#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny9 s GLN 161 N 0.00 3.40 -0.07 -0.99 -0.21 -1.26 -4.97 119.66 115.56 1ny9 s GLN 161 Ca 0.00 1.33 -0.25 0.00 0.02 0.00 0.00 55.36 56.46 1ny9 s GLN 161 Cb 0.00 -2.04 -0.25 0.00 1.00 0.00 0.00 33.01 31.72 1ny9 s GLN 161 CO 0.00 -0.76 0.96 0.00 -2.12 0.00 0.00 175.29 173.37 1ny9 h ARG 162 N 0.83 0.15 -5.96 2.91 3.08 -2.08 -3.48 114.38 109.82 1ny9 h ARG 162 Ca -0.48 -0.18 -0.34 0.00 0.07 0.00 0.00 59.98 59.05 1ny9 h ARG 162 Cb 1.23 0.06 0.10 0.00 0.08 0.00 0.00 29.97 31.44 1ny9 h ARG 162 CO 0.57 0.98 -0.82 -0.89 -1.07 0.00 0.00 179.97 178.74 1ny9 n ILE 163 N -4.48 -7.08 -0.02 2.04 5.41 -1.26 -4.93 119.36 109.03 1ny9 n ILE 163 Ca -0.10 -0.93 -0.05 0.00 1.00 0.00 0.00 62.75 62.66 1ny9 n ILE 163 Cb 0.54 -5.13 -0.02 0.00 -0.71 0.00 0.00 39.64 34.32 1ny9 n ILE 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ny9 n GLN 164 N -3.57 0.10 -0.36 0.38 1.13 -1.26 -4.45 117.38 109.35 1ny9 n GLN 164 Ca -0.09 0.04 0.02 0.00 -1.94 0.00 0.00 57.00 55.03 1ny9 n GLN 164 Cb 0.59 -0.67 0.18 0.00 0.11 0.00 0.00 30.24 30.45 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1ny9 h ASP 165 N -0.17 1.04 -0.23 1.08 5.19 -1.98 0.41 116.42 121.76 1ny9 h ASP 165 Ca -0.12 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.29 1ny9 h ASP 165 Cb 1.08 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1ny9 h ASP 165 CO -0.07 0.69 0.12 -0.33 -3.12 0.00 0.00 179.24 176.52 1ny9 h GLU 166 N 1.19 0.32 -0.47 3.56 5.08 -1.98 0.11 114.58 122.39 1ny9 h GLU 166 Ca 0.41 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1ny9 h GLU 166 Cb 0.10 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1ny9 h GLU 166 CO -0.15 0.31 0.25 0.00 -1.00 0.00 0.00 179.01 178.42 1ny9 h ALA 167 N 1.00 0.61 -0.11 3.43 0.00 -1.65 -1.95 119.26 120.59 1ny9 h ALA 167 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ny9 h ALA 167 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ny9 h ALA 167 CO -0.01 0.14 0.02 -0.44 0.00 0.00 0.00 179.25 178.95 1ny9 h ASP 168 N 0.62 0.13 -0.30 0.00 5.19 -0.45 -0.19 116.42 121.42 1ny9 h ASP 168 Ca 0.17 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1ny9 h ASP 168 Cb 0.07 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.53 1ny9 h ASP 168 CO -0.03 0.15 0.14 -0.08 -3.12 0.00 0.00 179.24 176.30 1ny9 h GLU 169 N 0.15 0.49 -0.34 3.56 4.81 0.01 -2.16 114.58 121.09 1ny9 h GLU 169 Ca 0.04 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1ny9 h GLU 169 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1ny9 h GLU 169 CO -0.00 0.40 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.51 1ny9 h LEU 170 N 0.49 0.67 -0.12 1.64 3.38 -0.87 -1.27 115.31 119.23 1ny9 h LEU 170 Ca 0.12 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1ny9 h LEU 170 Cb 0.10 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1ny9 h LEU 170 CO -0.01 0.89 -0.25 0.74 0.09 0.00 0.00 178.44 179.90 1ny9 h THR 171 N 0.44 0.41 -0.82 0.22 2.02 -1.14 2.00 112.91 116.06 1ny9 h THR 171 Ca 0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.36 1ny9 h THR 171 Cb 0.61 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 1ny9 h THR 171 CO 0.04 0.00 0.53 -0.09 0.37 0.00 0.00 175.52 176.37 1ny9 