#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnx n LYS 121 N 0.00 0.08 0.05 3.69 4.01 -1.26 0.19 118.16 124.92 1xnx n LYS 121 Ca 0.00 0.18 0.11 0.00 -0.51 0.00 0.00 58.31 58.09 1xnx n LYS 121 Cb 0.00 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.05 1xnx n LYS 121 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 1xnx n GLU 122 N -1.21 0.42 0.20 1.97 0.00 -1.26 -3.27 120.64 117.48 1xnx n GLU 122 Ca 0.02 0.03 0.08 0.00 0.00 0.00 0.00 57.16 57.30 1xnx n GLU 122 Cb 0.03 -1.67 0.33 0.00 0.00 0.00 0.00 31.44 30.13 1xnx n GLU 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1xnx h LEU 123 N 0.00 0.00 -0.50 4.31 5.85 0.16 -1.63 115.31 123.50 1xnx h LEU 123 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xnx h LEU 123 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1xnx h LEU 123 CO 0.00 0.28 0.00 0.52 -0.34 0.00 0.00 178.44 178.90 1xnx n VAL 124 N -3.34 0.02 -0.05 1.05 0.31 -1.16 -1.59 118.33 113.58 1xnx n VAL 124 Ca 0.01 -0.14 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1xnx n VAL 124 Cb 0.51 0.01 -0.13 0.00 -0.91 0.00 0.00 33.84 33.32 1xnx n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xnx n GLN 125 N -0.37 1.03 -0.03 5.55 1.13 -0.67 -3.22 117.38 120.79 1xnx n GLN 125 Ca 0.20 -0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 55.05 1xnx n GLN 125 Cb 0.22 -1.40 -0.11 0.00 0.11 0.00 0.00 30.24 29.07 1xnx n GLN 125 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1xnx h ILE 126 N 0.00 1.48 -0.13 5.09 2.04 -1.11 -2.23 117.51 122.64 1xnx h ILE 126 Ca -0.23 -1.41 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 1xnx h ILE 126 Cb 1.43 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 39.93 1xnx h ILE 126 CO 0.01 0.37 0.07 -0.07 0.00 0.00 0.00 178.15 178.54 1xnx h LEU 127 N -0.58 0.16 -0.92 1.44 3.38 -1.48 -1.54 115.31 115.77 1xnx h LEU 127 Ca -0.00 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1xnx h LEU 127 Cb 0.61 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1xnx h LEU 127 CO 0.00 0.17 0.58 -0.07 0.09 0.00 0.00 178.44 179.22 1xnx h LEU 128 N 0.13 0.93 -0.58 1.67 -0.00 -1.60 -0.81 115.31 115.04 1xnx h LEU 128 Ca 0.05 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.84 1xnx h LEU 128 Cb 0.05 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 1xnx h LEU 128 CO -0.01 0.59 -0.47 1.23 -0.00 0.00 0.00 178.44 179.79 1xnx h GLY 129 N 1.06 0.00 0.48 0.83 0.00 -1.23 -2.44 103.07 101.77 1xnx h GLY 129 Ca 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 1xnx h GLY 129 CO -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.30 1xnx h ALA 130 N 1.53 0.04 -0.29 3.60 0.00 -0.47 -2.87 119.26 120.82 1xnx h ALA 130 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1xnx h ALA 130 Cb 1.12 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xnx h ALA 130 CO 0.06 -0.10 0.14 1.25 0.00 0.00 0.00 179.25 180.60 1xnx h HIS 131 N -0.47 0.41 -0.27 0.00 6.17 -1.21 -2.64 115.15 117.14 1xnx h HIS 131 Ca -0.00 -0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.02 1xnx h HIS 131 Cb 0.68 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.47 1xnx h HIS 131 CO 0.13 0.36 -0.00 1.79 0.71 0.00 0.00 177.93 180.92 1xnx h THR 132 N 0.33 1.17 -0.01 6.26 1.35 -1.53 0.73 112.91 121.21 1xnx h THR 132 Ca 0.10 -0.65 -0.17 0.00 -0.55 0.00 0.00 66.41 65.14 1xnx h THR 132 Cb 0.11 0.97 0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1xnx h THR 132 CO -0.01 0.22 -0.65 0.03 -0.25 0.00 0.00 175.52 174.86 1xnx h ARG 133 N 0.39 0.45 0.00 4.72 3.08 -1.32 -3.25 114.38 118.44 1xnx h ARG 133 Ca 0.09 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 1xnx h ARG 133 Cb 0.27 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1xnx h ARG 133 CO 0.01 1.13 -1.52 0.72 -1.07 0.00 0.00 179.97 179.24 1xnx n HIS 134 N -4.17 0.00 0.09 3.04 8.25 -1.01 -4.70 115.22 116.72 1xnx n HIS 134 Ca -0.10 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1xnx n HIS 134 Cb 0.69 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 1xnx n HIS 134 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xnx n VAL 135 N -1.91 0.00 0.42 1.59 0.31 0.05 -4.38 118.33 114.41 1xnx n VAL 135 Ca -0.03 -0.25 -0.16 0.00 -0.01 0.00 0.00 64.34 63.89 1xnx n VAL 135 Cb 0.32 0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 33.57 1xnx n VAL 135 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1xnx h GLY 136 N 2.06 -1.12 -0.44 2.92 0.00 -1.06 -2.90 103.07 102.53 1xnx h GLY 136 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1xnx h GLY 136 CO 0.00 -0.41 0.00 -1.55 0.00 0.00 0.00 176.54 174.58 1xnx n PRO 137 N -5.06 1.16 0.19 4.80 -0.04 -1.26 -4.16 135.00 130.62 1xnx n PRO 137 Ca -0.13 -0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 62.96 1xnx n PRO 137 Cb 0.42 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1xnx n PRO 137 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xnx h LEU 138 N 0.29 -1.47 -2.30 1.53 5.85 -1.71 -2.94 115.31 114.56 1xnx h LEU 138 Ca 0.00 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xnx h LEU 138 Cb 0.21 0.52 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 1xnx h LEU 138 CO 0.01 -0.60 -0.01 -0.26 -0.34 0.00 0.00 178.44 177.24 1xnx h PHE 139 N -0.86 0.00 0.00 1.25 -1.00 -1.78 -2.58 116.94 111.98 1xnx h PHE 139 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1xnx h PHE 139 Cb 0.80 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.36 1xnx h PHE 139 CO -0.36 0.01 0.00 -0.25 -1.61 0.00 0.00 178.31 176.10 1xnx n ASP 140 N -4.06 0.00 -0.14 2.17 10.43 -1.11 -3.31 116.55 120.54 1xnx n ASP 140 Ca -0.03 -1.32 0.05 0.00 2.57 0.00 0.00 54.79 56.07 1xnx n ASP 140 Cb 0.09 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.02 1xnx n ASP 140 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xnx n GLN 141 N -0.82 2.70 -0.20 -1.24 1.13 -0.97 -4.47 117.38 113.51 1xnx n GLN 141 Ca 0.15 -0.35 0.14 0.00 -1.94 0.00 0.00 57.00 55.00 1xnx n GLN 141 Cb 0.07 -1.06 0.46 0.00 0.11 0.00 0.00 30.24 29.81 1xnx n GLN 141 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1xnx h PHE 142 N 0.68 0.61 0.00 1.08 0.05 -1.70 0.56 116.94 118.22 1xnx h PHE 142 Ca 0.00 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1xnx h PHE 142 Cb 0.32 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 38.08 1xnx h PHE 142 CO 0.00 0.23 0.15 1.55 -0.18 0.00 0.00 178.31 180.06 1xnx n VAL 143 N -4.51 1.03 0.56 -0.55 3.14 -1.26 -0.98 118.33 115.77 1xnx n VAL 143 Ca 0.15 0.67 0.12 0.00 -2.96 0.00 0.00 64.34 62.32 1xnx n VAL 143 Cb 0.50 -1.67 0.25 0.00 -1.06 0.00 0.00 33.84 31.86 1xnx n VAL 143 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1xnx h GLN 144 N 0.00 0.00 -2.25 1.45 1.08 -0.18 -3.41 115.11 111.81 1xnx h GLN 144 Ca 0.00 0.00 -0.75 0.00 -1.45 0.00 0.00 58.65 56.45 1xnx h GLN 144 Cb 0.29 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 27.41 1xnx h GLN 144 CO 0.00 0.00 0.56 1.19 -0.95 0.00 0.00 178.83 179.63 1xnx n PHE 145 N -2.23 3.14 -4.09 2.96 3.01 -0.15 -4.93 117.46 115.17 1xnx n PHE 145 Ca 0.04 -2.96 -0.47 0.00 1.01 0.00 0.00 57.45 55.07 1xnx n PHE 145 Cb 0.44 -0.99 0.02 0.00 -0.01 0.00 0.00 39.48 38.94 1xnx n PHE 145 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xnx n LYS 146 N -0.13 -0.22 -2.73 -1.08 5.02 -1.26 -4.67 118.16 113.09 1xnx n LYS 146 Ca 0.43 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 56.37 1xnx n LYS 146 Cb 0.30 -2.44 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 1xnx n LYS 146 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xnx s PRO 147 N -7.46 4.60 0.30 1.97 0.04 -1.26 -4.71 135.00 128.47 1xnx s PRO 147 Ca 0.49 1.41 -0.28 0.00 0.04 0.00 0.00 61.00 62.66 1xnx s PRO 147 Cb -0.27 -3.43 -0.14 0.00 0.04 0.00 0.00 34.50 30.70 1xnx s PRO 147 CO 0.98 0.04 1.06 -2.30 0.04 0.00 0.00 177.00 176.82 1xnx n PRO 148 N 3.55 1.51 -0.34 0.56 -0.02 -1.26 -4.83 135.00 134.17 1xnx n PRO 148 Ca 0.05 0.53 0.25 0.00 -2.02 0.00 0.00 63.50 62.30 1xnx n PRO 148 Cb 0.50 -1.94 0.49 0.00 -0.02 0.00 0.00 33.50 32.53 1xnx n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xnx h ALA 149 N 2.09 2.02 0.00 3.55 0.00 -2.02 -1.13 119.26 123.77 1xnx h ALA 149 Ca -0.41 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xnx h ALA 149 Cb 1.