#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny9 n GLN 161 N 0.00 0.00 -1.58 -0.99 1.13 -1.26 -5.11 117.38 109.57 1ny9 n GLN 161 Ca 0.00 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.61 1ny9 n GLN 161 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 1ny9 n GLN 161 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1ny9 n ARG 162 N 0.00 1.29 -1.07 -1.09 1.74 -1.26 -4.75 116.66 111.52 1ny9 n ARG 162 Ca 0.00 0.45 -0.25 0.00 -0.77 0.00 0.00 57.85 57.29 1ny9 n ARG 162 Cb 0.00 -1.84 -0.08 0.00 -1.02 0.00 0.00 32.46 29.52 1ny9 n ARG 162 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ny9 n ILE 163 N 0.46 3.41 -0.02 0.55 -0.00 -1.26 -3.91 119.36 118.58 1ny9 n ILE 163 Ca 0.11 -1.92 -0.05 0.00 -0.00 0.00 0.00 62.75 60.89 1ny9 n ILE 163 Cb 0.31 -2.27 -0.02 0.00 -0.00 0.00 0.00 39.64 37.66 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 3.20 0.10 -0.21 0.38 6.02 -1.26 -4.40 117.38 121.20 1ny9 n GLN 164 Ca 0.58 0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 57.57 1ny9 n GLN 164 Cb 0.48 -0.68 0.07 0.00 1.02 0.00 0.00 30.24 31.13 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ny9 h ASP 165 N -0.15 0.58 -0.28 1.08 3.32 -1.96 0.34 116.42 119.35 1ny9 h ASP 165 Ca -0.11 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1ny9 h ASP 165 Cb 1.10 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1ny9 h ASP 165 CO -0.07 0.40 0.15 -0.33 -1.72 0.00 0.00 179.24 177.67 1ny9 h GLU 166 N 0.71 0.39 -0.38 3.56 5.08 -1.84 0.15 114.58 122.26 1ny9 h GLU 166 Ca 0.26 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1ny9 h GLU 166 Cb 0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1ny9 h GLU 166 CO -0.12 0.35 0.19 0.00 -1.00 0.00 0.00 179.01 178.43 1ny9 h ALA 167 N 1.02 0.49 -0.25 3.43 0.00 -1.66 -2.38 119.26 119.91 1ny9 h ALA 167 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ny9 h ALA 167 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1ny9 h ALA 167 CO -0.02 0.03 0.10 -0.44 0.00 0.00 0.00 179.25 178.92 1ny9 h ASP 168 N 0.48 0.30 -0.33 0.00 3.32 0.15 -0.24 116.42 120.10 1ny9 h ASP 168 Ca 0.13 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1ny9 h ASP 168 Cb 0.09 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1ny9 h ASP 168 CO -0.02 0.28 0.14 -0.33 -1.72 0.00 0.00 179.24 177.59 1ny9 h GLU 169 N 0.35 0.55 -0.41 3.56 4.39 -0.19 -2.21 114.58 120.62 1ny9 h GLU 169 Ca 0.09 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1ny9 h GLU 169 Cb 0.08 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1ny9 h GLU 169 CO -0.01 0.47 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.09 1ny9 h LEU 170 N 0.54 0.84 -0.12 1.33 3.38 -0.85 -1.20 115.31 119.24 1ny9 h LEU 170 Ca 0.13 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1ny9 h LEU 170 Cb 0.13 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 1ny9 h LEU 170 CO -0.01 1.04 -0.24 0.74 0.09 0.00 0.00 178.44 180.06 1ny9 h THR 171 N 0.64 0.42 -0.87 0.22 2.02 -0.92 1.14 112.91 115.56 1ny9 h THR 171 Ca 