h ARG 172 N -0.32 0.72 -0.19 6.66 2.43 -1.41 1.61 114.38 123.87 1ny9 h ARG 172 Ca 0.10 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1ny9 h ARG 172 Cb 0.46 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ny9 h ARG 172 CO -0.30 0.48 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.43 1ny9 h ARG 173 N 0.74 0.41 -0.14 0.20 1.12 0.10 0.58 114.38 117.40 1ny9 h ARG 173 Ca 0.38 -0.19 -0.01 0.00 -1.11 0.00 0.00 59.98 59.05 1ny9 h ARG 173 Cb 0.48 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 1ny9 h ARG 173 CO -0.15 0.72 0.03 0.74 -3.11 0.00 0.00 179.97 178.20 1ny9 h PHE 174 N 0.10 0.23 -0.84 2.20 -1.00 0.51 -2.18 116.94 115.95 1ny9 h PHE 174 Ca 0.04 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1ny9 h PHE 174 Cb 0.61 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.06 1ny9 h PHE 174 CO 0.07 0.39 0.53 0.28 -1.61 0.00 0.00 178.31 177.97 1ny9 h VAL 175 N 0.01 1.23 -0.66 -0.55 2.07 0.23 0.33 116.25 118.91 1ny9 h VAL 175 Ca 0.04 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1ny9 h VAL 175 Cb 0.28 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1ny9 h VAL 175 CO 0.00 0.23 0.44 0.00 0.02 0.00 0.00 177.57 178.26 1ny9 h ALA 176 N 1.44 1.97 -0.37 1.67 0.00 0.65 0.19 119.26 124.81 1ny9 h ALA 176 Ca 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1ny9 h ALA 176 Cb -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1ny9 h ALA 176 CO -0.06 -0.12 0.15 -0.07 0.00 0.00 0.00 179.25 179.15 1ny9 h LEU 177 N 0.48 0.51 -0.64 0.00 3.38 0.24 -1.89 115.31 117.39 1ny9 h LEU 177 Ca 0.31 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1ny9 h LEU 177 Cb 0.56 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1ny9 h LEU 177 CO -0.09 0.53 0.37 0.24 0.09 0.00 0.00 178.44 179.58 1ny9 h MET 178 N 0.46 0.67 -0.66 1.13 2.86 -0.18 0.32 114.93 119.53 1ny9 h MET 178 Ca 0.12 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 1ny9 h MET 178 Cb 0.18 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.61 1ny9 h MET 178 CO -0.01 0.45 0.28 0.22 1.06 0.00 0.00 176.91 178.90 1ny9 h ASP 179 N 0.69 0.31 1.36 1.22 3.58 -0.17 0.86 116.42 124.28 1ny9 h ASP 179 Ca 0.28 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1ny9 h ASP 179 Cb 0.12 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1ny9 h ASP 179 CO -0.15 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 176.38 1ny9 h ALA 180 N 1.43 1.00 -5.17 -0.78 0.00 -0.77 -3.46 119.26 111.52 1ny9 h ALA 180 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.90 1ny9 h ALA 180 Cb 0.40 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.31 1ny9 h ALA 180 CO -0.30 0.00 -0.58 0.41 0.00 0.00 0.00 179.25 178.77 1ny9 n GLY 181 N 0.90 -0.34 3.74 0.00 0.00 0.30 -4.97 105.19 104.82 1ny9 n GLY 181 Ca 0.04 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ny9 n GLY 181 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ny9 s GLU 182 N -6.13 1.04 -0.17 1.61 -1.05 -0.88 -4.96 118.70 108.17 1ny9 s GLU 182 Ca 0.50 0.52 -0.29 0.00 -0.15 0.00 0.00 54.97 55.55 1ny9 s GLU 182 Cb -0.22 -1.81 -0.01 0.00 -0.44 0.00 0.00 34.13 31.65 1ny9 s GLU 182 CO 0.63 -2.31 1.21 -1.25 0.95 0.00 0.00 175.26 174.48 1ny9 s PRO 183 N -5.08 4.25 0.38 -4.83 0.04 -1.26 -4.84 