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1xnx h ALA 149 CO 0.61 -0.63 0.00 0.10 0.00 0.00 0.00 179.25 179.33 1xnx h TYR 150 N 0.31 0.00 0.00 0.00 -0.00 -1.97 -1.40 116.97 113.91 1xnx h TYR 150 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.47 1xnx h TYR 150 Cb 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.47 1xnx h TYR 150 CO -0.01 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.43 1xnx n LEU 151 N -2.90 0.00 -0.00 0.10 4.77 -0.43 -2.16 117.00 116.38 1xnx n LEU 151 Ca -0.02 0.25 0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1xnx n LEU 151 Cb 0.10 -0.25 0.38 0.00 -2.33 0.00 0.00 43.42 41.32 1xnx n LEU 151 CO 0.19 -0.08 0.63 0.49 -1.33 0.00 0.00 177.39 177.29 1xnx n PHE 152 N -1.25 0.00 -4.23 -1.77 3.01 -0.53 0.06 117.46 112.76 1xnx n PHE 152 Ca 0.10 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.21 1xnx n PHE 152 Cb 0.15 -0.34 -0.09 0.00 -0.01 0.00 0.00 39.48 39.19 1xnx n PHE 152 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1xnx s MET 153 N -3.00 3.29 0.14 -1.08 -1.94 -0.92 -4.77 119.30 111.02 1xnx s MET 153 Ca 0.12 -0.36 0.20 0.00 -1.71 0.00 0.00 55.69 53.94 1xnx s MET 153 Cb 0.18 -2.94 -0.06 0.00 2.01 0.00 0.00 34.83 34.02 1xnx s MET 153 CO 0.64 0.61 0.96 1.12 -0.01 0.00 0.00 175.02 178.33 1xnx h HIS 154 N 5.52 0.00 -3.64 -0.03 2.07 -1.89 -3.44 115.15 113.74 1xnx h HIS 154 Ca -0.48 0.00 -0.63 0.00 -2.85 0.00 0.00 60.37 56.41 1xnx h HIS 154 Cb 1.19 0.00 -0.37 0.00 2.57 0.00 0.00 27.41 30.80 1xnx h HIS 154 CO 0.63 0.28 -0.80 -1.58 -3.07 0.00 0.00 177.93 173.39 1xnx s HIS 155 N -3.15 2.69 0.05 6.12 5.65 -1.26 -5.11 115.29 120.28 1xnx s HIS 155 Ca -0.01 -1.89 -0.24 0.00 0.25 0.00 0.00 55.06 53.16 1xnx s HIS 155 Cb 0.09 -1.72 0.06 0.00 -1.18 0.00 0.00 32.58 29.83 1xnx s HIS 155 CO 0.80 -0.80 0.58 -0.98 -0.65 0.00 0.00 174.74 173.68 1xnx s ARG 156 N 1.30 1.10 0.42 2.88 1.70 -1.26 -5.16 118.95 119.92 1xnx s ARG 156 Ca -0.05 -0.18 -0.24 0.00 -0.47 0.00 0.00 55.73 54.79 1xnx s ARG 156 Cb -0.18 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 1xnx s ARG 156 CO -0.07 -0.41 1.14 -1.25 -1.08 0.00 0.00 175.30 173.63 1xnx s PRO 157 N -2.47 3.99 -0.43 3.89 0.04 -1.26 -4.99 135.00 133.78 1xnx s PRO 157 Ca -0.05 1.73 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 1xnx s PRO 157 Cb -0.01 -2.56 0.02 0.00 0.04 0.00 0.00 34.50 32.00 1xnx s PRO 157 CO -0.02 -0.34 0.89 0.12 0.04 0.00 0.00 177.00 177.70 1xnx s PHE 158 N -1.52 2.99 -0.69 0.56 5.36 -1.26 -4.98 117.98 118.44 1xnx s PHE 158 Ca 0.59 0.47 0.05 0.00 -0.96 0.00 0.00 56.93 57.08 1xnx s PHE 158 Cb -0.28 -3.80 0.18 0.00 -0.34 0.00 0.00 43.02 38.78 1xnx s PHE 158 CO 0.34 -0.98 0.52 1.04 -1.46 0.00 0.00 175.22 174.68 1xnx n GLN 159 N 6.94 1.86 0.15 10.12 6.02 -1.26 -4.94 117.38 136.28 1xnx n GLN 159 Ca 0.06 -4.47 0.11 0.00 -0.01 0.00 0.00 57.00 52.68 1xnx n GLN 159 Cb 0.48 -2.27 0.54 0.00 1.02 0.00 0.00 30.24 30.02 1xnx n GLN 159 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1xnx n PRO 160 N 1.86 0.16 -0.00 -1.09 -0.04 -1.26 -1.35 135.00 133.27 1xnx n PRO 160 Ca 0.21 0.56 0.14 0.00 -0.04 0.00 0.00 63.50 64.37 1xnx n PRO 160 Cb 0.36 -1.92 0.70 0.00 -0.04 0.00 0.00 33.50 32.60 1xnx n PRO 160 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xnx n ARG 161 N -2.24 1.35 -1.62 0.54 1.74 -1.26 -4.89 116.66 110.29 1xnx n ARG 161 Ca -0.00 -0.51 -0.29 0.00 -0.77 0.00 0.00 57.85 56.27 1xnx n ARG 161 Cb 0.11 -1.47 0.10 0.00 -1.02 0.00 0.00 32.46 30.18 1xnx n ARG 161 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xnx s GLY 162 N -1.95 1.60 0.28 -0.13 0.00 -0.46 -4.97 107.32 101.69 1xnx s GLY 162 Ca 0.41 -0.40 -0.30 0.00 0.00 0.00 0.00 44.72 44.43 1xnx s GLY 162 CO 0.34 0.08 1.35 -1.05 0.00 0.00 0.00 173.10 173.82 1xnx n PRO 163 N -3.52 2.04 -0.08 2.90 -0.02 -1.26 -4.94 135.00 130.13 1xnx n PRO 163 Ca 0.07 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 1xnx n PRO 163 Cb 0.58 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 1xnx n PRO 163 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1xnx n VAL 164 N 1.25 0.95 -0.33 -1.45 0.24 -1.26 -4.71 118.33 113.02 1xnx n VAL 164 Ca 0.09 -0.30 0.15 0.00 -2.04 0.00 0.00 64.34 62.24 1xnx n VAL 164 Cb 0.33 -1.44 0.30 0.00 -1.47 0.00 0.00 33.84 31.56 1xnx n VAL 164 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1xnx h LEU 165 N -0.34 -0.37 -1.62 1.34 7.12 -1.97 0.39 115.31 119.85 1xnx h LEU 165 Ca -0.41 0.26 -0.03 0.00 0.13 0.00 0.00 57.88 57.83 1xnx h LEU 165 Cb 1.47 0.44 -0.01 0.00 -0.53 0.00 0.00 40.66 42.03 1xnx h LEU 165 CO -0.17 -0.33 -0.12 1.55 -0.13 0.00 0.00 178.44 179.25 1xnx h PRO 166 N 0.04 0.10 0.14 5.25 0.13 -1.99 -1.20 132.00 134.46 1xnx h PRO 166 Ca 0.60 -0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 65.43 1xnx h PRO 166 Cb 1.24 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1xnx h PRO 166 CO -0.86 0.22 -1.26 1.25 -0.23 0.00 0.00 178.00 177.12 1xnx h LEU 167 N 0.09 0.50 -0.89 1.56 5.85 -0.57 -2.76 115.31 119.09 1xnx h LEU 167 Ca 0.02 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1xnx h LEU 167 Cb 0.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1xnx h LEU 167 CO 0.02 1.40 0.32 -0.07 -0.34 0.00 0.00 178.44 179.77 1xnx h LEU 168 N 0.10 1.03 -0.70 2.25 3.38 -0.91 -1.89 115.31 118.56 1xnx h LEU 168 Ca -0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1xnx h LEU 168 Cb 1.97 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 1xnx h LEU 168 CO 0.21 0.90 0.40 0.74 0.09 0.00 0.00 178.44 180.79 1xnx h THR 169 N 1.10 1.21 0.66 0.22 2.02 -1.24 -1.98 112.91 114.90 1xnx h THR 169 Ca 0.26 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1xnx h THR 169 Cb 0.19 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1xnx h THR 169 CO -0.02 0.22 -0.32 -0.74 0.37 0.00 0.00 175.52 175.03 1xnx h HIS 170 N 0.96 -0.82 -0.70 3.16 -0.00 -1.14 -1.34 115.15 115.28 1xnx h HIS 170 Ca 0.25 -0.02 0.17 0.00 -0.00 0.00 0.00 60.37 60.77 1xnx h HIS 170 Cb 0.01 0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.65 1xnx h HIS 170 CO -0.01 -0.47 0.48 0.74 -0.00 0.00 0.00 177.93 178.67 1xnx h PHE 171 N -1.05 0.20 -0.07 5.26 0.04 -1.32 -0.27 116.94 119.73 1xnx h PHE 171 Ca -0.09 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.64 1xnx h PHE 171 Cb 0.72 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.80 1xnx h PHE 171 CO -0.01 0.07 -0.13 0.00 -0.60 0.00 0.00 178.31 177.65 1xnx h ALA 172 N 1.67 0.12 -0.48 2.45 0.00 -1.17 -1.27 119.26 120.57 1xnx h ALA 172 Ca 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xnx h ALA 172 Cb 1.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1xnx h ALA 172 CO -0.06 0.00 0.29 -0.44 0.00 0.00 0.00 179.25 179.04 1xnx h ASP 173 N -0.25 0.57 1.20 0.00 3.45 0.04 -2.09 116.42 119.36 1xnx h ASP 173 Ca 0.00 -0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.35 1xnx h ASP 173 Cb 0.70 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 1xnx h ASP 173 CO 0.03 0.46 -0.29 0.16 -1.57 0.00 0.00 179.24 178.03 1xnx h ILE 174 N 0.64 0.59 -0.37 0.35 3.07 -1.16 -1.32 117.51 119.31 1xnx h ILE 174 Ca 0.17 -1.45 -0.09 0.00 1.55 0.00 0.00 64.86 65.05 1xnx h ILE 174 Cb -0.01 1.99 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 1xnx h ILE 174 CO -0.03 0.28 -0.11 -1.13 -1.05 0.00 0.00 178.15 176.11 1xnx h ASN 175 N 0.00 0.73 0.45 2.16 -0.00 -0.96 -0.73 115.58 117.24 1xnx h ASN 175 Ca -0.00 -0.37 -0.02 0.00 -0.00 0.00 0.00 56.30 55.90 1xnx h ASN 175 Cb 0.97 -0.20 0.00 0.00 -0.00 0.00 0.00 38.32 39.09 1xnx h ASN 175 CO 0.04 0.94 -0.22 0.74 -0.00 0.00 0.00 177.43 178.93 1xnx h THR 176 N 0.52 0.55 -0.60 -3.57 2.02 -1.18 -2.13 112.91 108.52 1xnx h THR 176 Ca 0.09 -0.17 0.12 0.00 0.77 0.00 0.00 66.41 67.22 1xnx h THR 176 Cb 0.63 0.63 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 1xnx h THR 176 CO 0.04 0.03 0.05 0.15 0.37 0.00 0.00 175.52 176.16 1xnx h PHE 177 N -0.71 0.06 -0.39 3.16 -0.00 -1.19 -1.34 116.94 116.54 1xnx h PHE 177 Ca -0.06 0.04 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 1xnx h PHE 177 Cb 0.51 