#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk8 s ARG 114 N 0.00 4.70 -0.22 0.00 1.81 -0.74 -4.84 118.95 119.66 1pk8 s ARG 114 Ca 0.00 1.39 -0.13 0.00 -1.72 0.00 0.00 55.73 55.27 1pk8 s ARG 114 Cb 0.00 -3.34 -0.04 0.00 -0.45 0.00 0.00 34.95 31.11 1pk8 s ARG 114 CO 0.00 0.32 0.29 0.08 -0.68 0.00 0.00 175.30 175.31 1pk8 s VAL 115 N -0.36 5.27 -0.22 3.52 1.01 -1.26 -0.46 120.40 127.89 1pk8 s VAL 115 Ca 0.44 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.86 1pk8 s VAL 115 Cb -0.24 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1pk8 s VAL 115 CO 0.29 0.29 -0.08 -0.22 0.00 0.00 0.00 175.10 175.38 1pk8 s LEU 116 N 1.23 2.84 -0.18 3.92 2.96 0.81 0.66 118.68 130.91 1pk8 s LEU 116 Ca 0.14 -0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 53.27 1pk8 s LEU 116 Cb -0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1pk8 s LEU 116 CO 0.06 -0.05 0.40 -0.22 -1.32 0.00 0.00 176.35 175.22 1pk8 s LEU 117 N 1.38 4.18 -0.20 -0.68 2.96 -0.09 -0.88 118.68 125.35 1pk8 s LEU 117 Ca 0.04 0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1pk8 s LEU 117 Cb -0.15 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 1pk8 s LEU 117 CO -0.06 -0.04 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.16 1pk8 s VAL 118 N 1.11 3.14 -0.47 1.68 1.01 0.11 -1.23 120.40 125.75 1pk8 s VAL 118 Ca 0.20 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1pk8 s VAL 118 Cb -0.15 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 33.89 1pk8 s VAL 118 CO 0.08 0.46 0.43 -0.63 0.00 0.00 0.00 175.10 175.43 1pk8 s ILE 119 N 1.26 5.16 0.05 2.22 1.01 -0.59 -1.54 121.20 128.76 1pk8 s ILE 119 Ca 0.03 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 1pk8 s ILE 119 Cb -0.14 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.30 1pk8 s ILE 119 CO -0.03 -0.57 0.91 -0.62 0.00 0.00 0.00 174.94 174.62 1pk8 s ASP 120 N 2.42 -0.31 0.81 3.58 2.15 -0.80 -1.32 116.67 123.20 1pk8 s ASP 120 Ca 0.07 -0.12 -0.10 0.00 0.43 0.00 0.00 52.55 52.82 1pk8 s ASP 120 Cb -0.22 0.42 0.08 0.00 -0.30 0.00 0.00 42.92 42.90 1pk8 s ASP 120 CO 0.09 -0.71 1.10 -1.83 -0.17 0.00 0.00 175.17 173.65 1pk8 s GLU 121 N -3.18 1.90 0.00 4.34 -1.05 -1.26 -3.55 118.70 115.90 1pk8 s GLU 121 Ca 0.07 1.22 0.17 0.00 -0.15 0.00 0.00 54.97 56.28 1pk8 s GLU 121 Cb -0.01 -1.85 0.82 0.00 -0.44 0.00 0.00 34.13 32.65 1pk8 s GLU 121 CO -0.06 -1.91 1.51 -0.35 0.95 0.00 0.00 175.26 175.40 1pk8 n PRO 122 N -3.71 0.19 0.31 -4.83 -0.04 -1.26 -3.63 135.00 122.02 1pk8 n PRO 122 Ca 0.09 0.15 0.20 0.00 -0.04 0.00 0.00 63.50 63.90 1pk8 n PRO 122 Cb 0.53 -1.50 1.00 0.00 -0.04 0.00 0.00 33.50 33.49 1pk8 n PRO 122 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pk8 h HIS 123 N 0.00 0.00 -3.40 0.54 3.86 -2.06 -3.39 115.15 110.70 1pk8 h HIS 123 Ca 0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1pk8 h HIS 123 Cb 0.19 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.39 1pk8 h HIS 123 CO 0.00 0.00 -0.71 0.99 0.86 0.00 0.00 177.93 179.07 1pk8 s THR 124 N -3.94 3.49 -1.22 2.45 2.01 -1.24 -5.03 115.64 112.16 1pk8 s THR 124 Ca -0.03 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 1pk8 s THR 124 Cb 0.11 -2.58 0.16 0.00 0.01 0.00 0.00 72.50 70.21 1pk8 s THR 124 CO 0.44 0.43 1.47 -0.67 -0.69 0.00 0.00 174.62 175.61 1pk8 n ASP 125 N 4.55 5.20 0.10 3.53 2.03 -1.26 -4.84 116.55 125.85 1pk8 n ASP 125 Ca -0.18 -2.97 0.07 0.00 0.52 0.00 0.00 54.79 52.23 1pk8 n ASP 125 Cb 0.51 -1.59 0.53 0.00 -0.72 0.00 0.00 41.12 39.85 1pk8 n ASP 125 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 1pk8 h TRP 126 N 7.15 0.28 -0.98 -0.67 4.06 -1.95 -0.99 115.95 122.85 1pk8 h TRP 126 Ca 0.33 0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.39 1pk8 h TRP 126 Cb 0.87 -0.10 -0.08 0.00 -1.00 0.00 0.00 29.16 28.86 1pk8 h TRP 126 CO 1.13 0.17 0.62 0.00 -3.56 0.00 0.00 178.44 176.81 1pk8 h ALA 127 N 1.84 1.53 -0.19 1.49 0.00 -1.89 -1.13 119.26 120.91 1pk8 h ALA 127 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pk8 h ALA 127 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pk8 h ALA 127 CO -0.02 0.25 0.05 -0.22 0.00 0.00 0.00 179.25 179.31 1pk8 h LYS 128 N 1.00 0.31 0.00 0.00 3.64 -1.59 -0.83 116.57 119.10 1pk8 h LYS 128 Ca 0.46 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 1pk8 h LYS 128 Cb 0.41 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1pk8 h LYS 128 CO -0.22 0.44 -0.10 1.88 -2.27 0.00 0.00 179.45 179.17 1pk8 h TYR 129 N 0.13 0.00 0.00 1.91 0.05 -1.27 -2.45 116.97 115.34 1pk8 h TYR 129 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1pk8 h TYR 129 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1pk8 h TYR 129 CO 0.01 0.10 -0.89 1.19 -1.05 0.00 0.00 178.16 177.52 1pk8 n PHE 130 N -3.51 0.02 -1.65 4.88 3.72 -0.49 -4.91 117.46 115.52 1pk8 n PHE 130 Ca -0.02 0.01 -0.48 0.00 -0.05 0.00 0.00 57.45 56.91 1pk8 n PHE 130 Cb 0.24 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 1pk8 n PHE 130 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1pk8 n LYS 131 N -1.56 1.93 0.00 -1.08 4.81 -0.34 -1.27 118.16 120.65 1pk8 n LYS 131 Ca 0.04 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1pk8 n LYS 131 Cb 0.35 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1pk8 n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pk8 n GLY 132 N 3.32 2.93 3.73 3.14 0.00 -1.26 -5.02 105.19 112.03 1pk8 n GLY 132 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1pk8 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk8 s LYS 133 N -0.17 4.26 0.03 1.61 -0.14 -0.40 -5.01 119.74 119.92 1pk8 s LYS 133 Ca 0.00 2.28 0.02 0.00 -1.36 0.00 0.00 55.97 56.91 1pk8 s LYS 133 Cb 0.00 -3.15 -0.02 0.00 -1.68 0.00 0.00 37.83 32.98 1pk8 s LYS 133 CO 0.00 -0.49 -0.08 0.15 -0.76 0.00 0.00 175.35 174.17 1pk8 s LYS 134 N 0.44 0.55 -0.04 1.68 1.02 -1.26 -3.77 119.74 118.37 1pk8 s LYS 134 Ca 0.64 -0.64 -0.21 0.00 0.02 0.00 0.00 55.97 55.78 1pk8 s LYS 134 Cb -0.42 -0.39 -0.05 0.00 -0.52 0.00 0.00 37.83 36.46 1pk8 s LYS 134 CO 0.36 0.08 0.60 0.42 -0.92 0.00 0.00 175.35 175.90 1pk8 s ILE 135 N -1.06 4.98 0.00 2.17 1.01 0.14 -3.84 121.20 124.61 1pk8 s ILE 135 Ca -0.06 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.84 1pk8 s ILE 135 Cb -0.08 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1pk8 s ILE 135 CO 0.00 0.37 0.00 1.41 0.00 0.00 0.00 174.94 176.72 1pk8 n HIS 136 N 3.10 0.00 0.00 3.97 8.25 -1.26 -1.69 115.22 127.59 1pk8 n HIS 136 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1pk8 n HIS 136 Cb 0.51 -1.53 0.00 0.00 1.12 0.00 0.00 29.99 30.10 1pk8 n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pk8 n GLY 137 N -0.20 2.27 0.00 -1.41 0.00 -1.25 -4.82 105.19 99.77 1pk8 n GLY 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pk8 n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pk8 n GLU 138 N -2.00 2.30 -2.54 1.61 0.00 -1.04 -4.96 120.64 114.01 1pk8 n GLU 138 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1pk8 n GLU 138 Cb 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 31.44 30.73 1pk8 n GLU 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1pk8 s ILE 139 N -1.14 4.47 0.77 3.84 1.09 -0.68 -4.86 121.20 124.68 1pk8 s ILE 139 Ca 0.00 1.77 -0.11 0.00 -1.10 0.00 0.00 60.65 61.21 1pk8 s ILE 139 Cb 0.00 -4.14 0.05 0.00 -1.06 0.00 0.00 42.46 37.31 1pk8 s ILE 139 CO 0.00 -0.11 1.09 -1.81 -0.10 0.00 0.00 174.94 174.01 1pk8 s ASP 140 N 1.54 4.82 -0.13 3.58 1.01 -1.26 0.27 116.67 126.50 1pk8 s ASP 140 Ca 0.51 1.28 0.02 0.00 0.71 0.00 0.00 52.55 55.08 1pk8 s ASP 140 Cb -0.20 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1pk8 s ASP 140 CO 0.13 -1.76 -0.20 -0.63 0.21 0.00 0.00 175.17 172.92 1pk8 s ILE 141 N -3.20 1.90 -0.23 0.77 1.01 -1.25 -1.78 121.20 118.42 1pk8 s ILE 141 Ca 0.60 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1pk8 s ILE 141 Cb -0.13 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1pk8 s ILE 141 CO 0.54 0.52 0.11 -0.75 0.00 0.00 0.00 174.94 175.36 1pk8 s LYS 142 N 0.80 3.94 -0.22 2.79 2.47 0.39 -4.95 119.74 124.95 1pk8 s LYS 142 Ca -0.09 -0.34 -0.09 0.00 -1.56 0.00 0.00 55.97 53.89 1pk8 s LYS 142 Cb -0.16 -3.41 -0.05 0.00 -1.46 0.00 0.00 37.83 32.76 1pk8 s LYS 142 CO -0.00 0.05 0.12 0.08 0.16 0.00 0.00 175.35 175.75 1pk8 s VAL 143 N 1.04 5.13 -0.08 4.02 1.01 -1.26 -0.13 120.40 130.12 1pk8 s VAL 143 Ca 0.06 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1pk8 s VAL 143 Cb -0.14 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 1pk8 s VAL 143 CO 0.04 0.39 -0.20 -1.61 0.00 0.00 0.00 175.10 173.72 1pk8 s GLU 144 N 0.79 2.85 -0.00 2.72 0.41 -0.06 -4.87 118.70 120.54 1pk8 s GLU 144 Ca 0.06 -0.80 0.03 0.00 -0.41 0.00 0.00 54.97 53.85 1pk8 s GLU 144 Cb -0.13 -2.35 -0.01 0.00 -1.78 0.00 0.00 34.13 29.86 1pk8 s GLU 144 CO 0.02 0.35 -0.11 -1.14 -0.49 0.00 0.00 175.26 173.89 1pk8 s GLN 145 N -0.05 0.88 -0.11 1.61 0.74 -1.26 0.08 119.66 121.55 1pk8 s GLN 145 Ca -0.05 -0.41 -0.31 0.00 0.05 0.00 0.00 55.36 54.63 1pk8 s GLN 145 Cb -0.14 -0.85 0.12 0.00 1.10 0.00 0.00 33.01 33.24 1pk8 s GLN 145 CO 0.04 0.23 1.05 0.00 -0.55 0.00 0.00 175.29 176.07 1pk8 s ALA 146 N -0.30 -1.95 0.61 1.58 0.00 -0.59 -4.97 121.76 116.14 1pk8 s ALA 146 Ca 0.04 1.38 -0.08 0.00 0.00 0.00 0.00 51.96 53.29 1pk8 s ALA 146 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1pk8 s ALA 146 CO -0.00 -0.57 0.96 -1.21 0.00 0.00 0.00 175.76 174.94 1pk8 s GLU 147 N -2.42 3.18 0.23 0.00 2.02 -1.23 -1.91 118.70 118.57 1pk8 s GLU 147 Ca 0.06 0.33 -0.07 0.00 0.02 0.00 0.00 54.97 55.31 1pk8 s GLU 147 Cb -0.01 -2.18 0.28 0.00 0.10 0.00 0.00 34.13 32.32 1pk8 s GLU 147 CO -0.06 -0.66 1.86 0.74 0.02 0.00 0.00 175.26 177.16 1pk8 h PHE 148 N -0.26 0.95 0.00 1.61 0.04 -1.92 -2.49 116.94 114.87 1pk8 h PHE 148 Ca -0.45 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1pk8 h PHE 148 Cb 1.23 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1pk8 h PHE 148 CO 0.55 0.51 0.00 -1.13 -0.60 0.00 0.00 178.31 177.64 1pk8 n SER 149 N -4.62 0.48 -0.76 2.17 3.41 -1.26 -1.49 113.62 111.55 1pk8 n SER 149 Ca 0.11 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.50 1pk8 n SER 149 Cb 0.13 -0.78 0.20 0.00 -0.26 0.00 0.00 64.21 63.50 1pk8 n SER 149 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pk8 