#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xai s VAL 127 N 0.00 1.02 -0.29 -0.72 -7.23 0.15 -4.58 120.40 108.75 2xai s VAL 127 Ca 0.00 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.26 2xai s VAL 127 Cb 0.00 -1.59 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 2xai s VAL 127 CO 0.00 -0.66 0.10 -0.75 -0.31 0.00 0.00 175.10 173.49 2xai s LYS 128 N -3.26 3.30 -0.26 4.82 2.20 -1.26 -1.08 119.74 124.20 2xai s LYS 128 Ca 0.11 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.88 2xai s LYS 128 Cb -0.00 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2xai s LYS 128 CO -0.00 -0.38 0.19 -0.51 -0.36 0.00 0.00 175.35 174.29 2xai s LEU 129 N 1.57 4.07 -0.27 5.43 1.43 0.82 -0.69 118.68 131.03 2xai s LEU 129 Ca 0.04 0.07 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 2xai s LEU 129 Cb -0.17 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2xai s LEU 129 CO 0.04 -0.00 0.07 -0.63 0.23 0.00 0.00 176.35 176.05 2xai s ILE 130 N 1.44 4.07 1.10 -0.59 1.01 0.15 -0.96 121.20 127.43 2xai s ILE 130 Ca 0.08 -0.46 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 2xai s ILE 130 Cb -0.15 -3.00 0.27 0.00 0.01 0.00 0.00 42.46 39.60 2xai s ILE 130 CO 0.08 0.21 1.03 -1.54 0.00 0.00 0.00 174.94 174.72 2xai n SER 131 N 4.89 -1.78 0.10 3.58 3.41 -0.13 -1.24 113.62 122.45 2xai n SER 131 Ca -0.15 -1.15 0.04 0.00 -0.26 0.00 0.00 58.87 57.34 2xai n SER 131 Cb 0.50 -0.92 -0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2xai n SER 131 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2xai h SER 132 N -2.48 0.00 -0.08 4.04 4.64 -0.81 -3.29 113.55 115.57 2xai h SER 132 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2xai h SER 132 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2xai h SER 132 CO 0.25 0.42 0.00 -0.90 -0.87 0.00 0.00 176.83 175.73 2xai n ASP 133 N -3.02 2.64 0.00 4.97 5.75 -1.26 -4.94 116.55 120.68 2xai n ASP 133 Ca -0.02 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2xai n ASP 133 Cb 0.73 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 2xai n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2xai n GLY 134 N 1.32 1.47 3.78 6.12 0.00 -1.24 -5.05 105.19 111.59 2xai n GLY 134 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2xai n GLY 134 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xai s HIS 135 N -1.97 2.95 -0.20 1.61 3.76 -1.26 -4.84 115.29 115.34 2xai s HIS 135 Ca 0.00 1.57 0.01 0.00 -0.15 0.00 0.00 55.06 56.49 2xai s HIS 135 Cb 0.00 -3.23 0.03 0.00 1.11 0.00 0.00 32.58 30.49 2xai s HIS 135 CO 0.00 -1.16 -0.16 -1.83 -0.85 0.00 0.00 174.74 170.74 2xai s GLU 136 N -2.89 2.82 -0.12 1.40 1.03 -1.26 -0.96 118.70 118.72 2xai s GLU 136 Ca 0.65 -0.95 -0.04 0.00 0.03 0.00 0.00 54.97 54.66 2xai s GLU 136 Cb -0.23 -2.69 -0.03 0.00 -0.80 0.00 0.00 34.13 30.37 2xai s GLU 136 CO 0.28 -0.31 0.03 -0.06 -1.33 0.00 0.00 175.26 173.87 2xai s PHE 137 N 1.26 3.21 -0.21 4.83 0.08 -0.13 -4.97 117.98 122.04 2xai s PHE 137 Ca 0.01 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.21 2xai s PHE 137 Cb -0.15 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.43 2xai s PHE 137 CO -0.10 0.36 -0.15 0.42 -0.10 0.00 0.00 175.22 175.65 2xai s ILE 138 N -0.44 2.34 0.22 0.64 1.01 -1.26 -0.13 121.20 123.59 2xai s ILE 138 Ca 0.09 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.74 2xai s ILE 138 Cb -0.12 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2xai s ILE 138 CO 0.02 0.37 -0.03 0.68 0.00 0.00 0.00 174.94 175.98 2xai s VAL 139 N 1.28 1.14 0.22 2.92 -7.23 -0.24 -4.95 120.40 113.54 2xai s VAL 139 Ca 0.02 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.83 2xai s VAL 139 Cb -0.15 -2.28 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 2xai s VAL 139 CO -0.09 -0.39 1.41 -0.54 -0.31 0.00 0.00 175.10 175.18 2xai s LYS 140 N -3.82 4.30 0.19 4.82 1.02 -1.26 0.32 119.74 125.30 2xai s LYS 140 Ca 0.27 2.22 -0.13 0.00 0.02 0.00 0.00 55.97 58.35 2xai s LYS 140 Cb 0.05 -3.14 0.18 0.00 -0.52 0.00 0.00 37.83 34.40 2xai s LYS 140 CO 0.08 -0.39 1.72 -0.09 -0.92 0.00 0.00 175.35 175.76 2xai h ARG 141 N 5.34 0.25 -0.88 1.68 2.43 -1.90 -0.04 114.38 121.27 2xai h ARG 141 Ca -0.45 -0.02 0.23 0.00 -0.81 0.00 0.00 59.98 58.93 2xai h ARG 141 Cb 1.22 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 2xai h ARG 141 CO 0.79 0.17 0.61 1.49 -1.51 0.00 0.00 179.97 181.51 2xai h GLU 142 N 0.26 0.20 -0.10 0.20 4.81 -1.98 -1.78 114.58 116.20 2xai h GLU 142 Ca 0.25 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.33 2xai h GLU 142 Cb 0.31 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.65 2xai h GLU 142 CO -0.30 0.13 -0.47 0.45 -0.73 0.00 0.00 179.01 178.08 2xai h HIS 143 N 0.21 0.67 0.00 0.92 3.86 -1.38 -3.16 115.15 116.26 2xai h HIS 143 Ca 0.44 -0.29 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2xai h HIS 143 Cb 1.40 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.76 2xai h HIS 143 CO -0.00 1.06 -0.19 0.00 0.86 0.00 0.00 177.93 179.66 2xai h ALA 144 N 0.47 1.30 -0.13 2.45 0.00 -1.03 -1.34 119.26 120.97 2xai h ALA 144 Ca -0.03 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.74 2xai h ALA 144 Cb 1.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2xai h ALA 144 CO 0.10 0.24 0.17 -0.07 0.00 0.00 0.00 179.25 179.69 2xai h LEU 145 N 0.00 0.00 -1.65 0.00 3.38 -1.37 -0.95 115.31 114.72 2xai h LEU 145 Ca -0.00 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.35 2xai h LEU 145 Cb 0.46 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2xai h LEU 145 CO 0.02 0.00 0.89 0.74 0.09 0.00 0.00 178.44 180.18 2xai h THR 146 N 0.00 0.29 -3.67 0.22 2.02 -1.36 -3.35 112.91 107.06 2xai h THR 146 Ca 0.06 -0.04 -0.60 0.00 0.77 0.00 0.00 66.41 66.60 2xai h THR 146 Cb 0.41 0.15 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 2xai h THR 146 CO -0.00 0.02 0.62 -0.55 0.37 0.00 0.00 175.52 175.99 2xai s SER 147 N -4.79 6.51 0.26 4.18 0.15 -0.36 -4.74 113.70 114.91 2xai s SER 147 Ca -0.07 0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 2xai s SER 147 Cb 0.26 -2.46 0.49 0.00 -1.71 0.00 0.00 66.02 62.60 2xai s SER 147 CO 0.82 -1.07 1.63 1.23 1.20 0.00 0.00 173.24 177.04 2xai h GLY 148 N 10.64 0.92 0.47 9.45 0.00 -1.26 0.28 103.07 123.57 2xai h GLY 148 Ca -0.24 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.25 2xai h GLY 148 CO 1.04 -0.32 -0.11 -0.84 0.00 0.00 0.00 176.54 176.30 2xai h THR 149 N 0.10 0.66 -0.32 4.70 2.02 -1.71 -1.26 112.91 117.09 2xai h THR 149 Ca 0.45 