 1.02 -1.26 -4.92 119.74 126.14 1xur s LYS 212 Ca 0.00 0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.57 1xur s LYS 212 Cb 0.00 -2.87 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 1xur s LYS 212 CO 0.00 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 1xur n GLY 213 N 0.65 0.72 3.74 -3.33 0.00 -1.26 -4.40 105.19 101.31 1xur n GLY 213 Ca -0.04 -2.31 -0.41 0.00 0.00 0.00 0.00 46.02 43.26 1xur n GLY 213 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xur s TYR 214 N -0.76 3.47 -0.29 1.61 2.02 0.42 -4.65 117.35 119.16 1xur s TYR 214 Ca 0.00 1.50 -0.29 0.00 -0.37 0.00 0.00 57.07 57.91 1xur s TYR 214 Cb 0.00 -3.39 -0.01 0.00 -0.40 0.00 0.00 41.96 38.16 1xur s TYR 214 CO 0.00 -1.02 1.51 1.21 -1.57 0.00 0.00 175.55 175.68 1xur s ASN 215 N -0.09 6.40 0.13 2.29 3.84 -1.26 -1.14 114.94 125.12 1xur s ASN 215 Ca 0.51 1.32 -0.19 0.00 0.21 0.00 0.00 52.86 54.72 1xur s ASN 215 Cb -0.32 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 37.83 1xur s ASN 215 CO 0.38 -1.29 1.75 0.25 -2.79 0.00 0.00 177.10 175.39 1xur h LEU 216 N 11.77 0.07 -0.51 3.21 5.85 -1.69 -2.28 115.31 131.73 1xur h LEU 216 Ca -0.30 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.54 1xur h LEU 216 Cb 1.13 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1xur h LEU 216 CO 1.03 0.08 0.02 0.15 -0.34 0.00 0.00 178.44 179.37 1xur h PHE 217 N 0.19 0.00 -0.15 1.25 3.57 -1.81 0.11 116.94 120.09 1xur h PHE 217 Ca 0.11 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1xur h PHE 217 Cb 0.08 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1xur h PHE 217 CO -0.13 -0.10 0.08 1.25 -2.23 0.00 0.00 178.31 177.18 1xur h LEU 218 N 0.14 0.19 -0.69 0.59 5.85 -1.85 0.23 115.31 119.77 1xur h LEU 218 Ca 0.26 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1xur h LEU 218 Cb 0.39 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1xur h LEU 218 CO -0.42 0.22 0.15 0.58 -0.34 0.00 0.00 178.44 178.63 1xur h VAL 219 N 0.15 1.26 -0.54 1.05 2.07 -1.08 -2.41 116.25 116.75 1xur h VAL 219 Ca 0.05 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 1xur h VAL 219 Cb 0.07 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1xur h VAL 219 CO -0.01 0.38 0.18 0.00 0.02 0.00 0.00 177.57 178.14 1xur h ALA 220 N 1.07 0.70 -0.81 1.67 0.00 -0.57 -0.04 119.26 121.29 1xur h ALA 220 Ca 0.22 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xur h ALA 220 Cb 0.39 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1xur h ALA 220 CO 0.01 0.35 0.53 0.00 0.00 0.00 0.00 179.25 180.14 1xur h ALA 221 N 1.04 1.03 0.10 0.00 0.00 -0.77 0.20 119.26 120.86 1xur h ALA 221 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xur h ALA 221 Cb 0.26 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xur h ALA 221 CO -0.01 0.41 -0.05 1.25 0.00 0.00 0.00 179.25 180.85 1xur h HIS 222 N 1.07 -0.12 -0.81 0.00 6.17 -1.11 -2.42 115.15 117.92 1xur h HIS 222 Ca 0.30 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.35 1xur h HIS 222 Cb -0.09 0.04 -0.04 0.00 2.52 0.00 0.00 27.41 29.84 1xur h HIS 222 CO -0.02 0.08 0.38 0.93 0.71 0.00 0.00 177.93 180.01 1xur h GLU 223 N -0.31 1.17 0.00 5.26 4.39 -0.66 -1.49 114.58 122.94 