n ASP 150 N -2.14 3.37 -4.42 4.04 8.00 -0.94 -5.01 116.55 119.45 1pk8 n ASP 150 Ca -0.01 -2.44 -0.28 0.00 0.71 0.00 0.00 54.79 52.77 1pk8 n ASP 150 Cb 0.04 -0.37 -0.12 0.00 -0.02 0.00 0.00 41.12 40.65 1pk8 n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pk8 s LEU 151 N -1.79 2.43 0.22 0.64 1.43 -0.55 0.66 118.68 121.72 1pk8 s LEU 151 Ca 0.32 -0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 52.44 1pk8 s LEU 151 Cb 0.22 -1.23 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1pk8 s LEU 151 CO 0.13 0.14 0.56 0.21 0.23 0.00 0.00 176.35 177.62 1pk8 s ASN 152 N -2.44 -0.23 0.29 2.29 3.84 -0.43 -5.01 114.94 113.25 1pk8 s ASN 152 Ca 0.18 -0.59 -0.20 0.00 0.21 0.00 0.00 52.86 52.47 1pk8 s ASN 152 Cb -0.09 0.61 0.03 0.00 -0.55 0.00 0.00 41.25 41.26 1pk8 s ASN 152 CO 0.09 -1.13 0.75 -1.48 -2.79 0.00 0.00 177.10 172.54 1pk8 s LEU 153 N -2.91 -0.20 -0.05 3.21 0.05 -1.26 0.38 118.68 117.90 1pk8 s LEU 153 Ca 0.12 -0.70 -0.03 0.00 0.05 0.00 0.00 54.13 53.57 1pk8 s LEU 153 Cb -0.02 2.71 0.03 0.00 -2.05 0.00 0.00 46.19 46.86 1pk8 s LEU 153 CO 0.01 -1.39 0.12 0.54 -0.55 0.00 0.00 176.35 175.08 1pk8 s VAL 154 N -3.56 -0.04 0.04 1.48 0.11 -0.70 -4.98 120.40 112.76 1pk8 s VAL 154 Ca 0.12 0.15 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1pk8 s VAL 154 Cb -0.06 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1pk8 s VAL 154 CO 0.08 0.06 -0.16 0.00 -3.33 0.00 0.00 175.10 171.74 1pk8 s ALA 155 N 0.90 1.35 0.06 1.54 0.00 -1.26 -1.53 121.76 122.81 1pk8 s ALA 155 Ca -0.07 -0.90 0.09 0.00 0.00 0.00 0.00 51.96 51.08 1pk8 s ALA 155 Cb -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1pk8 s ALA 155 CO -0.04 0.27 -0.25 -1.01 0.00 0.00 0.00 175.76 174.73 1pk8 s HIS 156 N -0.85 2.36 0.52 0.00 3.76 0.18 -4.99 115.29 116.26 1pk8 s HIS 156 Ca 0.03 -0.38 0.25 0.00 -0.15 0.00 0.00 55.06 54.81 1pk8 s HIS 156 Cb -0.08 -1.38 1.55 0.00 1.11 0.00 0.00 32.58 33.77 1pk8 s HIS 156 CO 0.01 0.18 2.16 0.00 -0.85 0.00 0.00 174.74 176.24 1pk8 h ALA 157 N 4.62 1.56 0.00 -1.40 0.00 -1.88 -1.68 119.26 120.48 1pk8 h ALA 157 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1pk8 h ALA 157 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1pk8 h ALA 157 CO 0.44 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.02 1pk8 n ASN 158 N -3.97 0.00 0.00 0.00 0.23 -1.26 -4.85 115.26 105.41 1pk8 n ASN 158 Ca -0.03 -0.86 0.00 0.00 -0.53 0.00 0.00 54.58 53.17 1pk8 n ASN 158 Cb 0.14 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.84 1pk8 n ASN 158 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pk8 n GLY 159 N 0.45 3.16 3.77 4.83 0.00 -0.63 -5.07 105.19 111.70 1pk8 n GLY 159 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1pk8 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pk8 s GLY 160 N -2.78 2.68 -0.17 -0.02 0.00 -1.25 -4.84 107.32 100.95 1pk8 s GLY 160 Ca 0.00 0.89 -0.35 0.00 0.00 0.00 0.00 44.72 45.27 1pk8 s GLY 160 CO 0.00 1.27 1.27 -0.11 0.00 0.00 0.00 173.10 175.53 1pk8 s PHE 161 N -1.69 -0.08 -0.16 1.90 -0.71 -1.26 -0.65 117.98 115.32 1pk8 s PHE 161 Ca 0.73 0.03 -0.13 0.00 -1.04 0.00 0.00 56.93 56.52 1pk8 s PHE 161 Cb -0.26 0.52 0.05 0.00 -1.21 0.00 0.00 43.02 42.11 1pk8 s PHE 161 CO 0.30 -0.17 0.41 0.45 -1.34 0.00 0.00 175.22 174.86 1pk8 s SER 162 N -2.37 -0.46 -0.22 1.98 0.15 -0.58 -4.85 113.70 107.35 1pk8 s SER 162 Ca 0.11 0.85 -0.06 0.00 0.70 0.00 0.00 55.95 57.55 1pk8 s SER 162 Cb 0.01 0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 65.11 1pk8 s SER 162 CO -0.04 -0.16 0.03 -0.69 1.20 0.00 0.00 173.24 173.58 1pk8 s VAL 163 N 0.59 4.12 -0.17 4.45 1.01 0.03 -1.72 120.40 128.71 1pk8 s VAL 163 Ca -0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 1pk8 s VAL 163 Cb -0.05 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1pk8 s VAL 163 CO -0.04 0.40 0.10 -1.81 0.00 0.00 0.00 175.10 173.75 1pk8 s ASP 164 N 1.22 5.97 -0.05 3.32 1.01 0.16 -0.42 116.67 127.89 1pk8 s ASP 164 Ca 0.04 0.21 0.07 0.00 0.71 0.00 0.00 52.55 53.57 1pk8 s ASP 164 Cb -0.15 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 1pk8 s ASP 164 CO 0.02 0.22 -0.25 -0.32 0.21 0.00 0.00 175.17 175.05 1pk8 s MET 165 N 0.08 2.41 1.46 8.23 -2.45 0.59 -1.32 119.30 128.31 1pk8 s MET 165 Ca 0.08 -0.91 0.00 0.00 -1.25 0.00 0.00 55.69 53.61 1pk8 s MET 165 Cb -0.12 -2.11 0.00 0.00 1.25 0.00 0.00 34.83 33.85 1pk8 s MET 165 CO -0.00 0.43 0.00 -1.91 1.05 0.00 0.00 175.02 174.59 1pk8 n GLU 166 N 2.81 0.00 -3.63 4.11 2.13 0.21 -1.23 120.64 125.04 1pk8 n GLU 166 Ca -0.17 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.45 1pk8 n GLU 166 Cb 0.52 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 32.06 1pk8 n GLU 166 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1pk8 s VAL 175 N 0.00 -0.18 -0.01 6.31 1.01 -1.26 -5.01 120.40 121.25 1pk8 s VAL 175 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1pk8 s VAL 175 Cb 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1pk8 s VAL 175 CO 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 175.10 174.96 1pk8 s ARG 176 N 2.22 1.28 -0.02 2.72 1.70 -0.36 -5.14 118.95 121.35 1pk8 s ARG 176 Ca 0.04 -0.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 1pk8 s ARG 176 Cb -0.13 -1.22 -0.04 0.00 -0.57 0.00 0.00 34.95 32.99 1pk8 s ARG 176 CO -0.07 0.32 -0.01 -1.54 -1.08 0.00 0.00 175.30 172.93 1pk8 s SER 177 N -0.31 5.09 0.31 -2.89 1.04 -1.26 -0.30 113.70 115.39 1pk8 s SER 177 Ca 0.05 0.01 0.04 0.00 0.48 0.00 0.00 55.95 56.52 1pk8 s SER 177 Cb -0.06 -1.34 -0.03 0.00 0.10 0.00 0.00 66.02 64.68 1pk8 s SER 177 CO -0.00 0.30 0.18 -1.48 0.98 0.00 0.00 173.24 173.22 1pk8 s LEU 178 N -1.41 1.68 -0.46 2.42 2.34 0.44 -4.95 118.68 118.73 1pk8 s LEU 178 Ca 0.18 -1.60 0.04 0.00 0.06 0.00 0.00 54.13 52.81 1pk8 s LEU 178 Cb -0.11 0.26 0.17 0.00 -0.56 0.00 0.00 46.19 45.94 1pk8 s LEU 178 CO 0.08 -0.93 0.35 -0.75 -1.06 0.00 0.00 176.35 174.05 1pk8 s LYS 179 N -3.75 1.18 0.30 1.48 2.20 -1.26 -0.79 119.74 119.10 1pk8 s LYS 179 Ca 0.36 -2.28 -0.30 0.00 -0.36 0.00 0.00 55.97 53.39 1pk8 s LYS 179 Cb 0.04 -1.81 -0.12 0.00 -1.51 0.00 0.00 37.83 34.43 1pk8 s LYS 179 CO 0.19 -1.35 1.52 -2.30 -0.36 0.00 0.00 175.35 173.05 1pk8 n PRO 180 N 2.80 2.51 0.03 4.03 -0.02 -1.26 -4.77 135.00 138.32 1pk8 n PRO 180 Ca 0.26 0.89 0.11 0.00 -2.02 0.00 0.00 63.50 62.74 1pk8 n PRO 180 Cb 0.44 -2.62 0.08 0.00 -0.02 0.00 0.00 33.50 31.38 1pk8 n PRO 180 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pk8 n ASP 181 N 1.83 0.63 -3.48 2.55 8.00 0.21 -4.95 116.55 121.35 1pk8 n ASP 181 Ca 0.08 -0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1pk8 n ASP 181 Cb 0.36 0.57 -0.04 0.00 -0.02 0.00 0.00 41.12 42.00 1pk8 n ASP 181 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pk8 s PHE 182 N -3.16 -0.55 0.02 1.24 2.19 -0.93 -4.36 117.98 112.44 1pk8 s PHE 182 Ca 0.05 0.62 0.03 0.00 0.33 0.00 0.00 56.93 57.96 1pk8 s PHE 182 Cb 0.15 0.50 -0.02 0.00 -1.31 0.00 0.00 43.02 42.34 1pk8 s PHE 182 CO 0.77 -0.70 -0.09 0.08 1.83 0.00 0.00 175.22 177.12 1pk8 s VAL 183 N -2.60 0.65 -0.16 3.12 1.01 -0.74 -0.91 120.40 120.77 1pk8 s VAL 183 Ca -0.03 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1pk8 s VAL 183 Cb -0.01 -0.62 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1pk8 s VAL 183 CO -0.03 -0.07 -0.16 -0.22 0.00 0.00 0.00 175.10 174.62 1pk8 s LEU 184 N -0.87 1.91 -0.37 3.92 2.96 -0.37 -1.92 118.68 123.94 1pk8 s LEU 184 Ca -0.02 -0.58 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 1pk8 s LEU 184 Cb -0.06 -1.29 0.03 0.00 0.50 0.00 0.00 46.19 45.37 1pk8 s LEU 184 CO 0.00 -0.04 0.19 -0.63 -1.32 0.00 0.00 176.35 174.55 1pk8 s ILE 185 N 1.41 4.39 -1.00 6.68 1.01 0.22 -1.55 121.20 132.36 1pk8 s ILE 185 Ca 0.04 -0.96 0.16 0.00 0.00 0.00 0.00 60.65 59.89 1pk8 s ILE 185 Cb -0.13 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.74 1pk8 s ILE 185 CO -0.11 -0.25 0.74 0.54 0.00 0.00 0.00 174.94 175.85 1pk8 n ARG 186 N 4.95 1.75 -4.02 2.79 5.12 -0.43 -4.02 116.66 122.79 1pk8 n ARG 186 Ca -0.12 -0.27 -0.29 0.00 -1.93 0.00 0.00 57.85 55.24 1pk8 n ARG 186 Cb 0.45 -1.26 -0.06 0.00 -1.16 0.00 0.00 32.46 30.44 1pk8 n ARG 186 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1pk8 s GLN 187 N -2.31 3.02 0.13 5.56 0.74 -1.13 -4.43 119.66 121.25 1pk8 s GLN 187 Ca 0.09 -0.67 -0.31 0.00 0.05 0.00 0.00 55.36 54.51 1pk8 s GLN 187 Cb 0.12 -2.79 -0.09 0.00 1.10 0.00 0.00 33.01 31.36 1pk8 s GLN 187 CO 0.57 0.56 1.54 -1.01 -0.55 0.00 0.00 175.29 176.40 1pk8 s HIS 188 N -1.50 2.95 -0.57 1.67 3.76 -1.26 -4.77 115.29 115.58 1pk8 s HIS 188 Ca 0.31 0.64 0.25 0.00 -0.15 0.00 0.00 55.06 56.10 1pk8 s HIS 188 Cb -0.12 -3.87 0.59 0.00 1.11 0.00 0.00 32.58 30.29 1pk8 s HIS 188 CO 0.24 -3.25 1.70 0.00 -0.85 0.00 0.00 174.74 172.57 1pk8 h ALA 189 N 7.17 1.00 -2.89 -1.40 0.00 -1.92 -3.46 119.26 117.76 1pk8 h ALA 189 Ca -0.42 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 1pk8 h ALA 189 Cb 1.20 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.74 1pk8 h ALA 189 CO 0.91 0.00 -0.33 0.12 0.00 0.00 0.00 179.25 179.94 1pk8 s PHE 190 N -3.17 -0.40 -0.07 0.00 5.36 -1.25 -0.98 117.98 117.46 1pk8 s PHE 190 Ca 0.09 0.95 -0.10 0.00 -0.96 0.00 0.00 56.93 56.90 1pk8 s PHE 190 Cb 0.09 0.14 0.02 0.00 -0.34 0.00 0.00 43.02 42.93 1pk8 s PHE 190 CO 0.63 -0.21 0.26 0.45 -1.46 0.00 0.00 175.22 174.90 1pk8 s SER 191 N 0.48 -0.23 0.00 6.13 0.15 0.23 -4.84 113.70 115.62 1pk8 s SER 191 Ca -0.02 0.35 0.15 0.00 0.70 0.00 0.00 55.95 57.13 1pk8 s SER 191 Cb -0.04 0.46 0.60 0.00 -1.71 0.00 0.00 66.02 65.33 1pk8 s SER 191 CO -0.02 -0.21 1.43 0.23 1.20 0.00 0.00 173.24 175.86 1pk8 n MET 192 N 2.38 1.49 -2.33 5.44 2.81 -0.36 -3.84 117.12 122.71 1pk8 n MET 192 Ca -0.16 -0.74 -0.32 0.00 -1.81 0.00 0.00 57.70 54.67 1pk8 n MET 192 Cb 0.57 -1.28 -0.03 0.00 -0.71 0.00 0.00 33.22 31.77 1pk8 n MET 192 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pk8 s ALA 193 N -1.80 3.03 0.29 3.04 0.00 -1.26 -4.96 121.76 120.11 1pk8 s ALA 193 Ca 0.24 0.