0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 36.51 1xnx h PHE 177 CO -0.02 -0.11 0.24 0.52 -0.00 0.00 0.00 178.31 178.94 1xnx h MET 178 N 0.17 0.52 -0.91 1.11 2.86 -1.05 -2.44 114.93 115.19 1xnx h MET 178 Ca 0.31 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.97 1xnx h MET 178 Cb 0.49 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 1xnx h MET 178 CO -0.47 0.37 0.58 0.28 1.06 0.00 0.00 176.91 178.73 1xnx h VAL 179 N 0.51 1.07 -0.86 -2.22 2.07 -0.61 -1.24 116.25 114.97 1xnx h VAL 179 Ca 0.14 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1xnx h VAL 179 Cb -0.02 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.63 1xnx h VAL 179 CO -0.03 0.19 0.45 1.56 0.02 0.00 0.00 177.57 179.77 1xnx h GLN 180 N 1.05 1.21 -0.05 1.57 4.20 -0.83 -1.16 115.11 121.11 1xnx h GLN 180 Ca 0.39 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.77 1xnx h GLN 180 Cb 0.15 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1xnx h GLN 180 CO -0.17 0.90 -0.75 1.96 -0.67 0.00 0.00 178.83 180.10 1xnx h GLN 181 N 1.21 0.32 0.00 1.46 1.08 -0.98 -0.84 115.11 117.36 1xnx h GLN 181 Ca 0.30 -0.27 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1xnx h GLN 181 Cb 0.06 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1xnx h GLN 181 CO -0.04 0.93 -0.28 0.82 -0.95 0.00 0.00 178.83 179.31 1xnx h ILE 182 N 0.21 0.90 -0.02 2.54 2.04 -0.92 0.33 117.51 122.59 1xnx h ILE 182 Ca -0.03 -1.06 -0.07 0.00 1.00 0.00 0.00 64.86 64.69 1xnx h ILE 182 Cb 1.33 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1xnx h ILE 182 CO 0.12 0.27 -0.26 0.40 0.00 0.00 0.00 178.15 178.68 1xnx h ILE 183 N 0.00 1.49 0.00 -0.67 2.04 -0.91 -2.01 117.51 117.45 1xnx h ILE 183 Ca -0.00 -1.83 -0.00 0.00 1.00 0.00 0.00 64.86 64.03 1xnx h ILE 183 Cb 0.60 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1xnx h ILE 183 CO 0.04 0.51 -0.02 0.11 0.00 0.00 0.00 178.15 178.79 1xnx h LYS 184 N -0.37 0.00 0.52 2.37 1.57 -0.63 0.13 116.57 120.16 1xnx h LYS 184 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1xnx h LYS 184 Cb 0.97 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.28 1xnx h LYS 184 CO 0.05 0.02 -0.25 0.35 -0.57 0.00 0.00 179.45 179.05 1xnx h PHE 185 N 0.00 -0.65 0.00 -1.35 3.57 -0.23 -3.10 116.94 115.17 1xnx h PHE 185 Ca -0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1xnx h PHE 185 Cb 0.03 0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1xnx h PHE 185 CO 0.00 -0.41 0.00 0.25 -2.23 0.00 0.00 178.31 175.92 1xnx n THR 186 N -4.68 1.00 1.81 4.41 -2.24 -0.77 -1.12 114.28 112.69 1xnx n THR 186 Ca -0.09 0.60 0.13 0.00 -2.27 0.00 0.00 64.05 62.43 1xnx n THR 186 Cb 0.28 -1.58 0.70 0.00 -2.10 0.00 0.00 70.33 67.62 1xnx n THR 186 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xnx n LYS 187 N -2.25 1.22 -0.05 -0.78 4.81 0.01 -2.99 118.16 118.13 1xnx n LYS 187 Ca -0.00 -0.32 0.05 0.00 -0.87 0.00 0.00 58.31 57.17 1xnx n LYS 187 Cb 0.09 -1.43 0.08 0.00 0.02 0.00 0.00 35.03 33.78 1xnx n LYS 187 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xnx n ASP 188 N -0.56 2.13 -4.25 3.14 9.92 -0.27 -4.91 116.55 121.76 1xnx n ASP 188 Ca 0.20 -2.58 -0.39 0.00 -0.53 0.00 0.00 54.79 51.48 1xnx n ASP 188 Cb 0.17 -0.24 -0.10 0.00 -0.64 0.00 0.00 41.12 40.31 1xnx n ASP 188 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xnx s LEU 189 N -2.00 5.05 0.15 0.64 1.43 -1.16 -4.95 118.68 117.84 1xnx s LEU 189 Ca 0.18 -1.54 -0.21 0.00 -1.03 0.00 0.00 54.13 51.53 1xnx s LEU 189 Cb 0.15 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.46 1xnx s LEU 189 CO 0.02 -0.51 1.64 1.55 0.23 0.00 0.00 176.35 179.28 1xnx h PRO 190 N 8.33 -0.18 -0.38 1.29 0.13 -1.90 0.27 132.00 139.55 1xnx h PRO 190 Ca -0.22 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.04 1xnx h PRO 190 Cb 1.08 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1xnx h PRO 190 CO 0.73 -0.12 0.62 -0.07 -0.23 0.00 0.00 178.00 178.93 1xnx h LEU 191 N -0.19 0.00 0.00 1.56 4.07 -1.93 -0.88 115.31 117.93 1xnx h LEU 191 Ca 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1xnx h LEU 191 Cb 0.41 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 1xnx h LEU 191 CO -0.37 0.00 -0.30 0.15 -1.08 0.00 0.00 178.44 176.84 1xnx h PHE 192 N 0.00 0.00 -0.85 1.13 3.57 -0.80 -3.37 116.94 116.63 1xnx h PHE 192 Ca 0.18 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.86 1xnx h PHE 192 Cb 1.43 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.11 1xnx h PHE 192 CO 0.00 0.15 0.56 0.00 -2.23 0.00 0.00 178.31 176.79 1xnx h ARG 193 N -1.00 0.44 -2.40 1.11 3.08 -0.78 -2.51 114.38 112.32 1xnx h ARG 193 Ca -0.02 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1xnx h ARG 193 Cb 0.36 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 1xnx h ARG 193 CO -0.01 0.29 -0.00 0.43 -1.07 0.00 0.00 179.97 179.61 1xnx n SER 194 N -4.51 2.95 -4.04 7.04 7.64 -0.39 -4.72 113.62 117.59 1xnx n SER 194 Ca 0.17 -2.03 -0.10 0.00 1.01 0.00 0.00 58.87 57.92 1xnx n SER 194 Cb 0.60 -0.79 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 1xnx n SER 194 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xnx s LEU 195 N 0.00 0.98 0.01 -3.43 1.43 -0.95 -4.98 118.68 111.75 1xnx s LEU 195 Ca 0.34 -1.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.10 1xnx s LEU 195 Cb 0.16 1.01 -0.06 0.00 0.03 0.00 0.00 46.19 47.33 1xnx s LEU 195 CO 0.00 -0.91 1.54 0.28 0.23 0.00 0.00 176.35 177.49 1xnx s THR 196 N -4.03 3.45 0.58 5.49 -1.32 -1.26 -4.87 115.64 113.68 1xnx s THR 196 Ca 0.24 0.80 0.29 0.00 -1.21 0.00 0.00 61.69 61.81 1xnx s THR 196 Cb 0.04 -3.51 0.41 0.00 -1.51 0.00 0.00 72.50 67.92 1xnx s THR 196 CO 0.05 -0.02 1.85 -0.03 -2.21 0.00 0.00 174.62 174.26 1xnx h MET 197 N 8.39 0.00 0.00 7.08 4.05 -1.96 0.56 114.93 133.05 1xnx h MET 197 Ca -0.40 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.98 1xnx h MET 197 Cb 1.18 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.98 1xnx h MET 197 CO 0.93 0.00 -0.20 1.49 0.23 0.00 0.00 176.91 179.35 1xnx h GLU 198 N 0.00 0.00 0.09 0.39 4.22 -1.98 -2.72 114.58 114.58 1xnx h GLU 198 Ca 0.29 0.00 -0.35 0.00 0.08 0.00 0.00 59.36 59.37 1xnx h GLU 198 Cb 1.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1xnx h GLU 198 CO -0.00 0.20 -1.98 -0.25 -2.18 0.00 0.00 179.01 174.80 1xnx n ASP 199 N -3.45 2.07 -0.04 1.04 10.43 0.19 -3.06 116.55 123.74 1xnx n ASP 199 Ca -0.00 0.20 -0.11 0.00 2.57 0.00 0.00 54.79 57.44 1xnx n ASP 199 Cb 0.38 -0.82 -0.05 0.00 1.84 0.00 0.00 41.12 42.47 1xnx n ASP 199 CO 0.00 0.00 0.00 1.56 -1.07 0.00 0.00 177.20 177.69 1xnx h GLN 200 N -0.13 -0.42 -0.06 -1.24 4.20 -1.33 0.92 115.11 117.05 1xnx h GLN 200 Ca -0.44 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.33 1xnx h GLN 200 Cb 1.90 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 29.72 1xnx h GLN 200 CO 0.01 -0.28 -0.31 0.82 -0.67 0.00 0.00 178.83 178.40 1xnx h ILE 201 N -0.43 0.31 0.09 2.54 1.08 -1.66 -0.37 117.51 119.07 1xnx h ILE 201 Ca 0.10 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.59 1xnx h ILE 201 Cb 0.61 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1xnx h ILE 201 CO -0.44 0.00 -0.28 -1.28 -0.69 0.00 0.00 178.15 175.46 1xnx h SER 202 N -0.43 -0.80 -0.23 1.72 0.87 -1.12 0.41 113.55 113.98 1xnx h SER 202 Ca 0.08 0.10 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1xnx h SER 202 Cb 0.54 0.31 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 1xnx h SER 202 CO -0.30 -0.36 -0.17 -0.07 -0.53 0.00 0.00 176.83 175.40 1xnx h LEU 203 N -0.47 -0.53 -1.68 2.23 3.38 0.10 -1.30 115.31 117.03 1xnx h LEU 203 Ca 0.04 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xnx h LEU 203 Cb 0.51 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1xnx h LEU 203 CO -0.18 -0.21 0.16 -0.07 0.09 0.00 0.00 178.44 178.24 1xnx h LEU 204 N -0.16 0.33 -2.29 1.67 3.38 -0.69 0.34 115.31 117.89 1xnx h LEU 204 Ca 0.13 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1xnx h LEU 204 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xnx h LEU 204 CO -0.32 0.26 0.19 0.11 0.09 0.00 0.00 178.44 178.77 1xnx h LYS 205 N 0.38 0.00 0.00 1.13 1.57 0.10 -2.64 116.57 117.11 1xnx h LYS 