0.10 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.36 1ny9 h THR 171 Cb 0.70 0.42 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 1ny9 h THR 171 CO 0.05 0.00 0.56 -0.09 0.37 0.00 0.00 175.52 176.42 1ny9 h ARG 172 N -0.31 0.87 -0.14 6.66 2.43 -1.40 0.89 114.38 123.37 1ny9 h ARG 172 Ca 0.10 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1ny9 h ARG 172 Cb 0.45 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1ny9 h ARG 172 CO -0.30 0.57 0.01 -0.09 -1.51 0.00 0.00 179.97 178.66 1ny9 h ARG 173 N 0.89 0.24 -0.19 0.20 9.65 0.81 0.69 114.38 126.68 1ny9 h ARG 173 Ca 0.39 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.18 1ny9 h ARG 173 Cb 0.35 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1ny9 h ARG 173 CO -0.16 0.45 0.03 0.74 2.80 0.00 0.00 179.97 183.83 1ny9 h PHE 174 N 0.00 0.33 -0.89 2.20 -1.00 0.25 -2.39 116.94 115.44 1ny9 h PHE 174 Ca 0.04 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ny9 h PHE 174 Cb 0.33 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 1ny9 h PHE 174 CO 0.03 0.46 0.56 0.28 -1.61 0.00 0.00 178.31 178.02 1ny9 h VAL 175 N 0.11 1.24 -0.74 -0.55 2.07 0.83 0.20 116.25 119.41 1ny9 h VAL 175 Ca 0.06 -0.49 0.09 0.00 0.82 0.00 0.00 66.70 67.18 1ny9 h VAL 175 Cb 0.31 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 1ny9 h VAL 175 CO 0.00 0.24 0.49 0.00 0.02 0.00 0.00 177.57 178.33 1ny9 h ALA 176 N 1.40 1.80 -0.44 1.67 0.00 0.79 0.13 119.26 124.61 1ny9 h ALA 176 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1ny9 h ALA 176 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1ny9 h ALA 176 CO -0.06 0.05 0.16 -0.07 0.00 0.00 0.00 179.25 179.33 1ny9 h LEU 177 N 0.67 0.62 -0.76 0.00 3.38 -0.13 -1.92 115.31 117.17 1ny9 h LEU 177 Ca 0.34 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1ny9 h LEU 177 Cb 0.44 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1ny9 h LEU 177 CO -0.12 0.63 0.45 0.24 0.09 0.00 0.00 178.44 179.73 1ny9 h MET 178 N 0.57 0.80 -0.72 1.13 2.86 -0.08 0.21 114.93 119.70 1ny9 h MET 178 Ca 0.15 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.85 1ny9 h MET 178 Cb 0.22 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 1ny9 h MET 178 CO -0.01 0.53 0.34 0.22 1.06 0.00 0.00 176.91 179.04 1ny9 h ASP 179 N 0.82 0.40 1.32 1.22 1.82 -0.24 1.05 116.42 122.82 1ny9 h ASP 179 Ca 0.33 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1ny9 h ASP 179 Cb 0.18 0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1ny9 h ASP 179 CO -0.18 0.21 0.00 0.00 -1.61 0.00 0.00 179.24 177.67 1ny9 h ALA 180 N 1.46 1.00 -5.36 -0.78 0.00 -0.93 -3.46 119.26 111.20 1ny9 h ALA 180 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.93 1ny9 h ALA 180 Cb 0.45 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.37 1ny9 h ALA 180 CO -0.31 0.00 -0.63 0.41 0.00 0.00 0.00 179.25 178.72 1ny9 n GLY 181 N 0.87 -0.38 3.74 0.00 0.00 0.36 -4.96 105.19 104.82 1ny9 n GLY 181 Ca 0.04 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -6.01 1.02 -0.15 