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1pk8 s ALA 193 Cb 0.12 -3.13 -0.13 0.00 0.00 0.00 0.00 23.12 19.99 1pk8 s ALA 193 CO 0.19 -0.32 1.28 -2.13 0.00 0.00 0.00 175.76 174.77 1pk8 n ARG 194 N -1.70 1.93 -0.86 0.00 0.63 -1.26 -1.72 116.66 113.68 1pk8 n ARG 194 Ca 0.07 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1pk8 n ARG 194 Cb 0.54 -2.25 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1pk8 n ARG 194 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1pk8 n ASN 195 N 1.36 -0.64 -0.83 6.15 4.13 -1.26 -4.89 115.26 119.28 1pk8 n ASN 195 Ca 0.08 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.41 1pk8 n ASN 195 Cb 0.33 -0.94 0.19 0.00 -1.54 0.00 0.00 39.78 37.83 1pk8 n ASN 195 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pk8 n GLY 196 N -1.95 1.10 3.40 7.41 0.00 -0.70 -4.84 105.19 109.62 1pk8 n GLY 196 Ca 0.00 -0.47 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 1pk8 n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pk8 s ASP 197 N -0.97 6.19 -0.14 1.61 -1.08 -1.25 -0.60 116.67 120.43 1pk8 s ASP 197 Ca 0.29 -1.23 0.16 0.00 -0.52 0.00 0.00 52.55 51.25 1pk8 s ASP 197 Cb 0.16 -2.26 0.41 0.00 -1.46 0.00 0.00 42.92 39.77 1pk8 s ASP 197 CO 0.19 -0.88 1.30 -1.22 0.52 0.00 0.00 175.17 175.08 1pk8 n TYR 198 N 5.88 0.54 -0.27 -5.34 4.01 -0.16 -4.70 117.16 117.12 1pk8 n TYR 198 Ca -0.09 -0.88 0.05 0.00 -0.16 0.00 0.00 57.90 56.81 1pk8 n TYR 198 Cb 0.44 -0.23 0.27 0.00 -0.31 0.00 0.00 39.34 39.51 1pk8 n TYR 198 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pk8 h ARG 199 N 1.11 0.93 0.00 -0.72 3.08 -1.88 -1.10 114.38 115.80 1pk8 h ARG 199 Ca 0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1pk8 h ARG 199 Cb 1.20 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 1pk8 h ARG 199 CO 0.12 0.61 -0.13 0.66 -1.07 0.00 0.00 179.97 180.16 1pk8 h SER 200 N 0.95 0.00 -0.06 7.04 4.64 -1.92 0.09 113.55 124.29 1pk8 h SER 200 Ca 0.36 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.48 1pk8 h SER 200 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1pk8 h SER 200 CO -0.13 0.13 -0.73 -0.07 -0.87 0.00 0.00 176.83 175.16 1pk8 h LEU 201 N 0.00 0.82 -0.77 5.97 3.38 -1.57 -0.78 115.31 122.35 1pk8 h LEU 201 Ca -0.00 -0.52 -0.08 0.00 0.09 0.00 0.00 57.88 57.37 1pk8 h LEU 201 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1pk8 h LEU 201 CO 0.02 1.30 0.04 0.58 0.09 0.00 0.00 178.44 180.47 1pk8 h VAL 202 N 0.49 1.26 -0.22 1.22 2.07 -0.98 -0.74 116.25 119.35 1pk8 h VAL 202 Ca -0.04 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1pk8 h VAL 202 Cb 1.34 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1pk8 h VAL 202 CO 0.14 0.38 0.08 0.40 0.02 0.00 0.00 177.57 178.60 1pk8 h ILE 203 N 0.90 1.17 -0.77 4.57 2.04 -0.93 -2.05 117.51 122.44 1pk8 h ILE 203 Ca 0.17 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1pk8 h ILE 203 Cb 0.47 1.12 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1pk8 h ILE 203 CO 0.02 0.17 0.46 1.23 0.00 0.00 0.00 178.15 180.03 1pk8 h GLY 204 N 0.19 1.16 1.05 5.37 0.00 -0.78 0.18 103.07 110.23 1pk8 h GLY 204 Ca 0.07 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1pk8 h GLY 204 CO -0.00 0.21 0.24 1.41 0.00 0.00 0.00 176.54 178.39 1pk8 h LEU 205 N 0.83 1.05 -0.72 3.11 3.38 -0.95 0.18 115.31 122.18 1pk8 h LEU 205 Ca 0.34 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 1pk8 h LEU 205 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1pk8 h LEU 205 CO -0.18 0.97 -0.40 -0.61 0.09 0.00 0.00 178.44 178.31 1pk8 h GLN 206 N 1.07 0.51 -0.42 1.13 5.75 -0.62 -1.91 115.11 120.62 1pk8 h GLN 206 Ca 0.24 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1pk8 h GLN 206 Cb 0.29 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 1pk8 h GLN 206 CO -0.01 0.83 -0.00 -0.92 -2.65 0.00 0.00 178.83 176.07 1pk8 h TYR 207 N 0.43 0.72 0.00 3.99 5.03 -0.16 -0.77 116.97 126.20 1pk8 h TYR 207 Ca 0.04 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1pk8 h TYR 207 Cb 0.88 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.96 1pk8 h TYR 207 CO 0.03 0.68 0.00 0.00 -1.32 0.00 0.00 178.16 177.55 1pk8 n ALA 208 N -2.47 2.38 -1.97 1.82 0.00 0.00 -4.84 120.51 115.43 1pk8 n ALA 208 Ca 0.02 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1pk8 n ALA 208 Cb 0.28 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1pk8 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk8 n GLY 209 N 1.29 0.27 3.68 0.00 0.00 -0.30 -4.97 105.19 105.16 1pk8 n GLY 209 Ca 0.11 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1pk8 n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk8 s ILE 210 N -2.51 4.84 0.61 -0.61 1.01 -0.93 -5.03 121.20 118.58 1pk8 s ILE 210 Ca 0.00 1.78 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 1pk8 s ILE 210 Cb 0.00 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 1pk8 s ILE 210 CO 0.00 0.01 1.27 -2.84 0.00 0.00 0.00 174.94 173.39 1pk8 s PRO 211 N 2.14 2.79 0.24 2.79 0.02 -1.26 -4.77 135.00 136.96 1pk8 s PRO 211 Ca 0.42 2.01 -0.13 0.00 0.02 0.00 0.00 61.00 63.32 1pk8 s PRO 211 Cb -0.17 -1.94 -0.00 0.00 0.02 0.00 0.00 34.50 32.41 1pk8 s PRO 211 CO 0.14 -1.39 0.46 0.45 -0.33 0.00 0.00 177.00 176.32 1pk8 s SER 212 N -1.39 -0.09 -0.10 2.53 0.15 -1.26 -1.79 113.70 111.75 1pk8 s SER 212 Ca 0.79 -0.90 -0.03 0.00 0.70 0.00 0.00 55.95 56.51 1pk8 s SER 212 Cb -0.36 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1pk8 s SER 212 CO 0.39 -1.11 0.08 -0.69 1.20 0.00 0.00 173.24 173.10 1pk8 s VAL 213 N -4.01 -0.10 1.07 4.45 1.01 -0.81 -3.33 120.40 118.69 1pk8 s VAL 213 Ca 0.21 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 1pk8 s VAL 213 Cb -0.00 -0.35 0.23 0.00 0.00 0.00 0.00 36.38 36.25 1pk8 s VAL 213 CO 0.08 -0.04 1.14 0.20 0.00 0.00 0.00 175.10 176.48 1pk8 s ASN 214 N 2.16 2.08 0.43 3.32 0.01 -1.26 -0.61 114.94 121.07 1pk8 s ASN 214 Ca 0.04 0.76 -0.26 0.00 -0.71 0.00 0.00 52.86 52.69 1pk8 s ASN 214 Cb -0.14 -1.14 -0.09 0.00 0.41 0.00 0.00 41.25 40.29 1pk8 s ASN 214 CO -0.06 -3.42 1.36 -1.54 -1.51 0.00 0.00 177.10 171.92 1pk8 n SER 215 N -4.31 2.97 -0.05 -1.22 3.41 -1.21 -4.78 113.62 108.43 1pk8 n SER 215 Ca 0.10 1.12 0.11 0.00 -0.26 0.00 0.00 58.87 59.94 1pk8 n SER 215 Cb 0.59 -1.55 0.50 0.00 -0.26 0.00 0.00 64.21 63.49 1pk8 n SER 215 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1pk8 h LEU 216 N 2.24 0.36 -0.02 1.04 3.38 -1.90 -0.78 115.31 119.64 1pk8 h LEU 216 Ca -0.49 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1pk8 h LEU 216 Cb 1.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 1pk8 h LEU 216 CO 0.61 0.23 -0.02 -0.74 0.09 0.00 0.00 178.44 178.60 1pk8 h HIS 217 N 0.40 -0.06 -0.45 1.13 2.76 -1.93 -0.13 115.15 116.89 1pk8 h HIS 217 Ca 0.24 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1pk8 h HIS 217 Cb 0.43 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.39 1pk8 h HIS 217 CO -0.00 -0.04 0.02 0.66 -1.30 0.00 0.00 177.93 177.27 1pk8 h SER 218 N -0.03 0.68 -0.49 3.26 4.64 -1.48 -1.65 113.55 118.48 1pk8 h SER 218 Ca 0.02 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 1pk8 h SER 218 Cb 0.06 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1pk8 h SER 218 CO -0.04 0.74 0.18 0.58 -0.87 0.00 0.00 176.83 177.42 1pk8 h VAL 219 N 0.68 1.21 -0.27 0.95 2.07 -0.73 -1.01 116.25 119.15 1pk8 h VAL 219 Ca 0.14 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1pk8 h VAL 219 Cb 0.40 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1pk8 h VAL 219 CO 0.01 0.25 0.12 0.22 0.02 0.00 0.00 177.57 178.20 1pk8 h TYR 220 N 0.65 0.40 0.00 1.57 5.03 -0.75 -2.50 116.97 121.36 1pk8 h TYR 220 Ca 0.16 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.45 1pk8 h TYR 220 Cb 0.21 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.37 1pk8 h TYR 220 CO 0.01 0.39 0.00 0.09 -1.32 0.00 0.00 178.16 177.33 1pk8 n ASN 221 N -4.78 0.00 -0.50 -2.11 3.02 -0.65 -2.04 115.26 108.20 1pk8 n ASN 221 Ca -0.02 0.46 0.13 0.00 -0.03 0.00 0.00 54.58 55.11 1pk8 n ASN 221 Cb 0.12 -0.48 0.47 0.00 -0.61 0.00 0.00 39.78 39.27 1pk8 n ASN 221 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1pk8 n PHE 222 N -1.48 0.09 1.89 3.10 3.01 -0.40 -4.25 117.46 119.43 1pk8 n PHE 222 Ca 0.05 -0.05 0.06 0.00 1.01 0.00 0.00 57.45 58.53 1pk8 n PHE 222 Cb 0.22 0.00 0.36 0.00 -0.01 0.00 0.00 39.48 40.05 1pk8 n PHE 222 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pk8 s ASP 224 N -1.43 3.43 0.28 0.00 1.01 -1.26 -4.94 116.67 113.76 1pk8 s ASP 224 Ca 0.18 -1.23 0.02 0.00 0.71 0.00 0.00 52.55 52.22 1pk8 s ASP 224 Cb 0.08 -0.45 0.67 0.00 1.01 0.00 0.00 42.92 44.23 1pk8 s ASP 224 CO 0.14 -0.41 1.69 0.11 0.21 0.00 0.00 175.17 176.90 1pk8 h LYS 225 N 8.34 0.33 0.00 8.23 1.57 -1.86 0.19 116.57 133.37 1pk8 h LYS 225 Ca -0.18 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1pk8 h LYS 225 Cb 1.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1pk8 h LYS 225 CO 0.42 0.22 -0.22 -1.35 -0.57 0.00 0.00 179.45 177.95 1pk8 h PRO 226 N 0.34 0.00 -0.42 3.15 0.11 -1.96 0.11 132.00 133.34 1pk8 h PRO 226 Ca 0.53 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.50 1pk8 h PRO 226 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1pk8 h PRO 226 CO -0.55 0.22 -0.27 2.35 -0.21 0.00 0.00 178.00 179.54 1pk8 h TRP 227 N 0.00 1.08 -0.01 0.65 2.91 -1.32 0.97 115.95 120.24 1pk8 h TRP 227 Ca -0.00 -0.29 -0.00 0.00 1.13 0.00 0.00 58.89 59.73 1pk8 h TRP 227 Cb 0.42 -0.24 -0.00 0.00 -0.51 0.00 0.00 29.16 28.83 1pk8 h TRP 227 CO 0.00 1.10 0.00 0.28 -1.03 0.00 0.00 178.44 178.79 1pk8 h VAL 228 N 0.75 1.22 -0.94 2.65 2.07 -0.88 -2.73 116.25 118.40 1pk8 h VAL 228 Ca 0.08 -0.65 0.16 0.00 0.82 0.00 0.00 66.70 67.12 1pk8 h VAL 228 Cb 0.85 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 32.20 1pk8 h VAL 228 CO 0.07 0.17 0.60 0.15 0.02 0.00 0.00 177.57 178.58 1pk8 h PHE 229 N -0.27 0.86 -0.78 1.57 3.57 -0.62 0.11 116.94 121.38 1pk8 h PHE 229 Ca 0.00 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1pk8 h PHE 229 Cb 0.28 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 1pk8 h PHE 229 CO 0.02 0.27 0.51 0.00 -2.23 0.00 0.00 178.31 176.88 1pk8 h ALA 230 N 1.60 1.72 -0.56 2.41 0.00 -0.49 0.13 119.26 124.07 1pk8 h ALA 230 Ca 0.49 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.29 1pk8 h ALA 230 Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1pk8 h ALA 230 CO -0.25 0.13 -0.02 1.96 0.00 0.00 0.00 179.25 181.07 1pk8 h GLN 231 N 0.76 0.98 0.00 0.00 1.08 -0.70 -2.34 115.11 114.90 1pk8 h GLN 231 Ca 0.35 -0.31 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1pk8 h GLN 231 Cb 0.37 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1pk8 h GLN 231 CO -0.13 0.98 -0.43 0.52 -0.95 0.00 0.00 178.83 178.82 1pk8 h MET 232 N 0.90 0.00 -0.62 1.46 2.86 -0.69 -2.15 114.93 116.68 1pk8 h MET 232 Ca 0.16 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1pk8 h MET 232 Cb 0.55 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1pk8 h MET 232 CO 0.03 0.43 0.26 0.28 1.06 0.00 0.00 176.91 178.97 1pk8 h VAL 233 N 0.00 1.22 -0.26 -2.22 2.07 -0.44 0.26 116.25 116.87 1pk8 h VAL 233 Ca -0.00 -0.66 -0.14 0.00 0.82 0.00 0.00 66.70 66.71 1pk8 h VAL 233 Cb 0.78 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1pk8 h VAL 233 CO 0.06 0.27 -0.38 -0.09 0.02 0.00 0.00 177.57 177.44 1pk8 h ARG 234 N 0.89 0.72 -0.62 1.57 2.43 -1.11 -1.79 114.38 116.46 1pk8 h ARG 234 Ca 0.21 -0.42 0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1pk8 h ARG 234 Cb 0.16 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1pk8 h ARG 234 CO -0.02 1.05 0.40 -0.07 -1.51 0.00 0.00 179.97 179.82 1pk8 h LEU 235 N 0.46 0.69 -0.95 3.80 3.38 -0.96 -1.67 115.31 120.05 1pk8 h LEU 235 Ca 0.03 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1pk8 h LEU 235 Cb 0.97 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 1pk8 h LEU 235 CO 0.09 0.49 0.63 -0.74 0.09 0.00 0.00 178.44 178.99 1pk8 h HIS 236 N 0.81 1.18 0.00 1.13 2.76 -0.86 0.28 115.15 120.46 1pk8 h HIS 236 Ca 0.24 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.38 1pk8 h HIS 236 Cb -0.06 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 28.50 1pk8 h HIS 236 CO -0.04 0.73 -0.27 0.87 -1.30 0.00 0.00 177.93 177.92 1pk8 h LYS 237 N 1.26 0.00 0.02 5.26 1.57 -0.66 0.10 116.57 124.12 1pk8 h LYS 237 Ca 0.36 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1pk8 h LYS 237 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1pk8 h LYS 237 CO -0.09 0.27 -0.74 -0.22 -0.57 0.00 0.00 179.45 178.10 1pk8 h LYS 238 N 0.00 0.04 -0.08 3.15 3.64 -0.40 -3.40 116.57 119.53 1pk8 h LYS 238 Ca -0.00 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.07 1pk8 h LYS 238 Cb 0.53 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.39 1pk8 h LYS 238 CO 0.03 1.03 -0.90 -0.07 -2.27 0.00 0.00 179.45 177.27 1pk8 h LEU 239 N -0.90 0.93 0.00 5.20 3.38 -0.48 -3.51 115.31 119.93 1pk8 h LEU 239 Ca -0.19 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1pk8 h LEU 239 Cb 1.24 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1pk8 h LEU 239 CO -0.08 1.48 0.00 0.61 0.09 0.00 0.00 178.44 180.54 1pk8 n GLY 240 N 0.90 1.86 0.36 0.83 0.00 0.35 -4.45 105.19 105.03 1pk8 n GLY 240 Ca -0.09 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.31 1pk8 n GLY 240 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pk8 h THR 241 N 0.00 0.88 -0.00 2.61 2.02 -1.77 0.08 112.91 116.74 1pk8 h THR 241 Ca 0.00 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1pk8 h THR 241 Cb 0.00 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1pk8 h THR 241 CO 0.00 0.08 -0.27 -0.33 0.37 0.00 0.00 175.52 175.37 1pk8 h GLU 242 N 0.43 0.01 0.04 6.66 5.08 -1.97 -3.01 114.58 121.81 1pk8 h GLU 242 Ca 0.29 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.27 1pk8 h GLU 242 Cb 0.58 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1pk8 h GLU 242 CO -0.08 0.28 -2.21 0.39 -1.00 0.00 0.00 179.01 176.39 1pk8 n GLU 243 N -4.22 0.66 -3.76 2.33 -0.58 -0.78 -4.81 120.64 109.49 1pk8 n GLU 243 Ca -0.02 0.25 -0.29 0.00 -0.42 0.00 0.00 57.16 56.68 1pk8 n GLU 243 Cb 0.32 -1.60 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 1pk8 n GLU 243 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1pk8 s PHE 244 N -2.51 2.30 -1.35 -0.32 5.36 -0.05 -4.84 117.98 116.56 1pk8 s PHE 244 Ca -0.31 -2.63 -0.16 0.00 -0.96 0.00 0.00 56.93 52.86 1pk8 s PHE 244 Cb 0.09 -2.10 0.03 0.00 -0.34 0.00 0.00 43.02 40.70 1pk8 s PHE 244 CO 0.63 -0.76 2.03 -0.35 -1.46 0.00 0.00 175.22 175.31 1pk8 n PRO 245 N 3.33 2.84 -2.16 10.12 -0.04 -1.14 -4.21 135.00 143.73 1pk8 n PRO 245 Ca 0.09 -2.78 -0.41 0.00 -0.04 0.00 0.00 63.50 60.36 1pk8 n PRO 245 Cb 0.34 -3.36 -0.03 0.00 -0.04 0.00 0.00 33.50 30.42 1pk8 n PRO 245 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pk8 s LEU 246 N 3.17 4.42 0.59 1.53 2.96 -1.26 -0.69 118.68 129.39 1pk8 s LEU 246 Ca 0.51 2.50 -0.18 0.00 -0.22 0.00 0.00 54.13 56.74 1pk8 s LEU 246 Cb 0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1pk8 s LEU 246 CO -0.01 -0.55 1.16 -0.51 -1.32 0.00 0.00 176.35 175.12 1pk8 s ILE 247 N -0.15 2.93 -1.15 6.68 2.07 -0.43 -4.76 121.20 126.40 1pk8 s ILE 247 Ca 0.56 0.55 -0.22 0.00 -1.41 0.00 0.00 60.65 60.13 1pk8 s ILE 247 Cb -0.38 -3.18 -0.04 0.00 0.13 0.00 0.00 42.46 38.98 1pk8 s ILE 247 CO 0.42 -0.15 1.87 -1.81 -1.91 0.00 0.00 174.94 173.36 1pk8 s ASP 248 N -1.84 5.45 0.15 4.50 1.11 -1.26 -4.96 116.67 119.82 1pk8 s ASP 248 Ca 0.74 -1.63 0.01 0.00 0.18 0.00 0.00 52.55 51.85 1pk8 s ASP 248 Cb -0.26 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.11 1pk8 s ASP 248 CO 0.32 -2.60 0.30 -1.58 1.18 0.00 0.00 175.17 172.80 1pk8 s GLN 249 N 6.08 3.46 -0.08 8.23 0.74 -1.26 -3.98 119.66 132.85 1pk8 s GLN 249 Ca 0.65 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 55.57 1pk8 s GLN 249 Cb -0.01 -2.94 0.01 0.00 1.10 0.00 0.00 33.01 31.17 1pk8 s GLN 249 CO 0.09 0.50 -0.16 0.99 -0.55 0.00 0.00 175.29 176.16 1pk8 s THR 250 N -1.74 1.46 -0.20 -0.34 2.01 0.58 -4.97 115.64 112.45 1pk8 s THR 250 Ca 0.36 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 1pk8 s THR 250 Cb -0.11 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1pk8 s THR 250 CO 0.28 0.43 0.17 0.12 -0.69 0.00 0.00 174.62 174.94 1pk8 s PHE 251 N 0.60 3.40 -0.25 4.92 5.36 -1.26 -1.42 117.98 129.33 1pk8 s PHE 251 Ca -0.15 0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 56.18 1pk8 s PHE 251 Cb -0.16 -2.22 0.04 0.00 -0.34 0.00 0.00 43.02 40.33 1pk8 s PHE 251 CO 0.05 0.24 -0.07 0.71 -1.46 0.00 0.00 175.22 174.68 1pk8 s TYR 252 N 0.51 3.11 0.43 10.12 2.02 0.28 -4.98 117.35 128.84 1pk8 s TYR 252 Ca 0.10 -1.76 0.16 0.00 -0.37 0.00 0.00 57.07 55.19 1pk8 s TYR 252 Cb -0.12 -2.03 1.05 0.00 -0.40 0.00 0.00 41.96 40.46 1pk8 s TYR 252 CO 0.00 -0.78 1.92 -1.35 -1.57 0.00 0.00 175.55 173.78 1pk8 h PRO 253 N 7.96 0.40 -3.05 -1.71 0.11 -1.94 -1.95 132.00 131.82 1pk8 h PRO 253 Ca -0.29 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1pk8 h PRO 253 Cb 1.09 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1pk8 h PRO 253 CO 0.55 0.27 0.23 0.54 -0.21 0.00 0.00 178.00 179.38 1pk8 s ASN 254 N -5.96 -0.06 0.54 -2.05 2.20 -1.26 -3.40 114.94 104.95 1pk8 s ASN 254 Ca -0.08 -0.97 0.27 0.00 -0.94 0.00 0.00 52.86 51.14 1pk8 s ASN 254 Cb 0.21 0.80 1.56 0.00 -2.00 0.00 0.00 41.25 41.82 1pk8 s ASN 254 CO 0.77 -1.55 2.14 1.12 -2.94 0.00 0.00 177.10 176.64 1pk8 h HIS 255 N 2.01 0.00 -0.19 1.54 2.07 -1.86 -3.15 115.15 115.56 1pk8 h HIS 255 Ca -0.27 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.30 1pk8 h HIS 255 Cb 1.25 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.22 1pk8 h HIS 255 CO 1.03 0.07 0.17 0.87 -3.07 0.00 0.00 177.93 177.00 1pk8 h LYS 256 N 0.00 0.00 -0.00 5.12 1.57 -1.97 -0.12 116.57 121.17 1pk8 h LYS 256 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pk8 h LYS 256 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1pk8 h LYS 256 CO 0.01 0.00 -0.31 0.39 -0.57 0.00 0.00 179.45 178.97 1pk8 n GLU 257 N -4.07 0.02 -2.61 3.15 -0.58 -1.19 -4.68 120.64 110.68 1pk8 n GLU 257 Ca 0.02 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.33 1pk8 n GLU 257 Cb 0.30 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1pk8 n GLU 257 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1pk8 s MET 258 N -2.98 3.71 -0.22 3.49 -1.94 -0.06 -4.74 119.30 116.55 1pk8 s MET 258 Ca 0.13 -1.43 -0.15 0.00 -1.71 0.00 0.00 55.69 52.52 1pk8 s MET 258 Cb 0.18 -5.36 -0.09 0.00 2.01 0.00 0.00 34.83 31.57 1pk8 s MET 258 CO 0.63 -2.17 -0.34 1.28 -0.01 0.00 0.00 175.02 174.41 1pk8 n LEU 259 N 8.48 1.90 0.00 -0.03 4.77 -1.26 -4.92 117.00 125.93 1pk8 n LEU 259 Ca 0.36 0.33 -0.02 0.00 -0.03 0.00 0.00 56.01 56.65 1pk8 n LEU 259 Cb 0.49 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1pk8 n LEU 259 CO 0.67 0.15 0.05 -1.54 -1.33 0.00 0.00 177.39 175.40 1pk8 n SER 260 N -4.31 -0.26 -3.79 -1.43 3.41 -1.26 -4.80 113.62 101.18 1pk8 n SER 260 Ca -0.34 -1.24 -0.13 0.00 -0.26 0.00 0.00 58.87 56.91 1pk8 n SER 260 Cb 0.70 0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 64.97 1pk8 n SER 260 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pk8 s SER 261 N -1.29 -0.21 0.15 4.04 0.15 -1.26 -5.05 113.70 110.23 1pk8 s SER 261 Ca 0.03 0.42 -0.23 0.00 0.70 0.00 0.00 55.95 56.87 1pk8 s SER 261 Cb -0.00 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.74 1pk8 s SER 261 CO 0.02 -0.09 1.61 0.71 1.20 0.00 0.00 173.24 176.70 1pk8 h THR 262 N 5.05 0.32 -2.44 6.45 1.35 -2.02 -3.44 112.91 118.17 1pk8 h THR 262 Ca -0.29 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.04 1pk8 h THR 262 Cb 1.19 0.32 -0.14 0.00 -1.73 0.00 0.00 68.15 67.78 1pk8 h THR 262 CO 0.38 0.00 -0.66 0.42 -0.25 0.00 0.00 175.52 175.41 1pk8 s THR 263 N -6.04 1.75 0.03 6.82 -4.23 -1.26 -5.16 115.64 107.56 1pk8 s THR 263 Ca -0.15 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.24 1pk8 s THR 263 Cb 0.12 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 1pk8 s THR 263 CO 0.68 -0.23 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.18 1pk8 s TYR 264 N -2.93 0.37 0.75 3.99 2.02 -1.26 -4.51 117.35 115.77 1pk8 s TYR 264 Ca 0.31 -0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 1pk8 s TYR 264 Cb 0.04 -0.26 0.04 0.00 -0.40 0.00 0.00 41.96 41.38 1pk8 s TYR 264 CO 0.14 -0.21 1.11 -1.25 -1.57 0.00 0.00 175.55 173.76 1pk8 s PRO 265 N -2.01 2.50 0.22 -1.71 0.04 -1.26 -5.00 135.00 127.78 1pk8 s PRO 265 Ca -0.10 0.45 0.04 0.00 0.04 0.00 0.00 61.00 61.43 1pk8 s PRO 265 Cb -0.06 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1pk8 s PRO 265 CO -0.03 -1.28 -0.03 0.14 0.04 0.00 0.00 177.00 175.84 1pk8 s VAL 266 N -3.34 1.12 -0.18 -0.36 -7.23 -0.15 -1.62 120.40 108.63 1pk8 s VAL 266 Ca 0.59 