1xur h GLU 223 Ca -0.01 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1xur h GLU 223 Cb 0.26 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1xur h GLU 223 CO 0.02 0.91 -0.08 0.74 -1.16 0.00 0.00 179.01 179.44 1xur h PHE 224 N 1.15 0.00 -0.76 4.33 0.05 -0.55 0.23 116.94 121.40 1xur h PHE 224 Ca 0.28 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 62.03 1xur h PHE 224 Cb 0.13 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.04 1xur h PHE 224 CO 0.01 0.08 0.32 0.78 -0.18 0.00 0.00 178.31 179.32 1xur h GLY 225 N 0.57 1.21 1.15 -1.45 0.00 -0.75 -1.43 103.07 102.37 1xur h GLY 225 Ca -0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 1xur h GLY 225 CO 0.01 0.61 -0.22 0.45 0.00 0.00 0.00 176.54 177.39 1xur h HIS 226 N 1.09 1.10 -0.05 5.60 3.86 -0.91 -0.94 115.15 124.90 1xur h HIS 226 Ca 0.26 -0.27 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xur h HIS 226 Cb 0.19 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1xur h HIS 226 CO 0.02 1.08 0.04 0.77 0.86 0.00 0.00 177.93 180.70 1xur h SER 227 N 0.83 0.00 0.26 2.45 0.02 -0.68 -1.98 113.55 114.45 1xur h SER 227 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1xur h SER 227 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1xur h SER 227 CO 0.07 0.00 -0.55 0.18 -1.14 0.00 0.00 176.83 175.39 1xur n LEU 228 N -4.15 0.92 0.00 5.07 4.77 -0.59 -3.35 117.00 119.66 1xur n LEU 228 Ca -0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1xur n LEU 228 Cb 0.14 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1xur n LEU 228 CO 0.31 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1xur n GLY 229 N 1.45 1.50 3.83 -0.72 0.00 -0.74 -4.57 105.19 105.94 1xur n GLY 229 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1xur n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xur s LEU 230 N 0.00 4.25 0.00 0.99 1.43 -0.39 -4.99 118.68 119.97 1xur s LEU 230 Ca 0.00 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1xur s LEU 230 Cb 0.00 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.23 1xur s LEU 230 CO 0.00 0.36 0.41 -0.67 0.23 0.00 0.00 176.35 176.68 1xur n ASP 231 N 2.29 0.83 -4.78 2.29 -0.08 -1.26 -3.87 116.55 111.96 1xur n ASP 231 Ca -0.19 -1.63 -0.34 0.00 -1.51 0.00 0.00 54.79 51.11 1xur n ASP 231 Cb 0.54 -0.24 -0.01 0.00 2.34 0.00 0.00 41.12 43.76 1xur n ASP 231 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1xur s HIS 232 N -0.92 2.80 0.22 -0.67 3.76 -1.26 -4.94 115.29 114.28 1xur s HIS 232 Ca 0.29 1.55 0.06 0.00 -0.15 0.00 0.00 55.06 56.81 1xur s HIS 232 Cb -0.02 -3.18 -0.03 0.00 1.11 0.00 0.00 32.58 30.45 1xur s HIS 232 CO 0.19 -1.29 0.24 0.45 -0.85 0.00 0.00 174.74 173.47 1xur s SER 233 N -1.98 5.82 0.02 1.40 0.15 -0.41 -4.99 113.70 113.71 1xur s SER 233 Ca 0.70 -0.10 0.23 0.00 0.70 0.00 0.00 55.95 57.48 1xur s SER 233 Cb -0.20 -1.58 0.21 0.00 -1.71 0.00 0.00 66.02 62.73 1xur s SER 233 CO 0.26 -0.01 1.19 0.29 1.20 0.00 0.00 173.24 176.17 1xur n LYS 234 N -1.00 0.08 -2.46 5.44 4.01 -1.26 -4.34 118.16 118.63 1xur n LYS 234 Ca -0.08 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.29 1xur n LYS 234 Cb 0.57 -1.53 -0.02 0.00 -0.51 0.00 0.00 35.03 33.53 1xur n