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.58 2xai h THR 149 Cb 0.81 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2xai h THR 149 CO -0.71 0.00 0.01 0.40 0.37 0.00 0.00 175.52 175.59 2xai h ILE 150 N -0.10 1.25 -1.00 3.11 2.04 -1.45 -2.01 117.51 119.35 2xai h ILE 150 Ca 0.11 -0.92 0.22 0.00 1.00 0.00 0.00 64.86 65.27 2xai h ILE 150 Cb 0.27 1.22 -0.11 0.00 -0.74 0.00 0.00 36.82 37.46 2xai h ILE 150 CO -0.25 0.30 0.62 0.50 0.00 0.00 0.00 178.15 179.31 2xai h LYS 151 N 0.37 0.60 -0.05 2.37 3.64 -0.21 -1.74 116.57 121.54 2xai h LYS 151 Ca 0.09 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2xai h LYS 151 Cb 0.42 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2xai h LYS 151 CO 0.01 0.39 -0.22 0.00 -2.27 0.00 0.00 179.45 177.37 2xai h ALA 152 N 1.66 0.09 -0.06 5.00 0.00 -0.97 -3.16 119.26 121.81 2xai h ALA 152 Ca 0.59 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2xai h ALA 152 Cb 1.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2xai h ALA 152 CO -0.37 0.07 0.08 0.52 0.00 0.00 0.00 179.25 179.55 2xai h MET 153 N -0.31 0.00 -6.41 0.00 2.86 -0.59 -3.52 114.93 106.97 2xai h MET 153 Ca -0.01 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.08 2xai h MET 153 Cb 0.87 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 2xai h MET 153 CO 0.05 0.00 -0.13 -0.51 1.06 0.00 0.00 176.91 177.38 2xai s LEU 154 N -7.42 4.19 0.00 1.22 1.02 -0.89 -5.11 118.68 111.70 2xai s LEU 154 Ca -0.05 0.91 -0.00 0.00 0.02 0.00 0.00 54.13 55.01 2xai s LEU 154 Cb 0.15 -3.62 -0.00 0.00 0.02 0.00 0.00 46.19 42.74 2xai s LEU 154 CO 0.52 -0.05 0.01 1.21 0.02 0.00 0.00 176.35 178.06 2xai n GLU 167 N -0.04 0.00 -4.35 1.70 2.13 -1.26 -4.98 120.64 113.85 2xai n GLU 167 Ca -0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.58 2xai n GLU 167 Cb 0.52 -0.01 -0.13 0.00 0.27 0.00 0.00 31.44 32.09 2xai n GLU 167 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2xai s VAL 168 N -0.01 1.60 -0.00 6.31 1.01 0.13 -5.00 120.40 124.44 2xai s VAL 168 Ca 0.01 -1.42 0.07 0.00 0.00 0.00 0.00 61.98 60.64 2xai s VAL 168 Cb -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2xai s VAL 168 CO 0.01 -0.02 -0.23 0.21 0.00 0.00 0.00 175.10 175.07 2xai s ASN 169 N -1.70 2.66 -0.56 3.32 3.84 -1.26 -0.68 114.94 120.56 2xai s ASN 169 Ca 0.05 -0.44 0.04 0.00 0.21 0.00 0.00 52.86 52.73 2xai s ASN 169 Cb -0.10 -0.28 0.16 0.00 -0.55 0.00 0.00 41.25 40.49 2xai s ASN 169 CO 0.03 0.26 0.40 -0.36 -2.79 0.00 0.00 177.10 174.64 2xai s PHE 170 N -0.59 2.49 0.15 0.43 0.08 -0.38 -4.94 117.98 115.22 2xai s PHE 170 Ca 0.09 -2.86 0.24 0.00 0.12 0.00 0.00 56.93 54.51 2xai s PHE 170 Cb -0.09 -1.98 1.30 0.00 -0.57 0.00 0.00 43.02 41.69 2xai s PHE 170 CO -0.00 -0.68 1.70 0.00 -0.10 0.00 0.00 175.22 176.14 2xai h ARG 171 N 5.68 0.00 0.00 0.44 -0.00 -1.86 -2.40 114.38 116.24 2xai h ARG 171 Ca 0.16 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.62 2xai h ARG 171 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.80 2xai h ARG 171 CO 0.57 0.00 -1.96 0.39 0.00 0.00 0.00 179.97 178.96 2xai n GLU 172 N -2.43 0.64 -3.71 0.04 -0.58 -1.26 -4.68 120.64 108.66 2xai n GLU 172 Ca -0.02 -0.17 -0.38 0.00 -0.42 0.00 0.00 57.16 56.17 2xai n GLU 172 Cb 0.19 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.45 