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 1pk8 s VAL 266 Cb -0.12 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1pk8 s VAL 266 CO 0.52 -0.42 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.07 1pk8 s VAL 267 N -3.37 2.74 -0.16 1.32 1.01 0.72 -0.11 120.40 122.55 1pk8 s VAL 267 Ca 0.26 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1pk8 s VAL 267 Cb 0.05 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1pk8 s VAL 267 CO 0.07 0.49 0.21 -0.69 0.00 0.00 0.00 175.10 175.18 1pk8 s VAL 268 N 1.14 5.36 -0.24 2.92 1.01 0.53 -2.05 120.40 129.08 1pk8 s VAL 268 Ca 0.01 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.38 1pk8 s VAL 268 Cb -0.14 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.76 1pk8 s VAL 268 CO -0.05 0.45 -0.10 -0.54 0.00 0.00 0.00 175.10 174.87 1pk8 s LYS 269 N 0.12 2.12 -0.11 2.72 1.02 -0.08 -1.21 119.74 124.31 1pk8 s LYS 269 Ca 0.13 -1.18 -0.23 0.00 0.02 0.00 0.00 55.97 54.71 1pk8 s LYS 269 Cb -0.12 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.41 1pk8 s LYS 269 CO 0.02 -0.54 0.72 -1.64 -0.92 0.00 0.00 175.35 172.99 1pk8 s MET 270 N 1.21 4.37 4.36 1.68 -1.94 -0.43 -1.39 119.30 127.17 1pk8 s MET 270 Ca -0.07 0.87 0.00 0.00 -1.71 0.00 0.00 55.69 54.79 1pk8 s MET 270 Cb -0.19 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.16 1pk8 s MET 270 CO -0.06 -0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.29 1pk8 n GLY 271 N 3.29 2.63 2.84 -0.03 0.00 -0.12 -4.40 105.19 109.40 1pk8 n GLY 271 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1pk8 n GLY 271 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pk8 s HIS 272 N 0.00 2.02 0.20 1.61 2.46 -1.26 -4.78 115.29 115.54 1pk8 s HIS 272 Ca 0.00 -1.67 -0.14 0.00 0.47 0.00 0.00 55.06 53.72 1pk8 s HIS 272 Cb 0.00 -1.62 0.01 0.00 -0.13 0.00 0.00 32.58 30.84 1pk8 s HIS 272 CO 0.00 -0.78 0.44 0.00 -2.47 0.00 0.00 174.74 171.92 1pk8 s ALA 273 N 1.52 -0.50 0.41 1.58 0.00 -1.26 -1.22 121.76 122.28 1pk8 s ALA 273 Ca 0.01 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1pk8 s ALA 273 Cb -0.18 0.89 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 1pk8 s ALA 273 CO -0.12 -0.76 0.05 -1.01 0.00 0.00 0.00 175.76 173.91 1pk8 s HIS 274 N -3.93 2.04 -1.50 0.00 0.09 -1.26 -4.79 115.29 105.93 1pk8 s HIS 274 Ca 0.14 -0.96 -0.10 0.00 -0.00 0.00 0.00 55.06 54.14 1pk8 s HIS 274 Cb 0.00 -1.46 0.07 0.00 -0.00 0.00 0.00 32.58 31.20 1pk8 s HIS 274 CO 0.00 0.11 0.83 0.43 -0.00 0.00 0.00 174.74 176.11 1pk8 n SER 275 N -1.03 -3.32 0.00 1.40 7.64 -1.26 -1.88 113.62 115.17 1pk8 n SER 275 Ca -0.08 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1pk8 n SER 275 Cb 0.66 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1pk8 n SER 275 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pk8 n GLY 276 N -1.66 2.48 3.76 0.23 0.00 -1.26 -4.96 105.19 103.78 1pk8 n GLY 276 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1pk8 n GLY 276 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pk8 s MET 277 N -0.19 4.10 0.00 1.61 -2.45 -0.79 -2.64 119.30 118.94 1pk8 s MET 277 Ca 0.00 2.60 0.00 0.00 -1.25 0.00 0.00 55.69 57.04 1pk8 s MET 277 Cb 0.00 -3.00 0.00 0.00 1.25 0.00 0.00 34.83 33.08 1pk8 s MET 277 CO 0.00 -0.62 0.00 0.41 1.05 0.00 0.00 175.02 175.86 1pk8 n GLY 278 N 1.60 0.40 3.47 2.11 0.00 -1.26 -4.56 105.19 106.95 1pk8 n GLY 278 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1pk8 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk8 s LYS 279 N -0.61 3.62 0.02 1.61 1.02 -1.08 -1.31 119.74 123.01 1pk8 s LYS 279 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1pk8 s LYS 279 Cb 0.00 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1pk8 s LYS 279 CO 0.00 0.22 -0.03 0.14 -0.92 0.00 0.00 175.35 174.76 1pk8 s VAL 280 N 0.41 0.10 -0.11 3.17 -7.23 -0.35 -4.99 120.40 111.40 1pk8 s VAL 280 Ca -0.05 -0.82 -0.18 0.00 -1.81 0.00 0.00 61.98 59.12 1pk8 s VAL 280 Cb -0.14 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1pk8 s VAL 280 CO 0.03 -0.45 0.46 -0.75 -0.31 0.00 0.00 175.10 174.09 1pk8 s LYS 281 N -1.32 4.31 -0.16 4.82 2.20 -1.26 -0.35 119.74 127.98 1pk8 s LYS 281 Ca -0.14 0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1pk8 s LYS 281 Cb -0.09 -3.42 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1pk8 s LYS 281 CO -0.01 0.21 -0.21 0.08 -0.36 0.00 0.00 175.35 175.06 1pk8 s VAL 282 N 0.47 2.04 -0.49 4.02 1.01 0.84 -4.97 120.40 123.32 1pk8 s VAL 282 Ca 0.25 -0.94 0.23 0.00 0.00 0.00 0.00 61.98 61.52 1pk8 s VAL 282 Cb -0.15 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1pk8 s VAL 282 CO 0.10 0.54 1.10 0.47 0.00 0.00 0.00 175.10 177.31 1pk8 n ASP 283 N 4.40 0.67 -3.85 3.32 8.00 -1.26 -0.98 116.55 126.84 1pk8 n ASP 283 Ca -0.20 0.05 -0.08 0.00 0.71 0.00 0.00 54.79 55.26 1pk8 n ASP 283 Cb 0.51 0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 42.12 1pk8 n ASP 283 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pk8 s ASN 284 N -4.43 -0.12 0.14 -2.24 2.20 -1.26 -4.53 114.94 104.69 1pk8 s ASN 284 Ca 0.03 -0.83 -0.25 0.00 -0.94 0.00 0.00 52.86 50.87 1pk8 s ASN 284 Cb 0.13 0.67 -0.01 0.00 -2.00 0.00 0.00 41.25 40.03 1pk8 s ASN 284 CO 0.78 -1.27 1.61 -0.61 -2.94 0.00 0.00 177.10 174.67 1pk8 h GLN 285 N 2.13 -0.36 -0.41 3.55 5.75 -1.96 -0.93 115.11 122.88 1pk8 h GLN 285 Ca -0.23 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.35 1pk8 h GLN 285 Cb 1.25 0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.83 1pk8 h GLN 285 CO 0.30 -0.24 0.11 0.45 -2.65 0.00 0.00 178.83 176.80 1pk8 h HIS 286 N -0.38 0.19 -0.67 3.99 3.86 -1.98 -1.04 115.15 119.13 1pk8 h HIS 286 Ca 0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1pk8 h HIS 286 Cb 0.54 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.96 1pk8 h HIS 286 CO -0.42 0.05 0.39 -0.44 0.86 0.00 0.00 177.93 178.37 1pk8 h ASP 287 N 0.25 0.80 -0.61 2.45 5.19 -1.90 -1.69 116.42 120.91 1pk8 h ASP 287 Ca 0.19 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1pk8 h ASP 287 Cb 0.21 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 1pk8 h ASP 287 CO -0.23 0.62 0.39 0.15 -3.12 0.00 0.00 179.24 177.05 1pk8 h PHE 288 N 0.92 0.79 -0.52 4.55 3.57 0.03 0.79 116.94 127.06 1pk8 h PHE 288 Ca 0.24 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1pk8 h PHE 288 Cb -0.03 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 1pk8 h PHE 288 CO 0.00 0.52 0.26 1.96 -2.23 0.00 0.00 178.31 178.82 1pk8 h GLN 289 N 0.83 0.74 -0.42 1.11 4.20 -0.54 0.29 115.11 121.31 1pk8 h GLN 289 Ca 0.22 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 1pk8 h GLN 289 Cb -0.06 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1pk8 h GLN 289 CO -0.05 0.60 0.20 -0.44 -0.67 0.00 0.00 178.83 178.47 1pk8 h ASP 290 N 0.69 0.55 0.35 1.46 3.32 -0.88 -0.94 116.42 120.97 1pk8 h ASP 290 Ca 0.18 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1pk8 h ASP 290 Cb 0.10 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1pk8 h ASP 290 CO -0.02 0.53 -0.34 0.40 -1.72 0.00 0.00 179.24 178.08 1pk8 h ILE 291 N 0.54 1.25 -0.28 0.35 1.08 -0.51 -2.00 117.51 117.93 1pk8 h ILE 291 Ca 0.14 -1.18 -0.14 0.00 -0.39 0.00 0.00 64.86 63.29 1pk8 h ILE 291 Cb 0.12 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1pk8 h ILE 291 CO -0.02 0.34 -0.38 0.00 -0.69 0.00 0.00 178.15 177.40 1pk8 h ALA 292 N 1.66 0.80 0.00 1.87 0.00 0.15 -2.16 119.26 121.57 1pk8 h ALA 292 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1pk8 h ALA 292 Cb 0.61 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1pk8 h ALA 292 CO 0.04 0.65 -0.12 0.66 0.00 0.00 0.00 179.25 180.49 1pk8 h SER 293 N 0.55 0.00 0.19 0.00 4.64 -0.47 -2.39 113.55 116.07 1pk8 h SER 293 Ca 0.05 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.06 1pk8 h SER 293 Cb 0.91 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1pk8 h SER 293 CO 0.08 0.12 -1.34 0.58 -0.87 0.00 0.00 176.83 175.40 1pk8 h VAL 294 N 0.00 1.29 -0.99 0.95 2.07 -0.98 -3.13 116.25 115.45 1pk8 h VAL 294 Ca -0.00 -2.57 0.16 0.00 0.82 0.00 0.00 66.70 65.11 1pk8 h VAL 294 Cb 0.49 2.88 -0.09 0.00 -1.52 0.00 0.00 31.29 33.05 1pk8 h VAL 294 CO 0.02 0.77 0.62 0.58 0.02 0.00 0.00 177.57 179.58 1pk8 h VAL 295 N 0.19 0.79 -0.90 2.57 2.07 -0.91 0.16 116.25 120.22 1pk8 h VAL 295 Ca -0.22 -0.28 0.15 0.00 0.82 0.00 0.00 66.70 67.17 1pk8 h VAL 295 Cb 2.03 -0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 1pk8 h VAL 295 CO 0.25 0.15 0.58 0.00 0.02 0.00 0.00 177.57 178.57 1pk8 h ALA 296 N 1.60 1.84 0.00 1.67 0.00 -1.41 0.46 119.26 123.42 1pk8 h ALA 296 Ca 0.54 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 1pk8 h ALA 296 Cb 0.76 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pk8 h ALA 296 CO -0.31 -0.08 -0.01 -0.07 0.00 0.00 0.00 179.25 178.77 1pk8 h LEU 297 N 0.69 0.00 -0.14 0.00 3.38 -0.74 -2.60 115.31 115.90 1pk8 h LEU 297 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1pk8 h LEU 297 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1pk8 h LEU 297 CO -0.21 0.01 0.00 0.71 0.09 0.00 0.00 178.44 179.04 1pk8 h THR 298 N 0.00 0.00 -6.21 0.22 1.35 -0.62 -3.47 112.91 104.18 1pk8 h THR 298 Ca -0.00 -0.76 -0.46 0.00 -0.55 0.00 0.00 66.41 64.64 1pk8 h THR 298 Cb 0.88 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 69.05 1pk8 h THR 298 CO 0.00 0.00 -0.76 0.29 -0.25 0.00 0.00 175.52 174.80 1pk8 n LYS 299 N -2.79 -5.70 -3.25 4.72 5.02 -0.92 -4.96 118.16 110.28 1pk8 n LYS 299 Ca 0.04 0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 56.86 1pk8 n LYS 299 Cb 0.47 -5.48 -0.02 0.00 -0.02 0.00 0.00 35.03 29.98 1pk8 n LYS 299 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1pk8 n THR 300 N -4.65 0.00 -1.91 -0.18 5.66 -1.26 -5.11 114.28 106.83 1pk8 n THR 300 Ca -0.02 -1.25 -0.30 0.00 -3.05 0.00 0.00 64.05 59.43 1pk8 n THR 300 Cb 0.56 0.77 0.19 0.00 -1.55 0.00 0.00 70.33 70.29 1pk8 n THR 300 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pk8 s TYR 301 N -3.54 1.60 0.15 1.09 -0.85 -1.22 -4.42 117.35 110.16 1pk8 s TYR 301 Ca 0.20 0.33 -0.24 0.00 -0.52 0.00 0.00 57.07 56.84 1pk8 s TYR 301 Cb -0.01 -4.09 0.06 0.00 0.38 0.00 0.00 41.96 38.30 1pk8 s TYR 301 CO 0.15 -2.66 0.78 0.00 -1.52 0.00 0.00 175.55 172.30 1pk8 s ALA 302 N -3.86 -1.56 0.13 9.51 0.00 -0.73 -0.94 121.76 124.30 1pk8 s