LYS 234 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1xur s ASP 235 N -3.27 6.56 0.60 4.39 3.68 -1.26 -4.91 116.67 122.46 1xur s ASP 235 Ca 0.08 0.86 0.28 0.00 2.13 0.00 0.00 52.55 55.90 1xur s ASP 235 Cb 0.16 -2.54 1.33 0.00 -1.45 0.00 0.00 42.92 40.42 1xur s ASP 235 CO 0.77 -1.24 1.73 -0.65 0.13 0.00 0.00 175.17 175.91 1xur h PRO 236 N 9.69 0.00 -0.36 4.34 0.11 -2.01 -1.23 132.00 142.54 1xur h PRO 236 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1xur h PRO 236 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xur h PRO 236 CO 1.08 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.28 1xur n GLY 237 N -1.55 1.70 3.86 -0.55 0.00 -1.26 -4.94 105.19 102.45 1xur n GLY 237 Ca 0.12 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1xur n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xur s ALA 238 N -1.30 3.22 0.22 4.61 0.00 -0.47 -4.82 121.76 123.24 1xur s ALA 238 Ca 0.34 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.16 1xur s ALA 238 Cb 0.19 -2.88 0.18 0.00 0.00 0.00 0.00 23.12 20.61 1xur s ALA 238 CO 0.27 -0.17 1.82 1.25 0.00 0.00 0.00 175.76 178.93 1xur h LEU 239 N 0.95 1.11 -0.25 0.00 5.85 -1.91 -2.54 115.31 118.52 1xur h LEU 239 Ca -0.47 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1xur h LEU 239 Cb 1.19 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1xur h LEU 239 CO 0.63 0.93 0.00 0.23 -0.34 0.00 0.00 178.44 179.89 1xur n MET 240 N -4.31 1.12 -2.16 1.25 2.81 -1.26 -4.79 117.12 109.77 1xur n MET 240 Ca 0.08 -0.17 -0.38 0.00 -1.81 0.00 0.00 57.70 55.43 1xur n MET 240 Cb 0.14 -1.08 -0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1xur n MET 240 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1xur s PHE 241 N -1.87 2.84 0.45 2.03 5.36 -0.96 -1.29 117.98 124.54 1xur s PHE 241 Ca 0.03 1.49 0.29 0.00 -0.96 0.00 0.00 56.93 57.78 1xur s PHE 241 Cb 0.02 -3.50 1.55 0.00 -0.34 0.00 0.00 43.02 40.75 1xur s PHE 241 CO 0.02 -1.76 2.11 -1.00 -1.46 0.00 0.00 175.22 173.14 1xur h PRO 242 N 2.27 0.00 -5.08 10.12 0.13 -1.89 -3.43 132.00 134.11 1xur h PRO 242 Ca -0.49 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.01 1xur h PRO 242 Cb 1.25 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 1xur h PRO 242 CO 0.61 0.09 -0.55 0.42 -0.23 0.00 0.00 178.00 178.34 1xur s ILE 243 N -4.26 4.95 0.05 -3.56 1.01 -1.26 -5.05 121.20 113.08 1xur s ILE 243 Ca -0.03 0.04 -0.32 0.00 0.00 0.00 0.00 60.65 60.34 1xur s ILE 243 Cb 0.13 -3.30 -0.10 0.00 0.01 0.00 0.00 42.46 39.20 1xur s ILE 243 CO 0.57 0.36 1.88 0.00 0.00 0.00 0.00 174.94 177.75 1xur n TYR 244 N 4.35 2.51 -3.35 3.97 9.36 -1.26 -4.94 117.16 127.78 1xur n TYR 244 Ca -0.16 -0.18 -0.26 0.00 3.32 0.00 0.00 57.90 60.63 1xur n TYR 244 Cb 0.52 -2.74 -0.09 0.00 -0.63 0.00 0.00 39.34 36.40 1xur n TYR 244 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1xur s THR 245 N 3.54 0.23 0.10 2.97 2.01 -1.26 -5.12 115.64 118.11 1xur s THR 245 Ca 0.87 -2.50 -0.31 0.00 0.31 0.00 0.00 61.69 60.06 1xur s THR 245 Cb -0.52 -1.16 -0.09 0.00 0.01 0.00 0.00 72.50 70.74 1xur s THR 245 CO 0.42 -1.15 1.60 -0.47 -0.69 0.00 0.00 174.62 174.33 1xur s TYR 246 N 0.16 2.70 -0.72 4.92 6.14 -1.26 -4.92 