135.00 123.66 1ny9 s PRO 183 Ca 0.64 1.60 0.15 0.00 0.04 0.00 0.00 61.00 63.42 1ny9 s PRO 183 Cb -0.17 -3.72 0.80 0.00 0.04 0.00 0.00 34.50 31.45 1ny9 s PRO 183 CO 0.56 -0.66 1.36 0.00 0.04 0.00 0.00 177.00 178.29 1ny9 h ALA 184 N 7.97 1.24 -0.34 8.56 0.00 -1.94 2.54 119.26 137.29 1ny9 h ALA 184 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ny9 h ALA 184 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ny9 h ALA 184 CO 0.96 -0.24 0.00 -3.47 0.00 0.00 0.00 179.25 176.50 1ny9 n ASP 185 N -2.16 3.06 -4.71 0.00 -0.08 -1.26 -3.91 116.55 107.48 1ny9 n ASP 185 Ca -0.01 -2.33 -0.42 0.00 -1.51 0.00 0.00 54.79 50.52 1ny9 n ASP 185 Cb 0.36 -0.48 -0.03 0.00 2.34 0.00 0.00 41.12 43.30 1ny9 n ASP 185 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ny9 s SER 186 N -0.62 6.86 0.30 1.67 0.15 0.85 -4.69 113.70 118.22 1ny9 s SER 186 Ca 0.29 2.27 0.05 0.00 0.70 0.00 0.00 55.95 59.26 1ny9 s SER 186 Cb 0.19 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.71 1ny9 s SER 186 CO 0.12 -0.63 1.66 -0.33 1.20 0.00 0.00 173.24 175.26 1ny9 h GLU 187 N 6.86 0.28 -0.29 5.44 3.07 -1.90 3.89 114.58 131.92 1ny9 h GLU 187 Ca -0.42 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.39 1ny9 h GLU 187 Cb 1.21 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1ny9 h GLU 187 CO 0.86 0.18 0.06 0.78 -1.40 0.00 0.00 179.01 179.49 1ny9 h GLY 188 N 0.29 0.51 0.73 -3.84 0.00 -1.95 2.66 103.07 101.46 1ny9 h GLY 188 Ca 0.59 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1ny9 h GLY 188 CO -0.61 0.30 -0.19 0.00 0.00 0.00 0.00 176.54 176.05 1ny9 h ALA 189 N 0.89 -0.52 -0.84 3.60 0.00 0.61 0.16 119.26 123.17 1ny9 h ALA 189 Ca 0.09 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ny9 h ALA 189 Cb 0.31 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ny9 h ALA 189 CO 0.00 -0.65 0.55 0.52 0.00 0.00 0.00 179.25 179.67 1ny9 h MET 190 N -0.80 1.07 -0.71 0.00 2.07 0.70 0.60 114.93 117.86 1ny9 h MET 190 Ca -0.05 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.57 1ny9 h MET 190 Cb 0.53 -0.24 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 1ny9 h MET 190 CO 0.09 0.71 0.47 0.22 1.07 0.00 0.00 176.91 179.47 1ny9 h ASP 191 N 1.10 0.67 -0.48 1.22 3.58 0.48 0.81 116.42 123.81 1ny9 h ASP 191 Ca 0.31 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.73 1ny9 h ASP 191 Cb -0.09 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1ny9 h ASP 191 CO -0.08 0.44 0.16 0.00 -2.88 0.00 0.00 179.24 176.88 1ny9 h ALA 192 N 1.61 0.63 -0.56 -0.78 0.00 0.30 0.57 119.26 121.01 1ny9 h ALA 192 Ca 0.30 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ny9 h ALA 192 Cb 0.21 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1ny9 h ALA 192 CO -0.10 0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.66 1ny9 h ALA 193 N 1.01 0.72 -0.14 0.00 0.00 0.47 2.23 119.26 123.56 1ny9 h ALA 193 Ca 0.16 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ny9 h ALA 193 Cb 0.25 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1ny9 h ALA 193 CO -0.01 -0.15 0.03 1.49 0.00 0.00 0.00 179.25 180.62 1ny9 h GLU 194 N 0.45 0.09 -0.27 0.00 4.57 0.19 0.39 114.58 120.00 1ny9 h GLU 194 Ca 0.27 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1ny9 