205 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xnx h LYS 205 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xnx h LYS 205 CO -0.02 0.00 -1.02 0.41 -0.57 0.00 0.00 179.45 178.26 1xnx n GLY 206 N -1.35 -0.01 0.08 3.86 0.00 -0.73 -4.80 105.19 102.23 1xnx n GLY 206 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xnx n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnx h ALA 207 N 0.02 -0.03 -0.27 4.61 0.00 -0.90 -3.38 119.26 119.32 1xnx h ALA 207 Ca -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.38 1xnx h ALA 207 Cb 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1xnx h ALA 207 CO 0.00 0.11 -0.16 0.00 0.00 0.00 0.00 179.25 179.21 1xnx n ALA 208 N -2.62 -0.17 0.26 0.00 0.00 -1.00 0.29 120.51 117.26 1xnx n ALA 208 Ca -0.11 0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1xnx n ALA 208 Cb 0.58 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1xnx n ALA 208 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xnx h VAL 209 N 0.00 0.00 -0.78 0.00 2.07 -1.84 -0.65 116.25 115.05 1xnx h VAL 209 Ca 0.04 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.75 1xnx h VAL 209 Cb 0.11 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.75 1xnx h VAL 209 CO -0.25 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.13 1xnx h GLU 210 N -0.92 0.17 0.49 1.57 5.08 -0.35 -0.28 114.58 120.34 1xnx h GLU 210 Ca -0.05 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1xnx h GLU 210 Cb 0.81 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1xnx h GLU 210 CO -0.08 0.12 -0.24 0.82 -1.00 0.00 0.00 179.01 178.63 1xnx h ILE 211 N 0.18 0.51 -0.78 3.13 2.04 -0.70 -2.75 117.51 119.14 1xnx h ILE 211 Ca 0.45 -0.06 0.19 0.00 1.00 0.00 0.00 64.86 66.44 1xnx h ILE 211 Cb 0.83 0.54 -0.15 0.00 -0.74 0.00 0.00 36.82 37.31 1xnx h ILE 211 CO -0.62 0.01 -0.05 -0.11 0.00 0.00 0.00 178.15 177.38 1xnx n LEU 212 N -5.36 -0.15 0.09 1.44 0.00 -0.15 0.11 117.00 112.97 1xnx n LEU 212 Ca -0.12 1.33 -0.06 0.00 0.00 0.00 0.00 56.01 57.16 1xnx n LEU 212 Cb 0.28 -0.46 0.09 0.00 0.00 0.00 0.00 43.42 43.34 1xnx n LEU 212 CO 0.36 -1.32 0.42 0.45 0.00 0.00 0.00 177.39 177.30 1xnx h HIS 213 N 0.00 0.28 -0.21 1.96 3.86 -1.30 0.25 115.15 119.99 1xnx h HIS 213 Ca 0.44 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.49 1xnx h HIS 213 Cb 0.84 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 1xnx h HIS 213 CO -0.46 0.82 -0.02 0.82 0.86 0.00 0.00 177.93 179.95 1xnx h ILE 214 N 0.15 1.27 -0.23 2.45 2.04 0.11 -0.93 117.51 122.36 1xnx h ILE 214 Ca -0.02 -0.94 -0.14 0.00 1.00 0.00 0.00 64.86 64.76 1xnx h ILE 214 Cb 1.22 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.76 1xnx h ILE 214 CO 0.10 0.29 -0.44 0.28 0.00 0.00 0.00 178.15 178.38 1xnx h SER 215 N 0.13 0.61 -0.16 1.72 0.02 -0.98 -2.87 113.55 112.02 1xnx h SER 215 Ca 0.06 -0.29 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1xnx h SER 215 Cb 0.44 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1xnx h SER 215 CO 0.01 0.97 -0.04 0.25 -1.14 0.00 0.00 176.83 176.89 1xnx h LEU 216 N 0.46 0.42 -1.97 5.07 6.46 -0.33 -2.96 115.31 122.47 1xnx h LEU 216 Ca 0.03 -0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1xnx h LEU 216 Cb 0.96 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1xnx h LEU 216 CO 0.09 0.52 0.38 -1.13 -0.62 0.00 0.00 178.44 177.68 1xnx h ASN 217 N 0.43 0.00 0.56 1.25 -1.24 -0.93 -0.83 115.58 114.82 1xnx h ASN 217 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 1xnx h ASN 217 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1xnx h ASN 217 CO 0.01 0.00 0.00 0.35 -1.29 0.00 0.00 177.43 176.50 1xnx n THR 218 N -3.23 0.47 0.64 -3.57 -2.24 -1.12 -2.04 114.28 103.19 1xnx n THR 218 Ca 0.02 0.12 0.08 0.00 -2.27 0.00 0.00 64.05 61.99 1xnx n THR 218 Cb 0.48 -0.77 0.07 0.00 -2.10 0.00 0.00 70.33 68.01 1xnx n THR 218 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xnx n THR 219 N -1.40 0.01 -2.93 4.28 -2.24 -0.32 -4.97 114.28 106.72 1xnx n THR 219 Ca 0.07 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 1xnx n THR 219 Cb 0.21 1.32 -0.04 0.00 -2.10 0.00 0.00 70.33 69.71 1xnx n THR 219 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xnx s PHE 220 N -1.30 3.57 -0.25 4.78 5.36 -0.87 -1.11 117.98 128.16 1xnx s PHE 220 Ca 0.19 1.37 -0.08 0.00 -0.96 0.00 0.00 56.93 57.44 1xnx s PHE 220 Cb 0.13 -2.92 -0.03 0.00 -0.34 0.00 0.00 43.02 39.85 1xnx s PHE 220 CO 0.20 0.01 0.09 0.00 -1.46 0.00 0.00 175.22 174.06 1xnx h LEU 222 N 8.15 0.00 0.14 0.00 5.85 -1.94 -0.72 115.31 126.79 1xnx h LEU 222 Ca -0.37 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1xnx h LEU 222 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1xnx h LEU 222 CO 0.58 0.10 -0.07 -0.61 -0.34 0.00 0.00 178.44 178.10 1xnx h GLN 223 N 0.00 -0.18 0.00 1.25 -0.00 -1.96 -3.35 115.11 110.87 1xnx h GLN 223 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1xnx h GLN 223 Cb 0.42 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.94 1xnx h GLN 223 CO 0.01 0.27 -0.72 0.25 0.00 0.00 0.00 178.83 178.64 1xnx n THR 224 N -4.88 0.16 -1.19 2.39 -2.24 -1.24 -4.95 114.28 102.32 1xnx n THR 224 Ca -0.07 -0.16 -0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1xnx n THR 224 Cb 0.26 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1xnx n THR 224 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xnx n GLU 225 N -1.82 -1.15 -2.75 -0.78 1.02 -0.28 -5.00 120.64 109.89 1xnx n GLU 225 Ca 0.04 0.64 -0.22 0.00 -0.02 0.00 0.00 57.16 57.60 1xnx n GLU 225 Cb 0.40 -4.67 0.03 0.00 -0.02 0.00 0.00 31.44 27.17 1xnx n GLU 225 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xnx s ASN 226 N -2.40 5.45 -0.18 1.62 0.01 -1.24 -4.70 114.94 113.50 1xnx s ASN 226 Ca 0.00 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1xnx s ASN 226 Cb 0.00 -1.08 0.01 0.00 0.41 0.00 0.00 41.25 40.59 1xnx s ASN 226 CO 0.00 -1.00 -0.17 -0.36 -1.51 0.00 0.00 177.10 174.06 1xnx s PHE 227 N -2.70 2.80 -0.52 2.20 0.40 -0.16 -2.19 117.98 117.81 1xnx s PHE 227 Ca 0.54 -1.40 -0.16 0.00 -0.60 0.00 0.00 56.93 55.32 1xnx s PHE 227 Cb -0.10 -1.94 0.12 0.00 0.51 0.00 0.00 43.02 41.61 1xnx s PHE 227 CO 0.38 -0.69 0.47 -0.06 0.70 0.00 0.00 175.22 176.02 1xnx s PHE 228 N 1.20 3.26 -0.35 0.36 0.40 -0.27 -0.83 117.98 121.74 1xnx s PHE 228 Ca 0.02 -1.23 -0.02 0.00 -0.60 0.00 0.00 56.93 55.11 1xnx s PHE 228 Cb -0.14 -3.63 0.08 0.00 0.51 0.00 0.00 43.02 39.84 1xnx s PHE 228 CO -0.08 -0.97 0.10 0.00 0.70 0.00 0.00 175.22 174.97 1xnx n GLY 230 N 4.57 2.32 0.00 0.00 0.00 -1.24 -1.49 105.19 109.35 1xnx n GLY 230 Ca -0.06 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.57 1xnx n GLY 230 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xnx n PRO 231 N 11.45 0.05 -2.71 1.61 -0.04 -1.26 -4.86 135.00 139.23 1xnx n PRO 231 Ca 0.00 0.15 -0.33 0.00 -0.04 0.00 0.00 63.50 63.28 1xnx n PRO 231 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 1xnx n PRO 231 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xnx s LEU 232 N -2.93 3.92 -0.29 1.53 1.02 -0.56 -4.69 118.68 116.67 1xnx s LEU 232 Ca 0.11 1.79 -0.00 0.00 0.02 0.00 0.00 54.13 56.04 1xnx s LEU 232 Cb 0.13 -4.53 0.09 0.00 0.02 0.00 0.00 46.19 41.90 1xnx s LEU 232 CO 0.35 -0.51 0.07 0.00 0.02 0.00 0.00 176.35 176.28 1xnx s TYR 234 N 1.56 3.69 0.24 0.00 1.51 -0.01 -4.79 117.35 119.53 1xnx s TYR 234 Ca 0.07 0.94 0.10 0.00 -1.01 0.00 0.00 57.07 57.17 1xnx s TYR 234 Cb -0.18 -2.31 -0.05 0.00 -0.11 0.00 0.00 41.96 39.32 1xnx s TYR 234 CO -0.19 0.58 -0.17 0.15 -1.11 0.00 0.00 175.55 174.80 1xnx s LYS 235 N -0.81 1.48 0.24 -0.62 1.02 -1.26 -0.99 119.74 118.79 1xnx s LYS 235 Ca 0.23 -1.66 -0.06 0.00 0.02 0.00 0.00 55.97 54.50 1xnx s LYS 235 Cb -0.16 -1.40 0.25 0.00 -0.52 0.00 0.00 37.83 36.00 1xnx s LYS 235 CO 0.12 0.25 1.88 0.52 -0.92 0.00 0.00 175.35 177.20 1xnx h MET 236 N 2.45 1.25 -1.06 1.68 2.86 -1.99 -1.08 114.93 119.04 1xnx h MET 236 Ca -0.39 -0.13 0.34 0.00 -2.06 0.00 0.00 59.70 57.47 1xnx h MET 236 Cb 1.24 -0.26 -0.14 0.00 0.06 0.00 0.00 31.60 32.50 1xnx h MET 236 CO 0.61 0.89 0.63 0.93 1.06 0.00 0.00 176.91 181.03 1xnx h GLU 237 N 1.27 0.26 -0.47 1.72 3.07 -1.98 0.47 114.58 118.92 1xnx h GLU 237 Ca 0.33 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.12 1xnx h GLU 237 Cb -0.