117.35 124.37 1xur s TYR 246 Ca 0.32 0.48 0.24 0.00 0.64 0.00 0.00 57.07 58.75 1xur s TYR 246 Cb 0.03 -3.92 0.30 0.00 0.42 0.00 0.00 41.96 38.79 1xur s TYR 246 CO -0.18 -3.56 1.26 0.25 0.64 0.00 0.00 175.55 173.96 1xur n THR 247 N 4.44 0.22 -0.01 4.34 -2.24 -1.26 -4.97 114.28 114.80 1xur n THR 247 Ca 0.15 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1xur n THR 247 Cb 0.40 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1xur n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xur n GLY 248 N 1.38 2.17 3.77 3.38 0.00 -1.26 -5.02 105.19 109.61 1xur n GLY 248 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1xur n GLY 248 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xur s LYS 249 N -0.27 3.88 0.41 1.61 -0.14 -1.26 -4.93 119.74 119.03 1xur s LYS 249 Ca 0.00 1.97 0.25 0.00 -1.36 0.00 0.00 55.97 56.83 1xur s LYS 249 Cb 0.00 -2.61 0.60 0.00 -1.68 0.00 0.00 37.83 34.14 1xur s LYS 249 CO 0.00 -0.51 1.70 0.77 -0.76 0.00 0.00 175.35 176.55 1xur h SER 250 N 2.42 0.00 -3.41 2.83 0.02 -2.05 -3.44 113.55 109.92 1xur h SER 250 Ca -0.49 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.80 1xur h SER 250 Cb 1.25 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.56 1xur h SER 250 CO 0.62 0.00 -0.71 -1.00 -1.14 0.00 0.00 176.83 174.60 1xur s HIS 251 N -3.26 2.92 -0.17 3.45 3.76 -1.26 -5.10 115.29 115.62 1xur s HIS 251 Ca 0.07 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.51 1xur s HIS 251 Cb 0.07 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1xur s HIS 251 CO 0.63 -0.01 0.21 0.12 -0.85 0.00 0.00 174.74 174.83 1xur s PHE 252 N 0.08 3.45 -0.14 1.40 2.19 -1.26 -5.07 117.98 118.64 1xur s PHE 252 Ca -0.03 0.48 -0.00 0.00 0.33 0.00 0.00 56.93 57.71 1xur s PHE 252 Cb -0.14 -2.23 0.03 0.00 -1.31 0.00 0.00 43.02 39.37 1xur s PHE 252 CO 0.03 0.31 -0.10 -1.64 1.83 0.00 0.00 175.22 175.65 1xur s MET 253 N 0.28 1.89 -0.01 10.12 -1.94 -1.26 -5.10 119.30 123.27 1xur s MET 253 Ca 0.13 -0.46 -0.30 0.00 -1.71 0.00 0.00 55.69 53.35 1xur s MET 253 Cb -0.12 -1.93 -0.07 0.00 2.01 0.00 0.00 34.83 34.73 1xur s MET 253 CO 0.01 -0.29 1.69 -1.17 -0.01 0.00 0.00 175.02 175.26 1xur s LEU 254 N 1.58 4.35 0.49 -0.03 2.96 -1.26 -4.94 118.68 121.83 1xur s LEU 254 Ca 0.04 2.34 -0.24 0.00 -0.22 0.00 0.00 54.13 56.06 1xur s LEU 254 Cb -0.13 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.95 1xur s LEU 254 CO -0.09 -0.93 1.37 -2.65 -1.32 0.00 0.00 176.35 172.72 1xur n PRO 255 N 6.84 1.94 -0.15 0.98 -0.02 -1.26 -4.80 135.00 138.53 1xur n PRO 255 Ca 0.17 0.70 0.19 0.00 -2.02 0.00 0.00 63.50 62.54 1xur n PRO 255 Cb 0.42 -2.56 0.57 0.00 -0.02 0.00 0.00 33.50 31.91 1xur n PRO 255 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1xur h ASP 256 N 1.85 0.26 -0.61 2.55 1.82 -1.96 -1.36 116.42 118.98 1xur h ASP 256 Ca -0.50 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1xur h ASP 256 Cb 1.29 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.24 1xur h ASP 256 CO 0.59 0.12 0.39 -0.78 -1.61 0.00 0.00 179.24 177.96 1xur h ASP 257 N 0.27 0.70 -0.20 2.28 3.58 -1.98 0.12 116.42 121.20 1xur h ASP 257 Ca 0.37 -0.03 -0.13 0.00 0.42 0.00 0.00 57.03 57.66 1xur h ASP 257 Cb 