h GLU 194 Cb 0.26 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1ny9 h GLU 194 CO -0.24 0.06 0.14 0.22 -1.18 0.00 0.00 179.01 178.01 1ny9 h ASP 195 N 0.09 0.34 -0.10 1.04 1.82 0.19 -1.15 116.42 118.65 1ny9 h ASP 195 Ca 0.06 -0.09 0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1ny9 h ASP 195 Cb 0.05 -0.09 -0.06 0.00 0.68 0.00 0.00 39.33 39.91 1ny9 h ASP 195 CO -0.08 0.33 -0.50 -0.74 -1.61 0.00 0.00 179.24 176.65 1ny9 h HIS 196 N 0.31 -1.45 -0.98 0.28 2.76 0.42 0.05 115.15 116.55 1ny9 h HIS 196 Ca 0.09 0.05 0.12 0.00 -2.20 0.00 0.00 60.37 58.44 1ny9 h HIS 196 Cb 0.07 0.65 -0.08 0.00 1.55 0.00 0.00 27.41 29.60 1ny9 h HIS 196 CO -0.03 -0.53 0.61 -0.09 -1.30 0.00 0.00 177.93 176.59 1ny9 h ARG 197 N -0.58 0.94 -0.63 5.26 2.43 -0.78 -1.49 114.38 119.52 1ny9 h ARG 197 Ca 0.04 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ny9 h ARG 197 Cb 0.68 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1ny9 h ARG 197 CO -0.40 0.62 0.38 0.37 -1.51 0.00 0.00 179.97 179.43 1ny9 h GLN 198 N 0.97 0.73 -0.55 0.20 5.75 0.26 -0.95 115.11 121.50 1ny9 h GLN 198 Ca 0.49 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.83 1ny9 h GLN 198 Cb 0.48 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1ny9 h GLN 198 CO -0.27 0.48 -0.10 0.78 -2.65 0.00 0.00 178.83 177.07 1ny9 h GLY 199 N 0.75 1.13 0.79 2.39 0.00 -0.18 -0.95 103.07 107.00 1ny9 h GLY 199 Ca 0.26 -0.91 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 1ny9 h GLY 199 CO -0.12 0.83 -0.34 -2.22 0.00 0.00 0.00 176.54 174.70 1ny9 h ILE 200 N 0.93 0.14 -0.76 2.60 2.04 -0.96 -2.48 117.51 119.01 1ny9 h ILE 200 Ca 0.14 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.87 1ny9 h ILE 200 Cb 0.67 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 1ny9 h ILE 200 CO 0.05 0.02 0.50 0.00 0.00 0.00 0.00 178.15 178.72 1ny9 h ALA 201 N -1.05 1.98 -0.57 1.87 0.00 -1.22 0.26 119.26 120.54 1ny9 h ALA 201 Ca -0.10 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ny9 h ALA 201 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ny9 h ALA 201 CO 0.16 -0.17 0.16 -0.09 0.00 0.00 0.00 179.25 179.31 1ny9 h ARG 202 N 0.52 0.90 0.09 0.00 2.43 -1.01 -2.38 114.38 114.94 1ny9 h ARG 202 Ca 0.37 -0.20 -0.26 0.00 -0.81 0.00 0.00 59.98 59.08 1ny9 h ARG 202 Cb 0.70 -0.13 0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1ny9 h ARG 202 CO -0.13 0.82 -1.07 -0.97 -1.51 0.00 0.00 179.97 177.10 1ny9 h ASN 203 N 0.81 0.79 0.00 -3.80 -1.24 -0.80 -3.42 115.58 107.91 1ny9 h ASN 203 Ca 0.18 -0.82 0.00 0.00 0.71 0.00 0.00 56.30 56.37 1ny9 h ASN 203 Cb 0.31 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.11 1ny9 h ASN 203 CO -0.00 1.52 0.00 1.41 -1.29 0.00 0.00 177.43 179.07 1ny9 n HIS 204 N -3.91 0.00 0.07 0.67 8.25 0.83 -5.07 115.22 116.07 1ny9 n HIS 204 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1ny9 n HIS 204 Cb 0.91 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 1ny9 n HIS 204 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ny9 n TYR 205 N 0.00 -2.74 -2.86 4.41 4.01 -0.90 -5.02 117.16 114.06 1ny9 n TYR 205 Ca 0.00 0.47 -0.12 0.00 -0.16 0.00 0.00 57.90 58.09 1ny9 n TYR 205 Cb 0.00 1.46 0.04 0.00 -0.31 0.00 0.00 39.34 40.53 1ny9 n TYR 205 