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1xnx h GLU 237 CO -0.06 0.17 0.11 -0.44 -1.40 0.00 0.00 179.01 177.39 1xnx h ASP 238 N 0.26 0.71 0.34 1.42 3.45 -1.60 0.29 116.42 121.30 1xnx h ASP 238 Ca 0.75 -0.24 -0.11 0.00 0.43 0.00 0.00 57.03 57.86 1xnx h ASP 238 Cb 1.87 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 40.44 1xnx h ASP 238 CO -0.55 0.77 -0.46 0.00 -1.57 0.00 0.00 179.24 177.42 1xnx h ALA 239 N 0.97 1.12 -0.21 3.45 0.00 -0.20 -0.07 119.26 124.31 1xnx h ALA 239 Ca 0.15 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1xnx h ALA 239 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xnx h ALA 239 CO 0.00 0.61 0.01 0.28 0.00 0.00 0.00 179.25 180.16 1xnx h VAL 240 N 0.12 1.24 -0.64 0.00 2.07 -0.25 -0.99 116.25 117.80 1xnx h VAL 240 Ca 0.01 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.62 1xnx h VAL 240 Cb 0.86 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1xnx h VAL 240 CO 0.07 0.25 0.07 -0.74 0.02 0.00 0.00 177.57 177.24 1xnx h HIS 241 N 0.14 1.16 0.00 1.57 6.17 -0.17 -0.75 115.15 123.27 1xnx h HIS 241 Ca 0.06 -0.18 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1xnx h HIS 241 Cb 0.37 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1xnx h HIS 241 CO 0.03 0.99 0.17 0.00 0.71 0.00 0.00 177.93 179.83 1xnx h ALA 242 N 1.02 1.14 0.00 5.26 0.00 -0.84 -3.45 119.26 122.40 1xnx h ALA 242 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xnx h ALA 242 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xnx h ALA 242 CO 0.02 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1xnx n GLY 243 N -1.23 0.99 3.82 0.00 0.00 -0.29 -4.94 105.19 103.56 1xnx n GLY 243 Ca -0.02 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1xnx n GLY 243 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xnx s PHE 244 N -2.00 3.21 0.09 1.61 0.40 -0.41 -5.02 117.98 115.86 1xnx s PHE 244 Ca 0.00 1.45 -0.20 0.00 -0.60 0.00 0.00 56.93 57.57 1xnx s PHE 244 Cb 0.00 -2.89 -0.07 0.00 0.51 0.00 0.00 43.02 40.57 1xnx s PHE 244 CO 0.00 -0.93 0.61 -0.65 0.70 0.00 0.00 175.22 174.95 1xnx s GLN 245 N -4.49 4.27 0.00 0.44 -0.21 -1.26 -4.62 119.66 113.79 1xnx s GLN 245 Ca 0.60 0.81 0.00 0.00 0.02 0.00 0.00 55.36 56.79 1xnx s GLN 245 Cb -0.13 -3.24 0.00 0.00 1.00 0.00 0.00 33.01 30.63 1xnx s GLN 245 CO 0.43 0.63 0.31 0.66 -2.12 0.00 0.00 175.29 175.19 1xnx n TYR 246 N 1.71 0.00 -0.20 0.91 0.53 -1.26 -1.59 117.16 117.25 1xnx n TYR 246 Ca -0.10 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 56.85 1xnx n TYR 246 Cb 0.50 0.00 0.13 0.00 -1.03 0.00 0.00 39.34 38.94 1xnx n TYR 246 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 1xnx n GLU 247 N -0.72 -0.05 0.45 -0.72 -0.58 -1.26 0.10 120.64 117.87 1xnx n GLU 247 Ca 0.00 0.87 -0.20 0.00 -0.42 0.00 0.00 57.16 57.41 1xnx n GLU 247 Cb 0.00 -1.35 -0.10 0.00 -0.57 0.00 0.00 31.44 29.43 1xnx n GLU 247 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1xnx h PHE 248 N 0.00 -1.30 -0.57 -0.32 3.57 -1.71 -0.83 116.94 115.77 1xnx h PHE 248 Ca 0.31 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.91 1xnx h PHE 248 Cb 0.58 0.46 -0.09 0.00 2.79 0.00 0.00 35.95 39.70 1xnx h PHE 248 CO -0.35 -0.74 0.09 -0.07 -2.23 0.00 0.00 178.31 175.00 1xnx h LEU 249 N -1.24 -0.06 -0.75 0.59 3.38 0.13 -0.60 115.31 116.77 1xnx h LEU 249 Ca -0.11 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.14 1xnx h LEU 249 Cb 0.98 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 1xnx h LEU 249 CO 0.13 -0.02 0.20 -0.08 0.09 0.00 0.00 178.44 178.76 1xnx h GLU 250 N 0.22 0.28 -0.10 1.13 4.81 0.13 0.31 114.58 121.36 1xnx h GLU 250 Ca 0.30 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1xnx h GLU 250 Cb 0.45 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1xnx h GLU 250 CO -0.41 0.18 0.04 0.77 -0.73 0.00 0.00 179.01 178.86 1xnx h SER 251 N 0.29 0.14 -0.36 1.04 0.02 0.33 -0.79 113.55 114.21 1xnx h SER 251 Ca 0.43 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 61.27 1xnx h SER 251 Cb 0.73 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.18 1xnx h SER 251 CO -0.51 0.27 0.01 0.40 -1.14 0.00 0.00 176.83 175.87 1xnx h ILE 252 N 0.01 0.74 -0.45 3.27 1.08 0.08 0.16 117.51 122.40 1xnx h ILE 252 Ca 0.03 -0.04 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 1xnx h ILE 252 Cb 0.17 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 1xnx h ILE 252 CO -0.00 0.02 0.13 0.25 -0.69 0.00 0.00 178.15 177.86 1xnx h LEU 253 N 0.12 0.65 -0.98 1.44 5.85 -0.42 -1.79 115.31 120.17 1xnx h LEU 253 Ca 0.18 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1xnx h LEU 253 Cb 0.24 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1xnx h LEU 253 CO -0.29 0.69 0.53 -0.74 -0.34 0.00 0.00 178.44 178.29 1xnx h HIS 254 N 0.58 1.20 0.43 1.25 2.76 -0.60 0.61 115.15 121.38 1xnx h HIS 254 Ca 0.14 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1xnx h HIS 254 Cb 0.28 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.85 1xnx h HIS 254 CO 0.01 0.81 -0.21 0.35 -1.30 0.00 0.00 177.93 177.59 1xnx h PHE 255 N 1.25 -0.54 0.00 5.26 3.57 -0.42 -1.70 116.94 124.37 1xnx h PHE 255 Ca 0.32 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 1xnx h PHE 255 Cb -0.03 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1xnx h PHE 255 CO 0.01 -0.31 -0.23 0.45 -2.23 0.00 0.00 178.31 176.00 1xnx h HIS 256 N -0.62 0.00 0.05 0.41 3.86 -1.00 -0.43 115.15 117.43 1xnx h HIS 256 Ca -0.06 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1xnx h HIS 256 Cb 0.46 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.93 1xnx h HIS 256 CO -0.04 0.23 -0.03 0.87 0.86 0.00 0.00 177.93 179.82 1xnx h LYS 257 N 0.00 -0.07 0.32 2.45 1.57 -0.77 -2.55 116.57 117.51 1xnx h LYS 257 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xnx h LYS 257 Cb 0.40 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1xnx h LYS 257 CO 0.03 0.50 -0.34 -0.91 -0.57 0.00 0.00 179.45 178.16 1xnx h ASN 258 N -0.72 -0.93 -0.54 0.86 4.21 -1.14 -2.08 115.58 115.24 1xnx h ASN 258 Ca -0.01 0.08 0.04 0.00 1.21 0.00 0.00 56.30 57.63 1xnx h ASN 258 Cb 0.61 0.32 -0.04 0.00 -1.12 0.00 0.00 38.32 38.08 1xnx h ASN 258 CO 0.01 -0.47 0.29 0.25 -1.29 0.00 0.00 177.43 176.22 1xnx h LEU 259 N -0.69 0.42 -1.45 1.61 5.85 -1.20 -2.09 115.31 117.76 1xnx h LEU 259 Ca -0.02 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1xnx h LEU 259 Cb 0.64 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1xnx h LEU 259 CO -0.08 0.29 0.40 0.50 -0.34 0.00 0.00 178.44 179.21 1xnx h LYS 260 N 0.55 0.70 0.00 1.25 1.63 -1.33 -2.29 116.57 117.08 1xnx h LYS 260 Ca 0.24 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1xnx h LYS 260 Cb 0.12 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1xnx h LYS 260 CO -0.15 0.46 0.00 0.41 -3.45 0.00 0.00 179.45 176.72 1xnx n GLY 261 N -1.46 -0.50 0.84 5.01 0.00 -0.79 -2.72 105.19 105.57 1xnx n GLY 261 Ca 0.07 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1xnx n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnx n LEU 262 N -0.61 2.90 -3.76 0.99 4.77 -0.86 -5.01 117.00 115.42 1xnx n LEU 262 Ca 0.03 -1.41 -0.34 0.00 -0.03 0.00 0.00 56.01 54.26 1xnx n LEU 262 Cb 0.01 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1xnx n LEU 262 CO 0.02 0.62 -0.09 1.41 -1.33 0.00 0.00 177.39 178.01 1xnx n HIS 263 N 1.06 -1.81 -3.18 -1.77 8.25 -1.10 -4.92 115.22 111.73 1xnx n HIS 263 Ca 0.14 0.40 -0.25 0.00 -0.26 0.00 0.00 57.72 57.75 1xnx n HIS 263 Cb 0.48 -3.35 -0.01 0.00 1.12 0.00 0.00 29.99 28.24 1xnx n HIS 263 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xnx s LEU 264 N -6.65 3.91 0.43 2.41 1.43 -1.26 -4.90 118.68 114.05 1xnx s LEU 264 Ca 0.46 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 54.18 1xnx s LEU 264 Cb -0.18 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1xnx s LEU 264 CO 0.88 -0.37 0.05 -1.10 0.23 0.00 0.00 176.35 176.05 1xnx s GLN 265 N -4.40 1.97 0.22 1.70 -0.21 -1.26 -5.02 119.66 112.66 1xnx s GLN 265 Ca 0.42 -2.19 -0.17 0.00 0.02 0.00 0.00 55.36 53.43 1xnx