1.06 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 1xur h ASP 257 CO -0.09 0.52 -0.34 0.44 -2.88 0.00 0.00 179.24 176.89 1xur h ASP 258 N 0.82 0.74 -0.07 2.28 3.32 -1.63 -1.03 116.42 120.86 1xur h ASP 258 Ca 0.22 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xur h ASP 258 Cb -0.08 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 1xur h ASP 258 CO -0.05 1.01 0.03 0.58 -1.72 0.00 0.00 179.24 179.10 1xur h VAL 259 N 0.60 1.10 -0.92 -1.35 2.07 -0.92 -0.58 116.25 116.25 1xur h VAL 259 Ca 0.06 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1xur h VAL 259 Cb 0.86 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1xur h VAL 259 CO 0.07 0.09 0.54 1.56 0.02 0.00 0.00 177.57 179.85 1xur h GLN 260 N -0.01 1.25 0.21 1.57 4.20 -0.89 -1.41 115.11 120.03 1xur h GLN 260 Ca 0.02 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1xur h GLN 260 Cb 0.11 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1xur h GLN 260 CO -0.00 0.89 -0.10 0.78 -0.67 0.00 0.00 178.83 179.73 1xur h GLY 261 N 1.27 -0.30 1.44 3.46 0.00 -0.83 -1.60 103.07 106.51 1xur h GLY 261 Ca 0.33 0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.66 1xur h GLY 261 CO -0.06 -0.11 -0.23 1.19 0.00 0.00 0.00 176.54 177.33 1xur h ILE 262 N -0.44 1.27 0.00 2.60 6.09 -1.07 -2.73 117.51 123.23 1xur h ILE 262 Ca -0.03 -1.30 -0.03 0.00 -1.37 0.00 0.00 64.86 62.13 1xur h ILE 262 Cb 0.34 1.26 -0.00 0.00 0.47 0.00 0.00 36.82 38.89 1xur h ILE 262 CO 0.05 0.43 -0.13 1.56 -3.07 0.00 0.00 178.15 176.98 1xur h GLN 263 N 0.57 0.00 0.00 2.19 4.20 -1.23 -1.54 115.11 119.30 1xur h GLN 263 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1xur h GLN 263 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1xur h GLN 263 CO 0.05 0.13 0.00 0.66 -0.67 0.00 0.00 178.83 179.01 1xur h SER 264 N 0.00 0.00 0.00 1.46 4.64 -0.96 0.28 113.55 118.97 1xur h SER 264 Ca -0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1xur h SER 264 Cb 0.65 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.67 1xur h SER 264 CO 0.02 0.00 -2.41 0.18 -0.87 0.00 0.00 176.83 173.75 1xur n LEU 265 N -2.62 2.37 -0.00 5.97 4.77 -0.78 -4.77 117.00 121.93 1xur n LEU 265 Ca 0.01 0.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.14 1xur n LEU 265 Cb 0.24 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1xur n LEU 265 CO 0.22 0.71 -0.17 -1.22 -1.33 0.00 0.00 177.39 175.60 1xur n TYR 266 N -3.70 0.00 0.00 -1.77 4.01 -0.65 -5.04 117.16 110.01 1xur n TYR 266 Ca -0.47 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.27 1xur n TYR 266 Cb 0.90 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 1xur n TYR 266 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xur n GLY 267 N 1.40 -1.30 3.83 2.72 0.00 0.98 -4.52 105.19 108.30 1xur n GLY 267 Ca 0.01 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1xur n GLY 267 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xur s PRO 268 N -1.59 2.57 0.00 1.61 0.04 -1.26 -4.24 135.00 132.12 1xur s PRO 268 Ca 0.00 0.67 0.22 0.00 0.04 0.00 0.00 61.00 61.93 1xur s PRO 268 Cb 0.00 -1.97 1.30 0.00 0.04 0.00 0.00 34.50 33.87 1xur s PRO 268 CO 0.00 -1.29 1.68 0.41 0.04 0.00 0.00 177.00 177.84