2xai n GLU 172 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2xai s ILE 173 N -3.35 4.33 0.62 -3.67 1.01 -0.91 -4.94 121.20 114.28 2xai s ILE 173 Ca -0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 2xai s ILE 173 Cb 0.13 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 2xai s ILE 173 CO 0.84 0.13 1.04 -2.16 0.00 0.00 0.00 174.94 174.80 2xai s PRO 174 N 1.58 3.38 0.22 2.79 0.04 -1.26 -0.66 135.00 141.08 2xai s PRO 174 Ca 0.04 0.98 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 2xai s PRO 174 Cb -0.17 -2.05 0.29 0.00 0.04 0.00 0.00 34.50 32.61 2xai s PRO 174 CO 0.04 -0.74 1.79 0.66 0.04 0.00 0.00 177.00 178.79 2xai h SER 175 N 0.01 0.47 0.21 6.66 4.64 -1.96 0.35 113.55 123.94 2xai h SER 175 Ca -0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2xai h SER 175 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2xai h SER 175 CO 0.59 0.29 0.00 1.12 -0.87 0.00 0.00 176.83 177.95 2xai h HIS 176 N 0.61 0.00 0.05 4.77 2.07 -2.01 -0.98 115.15 119.65 2xai h HIS 176 Ca 0.32 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.50 2xai h HIS 176 Cb 0.29 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.23 2xai h HIS 176 CO -0.10 0.00 -1.88 0.28 -3.07 0.00 0.00 177.93 173.15 2xai n VAL 177 N -2.92 1.62 0.02 6.12 0.31 -0.00 -4.22 118.33 119.26 2xai n VAL 177 Ca -0.02 -0.39 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 2xai n VAL 177 Cb 0.11 -1.82 0.26 0.00 -0.91 0.00 0.00 33.84 31.48 2xai n VAL 177 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2xai h LEU 178 N -0.47 0.45 0.37 7.52 5.85 -0.68 -1.88 115.31 126.47 2xai h LEU 178 Ca -0.46 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 2xai h LEU 178 Cb 1.70 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.62 2xai h LEU 178 CO -0.11 0.62 -0.18 0.77 -0.34 0.00 0.00 178.44 179.20 2xai h SER 179 N 0.43 -0.42 -1.00 1.25 4.64 -1.42 -1.82 113.55 115.20 2xai h SER 179 Ca 0.08 0.01 0.18 0.00 -0.47 0.00 0.00 61.79 61.58 2xai h SER 179 Cb 0.50 0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 62.60 2xai h SER 179 CO 0.03 -0.29 0.62 0.50 -0.87 0.00 0.00 176.83 176.82 2xai h LYS 180 N -0.51 0.77 -1.01 4.77 1.63 -1.67 0.53 116.57 121.09 2xai h LYS 180 Ca -0.05 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2xai h LYS 180 Cb 0.39 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 2xai h LYS 180 CO 0.08 0.51 0.66 0.28 -3.45 0.00 0.00 179.45 177.54 2xai h VAL 181 N 0.79 1.21 -0.56 2.00 2.07 -0.83 0.84 116.25 121.78 2xai h VAL 181 Ca 0.56 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 2xai h VAL 181 Cb 0.84 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2xai h VAL 181 CO -0.36 0.24 -0.01 0.00 0.02 0.00 0.00 177.57 177.46 2xai h MET 183 N 0.88 0.94 -0.36 0.00 2.07 -0.49 -1.26 114.93 116.70 2xai h MET 183 Ca 0.16 -0.28 -0.06 0.00 -2.07 0.00 0.00 59.70 57.44 2xai h MET 183 Cb 0.54 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.15 2xai h MET 183 CO 0.03 0.93 -0.04 -0.92 1.07 0.00 0.00 176.91 177.98 2xai h TYR 184 N 0.86 0.63 0.06 -0.22 3.20 -0.42 -0.10 116.97 120.97 2xai h TYR 184 Ca 0.16 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2xai h TYR 184 Cb 0.52 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2xai