s GLN 265 Cb -0.10 -1.16 0.22 0.00 1.00 0.00 0.00 33.01 32.97 1xnx s GLN 265 CO 0.38 -0.31 1.49 0.39 -2.12 0.00 0.00 175.29 175.13 1xnx n GLU 266 N -1.00 -0.23 -0.30 2.91 1.02 -1.26 -1.52 120.64 120.26 1xnx n GLU 266 Ca -0.10 1.48 0.13 0.00 -0.02 0.00 0.00 57.16 58.65 1xnx n GLU 266 Cb 0.66 -2.19 0.28 0.00 -0.02 0.00 0.00 31.44 30.17 1xnx n GLU 266 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1xnx h PRO 267 N 0.00 0.18 0.00 3.49 0.11 -1.96 0.43 132.00 134.25 1xnx h PRO 267 Ca 0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1xnx h PRO 267 Cb 0.57 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1xnx h PRO 267 CO -0.95 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 177.34 1xnx n GLU 268 N -5.25 0.08 -0.05 1.05 4.71 -0.57 -2.28 120.64 118.33 1xnx n GLU 268 Ca 0.21 0.07 -0.02 0.00 -0.01 0.00 0.00 57.16 57.41 1xnx n GLU 268 Cb 0.68 -1.59 -0.01 0.00 -1.01 0.00 0.00 31.44 29.51 1xnx n GLU 268 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1xnx h TYR 269 N 0.00 0.00 -0.77 -0.32 0.99 0.03 -2.70 116.97 114.21 1xnx h TYR 269 Ca 0.00 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 1xnx h TYR 269 Cb 0.57 0.00 -0.09 0.00 1.00 0.00 0.00 36.73 38.21 1xnx h TYR 269 CO 0.00 0.00 0.36 0.28 -0.00 0.00 0.00 178.16 178.80 1xnx h VAL 270 N -0.79 0.74 0.35 -2.88 2.07 -1.32 0.16 116.25 114.58 1xnx h VAL 270 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1xnx h VAL 270 Cb 0.22 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1xnx h VAL 270 CO 0.00 0.10 -0.21 -0.07 0.02 0.00 0.00 177.57 177.41 1xnx h LEU 271 N 0.55 -0.52 -0.83 2.57 4.07 -1.62 -0.63 115.31 118.90 1xnx h LEU 271 Ca 0.41 0.03 0.19 0.00 0.08 0.00 0.00 57.88 58.58 1xnx h LEU 271 Cb 0.55 0.15 -0.15 0.00 1.08 0.00 0.00 40.66 42.28 1xnx h LEU 271 CO -0.35 -0.32 -0.06 -0.03 -1.08 0.00 0.00 178.44 176.60 1xnx h MET 272 N -0.52 0.05 -0.50 1.13 4.05 -1.11 -0.48 114.93 117.55 1xnx h MET 272 Ca -0.05 -0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 1xnx h MET 272 Cb 0.41 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.14 1xnx h MET 272 CO 0.05 0.03 0.16 0.00 0.23 0.00 0.00 176.91 177.39 1xnx h ALA 273 N 1.81 0.60 -0.20 0.39 0.00 -0.43 -2.58 119.26 118.85 1xnx h ALA 273 Ca 0.45 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.34 1xnx h ALA 273 Cb 0.79 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1xnx h ALA 273 CO -0.78 -0.24 -0.27 0.00 0.00 0.00 0.00 179.25 177.97 1xnx h ALA 274 N 1.35 1.17 0.00 0.00 0.00 0.51 -0.42 119.26 121.86 1xnx h ALA 274 Ca 0.24 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1xnx h ALA 274 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xnx h ALA 274 CO -0.26 0.53 -0.18 1.79 0.00 0.00 0.00 179.25 181.13 1xnx h THR 275 N 0.34 0.57 0.00 0.00 1.35 -1.03 -1.29 112.91 112.84 1xnx h THR 275 Ca 0.05 -0.86 -0.21 0.00 -0.55 0.00 0.00 66.41 64.83 1xnx h THR 275 Cb 0.65 1.57 -0.03 0.00 -1.73 0.00 0.00 68.15 68.61 1xnx h THR 275 CO 0.05 0.18 -1.16 0.00 -0.25 0.00 0.00 175.52 174.33 1xnx h ALA 276 N 1.82 0.54 -0.74 6.62 0.00 -1.15 -3.24 119.26 123.12 1xnx h ALA 276 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1xnx h ALA 276 Cb 0.56 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1xnx h ALA 276 CO 0.02 1.22 0.48 1.25 0.00 0.00 0.00 179.25 182.22 1xnx h LEU 277 N 0.00 0.86 -7.44 0.00 5.85 0.04 -3.23 115.31 111.39 1xnx h LEU 277 Ca -0.10 -0.03 -0.74 0.00 0.84 0.00 0.00 57.88 57.85 1xnx h LEU 277 Cb 1.76 -0.21 -0.32 0.00 0.37 0.00 0.00 40.66 42.26 1xnx h LEU 277 CO 0.10 0.63 0.09 -0.36 -0.34 0.00 0.00 178.44 178.56 1xnx s PHE 278 N -5.81 4.00 -0.57 1.25 0.40 -0.84 -4.78 117.98 111.62 1xnx s PHE 278 Ca -0.11 -2.85 -0.00 0.00 -0.60 0.00 0.00 56.93 53.37 1xnx s PHE 278 Cb 0.18 -3.47 0.15 0.00 0.51 0.00 0.00 43.02 40.38 1xnx s PHE 278 CO 0.78 -0.83 0.36 0.45 0.70 0.00 0.00 175.22 176.68 1xnx s SER 279 N 0.51 4.94 0.49 1.36 0.15 -1.22 -4.55 113.70 115.38 1xnx s SER 279 Ca 0.28 -2.84 0.22 0.00 0.70 0.00 0.00 55.95 54.31 1xnx s SER 279 Cb -0.09 -1.78 1.19 0.00 -1.71 0.00 0.00 66.02 63.63 1xnx s SER 279 CO -0.10 -0.34 1.63 1.55 1.20 0.00 0.00 173.24 177.18 1xnx h PRO 280 N 6.94 0.00 -0.87 5.44 0.13 -1.93 -2.52 132.00 139.19 1xnx h PRO 280 Ca -0.04 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 1xnx h PRO 280 Cb 0.94 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.97 1xnx h PRO 280 CO 0.70 0.00 0.21 -3.47 -0.23 0.00 0.00 178.00 175.20 1xnx n ASP 281 N -2.48 3.73 -4.74 1.44 2.03 -1.26 -4.76 116.55 110.52 1xnx n ASP 281 Ca -0.01 -2.80 -0.37 0.00 0.52 0.00 0.00 54.79 52.13 1xnx n ASP 281 Cb 0.33 -0.67 -0.07 0.00 -0.72 0.00 0.00 41.12 40.00 1xnx n ASP 281 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xnx s ARG 282 N -2.09 4.25 -0.08 -0.67 0.52 -0.95 -5.03 118.95 114.90 1xnx s ARG 282 Ca 0.35 0.26 -0.39 0.00 -0.52 0.00 0.00 55.73 55.43 1xnx s ARG 282 Cb 0.28 -3.41 -0.17 0.00 0.52 0.00 0.00 34.95 32.17 1xnx s ARG 282 CO 0.08 0.26 1.45 -0.35 0.02 0.00 0.00 175.30 176.76 1xnx n PRO 283 N 3.43 0.93 0.00 3.54 -0.04 -1.26 -2.41 135.00 139.19 1xnx n PRO 283 Ca -0.10 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1xnx n PRO 283 Cb 0.52 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1xnx n PRO 283 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xnx n GLY 284 N 3.01 0.22 3.73 0.55 0.00 -1.26 -4.87 105.19 106.56 1xnx n GLY 284 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1xnx n GLY 284 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnx s VAL 285 N -2.00 3.43 0.00 1.61 1.01 -1.01 -4.80 120.40 118.64 1xnx s VAL 285 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.08 1xnx s VAL 285 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1xnx s VAL 285 CO 0.00 0.12 0.20 0.41 0.00 0.00 0.00 175.10 175.84 1xnx n THR 286 N 3.30 0.00 -2.70 3.92 -1.04 -1.26 -4.55 114.28 111.95 1xnx n THR 286 Ca 0.08 0.51 -0.43 0.00 -2.04 0.00 0.00 64.05 62.17 1xnx n THR 286 Cb 0.43 -1.13 0.01 0.00 -1.82 0.00 0.00 70.33 67.82 1xnx n THR 286 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xnx n GLN 287 N -1.21 3.85 0.00 -2.82 10.64 -1.26 -4.79 117.38 121.79 1xnx n GLN 287 Ca 0.00 -3.96 0.00 0.00 -1.83 0.00 0.00 57.00 51.21 1xnx n GLN 287 Cb 0.00 -2.78 0.00 0.00 -0.86 0.00 0.00 30.24 26.60 1xnx n GLN 287 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1xnx n ARG 288 N 3.21 0.36 -0.11 2.61 1.74 -1.26 -2.16 116.66 121.04 1xnx n ARG 288 Ca 0.34 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.22 1xnx n ARG 288 Cb 0.36 -1.19 -0.07 0.00 -1.02 0.00 0.00 32.46 30.55 1xnx n ARG 288 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xnx n GLU 289 N 0.35 0.53 0.13 5.56 1.02 -1.26 -3.91 120.64 123.07 1xnx n GLU 289 Ca 0.00 0.23 0.13 0.00 -0.02 0.00 0.00 57.16 57.49 1xnx n GLU 289 Cb 0.09 -1.41 0.44 0.00 -0.02 0.00 0.00 31.44 30.54 1xnx n GLU 289 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1xnx h GLU 290 N -0.95 0.00 0.15 3.49 4.81 -1.86 -3.25 114.58 116.98 1xnx h GLU 290 Ca -0.38 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.53 1xnx h GLU 290 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1xnx h GLU 290 CO -0.23 0.00 -1.58 0.82 -0.73 0.00 0.00 179.01 177.29 1xnx h ILE 291 N 0.00 0.99 0.00 2.32 1.08 -1.77 -2.34 117.51 117.79 1xnx h ILE 291 Ca 0.00 -2.46 0.00 0.00 -0.39 0.00 0.00 64.86 62.01 1xnx h ILE 291 Cb 0.61 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 1xnx h ILE 291 CO 0.00 0.79 0.00 -0.67 -0.69 0.00 0.00 178.15 177.58 1xnx n ASP 292 N -3.76 0.58 0.00 1.72 4.64 -1.23 -1.98 116.55 116.53 1xnx n ASP 292 Ca -0.25 -1.52 0.00 0.00 -1.38 0.00 0.00 54.79 51.64 1xnx n ASP 292 Cb 0.99 -0.29 0.00 0.00 -1.04 0.00 0.00 41.12 40.78 1xnx n ASP 292 CO 0.00 0.00 0.00 1.67 -0.82 0.00 0.00 177.20 178.05 1xnx n GLN 293 N -0.03 0.00 0.09 -0.67 -0.06 -1.23 -4.42 117.38 111.07 1xnx n GLN 293 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.04 1xnx n GLN 293 Cb 0.14 -0.62 0.45 0.00 -4.06 0.00 0.00 30.24 26.15 1xnx n GLN 293 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1xnx h LEU 294 N 0.00 0.30 0.44 1.69 3.38 -1.12 0.45 115.31 120.46 1xnx h LEU 294 