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ny9 n ASP 206 N -2.83 -0.41 -4.68 7.72 8.00 -1.26 -4.72 116.55 118.37 1ny9 n ASP 206 Ca 0.00 -3.04 -0.48 0.00 0.71 0.00 0.00 54.79 51.99 1ny9 n ASP 206 Cb 0.00 0.40 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 1ny9 n ASP 206 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ny9 s GLY 208 N 3.76 1.65 0.47 0.00 0.00 -1.26 -4.78 107.32 107.17 1ny9 s GLY 208 Ca 0.91 -1.36 0.22 0.00 0.00 0.00 0.00 44.72 44.49 1ny9 s GLY 208 CO 0.49 -1.22 1.89 -0.97 0.00 0.00 0.00 173.10 173.30 1ny9 h TYR 209 N 0.64 0.32 0.12 1.90 0.05 -1.98 0.23 116.97 118.25 1ny9 h TYR 209 Ca -0.45 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.34 1ny9 h TYR 209 Cb 1.26 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1ny9 h TYR 209 CO 0.42 0.09 -0.06 0.93 -1.05 0.00 0.00 178.16 178.50 1ny9 h GLU 210 N 0.25 -0.15 -0.22 4.88 4.39 -1.99 0.13 114.58 121.87 1ny9 h GLU 210 Ca 0.41 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 1ny9 h GLU 210 Cb 1.24 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1ny9 h GLU 210 CO -0.10 0.12 0.05 0.52 -1.16 0.00 0.00 179.01 178.44 1ny9 h MET 211 N -0.42 0.30 -0.62 2.33 2.86 -1.27 -0.30 114.93 117.82 1ny9 h MET 211 Ca -0.02 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1ny9 h MET 211 Cb 0.34 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1ny9 h MET 211 CO 0.03 0.29 0.01 1.25 1.06 0.00 0.00 176.91 179.54 1ny9 h HIS 212 N 0.30 1.17 -0.28 -0.22 6.17 -0.18 -2.02 115.15 120.09 1ny9 h HIS 212 Ca 0.07 -0.20 -0.02 0.00 0.71 0.00 0.00 60.37 60.93 1ny9 h HIS 212 Cb 0.12 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.73 1ny9 h HIS 212 CO 0.00 1.02 0.07 1.15 0.71 0.00 0.00 177.93 180.89 1ny9 h THR 213 N 0.99 1.14 -0.63 6.26 2.02 0.95 -2.18 112.91 121.45 1ny9 h THR 213 Ca 0.18 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1ny9 h THR 213 Cb 0.55 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1ny9 h THR 213 CO 0.03 0.17 0.34 0.00 0.37 0.00 0.00 175.52 176.43 1ny9 h LEU 215 N 0.87 0.87 -1.34 0.00 4.07 -1.30 -1.52 115.31 116.97 1ny9 h LEU 215 Ca 0.22 -0.12 0.22 0.00 0.08 0.00 0.00 57.88 58.29 1ny9 h LEU 215 Cb 0.02 -0.22 -0.08 0.00 1.08 0.00 0.00 40.66 41.45 1ny9 h LEU 215 CO -0.04 0.77 0.63 1.23 -1.08 0.00 0.00 178.44 179.95 1ny9 h GLY 216 N 1.03 1.20 0.98 0.83 0.00 -1.29 -0.68 103.07 105.14 1ny9 h GLY 216 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1ny9 h GLY 216 CO -0.02 -0.06 -0.28 0.83 0.00 0.00 0.00 176.54 177.01 1ny9 h GLU 217 N 0.49 -0.73 -0.16 4.80 5.08 -1.26 -2.38 114.58 120.43 1ny9 h GLU 217 Ca 0.54 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.96 1ny9 h GLU 217 Cb 1.21 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1ny9 h GLU 217 CO -0.26 -0.49 0.11 0.52 -1.00 0.00 0.00 179.01 177.88 1ny9 h MET 218 N -0.76 0.16 0.00 2.33 2.86 -1.20 4.03 114.93 122.35 1ny9 h MET 218 Ca -0.07 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1ny9 h MET 218 Cb 0.59 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1ny9 h MET 218 CO 0.11 0.10 0.00 0.66 1.06 0.00 0.00 176.91 178.84 1ny9 n TYR 219 N -4.51 0.00 0.00 -0.22 4.02 -0.61 -3.12 117.16 112.71 1ny9 n TYR 219 