ALA 302 Ca 0.74 0.30 0.04 0.00 0.00 0.00 0.00 51.96 53.03 1pk8 s ALA 302 Cb -0.04 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 1pk8 s ALA 302 CO 0.53 -0.89 -0.10 0.95 0.00 0.00 0.00 175.76 176.25 1pk8 s THR 303 N -3.54 1.07 0.03 0.00 -4.23 -0.49 -0.55 115.64 107.94 1pk8 s THR 303 Ca 0.07 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 1pk8 s THR 303 Cb -0.02 -1.76 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1pk8 s THR 303 CO -0.03 -0.74 -0.08 0.00 -0.54 0.00 0.00 174.62 173.23 1pk8 s ALA 304 N -3.24 0.64 0.01 3.99 0.00 -0.50 -0.90 121.76 121.75 1pk8 s ALA 304 Ca 0.14 -0.68 -0.22 0.00 0.00 0.00 0.00 51.96 51.20 1pk8 s ALA 304 Cb 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.17 1pk8 s ALA 304 CO -0.00 0.04 0.50 -1.83 0.00 0.00 0.00 175.76 174.46 1pk8 s GLU 305 N -1.26 0.95 0.29 0.00 -1.05 -0.87 -0.30 118.70 116.45 1pk8 s GLU 305 Ca -0.06 -0.13 -0.29 0.00 -0.15 0.00 0.00 54.97 54.34 1pk8 s GLU 305 Cb -0.08 0.43 -0.13 0.00 -0.44 0.00 0.00 34.13 33.91 1pk8 s GLU 305 CO 0.00 -0.31 1.30 -2.30 0.95 0.00 0.00 175.26 174.90 1pk8 n PRO 306 N 0.72 1.97 -2.55 -4.83 -0.02 -1.26 -0.20 135.00 128.83 1pk8 n PRO 306 Ca -0.19 0.70 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1pk8 n PRO 306 Cb 0.59 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1pk8 n PRO 306 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1pk8 s PHE 307 N -0.63 3.57 -0.23 6.00 5.36 -0.64 -4.62 117.98 126.79 1pk8 s PHE 307 Ca 0.62 1.52 -0.10 0.00 -0.96 0.00 0.00 56.93 58.00 1pk8 s PHE 307 Cb -0.63 -3.27 -0.05 0.00 -0.34 0.00 0.00 43.02 38.74 1pk8 s PHE 307 CO 0.56 -0.64 0.14 0.42 -1.46 0.00 0.00 175.22 174.25 1pk8 s ILE 308 N 0.74 5.32 -1.29 3.12 -1.09 -1.26 -4.88 121.20 121.86 1pk8 s ILE 308 Ca 0.54 0.16 -0.18 0.00 -2.23 0.00 0.00 60.65 58.94 1pk8 s ILE 308 Cb -0.26 -3.46 0.07 0.00 -1.58 0.00 0.00 42.46 37.22 1pk8 s ILE 308 CO 0.30 0.38 1.73 -0.62 -1.23 0.00 0.00 174.94 175.50 1pk8 s ASP 309 N 0.85 6.81 0.00 3.58 2.15 -1.26 -4.93 116.67 123.87 1pk8 s ASP 309 Ca 0.07 -2.41 -0.27 0.00 0.43 0.00 0.00 52.55 50.38 1pk8 s ASP 309 Cb -0.13 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 1pk8 s ASP 309 CO 0.03 -1.21 0.83 0.00 -0.17 0.00 0.00 175.17 174.65 1pk8 s ALA 310 N 4.34 3.28 0.19 3.66 0.00 -1.26 -1.42 121.76 130.56 1pk8 s ALA 310 Ca 0.54 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 1pk8 s ALA 310 Cb 0.04 -3.12 0.12 0.00 0.00 0.00 0.00 23.12 20.16 1pk8 s ALA 310 CO 0.08 -0.09 1.53 -0.22 0.00 0.00 0.00 175.76 177.06 1pk8 h LYS 311 N 6.34 0.65 -1.46 0.00 3.64 -0.59 -3.46 116.57 121.69 1pk8 h LYS 311 Ca -0.42 -0.36 0.32 0.00 -1.27 0.00 0.00 60.65 58.92 1pk8 h LYS 311 Cb 1.21 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.93 1pk8 h LYS 311 CO 0.74 0.97 0.82 1.52 -2.27 0.00 0.00 179.45 181.23 1pk8 s TYR 312 N -4.20 -0.05 0.21 1.91 -0.85 -1.19 -4.89 117.35 108.29 1pk8 s TYR 312 Ca -0.08 -0.05 0.09 0.00 -0.52 0.00 0.00 57.07 56.50 1pk8 s TYR 312 Cb 0.12 0.55 -0.05 0.00 0.38 0.00 0.00 41.96 42.96 1pk8 s TYR 312 CO 0.84 -0.28 -0.17 0.16 -1.52 0.00 0.00 175.55 174.58 1pk8 s ASP 313 N -2.94 2.82 0.12 -0.18 1.47 -0.86 -0.60 116.67 116.50 1pk8 s ASP 313 Ca 0.14 -0.97 0.05 0.00 1.18 0.00 0.00 52.55 52.95 1pk8 s ASP 313 Cb 0.04 -0.18 -0.04 0.00 -0.34 0.00 0.00 42.92 42.41 1pk8 s ASP 313 CO -0.04 -0.08 -0.13 0.68 0.68 0.00 0.00 175.17 176.28 1pk8 s VAL 314 N -2.57 1.26 -0.08 2.11 -7.23 0.10 -0.21 120.40 113.78 1pk8 s VAL 314 Ca 0.22 -1.71 -0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1pk8 s VAL 314 Cb -0.03 -1.50 0.02 0.00 0.56 0.00 0.00 36.38 35.43 1pk8 s VAL 314 CO 0.08 -0.44 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.78 1pk8 s ARG 315 N -2.70 1.11 -0.29 4.82 3.52 -0.37 -1.22 118.95 123.82 1pk8 s ARG 315 Ca 0.08 -0.11 -0.09 0.00 -0.13 0.00 0.00 55.73 55.48 1pk8 s ARG 315 Cb -0.04 -1.25 -0.02 0.00 -1.56 0.00 0.00 34.95 32.08 1pk8 s ARG 315 CO 0.02 -0.23 0.13 0.08 -0.81 0.00 0.00 175.30 174.49 1pk8 s VAL 316 N 1.61 4.61 0.21 7.11 1.01 0.11 -1.91 120.40 133.14 1pk8 s VAL 316 Ca 0.01 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1pk8 s VAL 316 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1pk8 s VAL 316 CO -0.05 0.19 0.05 0.00 0.00 0.00 0.00 175.10 175.29 1pk8 s GLN 317 N 1.64 2.54 -0.13 2.72 -2.07 -0.00 -0.23 119.66 124.13 1pk8 s GLN 317 Ca 0.06 -1.13 -0.04 0.00 -1.82 0.00 0.00 55.36 52.42 1pk8 s GLN 317 Cb -0.16 -2.39 0.06 0.00 -1.09 0.00 0.00 33.01 29.43 1pk8 s GLN 317 CO 0.06 0.43 0.20 0.21 -1.32 0.00 0.00 175.29 174.87 1pk8 s LYS 318 N -3.29 0.10 -0.29 9.60 2.20 0.32 -2.61 119.74 125.76 1pk8 s LYS 318 Ca 0.30 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 56.41 1pk8 s LYS 318 Cb -0.08 -0.57 0.08 0.00 -1.51 0.00 0.00 37.83 35.74 1pk8 s LYS 318 CO 0.21 -0.42 -0.04 0.42 -0.36 0.00 0.00 175.35 175.16 1pk8 s ILE 319 N 2.32 2.18 0.00 5.43 1.01 -0.56 -1.73 121.20 129.84 1pk8 s ILE 319 Ca 0.04 -1.92 0.00 0.00 0.00 0.00 0.00 60.65 58.76 1pk8 s ILE 319 Cb -0.13 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1pk8 s ILE 319 CO -0.08 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.19 1pk8 n GLY 320 N 4.37 3.35 0.63 6.18 0.00 -0.18 -1.11 105.19 118.42 1pk8 n GLY 320 Ca -0.06 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1pk8 n GLY 320 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pk8 n GLN 321 N 11.03 2.55 -3.82 1.61 1.13 -1.26 -4.98 117.38 123.65 1pk8 n GLN 321 Ca 0.00 -2.61 -0.35 0.00 -1.94 0.00 0.00 57.00 52.10 1pk8 n GLN 321 Cb 0.00 -1.65 -0.09 0.00 0.11 0.00 0.00 30.24 28.61 1pk8 n GLN 321 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1pk8 s ASN 322 N -1.97 5.93 0.05 1.08 3.84 -0.27 -5.09 114.94 118.50 1pk8 s ASN 322 Ca 0.35 0.13 0.08 0.00 0.21 0.00 0.00 52.86 53.64 1pk8 s ASN 322 Cb 0.28 -2.04 -0.03 0.00 -0.55 0.00 0.00 41.25 38.91 1pk8 s ASN 322 CO 0.08 0.15 -0.21 -0.31 -2.79 0.00 0.00 177.10 174.02 1pk8 s TYR 323 N 0.54 2.48 -0.00 0.43 1.51 -1.26 -1.50 117.35 119.55 1pk8 s TYR 323 Ca 0.06 -0.31 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 1pk8 s TYR 323 Cb -0.12 -1.43 0.01 0.00 -0.11 0.00 0.00 41.96 40.32 1pk8 s TYR 323 CO 0.00 0.23 0.24 0.15 -1.11 0.00 0.00 175.55 175.06 1pk8 s LYS 324 N -1.46 0.61 -0.04 -0.62 1.02 -1.07 -5.01 119.74 113.16 1pk8 s LYS 324 Ca 0.14 -0.30 0.02 0.00 0.02 0.00 0.00 55.97 55.85 1pk8 s LYS 324 Cb -0.10 0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.48 1pk8 s LYS 324 CO 0.05 -0.16 -0.08 0.00 -0.92 0.00 0.00 175.35 174.24 1pk8 s ALA 325 N -1.45 0.87 0.03 5.17 0.00 -1.26 -0.82 121.76 124.30 1pk8 s ALA 325 Ca -0.13 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.65 1pk8 s ALA 325 Cb -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1pk8 s ALA 325 CO 0.03 0.08 -0.19 0.71 0.00 0.00 0.00 175.76 176.39 1pk8 s TYR 326 N 0.56 1.64 -0.14 0.00 2.02 -0.80 -0.24 117.35 120.39 1pk8 s TYR 326 Ca -0.09 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1pk8 s TYR 326 Cb -0.12 -1.00 -0.02 0.00 -0.40 0.00 0.00 41.96 40.41 1pk8 s TYR 326 CO 0.01 0.05 -0.08 1.41 -1.57 0.00 0.00 175.55 175.37 1pk8 s MET 327 N -0.95 3.49 -0.08 -0.62 -2.45 0.07 -1.24 119.30 117.53 1pk8 s MET 327 Ca 0.06 -0.58 0.05 0.00 -1.25 0.00 0.00 55.69 53.97 1pk8 s MET 327 Cb -0.08 -2.78 -0.00 0.00 1.25 0.00 0.00 34.83 33.21 1pk8 s MET 327 CO 0.01 0.27 -0.23 0.50 1.05 0.00 0.00 175.02 176.61 1pk8 s ARG 328 N 0.26 2.66 -0.18 4.11 3.52 0.70 -1.02 118.95 129.00 1pk8 s ARG 328 Ca -0.05 -0.84 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 1pk8 s ARG 328 Cb -0.15 -2.12 0.04 0.00 -1.56 0.00 0.00 34.95 31.16 1pk8 s ARG 328 CO 0.04 0.26 -0.11 0.99 -0.81 0.00 0.00 175.30 175.67 1pk8 s THR 329 N 0.13 1.56 -0.10 4.11 2.01 0.14 -2.02 115.64 121.47 1pk8 s THR 329 Ca -0.11 -0.86 0.30 0.00 0.31 0.00 0.00 61.69 61.33 1pk8 s THR 329 Cb -0.16 -1.60 0.36 0.00 0.01 0.00 0.00 72.50 71.11 1pk8 s THR 329 CO 0.06 0.24 1.89 4.11 -0.69 0.00 0.00 174.62 180.23 1pk8 h TRP 335 N 8.01 0.00 -2.38 4.92 5.08 -2.02 0.61 115.95 130.16 1pk8 h TRP 335 Ca -0.30 0.00 -0.71 0.00 1.08 0.00 0.00 58.89 58.96 1pk8 h TRP 335 Cb 1.11 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 27.09 1pk8 h TRP 335 CO 0.49 0.00 0.95 0.15 -1.28 0.00 0.00 178.44 178.75 1pk8 s LYS 336 N -3.53 3.73 0.00 0.12 1.02 -1.26 -4.80 119.74 115.03 1pk8 s LYS 336 Ca 0.03 -2.01 0.01 0.00 0.02 0.00 0.00 55.97 54.02 1pk8 s LYS 336 Cb 0.09 -4.94 0.06 0.00 -0.52 0.00 0.00 37.83 32.51 1pk8 s LYS 336 CO 0.53 -1.76 0.57 0.25 -0.92 0.00 0.00 175.35 174.03 1pk8 n THR 337 N 5.21 0.07 0.09 2.17 -2.24 -1.26 0.83 114.28 119.15 1pk8 n THR 337 Ca 0.27 0.02 -0.14 0.00 -2.27 0.00 0.00 64.05 61.93 1pk8 n THR 337 Cb 0.47 -1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 1pk8 n THR 337 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1pk8 h ASN 338 N 0.00 0.34 -3.31 3.42 -0.73 -1.98 -3.45 115.58 109.86 1pk8 h ASN 338 Ca 0.00 -0.37 -0.64 0.00 1.87 0.00 0.00 56.30 57.16 1pk8 h ASN 338 Cb 0.00 -0.11 -0.21 0.00 0.27 0.00 0.00 38.32 38.27 1pk8 h ASN 338 CO 0.00 1.29 -0.67 -0.89 -0.37 0.00 0.00 177.43 176.79 1pk8 s THR 339 N -2.67 3.88 0.00 -3.57 2.01 0.24 -5.00 115.64 110.54 1pk8 s THR 339 Ca -0.03 -0.37 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1pk8 s THR 339 Cb 0.08 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.89 1pk8 s THR 339 CO 0.87 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.91 1pk8 n GLY 340 N 3.45 -3.26 3.74 4.40 0.00 -1.26 -4.83 105.19 107.43 1pk8 n GLY 340 Ca -0.17 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1pk8 n GLY 340 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pk8 s SER 341 N -1.24 6.75 0.12 1.61 1.04 -1.26 -5.02 113.70 115.70 1pk8 s SER 341 Ca 0.00 2.57 -0.11 0.00 0.48 0.00 0.00 55.95 58.89 1pk8 s SER 341 Cb 0.00 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.51 1pk8 s SER 341 CO 0.00 -0.63 0.27 0.00 0.98 0.00 0.00 173.24 173.87 1pk8 s ALA 342 N -0.03 -0.36 -0.11 5.32 0.00 -1.26 -5.08 121.76 120.24 1pk8 s ALA 342 Ca 0.58 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 1pk8 s ALA 342 Cb -0.40 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1pk8 s ALA 342 CO 0.42 -0.59 -0.04 -1.64 0.00 0.00 0.00 175.76 173.91 1pk8 s MET 343 N -3.88 3.23 -0.08 0.00 -1.94 0.20 -4.95 119.30 111.89 1pk8 s MET 343 Ca 0.08 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.58 1pk8 s MET 343 Cb 0.04 -2.79 -0.02 0.00 2.01 0.00 0.00 34.83 34.06 1pk8 s MET 343 CO -0.08 0.48 -0.12 -0.51 -0.01 0.00 0.00 175.02 174.78 1pk8 s LEU 344 N -0.29 2.82 -0.12 -0.03 1.43 -1.26 -0.68 118.68 120.54 1pk8 s LEU 344 Ca 0.05 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1pk8 s LEU 344 Cb -0.12 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.54 1pk8 s LEU 344 CO 0.02 0.30 0.01 -0.70 0.23 0.00 0.00 176.35 176.21 1pk8 s GLU 345 N -0.43 0.71 0.09 1.70 2.56 -0.19 -4.97 118.70 118.18 1pk8 s GLU 345 Ca 0.05 -0.14 -0.31 0.00 0.00 0.00 0.00 54.97 54.58 1pk8 s GLU 345 Cb -0.12 -1.49 -0.07 0.00 2.00 0.00 0.00 34.13 34.45 1pk8 s GLU 345 CO 0.02 -0.44 1.33 -1.14 -0.56 0.00 0.00 175.26 174.47 1pk8 s GLN 346 N 1.90 4.35 0.37 4.30 0.74 -1.26 -0.75 119.66 129.32 1pk8 s GLN 346 Ca 0.03 1.97 0.08 0.00 0.05 0.00 0.00 55.36 57.50 1pk8 s GLN 346 Cb -0.14 -3.29 -0.07 0.00 1.10 0.00 0.00 33.01 30.61 1pk8 s GLN 346 CO -0.07 -0.39 -0.04 0.96 -0.55 0.00 0.00 175.29 175.21 1pk8 s ILE 347 N 1.14 2.18 0.55 -2.34 -4.36 0.67 -4.92 121.20 114.12 1pk8 s ILE 347 Ca 0.63 -2.09 -0.20 0.00 -0.26 0.00 0.00 60.65 58.73 1pk8 s ILE 347 Cb -0.34 -2.81 -0.05 0.00 1.25 0.00 0.00 42.46 40.51 1pk8 s ILE 347 CO 0.30 -0.12 1.21 0.00 0.24 0.00 0.00 174.94 176.57 1pk8 s ALA 348 N -2.64 2.69 -0.07 2.27 0.00 -1.26 -4.05 121.76 118.70 1pk8 s ALA 348 Ca 0.34 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1pk8 s ALA 348 Cb 0.05 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1pk8 s ALA 348 CO 0.18 -1.03 0.83 -1.64 0.00 0.00 0.00 175.76 174.09 1pk8 s MET 349 N -3.15 4.44 0.31 0.00 1.00 -1.26 -4.87 119.30 115.79 1pk8 s MET 349 Ca 0.73 1.09 0.07 0.00 0.00 0.00 0.00 55.69 57.58 1pk8 s MET 349 Cb -0.30 -3.48 -0.02 0.00 0.00 0.00 0.00 34.83 31.03 1pk8 s MET 349 CO 0.34 -0.07 0.37 -1.54 0.00 0.00 0.00 175.02 174.13 1pk8 s SER 350 N 0.95 5.76 0.38 3.03 1.04 -1.26 -4.98 113.70 118.62 1pk8 s SER 350 Ca 0.43 -0.25 0.06 0.00 0.48 0.00 0.00 55.95 56.66 1pk8 s SER 350 Cb -0.18 -1.26 0.74 0.00 0.10 0.00 0.00 66.02 65.42 1pk8 s SER 350 CO 0.20 -0.32 1.98 0.44 0.98 0.00 0.00 173.24 176.52 1pk8 h ASP 351 N 1.10 0.49 0.08 7.02 3.32 -1.98 -1.35 116.42 125.10 1pk8 h ASP 351 Ca -0.47 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 56.55 1pk8 h ASP 351 Cb 1.25 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1pk8 h ASP 351 CO 0.56 0.45 -0.12 -0.09 -1.72 0.00 0.00 179.24 178.32 1pk8 h ARG 352 N 0.54 -0.24 -0.44 3.56 2.43 -1.96 0.65 114.38 118.93 1pk8 h ARG 352 Ca 0.14 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1pk8 h ARG 352 Cb 0.11 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1pk8 h ARG 352 CO -0.01 -0.16 0.26 1.88 -1.51 0.00 0.00 179.97 180.43 1pk8 h TYR 353 N -0.25 0.59 -0.89 2.20 0.05 -1.81 -2.54 116.97 114.32 1pk8 h TYR 353 Ca 0.02 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1pk8 h TYR 353 Cb 0.26 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.76 1pk8 h TYR 353 CO -0.14 0.42 0.58 -0.22 -1.05 0.00 0.00 178.16 177.75 1pk8 h LYS 354 N 0.58 1.17 -0.62 4.88 3.64 -1.00 -1.96 116.57 123.26 1pk8 h LYS 354 Ca 0.16 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1pk8 h LYS 354 Cb 0.01 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 1pk8 h LYS 354 CO -0.03 0.78 0.28 1.25 -2.27 0.00 0.00 179.45 179.46 1pk8 h LEU 355 N 1.20 0.82 -0.13 5.20 5.85 -0.54 0.11 115.31 127.82 1pk8 h LEU 355 Ca 0.32 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.92 1pk8 h LEU 355 Cb -0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 1pk8 h LEU 355 CO -0.07 0.73 0.00 -0.50 -0.34 0.00 0.00 178.44 178.27 1pk8 h TRP 356 N 0.85 0.00 0.04 1.25 6.55 -0.96 -2.00 115.95 121.67 1pk8 h TRP 356 Ca 0.21 0.01 -0.22 0.00 0.95 0.00 0.00 58.89 59.84 1pk8 h TRP 356 Cb 0.14 0.02 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 1pk8 h TRP 356 CO 0.00 -0.01 -1.00 -0.24 -1.05 0.00 0.00 178.44 176.14 1pk8 h VAL 357 N 0.05 1.52 -0.46 1.49 3.04 -1.33 -2.21 116.25 118.35 1pk8 h VAL 357 Ca 0.06 -2.85 -0.03 0.00 -1.01 0.00 0.00 66.70 62.87 1pk8 h VAL 357 Cb 0.07 2.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.98 1pk8 h VAL 357 CO -0.10 0.83 0.18 0.44 -1.01 0.00 0.00 177.57 177.91 1pk8 h ASP 358 N 0.09 0.64 -0.30 3.17 3.32 -0.72 0.20 116.42 122.82 1pk8 h ASP 358 Ca -0.07 -0.17 -0.17 0.00 0.02 0.00 0.00 57.03 56.64 1pk8 h ASP 358 Cb 1.68 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 1pk8 h ASP 358 CO 0.15 0.64 -0.49 0.71 -1.72 0.00 0.00 179.24 178.53 1pk8 h THR 359 N 0.60 1.28 -0.03 0.35 1.35 -1.42 -2.97 112.91 112.06 1pk8 h THR 359 Ca 0.15 -1.68 -0.07 0.00 -0.55 0.00 0.00 66.41 64.26 1pk8 h THR 359 Cb 0.20 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 1pk8 h THR 359 CO -0.01 0.55 -0.32 0.00 -0.25 0.00 0.00 175.52 175.49 1pk8 n SER 361 N -4.15 0.00 0.06 0.00 3.41 0.05 -2.54 113.62 110.45 1pk8 n SER 361 Ca -0.02 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.18 1pk8 n SER 361 Cb 0.37 -0.48 0.10 0.00 -0.26 0.00 0.00 64.21 63.94 1pk8 n SER 361 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pk8 n GLU 362 N -1.48 0.34 -1.26 4.33 1.02 -0.99 0.07 120.64 122.67 1pk8 n GLU 362 Ca 0.03 0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 1pk8 n GLU 362 Cb 0.12 -1.68 0.11 0.00 -0.02 0.00 0.00 31.44 29.97 1pk8 n GLU 362 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1pk8 s ILE 363 N -3.21 2.52 -1.55 -3.67 -4.36 -1.05 -2.64 121.20 107.24 1pk8 s ILE 363 Ca 0.04 0.22 -0.15 0.00 -0.26 0.00 0.00 60.65 60.50 1pk8 s ILE 363 Cb 0.13 -2.63 0.11 0.00 1.25 0.00 0.00 42.46 41.33 1pk8 s ILE 363 CO 0.75 -0.17 0.80 0.49 0.24 0.00 0.00 174.94 177.05 1pk8 n PHE 364 N -3.18 -1.97 -0.25 1.37 3.72 -1.26 -0.99 117.46 114.89 1pk8 n PHE 364 Ca 0.12 0.77 0.00 0.00 -0.05 0.00 0.00 57.45 58.29 1pk8 n PHE 364 Cb 0.51 -3.35 0.00 0.00 -0.94 0.00 0.00 39.48 35.70 1pk8 n PHE 364 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pk8 n GLY 365 N -1.46 1.52 0.00 1.37 0.00 -1.22 -4.34 105.19 101.06 1pk8 n GLY 365 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pk8 n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pk8 n GLY 366 N -2.00 3.60 3.30 -0.02 0.00 -0.16 -5.03 105.19 104.88 1pk8 n GLY 366 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1pk8 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk8 s LEU 367 N 0.00 2.75 0.17 0.99 1.43 0.11 -4.66 118.68 119.47 1pk8 s LEU 367 Ca 0.00 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 1pk8 s LEU 367 Cb 0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1pk8 s LEU 367 CO 0.00 0.03 1.38 0.44 0.23 0.00 0.00 176.35 178.43 1pk8 h ASP 368 N 7.76 0.03 -3.33 2.29 3.32 -1.91 -3.43 116.42 121.14 1pk8 h ASP 368 Ca -0.39 -0.03 -0.51 0.00 0.02 0.00 0.00 57.03 56.12 1pk8 h ASP 368 Cb 1.17 -0.01 -0.35 0.00 0.22 0.00 0.00 39.33 40.36 1pk8 h ASP 368 CO 0.60 0.90 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.58 1pk8 s ILE 369 N -3.02 1.08 0.03 0.35 1.01 -1.26 -1.01 121.20 118.38 1pk8 s ILE 369 Ca -0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 1pk8 s ILE 369 Cb 0.11 -1.03 0.10 0.00 0.01 0.00 0.00 42.46 41.65 1pk8 s ILE 369 CO 0.81 0.35 1.02 0.00 0.00 0.00 0.00 174.94 177.12 1pk8 s ALA 371 N -2.98 -1.22 -0.10 0.00 0.00 -0.93 -0.53 121.76 116.00 1pk8 s ALA 371 Ca 0.10 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 1pk8 s ALA 371 Cb -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1pk8 s ALA 371 CO -0.03 -0.30 -0.07 0.08 0.00 0.00 0.00 175.76 175.44 1pk8 s VAL 372 N -1.12 3.68 -0.11 0.00 1.01 0.68 -0.51 120.40 124.03 1pk8 s VAL 372 Ca -0.11 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 1pk8 s VAL 372 Cb -0.03 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1pk8 s VAL 372 CO 0.06 0.56 -0.04 -1.61 0.00 0.00 0.00 175.10 174.07 1pk8 s GLU 373 N -0.31 3.22 0.04 2.72 2.02 0.19 -0.71 118.70 125.86 1pk8 s GLU 373 Ca 0.04 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.53 1pk8 s GLU 373 Cb -0.13 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1pk8 s GLU 373 CO 0.02 0.48 -0.04 0.00 0.02 0.00 0.00 175.26 175.74 1pk8 s ALA 374 N -0.28 0.35 -0.12 5.21 0.00 -0.36 -0.34 121.76 126.22 1pk8 s ALA 374 Ca 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1pk8 s ALA 374 Cb -0.13 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 1pk8 s ALA 374 CO 0.02 -0.21 -0.06 -0.51 0.00 0.00 0.00 175.76 175.01 1pk8 s LEU 375 N -2.01 3.17 -0.35 0.00 1.43 0.11 -0.72 118.68 120.30 1pk8 s LEU 375 Ca -0.07 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1pk8 s LEU 375 Cb -0.04 -1.73 0.02 0.00 0.03 0.00 0.00 46.19 44.47 1pk8 s LEU 375 CO -0.04 0.23 0.17 -2.28 0.23 0.00 0.00 176.35 174.67 1pk8 s HIS 376 N -0.03 3.22 0.56 0.29 2.46 0.23 -0.72 115.29 121.29 1pk8 s HIS 376 Ca 0.00 -0.92 -0.16 0.00 0.47 0.00 0.00 55.06 54.45 1pk8 s HIS 376 Cb -0.13 -2.38 -0.06 0.00 -0.13 0.00 0.00 32.58 29.87 1pk8 s HIS 376 CO 0.03 -0.60 1.02 0.20 -2.47 0.00 0.00 174.74 172.91 1pk8 s GLY 377 N 1.55 2.05 0.66 1.59 0.00 0.00 0.09 107.32 113.25 1pk8 s GLY 377 Ca 0.02 0.23 0.40 0.00 0.00 0.00 0.00 44.72 45.38 1pk8 s GLY 377 CO 0.06 0.52 2.29 0.50 0.00 0.00 0.00 173.10 176.47 1pk8 h LYS 378 N 0.61 0.00 -0.10 2.90 1.57 -1.56 0.12 116.57 120.11 1pk8 h LYS 378 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1pk8 h LYS 378 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1pk8 h LYS 378 CO 0.60 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.08 1pk8 n ASP 379 N -3.19 0.78 0.00 0.86 5.75 -1.26 -4.90 116.55 114.58 1pk8 n ASP 379 Ca -0.03 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 53.05 1pk8 n ASP 379 Cb 0.13 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1pk8 n ASP 379 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pk8 n GLY 380 N 0.87 1.38 3.84 6.12 0.00 0.41 -5.05 105.19 112.76 1pk8 n GLY 380 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1pk8 n GLY 380 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pk8 s ARG 381 N -0.37 4.07 -0.01 1.61 0.52 -1.25 -4.83 118.95 118.69 1pk8 s ARG 381 Ca 0.00 0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 