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xnx h LEU 294 Cb 0.97 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1xnx h LEU 294 CO 0.00 0.30 -0.21 -0.61 0.09 0.00 0.00 178.44 178.01 1xnx h GLN 295 N 0.34 -0.58 0.00 1.13 4.15 -1.64 -2.84 115.11 115.68 1xnx h GLN 295 Ca 0.08 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1xnx h GLN 295 Cb 0.11 0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1xnx h GLN 295 CO -0.01 -0.38 0.16 0.93 -1.93 0.00 0.00 178.83 177.61 1xnx h GLU 296 N -0.80 0.00 0.00 1.69 5.08 -1.74 0.99 114.58 119.80 1xnx h GLU 296 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xnx h GLU 296 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1xnx h GLU 296 CO 0.10 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.20 1xnx n GLU 297 N -2.94 0.75 0.00 2.33 2.13 0.14 -3.15 120.64 119.90 1xnx n GLU 297 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1xnx n GLU 297 Cb 0.22 -1.07 0.00 0.00 0.27 0.00 0.00 31.44 30.86 1xnx n GLU 297 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1xnx n MET 298 N -0.57 3.26 -0.02 5.31 2.81 0.31 -4.71 117.12 123.50 1xnx n MET 298 Ca 0.03 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.80 1xnx n MET 298 Cb 0.01 -0.30 -0.06 0.00 -0.71 0.00 0.00 33.22 32.16 1xnx n MET 298 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xnx h ALA 299 N 0.00 0.16 0.00 3.04 0.00 -0.48 0.03 119.26 122.01 1xnx h ALA 299 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xnx h ALA 299 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xnx h ALA 299 CO 0.00 -0.28 0.00 -0.07 0.00 0.00 0.00 179.25 178.90 1xnx h LEU 300 N 0.07 0.00 -0.41 0.00 -0.00 -1.83 -2.27 115.31 110.86 1xnx h LEU 300 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1xnx h LEU 300 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1xnx h LEU 300 CO -0.00 0.00 0.00 0.40 -0.00 0.00 0.00 178.44 178.84 1xnx h ILE 301 N 0.00 0.00 0.09 1.22 5.03 -1.66 -0.38 117.51 121.80 1xnx h ILE 301 Ca 0.00 -0.51 -0.28 0.00 -0.12 0.00 0.00 64.86 63.95 1xnx h ILE 301 Cb 0.84 1.44 -0.01 0.00 -3.03 0.00 0.00 36.82 36.05 1xnx h ILE 301 CO 0.00 0.00 -1.48 0.25 -0.68 0.00 0.00 178.15 176.24 1xnx h LEU 302 N 0.00 0.28 -1.29 1.44 7.12 -0.55 -3.09 115.31 119.22 1xnx h LEU 302 Ca 0.00 -0.79 0.02 0.00 0.13 0.00 0.00 57.88 57.24 1xnx h LEU 302 Cb 0.65 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 1xnx h LEU 302 CO 0.00 1.63 0.49 -1.13 -0.13 0.00 0.00 178.44 179.30 1xnx h ASN 303 N -0.41 0.81 0.22 1.25 -1.24 -1.18 -1.50 115.58 113.53 1xnx h ASN 303 Ca -0.34 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.65 1xnx h ASN 303 Cb 1.69 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.55 1xnx h ASN 303 CO -0.00 0.57 -0.11 0.78 -1.29 0.00 0.00 177.43 177.38 1xnx h ASN 304 N 0.94 -0.25 -0.99 1.15 2.35 -1.20 -3.14 115.58 114.44 1xnx h ASN 304 Ca 0.28 -0.27 0.18 0.00 -0.55 0.00 0.00 56.30 55.94 1xnx h ASN 304 Cb -0.02 0.07 -0.10 0.00 0.05 0.00 0.00 38.32 38.32 1xnx h ASN 304 CO -0.07 0.19 0.62 -0.74 -1.65 0.00 0.00 177.43 175.77 1xnx h HIS 305 N -0.77 1.02 -0.79 1.19 -0.00 -1.43 0.25 115.15 114.61 1xnx h HIS 305 Ca -0.03 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 1xnx h HIS 305 Cb 0.51 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.55 1xnx h HIS 305 CO 0.05 0.27 0.52 0.82 -0.00 0.00 0.00 177.93 179.60 1xnx h ILE 306 N 0.77 0.79 0.11 6.26 2.04 -1.23 -0.89 117.51 125.37 1xnx h ILE 306 Ca 0.55 -0.16 -0.30 0.00 1.00 0.00 0.00 64.86 65.94 1xnx h ILE 306 Cb 0.84 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1xnx h ILE 306 CO -0.33 0.08 -1.52 0.24 0.00 0.00 0.00 178.15 176.63 1xnx h MET 307 N 0.46 0.23 0.00 2.37 2.86 -0.55 -2.48 114.93 117.83 1xnx h MET 307 Ca 0.39 -0.40 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1xnx h MET 307 Cb 0.85 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1xnx h MET 307 CO -0.14 1.09 0.13 -1.91 1.06 0.00 0.00 176.91 177.15 1xnx n GLU 308 N -3.44 0.09 -1.04 1.72 2.13 -0.33 0.47 120.64 120.24 1xnx n GLU 308 Ca -0.16 0.57 0.04 0.00 0.66 0.00 0.00 57.16 58.27 1xnx n GLU 308 Cb 1.04 -1.94 0.08 0.00 0.27 0.00 0.00 31.44 30.89 1xnx n GLU 308 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1xnx n GLN 309 N -2.01 0.53 -0.09 5.31 1.13 -0.97 -4.89 117.38 116.40 1xnx n GLN 309 Ca -0.01 -2.29 0.26 0.00 -1.94 0.00 0.00 57.00 53.01 1xnx n GLN 309 Cb 0.16 -0.61 0.61 0.00 0.11 0.00 0.00 30.24 30.51 1xnx n GLN 309 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1xnx h GLN 310 N 0.83 0.00 0.80 -1.09 -0.00 0.50 -2.55 115.11 113.59 1xnx h GLN 310 Ca -0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.49 1xnx h GLN 310 Cb 1.53 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 29.02 1xnx h GLN 310 CO 0.05 0.00 -0.38 1.03 -0.00 0.00 0.00 178.83 179.53 1xnx h SER 311 N 0.00 -0.91 0.54 0.06 0.87 -1.87 -3.31 113.55 108.93 1xnx h SER 311 Ca 0.37 0.02 -0.26 0.00 -1.23 0.00 0.00 61.79 60.69 1xnx h SER 311 Cb 2.05 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 64.25 1xnx h SER 311 CO -0.00 -0.62 -1.14 0.08 -0.53 0.00 0.00 176.83 174.62 1xnx h ARG 312 N -1.12 0.31 -4.89 2.24 0.11 -1.86 -3.37 114.38 105.80 1xnx h ARG 312 Ca -0.11 -0.45 -0.73 0.00 0.10 0.00 0.00 59.98 58.79 1xnx h ARG 312 Cb 0.83 0.16 -0.16 0.00 1.11 0.00 0.00 29.97 31.91 1xnx h ARG 312 CO 0.18 1.18 1.55 1.28 0.10 0.00 0.00 179.97 184.25 1xnx n LEU 313 N -3.60 5.24 -1.88 0.08 4.77 -1.06 -4.76 117.00 115.78 1xnx n LEU 313 Ca -0.08 -4.37 -0.20 0.00 -0.03 0.00 0.00 56.01 51.33 1xnx n LEU 313 Cb 0.96 -1.64 0.15 0.00 -2.33 0.00 0.00 43.42 40.56 1xnx n LEU 313 CO 0.53 0.65 1.03 0.00 -1.33 0.00 0.00 177.39 178.28 1xnx n GLN 314 N 6.05 2.31 -2.92 3.23 10.64 -1.26 -4.68 117.38 130.76 1xnx n GLN 314 Ca 0.39 -3.23 -0.40 0.00 -1.83 0.00 0.00 57.00 51.94 1xnx n GLN 314 Cb 0.43 -2.09 -0.05 0.00 -0.86 0.00 0.00 30.24 27.67 1xnx n GLN 314 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1xnx s SER 315 N -2.01 7.36 -0.10 2.61 0.15 -1.26 -4.98 113.70 115.47 1xnx s SER 315 Ca 0.54 1.62 -0.29 0.00 0.70 0.00 0.00 55.95 58.51 1xnx s SER 315 Cb 0.46 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 1xnx s SER 315 CO 0.04 0.09 1.51 -0.60 1.20 0.00 0.00 173.24 175.48 1xnx s ARG 316 N -0.54 4.20 -0.69 5.44 3.52 -1.26 -3.38 118.95 126.24 1xnx s ARG 316 Ca 0.39 1.99 -0.02 0.00 -0.13 0.00 0.00 55.73 57.96 1xnx s ARG 316 Cb -0.22 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 1xnx s ARG 316 CO 0.26 -0.80 0.59 1.19 -0.81 0.00 0.00 175.30 175.73 1xnx n PHE 317 N 6.95 -1.34 0.00 5.12 0.99 -1.26 -4.93 117.46 122.99 1xnx n PHE 317 Ca 0.16 0.53 0.00 0.00 -0.00 0.00 0.00 57.45 58.14 1xnx n PHE 317 Cb 0.44 -3.54 0.00 0.00 -1.00 0.00 0.00 39.48 35.37 1xnx n PHE 317 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1xnx n LEU 318 N -2.81 0.00 0.00 4.37 4.77 -1.22 -2.09 117.00 120.02 1xnx n LEU 318 Ca -0.10 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1xnx n LEU 318 Cb 0.57 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1xnx n LEU 318 CO 0.34 -0.12 0.15 0.00 -1.33 0.00 0.00 177.39 176.43 1xnx n TYR 319 N -1.24 0.00 -0.33 -1.77 9.36 -1.26 0.21 117.16 122.13 1xnx n TYR 319 Ca 0.00 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.42 1xnx n TYR 319 Cb 0.00 -0.15 0.42 0.00 -0.63 0.00 0.00 39.34 38.99 1xnx n TYR 319 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xnx h ALA 320 N -0.34 1.79 -0.11 2.98 0.00 -1.97 0.77 119.26 122.38 1xnx h ALA 320 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 1xnx h ALA 320 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xnx h ALA 320 CO 0.00 -0.48 -0.62 0.87 0.00 0.00 0.00 179.25 179.01 1xnx h LYS 321 N 0.36 0.40 0.56 0.00 1.57 0.31 0.47 116.57 120.25 1xnx h LYS 321 Ca 0.68 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 59.15 1xnx h LYS 321 Cb 1.47 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.83 1xnx h LYS 321 CO -0.58 0.89 -0.27 1.25 -0.57 0.00 0.00 179.45 180.17 1xnx h LEU 322 N 0.29 -0.64 -1.92 2.94 5.85 0.49 -2.25 115.31 120.07 1xnx h LEU 322 Ca -0.01 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1xnx h LEU 322 Cb 1.16 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1xnx h LEU 322 CO 0.11 -0.32 0.28 0.24 -0.34 0.00 0.00 178.44 178.41 1xnx h MET 323 N -1.04 0.08 0.00 1.25 2.86 -0.53 1.61 114.93 119.16 1xnx h MET 323 Ca -0.08 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xnx h MET 323 Cb 0.58 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1xnx h MET 323 CO 0.13 0.06 0.00 0.78 1.06 0.00 0.00 176.91 178.93 1xnx h GLY 324 N 0.09 0.00 0.58 8.32 0.00 -0.68 -1.14 103.07 110.23 1xnx h GLY 324 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.15 1xnx h GLY 324 CO -0.02 0.00 -2.02 1.04 0.00 0.00 0.00 176.54 175.54 1xnx n LEU 325 N -2.74 2.53 0.29 3.11 4.77 0.54 -3.21 117.00 122.29 1xnx n LEU 325 Ca -0.01 0.19 0.15 0.00 -0.03 0.00 0.00 56.01 56.32 1xnx n LEU 325 Cb 0.16 -1.00 0.87 0.00 -2.33 0.00 0.00 43.42 41.11 1xnx n LEU 325 CO 0.20 0.83 1.07 0.25 -1.33 0.00 0.00 177.39 178.40 1xnx h LEU 326 N 0.06 0.00 0.01 2.23 5.85 -0.44 -1.06 115.31 121.96 1xnx h LEU 326 Ca -0.43 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.04 1xnx h LEU 326 Cb 2.