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ny9 n TYR 219 Cb 0.12 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 1ny9 n TYR 219 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1ny9 n VAL 220 N -1.30 0.00 0.27 -0.72 0.24 0.61 -4.64 118.33 112.79 1ny9 n VAL 220 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.44 1ny9 n VAL 220 Cb 0.01 0.00 0.33 0.00 -1.47 0.00 0.00 33.84 32.70 1ny9 n VAL 220 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1ny9 h SER 221 N 0.00 0.00 -4.08 -1.34 4.64 0.75 -3.40 113.55 110.12 1ny9 h SER 221 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1ny9 h SER 221 Cb 0.00 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.68 1ny9 h SER 221 CO 0.00 0.00 -0.64 -1.81 -0.87 0.00 0.00 176.83 173.51 1ny9 s ASP 222 N -5.91 4.24 0.40 4.97 1.01 -1.18 -4.93 116.67 115.27 1ny9 s ASP 222 Ca 0.06 -3.05 0.12 0.00 0.71 0.00 0.00 52.55 50.39 1ny9 s ASP 222 Cb 0.07 -1.53 0.67 0.00 1.01 0.00 0.00 42.92 43.14 1ny9 s ASP 222 CO 0.63 -0.22 1.27 -0.08 0.21 0.00 0.00 175.17 176.98 1ny9 h GLU 223 N 6.40 0.00 0.08 8.23 4.81 -1.82 0.43 114.58 132.71 1ny9 h GLU 223 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ny9 h GLU 223 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1ny9 h GLU 223 CO 0.66 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.90 1ny9 h ARG 224 N 0.00 -0.11 0.00 1.92 3.08 -1.91 -2.54 114.38 114.82 1ny9 h ARG 224 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ny9 h ARG 224 Cb 0.87 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.95 1ny9 h ARG 224 CO 0.00 0.29 -0.02 0.74 -1.07 0.00 0.00 179.97 179.92 1ny9 h PHE 225 N -0.54 0.01 -0.71 3.04 0.04 -1.20 -3.24 116.94 114.34 1ny9 h PHE 225 Ca -0.01 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.88 1ny9 h PHE 225 Cb 0.45 -0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.47 1ny9 h PHE 225 CO 0.06 0.88 -0.28 1.15 -0.60 0.00 0.00 178.31 179.52 1ny9 h THR 226 N -0.86 0.17 -0.86 -1.55 2.02 -1.43 0.18 112.91 110.59 1ny9 h THR 226 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1ny9 h THR 226 Cb 0.88 0.17 -0.09 0.00 -1.74 0.00 0.00 68.15 67.38 1ny9 h THR 226 CO 0.00 0.00 0.48 0.03 0.37 0.00 0.00 175.52 176.40 1ny9 h ARG 227 N -0.08 0.70 -0.03 6.66 3.08 -1.55 0.00 114.38 123.16 1ny9 h ARG 227 Ca 0.30 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 1ny9 h ARG 227 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ny9 h ARG 227 CO -0.76 0.46 -0.25 -0.91 -1.07 0.00 0.00 179.97 177.44 1ny9 h ASN 228 N 0.72 0.27 0.79 7.04 4.21 -0.76 -2.39 115.58 125.45 1ny9 h ASN 228 Ca 0.45 -0.71 -0.04 0.00 1.21 0.00 0.00 56.30 57.22 1ny9 h ASN 228 Cb 0.56 -0.08 0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1ny9 h ASN 228 CO -0.32 0.93 -0.39 0.40 -1.29 0.00 0.00 177.43 176.77 1ny9 h ILE 229 N -0.38 0.00 0.00 2.81 2.04 -0.76 -2.84 117.51 118.38 1ny9 h ILE 229 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ny9 h ILE 229 Cb 0.95 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1ny9 h ILE 229 CO 0.05 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.53 1ny9 n ASP 230 N -4.89 0.08 0.12 1.72 2.03 -0.04 -2.84 116.55 112.74 1ny9 n ASP 230 Ca -0.13 0.53 0.12 0.00 0.52 0.00 0.00 54.79 55.83 1ny9 n ASP 230 