h TYR 184 CO 0.03 0.63 -0.06 0.74 -1.64 0.00 0.00 178.16 177.87 2xai h PHE 185 N 0.56 -0.15 -0.11 -3.82 0.04 -0.19 0.13 116.94 113.39 2xai h PHE 185 Ca 0.11 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.92 2xai h PHE 185 Cb 0.42 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 2xai h PHE 185 CO 0.02 -0.09 -0.15 1.15 -0.60 0.00 0.00 178.31 178.63 2xai h THR 186 N -0.13 0.61 -0.77 -1.55 2.02 -0.76 -1.64 112.91 110.69 2xai h THR 186 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2xai h THR 186 Cb 0.13 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 2xai h THR 186 CO -0.02 0.00 0.47 0.22 0.37 0.00 0.00 175.52 176.56 2xai h TYR 187 N -0.20 1.00 0.26 3.16 3.20 -0.79 -0.25 116.97 123.36 2xai h TYR 187 Ca 0.09 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2xai h TYR 187 Cb 0.32 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2xai h TYR 187 CO -0.26 0.66 -0.12 -0.22 -1.64 0.00 0.00 178.16 176.58 2xai h LYS 188 N 1.06 -0.34 -0.44 1.82 1.63 -0.33 -2.41 116.57 117.57 2xai h LYS 188 Ca 0.28 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.12 2xai h LYS 188 Cb -0.06 0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 2xai h LYS 188 CO -0.05 -0.01 0.27 0.28 -3.45 0.00 0.00 179.45 176.49 2xai h VAL 189 N -0.70 1.07 0.30 2.00 2.07 -1.04 -0.88 116.25 119.07 2xai h VAL 189 Ca -0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 2xai h VAL 189 Cb 0.48 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2xai h VAL 189 CO 0.06 0.10 -0.23 -0.09 0.02 0.00 0.00 177.57 177.42 2xai h ARG 190 N 0.55 -0.52 -0.26 1.57 9.65 -1.09 -3.13 114.38 121.15 2xai h ARG 190 Ca 0.17 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2xai h ARG 190 Cb -0.01 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2xai h ARG 190 CO -0.07 -0.35 0.00 0.66 2.80 0.00 0.00 179.97 183.02 2xai n TYR 191 N -5.36 0.34 0.59 2.20 4.01 -0.91 -4.28 117.16 113.76 2xai n TYR 191 Ca -0.09 -0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 2xai n TYR 191 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 2xai n TYR 191 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 2xai n THR 192 N 0.46 0.00 -2.66 -0.72 5.66 -0.34 -3.48 114.28 113.19 2xai n THR 192 Ca 0.14 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.10 2xai n THR 192 Cb 0.33 -0.31 0.01 0.00 -1.55 0.00 0.00 70.33 68.80 2xai n THR 192 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2xai n ASN 193 N -0.37 -1.27 0.00 1.09 5.15 -1.26 -5.08 115.26 113.52 2xai n ASN 193 Ca 0.00 -1.79 0.00 0.00 -0.60 0.00 0.00 54.58 52.19 2xai n ASN 193 Cb 0.01 1.02 0.00 0.00 -0.53 0.00 0.00 39.78 40.28 2xai n ASN 193 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2xai n SER 194 N -0.49 0.00 -4.71 1.20 2.88 -1.23 -5.19 113.62 106.09 2xai n SER 194 Ca -0.23 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.88 2xai n SER 194 Cb 0.68 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.12 2xai n SER 194 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2xai n GLU 197 N -1.10 2.37 -3.46 -1.46 4.07 -1.26 -5.04 120.64 114.77 2xai n GLU 197 Ca 0.00 0.84 -0.37 0.00 -0.06 0.00 0.00 57.16 57.57 2xai n GLU 197 Cb 0.00 -2.57 -0.07 0.00 -0.06 0.00 0.00 31.44 