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.02 1xnx h LEU 326 CO 0.07 0.05 -1.33 0.00 -0.34 0.00 0.00 178.44 176.89 1xnx h ALA 327 N 1.95 0.50 0.00 1.25 0.00 -1.35 -3.05 119.26 118.55 1xnx h ALA 327 Ca -0.00 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1xnx h ALA 327 Cb 0.14 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xnx h ALA 327 CO 0.01 1.36 0.00 -0.44 0.00 0.00 0.00 179.25 180.18 1xnx h ASP 328 N 0.01 0.00 0.15 0.00 5.19 -1.23 -2.57 116.42 117.96 1xnx h ASP 328 Ca -0.14 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.02 1xnx h ASP 328 Cb 1.89 0.00 0.01 0.00 0.18 0.00 0.00 39.33 41.41 1xnx h ASP 328 CO 0.12 0.00 -1.21 0.25 -3.12 0.00 0.00 179.24 175.28 1xnx h LEU 329 N 0.00 0.48 -0.43 1.55 5.85 -1.30 -3.21 115.31 118.26 1xnx h LEU 329 Ca 0.00 -0.90 -0.02 0.00 0.84 0.00 0.00 57.88 57.79 1xnx h LEU 329 Cb 0.79 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1xnx h LEU 329 CO 0.00 1.55 0.18 -0.09 -0.34 0.00 0.00 178.44 179.74 1xnx h ARG 330 N -0.26 0.63 -0.19 1.25 2.43 -1.54 0.23 114.38 116.94 1xnx h ARG 330 Ca -0.24 -0.11 0.06 0.00 -0.81 0.00 0.00 59.98 58.88 1xnx h ARG 330 Cb 1.78 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.22 1xnx h ARG 330 CO 0.13 0.57 0.14 0.66 -1.51 0.00 0.00 179.97 179.96 1xnx h SER 331 N 0.55 0.00 0.58 -3.80 4.64 -1.58 0.02 113.55 113.95 1xnx h SER 331 Ca 0.14 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.35 1xnx h SER 331 Cb 0.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1xnx h SER 331 CO -0.01 0.00 -1.52 2.30 -0.87 0.00 0.00 176.83 176.73 1xnx n ILE 332 N -4.42 0.86 0.24 0.95 -6.64 -0.96 -2.32 119.36 107.06 1xnx n ILE 332 Ca 0.02 -0.64 0.09 0.00 -1.77 0.00 0.00 62.75 60.45 1xnx n ILE 332 Cb 0.28 -0.48 0.59 0.00 -1.44 0.00 0.00 39.64 38.60 1xnx n ILE 332 CO 0.00 0.00 0.00 -1.13 -1.77 0.00 0.00 176.55 173.65 1xnx h ASN 333 N 0.00 0.00 0.00 7.28 -0.73 0.12 -2.87 115.58 119.38 1xnx h ASN 333 Ca -0.13 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.04 1xnx h ASN 333 Cb 1.40 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.99 1xnx h ASN 333 CO 0.02 0.18 0.00 0.59 -0.37 0.00 0.00 177.43 177.86 1xnx n ASN 334 N -3.88 0.00 -0.10 1.15 5.03 -0.20 -4.36 115.26 112.90 1xnx n ASN 334 Ca -0.02 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.46 1xnx n ASN 334 Cb 0.28 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 39.10 1xnx n ASN 334 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xnx n ALA 335 N -1.84 0.11 -3.62 5.41 0.00 -0.98 -2.94 120.51 116.64 1xnx n ALA 335 Ca 0.00 0.30 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 1xnx n ALA 335 Cb 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.10 1xnx n ALA 335 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xnx s TYR 336 N -5.19 2.92 0.00 0.00 1.51 -1.08 -4.80 117.35 110.71 1xnx s TYR 336 Ca -0.04 -1.07 0.00 0.00 -1.01 0.00 0.00 57.07 54.95 1xnx s TYR 336 Cb 0.08 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1xnx s TYR 336 CO 0.22 -0.60 0.00 0.45 -1.11 0.00 0.00 175.55 174.51 1xnx n SER 337 N 4.76 0.00 0.14 2.29 2.88 -1.15 -4.26 113.62 118.27 1xnx n SER 337 Ca -0.19 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.54 1xnx n SER 337 Cb 0.51 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.74 1xnx n SER 337 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1xnx h TYR 338 N 0.00 0.00 0.08 0.66 -0.00 -1.87 -1.82 116.97 114.02 1xnx h TYR 338 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.73 58.39 1xnx h TYR 338 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 36.70 1xnx h TYR 338 CO 0.00 0.00 -1.93 -0.85 -0.00 0.00 0.00 178.16 175.38 1xnx n GLU 339 N -3.81 0.72 0.30 0.10 0.28 -1.26 -3.69 120.64 113.27 1xnx n GLU 339 Ca 0.05 0.26 0.17 0.00 -0.16 0.00 0.00 57.16 57.48 1xnx n GLU 339 Cb 0.49 -1.73 0.90 0.00 1.43 0.00 0.00 31.44 32.53 1xnx n GLU 339 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1xnx h LEU 340 N 0.05 0.00 0.15 -1.84 4.07 -1.68 -2.42 115.31 113.64 1xnx h LEU 340 Ca -0.39 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 1xnx h LEU 340 Cb 2.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.77 1xnx h LEU 340 CO 0.08 0.00 -0.07 -0.61 -1.08 0.00 0.00 178.44 176.76 1xnx h GLN 341 N 0.00 -0.19 -0.25 1.13 4.15 -1.56 -3.35 115.11 115.03 1xnx h GLN 341 Ca 0.00 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.51 1xnx h GLN 341 Cb 0.34 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.03 1xnx h GLN 341 CO 0.00 -0.13 0.02 0.54 -1.93 0.00 0.00 178.83 177.33 1xnx n ARG 342 N -4.64 -0.02 -1.00 1.69 1.74 -0.91 -4.84 116.66 108.68 1xnx n ARG 342 Ca -0.03 0.37 -0.03 0.00 -0.77 0.00 0.00 57.85 57.40 1xnx n ARG 342 Cb 0.08 -0.59 -0.01 0.00 -1.02 0.00 0.00 32.46 30.91 1xnx n ARG 342 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xnx n LEU 343 N -4.06 -1.21 -3.53 0.55 4.77 -1.25 -4.53 117.00 107.74 1xnx n LEU 343 Ca 0.06 -1.02 -0.07 0.00 -0.03 0.00 0.00 56.01 54.95 1xnx n LEU 343 Cb 0.21 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1xnx n LEU 343 CO -0.02 -1.42 -0.04 0.35 -1.33 0.00 0.00 177.39 174.93 1xnx n THR 350 N 4.35 -0.34 -1.59 -5.08 -2.24 -1.26 -4.97 114.28 103.15 1xnx n THR 350 Ca 0.04 -0.09 -0.40 0.00 -2.27 0.00 0.00 64.05 61.33 1xnx n THR 350 Cb 0.37 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1xnx n THR 350 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1xnx n PRO 351 N -1.57 3.70 -3.84 -0.78 -0.05 -1.26 -4.86 135.00 126.35 1xnx n PRO 351 Ca -0.03 -2.60 -0.26 0.00 -0.05 0.00 0.00 63.50 60.56 1xnx n PRO 351 Cb 0.09 -2.87 -0.17 0.00 -0.05 0.00 0.00 33.50 30.50 1xnx n PRO 351 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 1xnx s LEU 352 N 0.12 1.04 -0.11 1.53 1.43 -1.26 -5.04 118.68 116.39 1xnx s LEU 352 Ca 0.60 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 1xnx s LEU 352 Cb 0.17 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 1xnx s LEU 352 CO -0.07 -0.17 -0.20 0.00 0.23 0.00 0.00 176.35 176.14 1xnx n LEU 353 N 5.02 1.19 0.01 1.79 -0.00 -1.26 -4.35 117.00 119.40 1xnx n LEU 353 Ca -0.10 0.26 0.01 0.00 -0.00 0.00 0.00 56.01 56.18 1xnx n LEU 353 Cb 0.49 -0.67 0.03 0.00 -0.00 0.00 0.00 43.42 43.28 1xnx n LEU 353 CO 0.14 -0.38 0.52 0.61 -0.00 0.00 0.00 177.39 178.28 1xnx n GLY 354 N 1.51 -0.37 0.01 1.47 0.00 -1.26 -1.83 105.19 104.73 1xnx n GLY 354 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1xnx n GLY 354 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xnx n GLU 355 N -1.40 0.01 -4.44 1.61 4.07 -1.26 -4.52 120.64 114.71 1xnx n GLU 355 Ca -0.00 0.48 -0.26 0.00 -0.06 0.00 0.00 57.16 57.32 1xnx n GLU 355 Cb 0.16 -1.57 -0.17 0.00 -0.06 0.00 0.00 31.44 29.80 1xnx n GLU 355 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1xnx s ILE 356 N -2.99 1.20 0.00 6.31 1.01 -0.76 -5.17 121.20 120.80 1xnx s ILE 356 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1xnx s ILE 356 Cb 0.01 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1xnx s ILE 356 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 174.94 175.33