Cb 0.42 -0.54 0.63 0.00 -0.72 0.00 0.00 41.12 40.91 1ny9 n ASP 230 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ny9 h ALA 231 N 2.24 2.15 -0.00 -1.67 0.00 -1.16 0.67 119.26 121.48 1ny9 h ALA 231 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ny9 h ALA 231 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ny9 h ALA 231 CO 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 1ny9 n ALA 232 N -2.57 2.48 -3.65 0.00 0.00 -1.13 -4.84 120.51 110.80 1ny9 n ALA 232 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 1ny9 n ALA 232 Cb 0.29 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 1ny9 n ALA 232 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ny9 s LYS 233 N -2.70 0.03 0.17 0.00 1.02 0.23 -5.11 119.74 113.38 1ny9 s LYS 233 Ca 0.24 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.98 1ny9 s LYS 233 Cb 0.20 0.01 -0.08 0.00 -0.52 0.00 0.00 37.83 37.45 1ny9 s LYS 233 CO 0.49 -0.01 1.15 -1.25 -0.92 0.00 0.00 175.35 174.81 1ny9 s PRO 234 N 0.48 4.53 0.00 -1.68 0.04 -1.25 -3.29 135.00 133.83 1ny9 s PRO 234 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1ny9 s PRO 234 Cb -0.04 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1ny9 s PRO 234 CO -0.13 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1ny9 n GLY 235 N 2.22 1.59 0.36 0.56 0.00 -1.26 -4.83 105.19 103.83 1ny9 n GLY 235 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1ny9 n GLY 235 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ny9 h LEU 236 N 0.00 0.95 0.19 0.99 8.10 -1.88 -1.09 115.31 122.57 1ny9 h LEU 236 Ca 0.00 0.03 -0.00 0.00 0.11 0.00 0.00 57.88 58.02 1ny9 h LEU 236 Cb 0.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.04 1ny9 h LEU 236 CO 0.00 0.56 -0.15 0.00 -4.11 0.00 0.00 178.44 174.73 1ny9 h ALA 237 N 1.49 -0.33 -0.96 0.17 0.00 -1.88 -0.77 119.26 116.99 1ny9 h ALA 237 Ca 0.46 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.38 1ny9 h ALA 237 Cb 0.33 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1ny9 h ALA 237 CO -0.22 -0.70 0.61 0.00 0.00 0.00 0.00 179.25 178.93 1ny9 h ALA 238 N 0.43 1.33 -0.16 0.00 0.00 -1.62 0.40 119.26 119.63 1ny9 h ALA 238 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ny9 h ALA 238 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ny9 h ALA 238 CO -0.02 0.38 0.04 -0.92 0.00 0.00 0.00 179.25 178.73 1ny9 h TYR 239 N 1.10 0.26 -0.51 0.00 5.03 -0.79 -2.05 116.97 120.01 1ny9 h TYR 239 Ca 0.42 -0.03 0.06 0.00 2.58 0.00 0.00 58.73 61.75 1ny9 h TYR 239 Cb 0.19 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 1ny9 h TYR 239 CO -0.01 0.38 0.23 0.52 -1.32 0.00 0.00 178.16 177.95 1ny9 h MET 240 N 0.07 0.43 -0.72 1.82 2.86 -0.35 -0.07 114.93 118.97 1ny9 h MET 240 Ca 0.05 -0.03 0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1ny9 h MET 240 Cb 0.25 -0.10 -0.11 0.00 0.06 0.00 0.00 31.60 31.70 1ny9 h MET 240 CO -0.00 0.28 0.17 -0.09 1.06 0.00 0.00 176.91 178.34 1ny9 h ARG 241 N 0.44 0.26 -0.87 1.72 1.12 -0.61 0.56 114.38 117.01 1ny9 h ARG 241 Ca 0.23 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.10 1ny9 h ARG 241 Cb 0.19 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.05 1ny9 h ARG 241 CO -0.20 0.18 0.57 -0.44 -3.11 0.00 0.00 