28.74 2xai n GLU 197 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2xai s ILE 198 N 0.03 5.25 0.34 6.31 1.01 -1.26 -5.08 121.20 127.80 2xai s ILE 198 Ca 0.67 0.65 -0.00 0.00 0.00 0.00 0.00 60.65 61.96 2xai s ILE 198 Cb -0.57 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2xai s ILE 198 CO 0.48 0.33 0.55 -2.16 0.00 0.00 0.00 174.94 174.15 2xai s PRO 199 N 0.80 3.50 0.42 2.79 0.04 -1.26 -5.05 135.00 136.25 2xai s PRO 199 Ca 0.18 -0.28 -0.26 0.00 0.04 0.00 0.00 61.00 60.68 2xai s PRO 199 Cb -0.14 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.65 2xai s PRO 199 CO 0.06 0.15 1.43 -0.85 0.04 0.00 0.00 177.00 177.84 2xai n GLU 200 N -1.68 2.37 -3.38 4.56 0.00 -1.26 -4.97 120.64 116.28 2xai n GLU 200 Ca -0.04 0.84 -0.45 0.00 0.00 0.00 0.00 57.16 57.51 2xai n GLU 200 Cb 0.56 -2.61 -0.05 0.00 0.00 0.00 0.00 31.44 29.33 2xai n GLU 200 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2xai s PHE 201 N -1.16 3.43 0.31 -1.84 5.36 -1.26 -5.06 117.98 117.76 2xai s PHE 201 Ca 0.58 -1.66 -0.29 0.00 -0.96 0.00 0.00 56.93 54.60 2xai s PHE 201 Cb -0.47 -3.73 -0.10 0.00 -0.34 0.00 0.00 43.02 38.38 2xai s PHE 201 CO 0.60 -1.00 1.38 -1.25 -1.46 0.00 0.00 175.22 173.49 2xai s PRO 202 N 1.07 4.28 -0.19 10.12 0.04 -1.26 -5.00 135.00 144.06 2xai s PRO 202 Ca 0.08 2.30 -0.04 0.00 0.04 0.00 0.00 61.00 63.38 2xai s PRO 202 Cb -0.23 -3.07 0.08 0.00 0.04 0.00 0.00 34.50 31.32 2xai s PRO 202 CO -0.01 -0.33 0.15 0.42 0.04 0.00 0.00 177.00 177.27 2xai s ILE 203 N -0.73 -0.20 0.31 0.56 1.01 -1.26 -5.14 121.20 115.76 2xai s ILE 203 Ca 0.53 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 2xai s ILE 203 Cb -0.42 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.32 2xai s ILE 203 CO 0.51 -0.26 1.35 0.00 0.00 0.00 0.00 174.94 176.54 2xai s ALA 204 N 2.22 3.53 0.26 9.38 0.00 -1.26 -4.91 121.76 130.99 2xai s ALA 204 Ca 0.04 1.30 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 2xai s ALA 204 Cb -0.16 -3.51 0.53 0.00 0.00 0.00 0.00 23.12 19.98 2xai s ALA 204 CO -0.11 -0.70 1.78 -1.35 0.00 0.00 0.00 175.76 175.38 2xai h PRO 205 N 3.74 0.68 -0.20 0.00 0.11 -2.00 -2.02 132.00 132.31 2xai h PRO 205 Ca -0.48 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.64 2xai h PRO 205 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2xai h PRO 205 CO 0.68 0.45 0.23 0.93 -0.21 0.00 0.00 178.00 180.08 2xai h GLU 206 N 0.70 0.00 -0.02 1.05 3.07 -2.06 -1.37 114.58 115.95 2xai h GLU 206 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2xai h GLU 206 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2xai h GLU 206 CO -0.33 0.00 -0.12 0.44 -1.40 0.00 0.00 179.01 177.59 2xai n ILE 207 N -3.73 0.00 -0.15 3.13 -6.64 -0.77 -4.72 119.36 106.48 2xai n ILE 207 Ca 0.02 -0.44 -0.09 0.00 -1.77 0.00 0.00 62.75 60.47 2xai n ILE 207 Cb 0.35 1.30 -0.01 0.00 -1.44 0.00 0.00 39.64 39.84 2xai n ILE 207 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2xai h ALA 208 N 3.16 0.56 0.18 -1.28 0.00 -1.11 -0.16 119.26 120.61 2xai h ALA 208 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2xai h ALA 208 Cb 0.65 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2xai h ALA 208 CO 0.00 0.25 -0.08 -0.07 0.00 0.00 0.00 179.25 179.34 2xai h LEU 209 N 0.55 -0.20 -1.83 0.00 3.38 -1.85 0.13 115.31 115.49 2xai h LEU 209 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2xai h LEU 209 Cb 0.33 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2xai h LEU 209 CO 0.00 -0.04 0.12 -0.33 0.09 0.00 0.00 178.44 178.28 2xai h GLU 210 N -0.35 0.22 -0.04 1.13 5.08 -1.86 -1.95 114.58 116.80 2xai h GLU 210 Ca -0.02 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 2xai h GLU 210 Cb 0.28 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.48 2xai h GLU 210 CO 0.04 0.15 -0.89 1.25 -1.00 0.00 0.00 179.01 178.56 2xai h LEU 211 N 0.23 0.67 0.13 1.33 5.85 -0.55 -2.49 115.31 120.47 2xai h LEU 211 Ca 0.07 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2xai h LEU 211 Cb -0.01 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.82 2xai h LEU 211 CO -0.01 1.28 -0.06 0.25 -0.34 0.00 0.00 178.44 179.56 2xai h LEU 212 N 0.33 -0.14 -0.67 2.25 5.85 -0.02 -0.59 115.31 122.31 2xai h LEU 212 Ca -0.07 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.66 2xai h LEU 212 Cb 1.51 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.49 2xai h LEU 212 CO 0.16 0.03 0.20 0.24 -0.34 0.00 0.00 178.44 178.73 2xai h MET 213 N -0.31 0.32 0.09 1.25 2.86 -1.47 0.20 114.93 117.87 2xai h MET 213 Ca -0.02 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2xai h MET 213 Cb 0.25 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2xai h MET 213 CO 0.03 0.21 -0.12 0.00 1.06 0.00 0.00 176.91 178.09 2xai h ALA 214 N 1.52 -0.21 -0.96 6.32 0.00 -1.16 0.30 119.26 125.06 2xai h ALA 214 Ca 0.36 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.33 2xai h ALA 214 Cb 0.55 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2xai h ALA 214 CO -0.41 -0.64 0.62 0.00 0.00 0.00 0.00 179.25 178.82 2xai h ALA 215 N 0.64 1.49 0.08 0.00 0.00 -0.38 0.40 119.26 121.50 2xai h ALA 215 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2xai h ALA 215 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2xai h ALA 215 CO -0.06 0.34 -0.04 -0.97 0.00 0.00 0.00 179.25 178.53 2xai h ASN 216 N 1.06 -0.09 -0.65 0.00 -1.24 -0.10 0.11 115.58 114.67 2xai h ASN 216 Ca 0.43 -0.10 -0.07 0.00 0.71 0.00 0.00 56.30 57.26 2xai h ASN 216 Cb 0.27 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 2xai h ASN 216 CO -0.18 0.05 0.13 0.15 -1.29 0.00 0.00 177.43 176.28 2xai h PHE 217 N -0.23 1.14 -0.00 0.67 3.57 -0.25 -2.60 116.94 119.23 2xai h PHE 217 Ca -0.01 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.34 2xai h PHE 217 Cb 0.19 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2xai h PHE 217 CO -0.03 0.95 -0.07 1.28 -2.23 0.00 0.00 178.31 178.20 2xai n LEU 218 N -4.22 0.28 -3.54 0.59 4.77 0.14 -4.72 117.00 110.30 2xai n LEU 218 Ca 0.05 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.92 2xai n LEU 218 Cb 0.28 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2xai n LEU 218 CO 0.42 0.05 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.86 2xai n ASP 219 N -1.08 -5.89 0.00 -1.43 2.03 0.36 -2.50 116.55 108.04 2xai n ASP 219 Ca 0.15 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.69 2xai n ASP 219 Cb 0.26 -3.53 0.00 0.00 -0.72 0.00 0.00 41.12 37.13 2xai n ASP 219 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28