55.89 1pk8 s ARG 381 Cb 0.00 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 1pk8 s ARG 381 CO 0.00 0.28 0.09 -0.51 0.02 0.00 0.00 175.30 175.18 1pk8 s ASP 382 N -2.03 5.77 -0.20 0.23 1.01 -1.26 -0.82 116.67 119.37 1pk8 s ASP 382 Ca 0.49 0.18 -0.04 0.00 0.71 0.00 0.00 52.55 53.88 1pk8 s ASP 382 Cb -0.13 -1.68 0.07 0.00 1.01 0.00 0.00 42.92 42.19 1pk8 s ASP 382 CO 0.19 0.27 0.08 -1.00 0.21 0.00 0.00 175.17 174.92 1pk8 s HIS 383 N -1.21 0.57 0.02 4.23 3.76 0.10 -4.78 115.29 117.98 1pk8 s HIS 383 Ca 0.23 -0.64 -0.30 0.00 -0.15 0.00 0.00 55.06 54.20 1pk8 s HIS 383 Cb -0.12 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.64 1pk8 s HIS 383 CO 0.14 -0.60 1.22 0.42 -0.85 0.00 0.00 174.74 175.07 1pk8 s ILE 384 N 2.01 4.07 -0.13 0.60 1.01 0.13 0.05 121.20 128.95 1pk8 s ILE 384 Ca 0.02 1.46 0.02 0.00 0.00 0.00 0.00 60.65 62.15 1pk8 s ILE 384 Cb -0.16 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1pk8 s ILE 384 CO -0.13 0.07 0.17 2.30 0.00 0.00 0.00 174.94 177.35 1pk8 n ILE 385 N 4.20 0.00 -3.63 2.92 -5.35 0.54 -1.31 119.36 116.73 1pk8 n ILE 385 Ca 0.10 -0.46 -0.03 0.00 -0.27 0.00 0.00 62.75 62.09 1pk8 n ILE 385 Cb 0.46 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.34 1pk8 n ILE 385 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1pk8 s GLU 386 N -1.00 0.11 -0.10 6.28 2.12 -1.18 -4.99 118.70 119.94 1pk8 s GLU 386 Ca 0.01 -0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1pk8 s GLU 386 Cb 0.02 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.47 1pk8 s GLU 386 CO 0.07 -0.04 -0.14 0.54 -0.54 0.00 0.00 175.26 175.14 1pk8 s VAL 387 N -1.54 1.40 0.22 3.70 0.11 -1.26 0.52 120.40 123.55 1pk8 s VAL 387 Ca 0.09 -0.60 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1pk8 s VAL 387 Cb -0.01 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.52 1pk8 s VAL 387 CO -0.05 0.42 0.23 0.68 -3.33 0.00 0.00 175.10 173.04 1pk8 s VAL 388 N 0.90 4.72 0.00 2.04 -7.23 0.33 -4.94 120.40 116.22 1pk8 s VAL 388 Ca -0.09 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1pk8 s VAL 388 Cb -0.15 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1pk8 s VAL 388 CO 0.00 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 1pk8 n GLY 389 N -0.97 1.79 0.00 2.32 0.00 -1.26 -2.19 105.19 104.87 1pk8 n GLY 389 Ca -0.08 -1.79 0.07 0.00 0.00 0.00 0.00 46.02 44.22 1pk8 n GLY 389 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pk8 n SER 390 N 0.00 0.00 -1.49 1.61 3.41 -1.17 -2.15 113.62 113.84 1pk8 n SER 390 Ca 0.00 0.07 0.10 0.00 -0.26 0.00 0.00 58.87 58.78 1pk8 n SER 390 Cb 0.00 -0.28 0.34 0.00 -0.26 0.00 0.00 64.21 64.01 1pk8 n SER 390 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pk8 n SER 391 N -1.28 4.54 -4.77 4.04 3.41 -1.26 -4.38 113.62 113.92 1pk8 n SER 391 Ca 0.07 -2.37 -0.41 0.00 -0.26 0.00 0.00 58.87 55.89 1pk8 n SER 391 Cb 0.11 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.52 1pk8 n SER 391 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1pk8 n MET 392 N 1.13 2.67 -2.25 4.33 3.85 -0.91 -4.80 117.12 121.14 1pk8 n MET 392 Ca 0.25 0.94 -0.38 0.00 -1.00 0.00 0.00 57.70 57.51 1pk8 n MET 392 Cb 0.83 -2.67 -0.01 0.00 -1.05 0.00 0.00 33.22 30.31 1pk8 n MET 392 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1pk8 s PRO 393 N -2.01 3.88 0.08 3.17 0.04 -1.26 -4.99 135.00 133.92 1pk8 s PRO 393 Ca 0.54 1.83 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 1pk8 s PRO 393 Cb -0.48 -2.53 -0.06 0.00 0.04 0.00 0.00 34.50 31.46 1pk8 s PRO 393 CO 0.63 -0.46 0.73 -0.51 0.04 0.00 0.00 177.00 177.42 1pk8 s LEU 394 N -2.78 4.51 0.00 -3.56 1.43 -1.26 -5.05 118.68 111.96 1pk8 s LEU 394 Ca 0.61 1.46 0.05 0.00 -1.03 0.00 0.00 54.13 55.22 1pk8 s LEU 394 Cb -0.30 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1pk8 s LEU 394 CO 0.37 0.12 0.19 2.30 0.23 0.00 0.00 176.35 179.57 1pk8 n ILE 395 N 2.25 0.00 -4.61 -0.59 -5.35 -1.26 -5.01 119.36 104.78 1pk8 n ILE 395 Ca -0.05 -2.41 0.00 0.00 -0.27 0.00 0.00 62.75 60.02 1pk8 n ILE 395 Cb 0.50 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.38 1pk8 n ILE 395 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pk8 n GLY 396 N -0.77 -0.32 1.64 3.28 0.00 -1.26 -4.15 105.19 103.62 1pk8 n GLY 396 Ca -0.01 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1pk8 n GLY 396 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pk8 n ASP 397 N -1.75 4.90 -0.58 1.61 8.00 -1.26 -4.27 116.55 123.20 1pk8 n ASP 397 Ca 0.00 -2.58 0.06 0.00 0.71 0.00 0.00 54.79 52.99 1pk8 n ASP 397 Cb 0.00 -0.61 0.18 0.00 -0.02 0.00 0.00 41.12 40.68 1pk8 n ASP 397 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pk8 n HIS 398 N 0.92 0.00 -0.01 1.24 8.25 -1.26 -4.77 115.22 119.60 1pk8 n HIS 398 Ca 0.25 -1.34 0.01 0.00 -0.26 0.00 0.00 57.72 56.38 1pk8 n HIS 398 Cb 0.96 -0.23 0.32 0.00 1.12 0.00 0.00 29.99 32.17 1pk8 n HIS 398 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1pk8 h GLN 399 N 0.84 0.54 -0.23 -0.41 4.20 -1.74 0.20 115.11 118.50 1pk8 h GLN 399 Ca -0.02 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.43 1pk8 h GLN 399 Cb 1.06 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1pk8 h GLN 399 CO 0.01 0.51 -0.52 0.22 -0.67 0.00 0.00 178.83 178.38 1pk8 h ASP 400 N 0.53 0.86 -0.71 1.46 3.58 -1.94 -1.41 116.42 118.78 1pk8 h ASP 400 Ca 0.12 -0.56 -0.04 0.00 0.42 0.00 0.00 57.03 56.97 1pk8 h ASP 400 Cb 0.23 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 1pk8 h ASP 400 CO -0.00 1.25 0.28 -0.08 -2.88 0.00 0.00 179.24 177.81 1pk8 h GLU 401 N 0.49 1.06 -0.69 0.28 4.81 -1.79 -1.29 114.58 117.46 1pk8 h GLU 401 Ca 0.00 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1pk8 h GLU 401 Cb 1.13 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 1pk8 h GLU 401 CO 0.11 0.88 0.28 -0.44 -0.73 0.00 0.00 179.01 179.11 1pk8 h ASP 402 N 1.01 0.95 -0.68 1.04 3.32 -0.50 0.12 116.42 121.68 1pk8 h ASP 402 Ca 0.24 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1pk8 h ASP 402 Cb 0.22 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1pk8 h ASP 402 CO -0.02 0.86 0.40 0.11 -1.72 0.00 0.00 179.24 178.88 1pk8 h LYS 403 N 0.98 0.93 -0.47 3.56 1.57 -0.91 0.56 116.57 122.78 1pk8 h LYS 403 Ca 0.23 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1pk8 h LYS 403 Cb 0.21 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1pk8 h LYS 403 CO -0.02 0.67 0.10 1.96 -0.57 0.00 0.00 179.45 181.59 1pk8 h GLN 404 N 0.92 0.72 -0.37 3.15 4.20 -0.61 0.06 115.11 123.18 1pk8 h GLN 404 Ca 0.24 -0.14 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1pk8 h GLN 404 Cb -0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1pk8 h GLN 404 CO -0.04 0.66 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.50 1pk8 h LEU 405 N 0.70 0.73 -0.50 1.46 3.38 0.00 -1.49 115.31 119.59 1pk8 h LEU 405 Ca 0.15 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1pk8 h LEU 405 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1pk8 h LEU 405 CO -0.00 0.93 -0.07 0.40 0.09 0.00 0.00 178.44 179.79 1pk8 h ILE 406 N 0.64 1.27 -0.32 1.22 2.04 -0.13 -0.72 117.51 121.50 1pk8 h ILE 406 Ca 0.09 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1pk8 h ILE 406 Cb 0.70 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1pk8 h ILE 406 CO 0.05 0.42 0.21 0.58 0.00 0.00 0.00 178.15 179.41 1pk8 h VAL 407 N 0.80 1.09 -0.59 1.67 2.07 -0.77 0.86 116.25 121.39 1pk8 h VAL 407 Ca 0.13 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1pk8 h VAL 407 Cb 0.61 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1pk8 h VAL 407 CO 0.04 0.09 0.35 -0.33 0.02 0.00 0.00 177.57 177.73 1pk8 h GLU 408 N 0.43 0.65 -0.17 1.57 5.08 -1.05 0.19 114.58 121.29 1pk8 h GLU 408 Ca 0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1pk8 h GLU 408 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1pk8 h GLU 408 CO -0.02 0.43 0.11 1.25 -1.00 0.00 0.00 179.01 179.78 1pk8 h LEU 409 N 0.67 0.20 -0.34 1.33 5.85 -0.63 -0.82 115.31 121.58 1pk8 h LEU 409 Ca 0.24 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1pk8 h LEU 409 Cb 0.06 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1pk8 h LEU 409 CO -0.12 0.17 0.15 0.58 -0.34 0.00 0.00 178.44 178.88 1pk8 h VAL 410 N 0.22 1.17 -0.86 1.05 2.07 -0.41 -1.18 116.25 118.31 1pk8 h VAL 410 Ca 0.06 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1pk8 h VAL 410 Cb 0.00 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1pk8 h VAL 410 CO -0.01 0.18 0.54 0.58 0.02 0.00 0.00 177.57 178.87 1pk8 h VAL 411 N 0.41 1.23 -0.70 2.57 2.07 -0.83 0.25 116.25 121.24 1pk8 h VAL 411 Ca 0.11 -0.47 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 1pk8 h VAL 411 Cb 0.14 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1pk8 h VAL 411 CO -0.01 0.23 0.31 0.78 0.02 0.00 0.00 177.57 178.90 1pk8 h ASN 412 N 1.17 0.94 -0.27 0.57 2.35 -0.71 -1.47 115.58 118.17 1pk8 h ASN 412 Ca 0.31 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1pk8 h ASN 412 Cb -0.08 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 1pk8 h ASN 412 CO -0.06 0.83 -0.02 0.11 -1.65 0.00 0.00 177.43 176.64 1pk8 h LYS 413 N 0.99 0.48 -0.66 0.81 1.79 0.01 -3.01 116.57 116.98 1pk8 h LYS 413 Ca 0.24 -0.16 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1pk8 h LYS 413 Cb 0.16 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1pk8 h LYS 413 CO -0.03 0.66 0.29 0.52 -1.08 0.00 0.00 179.45 179.81 1pk8 h MET 414 N 0.25 0.96 -0.68 3.15 2.86 -0.48 -1.86 114.93 119.12 1pk8 h MET 414 Ca 0.07 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.65 1pk8 h MET 414 Cb 0.45 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1pk8 h MET 414 CO 0.02 0.76 0.45 1.15 1.06 0.00 0.00 176.91 180.35 1pk8 h THR 415 N 0.95 0.95 -1.85 2.22 2.02 -1.14 -2.81 112.91 113.24 1pk8 h THR 415 Ca 0.23 -0.21 -0.76 0.00 0.77 0.00 0.00 66.41 66.44 1pk8 h THR 415 Cb 0.15 0.30 -0.18 0.00 -1.74 0.00 0.00 68.15 66.67 1pk8 h THR 415 CO -0.02 0.11 1.65 0.00 0.37 0.00 0.00 175.52 177.62 1pk8 n GLN 416 N -4.48 3.72 0.00 6.66 6.02 -0.70 -5.01 117.38 123.59 1pk8 n GLN 416 Ca 0.11 -3.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.31 1pk8 n GLN 416 Cb 0.31 -2.86 0.00 0.00 1.02 0.00 0.00 30.24 28.70 1pk8 n GLN 416 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05