179.97 176.97 1ny9 h ASP 242 N 0.27 0.99 -0.44 -3.80 3.32 -0.35 -2.47 116.42 113.94 1ny9 h ASP 242 Ca 0.40 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 1ny9 h ASP 242 Cb 0.68 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1ny9 h ASP 242 CO -0.50 0.71 0.27 0.00 -1.72 0.00 0.00 179.24 178.01 1ny9 h ALA 243 N 1.46 0.57 0.47 3.45 0.00 0.12 -2.69 119.26 122.64 1ny9 h ALA 243 Ca 0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ny9 h ALA 243 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ny9 h ALA 243 CO -0.07 0.05 -0.29 0.82 0.00 0.00 0.00 179.25 179.75 1ny9 h ILE 244 N 0.59 0.40 -0.36 0.00 2.04 -0.68 -2.60 117.51 116.90 1ny9 h ILE 244 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1ny9 h ILE 244 Cb -0.01 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1ny9 h ILE 244 CO -0.03 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.25 1ny9 h LEU 245 N -0.73 0.44 -0.06 1.44 -0.00 -1.55 -0.23 115.31 114.63 1ny9 h LEU 245 Ca -0.05 -0.07 0.02 0.00 -0.00 0.00 0.00 57.88 57.77 1ny9 h LEU 245 Cb 0.60 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 1ny9 h LEU 245 CO 0.05 0.39 -0.03 0.00 -0.00 0.00 0.00 178.44 178.84 1ny9 h ALA 246 N 1.07 0.02 -0.43 1.53 0.00 -1.44 1.09 119.26 121.10 1ny9 h ALA 246 Ca 0.13 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ny9 h ALA 246 Cb 0.04 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ny9 h ALA 246 CO -0.02 -0.51 0.26 -0.97 0.00 0.00 0.00 179.25 178.01 1ny9 h ASN 247 N -0.03 0.42 -0.12 0.00 -1.24 -1.37 -1.41 115.58 111.82 1ny9 h ASN 247 Ca 0.04 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 1ny9 h ASN 247 Cb 0.09 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1ny9 h ASN 247 CO -0.08 0.30 0.06 0.00 -1.29 0.00 0.00 177.43 176.42 1ny9 h ALA 248 N 1.18 0.16 -0.44 1.57 0.00 -0.32 -2.70 119.26 118.71 1ny9 h ALA 248 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ny9 h ALA 248 Cb -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1ny9 h ALA 248 CO -0.07 -0.27 0.21 0.28 0.00 0.00 0.00 179.25 179.40 1ny9 h VAL 249 N 0.07 0.95 0.00 0.00 2.07 0.15 2.26 116.25 121.76 1ny9 h VAL 249 Ca 0.04 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ny9 h VAL 249 Cb 0.13 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1ny9 h VAL 249 CO -0.00 0.08 0.00 0.08 0.02 0.00 0.00 177.57 177.74 1ny9 h ARG 250 N 0.42 0.00 0.00 1.57 0.11 -1.16 -3.19 114.38 112.13 1ny9 h ARG 250 Ca 0.19 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.23 1ny9 h ARG 250 Cb 0.11 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 1ny9 h ARG 250 CO -0.14 0.00 -0.93 0.72 0.10 0.00 0.00 179.97 179.71 1ny9 n HIS 251 N -2.97 0.36 -3.06 4.08 8.25 0.09 -5.05 115.22 116.91 1ny9 n HIS 251 Ca -0.01 0.16 -0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1ny9 n HIS 251 Cb 0.16 -0.65 -0.00 0.00 1.12 0.00 0.00 29.99 30.62 1ny9 n HIS 251 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1ny9 n THR 252 N -4.50 -4.39 1.97 1.59 -1.04 0.74 -5.09 114.28 103.56 1ny9 n THR 252 Ca -0.15 0.81 0.16 0.00 -2.04 0.00 0.00 64.05 62.83 1ny9 n THR 252 Cb 0.46 -3.90 0.92 0.00 -1.82 0.00 0.00 70.33 66.00 1ny9 n THR 252 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62