1.61 -1.05 -1.00 -4.96 118.70 108.17 1ny9 s GLU 182 Ca 0.43 0.49 -0.29 0.00 -0.15 0.00 0.00 54.97 55.45 1ny9 s GLU 182 Cb -0.19 -1.81 -0.01 0.00 -0.44 0.00 0.00 34.13 31.68 1ny9 s GLU 182 CO 0.66 -2.32 1.19 -1.25 0.95 0.00 0.00 175.26 174.49 1ny9 s PRO 183 N -5.10 4.28 0.36 -4.83 0.04 -1.26 -4.84 135.00 123.65 1ny9 s PRO 183 Ca 0.64 1.59 0.14 0.00 0.04 0.00 0.00 61.00 63.41 1ny9 s PRO 183 Cb -0.17 -3.68 0.75 0.00 0.04 0.00 0.00 34.50 31.45 1ny9 s PRO 183 CO 0.55 -0.60 1.32 0.00 0.04 0.00 0.00 177.00 178.32 1ny9 h ALA 184 N 7.81 1.23 -0.34 8.56 0.00 -1.93 2.50 119.26 137.08 1ny9 h ALA 184 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ny9 h ALA 184 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ny9 h ALA 184 CO 0.94 -0.23 0.00 -3.47 0.00 0.00 0.00 179.25 176.49 1ny9 n ASP 185 N -2.12 3.04 -4.71 0.00 -0.08 -1.26 -4.04 116.55 107.39 1ny9 n ASP 185 Ca -0.01 -2.32 -0.42 0.00 -1.51 0.00 0.00 54.79 50.53 1ny9 n ASP 185 Cb 0.35 -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 -0.63 6.86 0.30 1.67 0.15 0.84 -4.72 113.70 118.16 1ny9 s SER 186 Ca 0.29 2.23 0.05 0.00 0.70 0.00 0.00 55.95 59.22 1ny9 s SER 186 Cb 0.19 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.72 1ny9 s SER 186 CO 0.12 -0.65 1.67 -0.08 1.20 0.00 0.00 173.24 175.50 1ny9 h GLU 187 N 7.13 0.32 -0.23 5.44 4.81 -1.90 3.74 114.58 133.88 1ny9 h GLU 187 Ca -0.41 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1ny9 h GLU 187 Cb 1.20 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1ny9 h GLU 187 CO 0.87 0.21 0.06 0.78 -0.73 0.00 0.00 179.01 180.20 1ny9 h GLY 188 N 0.33 0.39 0.70 1.92 0.00 -1.95 2.69 103.07 107.15 1ny9 h GLY 188 Ca 0.59 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 1ny9 h GLY 188 CO -0.58 0.23 -0.15 0.00 0.00 0.00 0.00 176.54 176.04 1ny9 h ALA 189 N 0.88 -0.41 -0.83 3.60 0.00 0.10 0.89 119.26 123.47 1ny9 h ALA 189 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ny9 h ALA 189 Cb 0.27 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1ny9 h ALA 189 CO 0.00 -0.58 0.55 0.52 0.00 0.00 0.00 179.25 179.74 1ny9 h MET 190 N -0.71 1.08 -0.73 0.00 2.07 0.67 0.50 114.93 117.81 1ny9 h MET 190 Ca -0.04 -0.07 0.06 0.00 -2.07 0.00 0.00 59.70 57.58 1ny9 h MET 190 Cb 0.49 -0.24 -0.05 0.00 -1.87 0.00 0.00 31.60 29.93 1ny9 h MET 190 CO 0.07 0.72 0.48 0.22 1.07 0.00 0.00 176.91 179.47 1ny9 h ASP 191 N 1.12 0.68 -0.60 1.22 1.82 0.49 0.79 116.42 121.94 1ny9 h ASP 191 Ca 0.31 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.91 1ny9 h ASP 191 Cb -0.11 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 39.74 1ny9 h ASP 191 CO -0.08 0.44 0.20 0.00 -1.61 0.00 0.00 179.24 178.20 1ny9 h ALA 192 N 1.60 0.78 -0.57 -0.78 0.00 0.23 0.25 119.26 120.77 1ny9 h ALA 192 Ca 0.31 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1ny9 h ALA 192 Cb 0.24 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1ny9 h ALA 192 CO -0.10 0.43 0.26 0.00 0.00 0.00 0.00 179.25 179.83 1ny9 h ALA 193 N 1.06 0.74 -0.34 0.00 0.00 0.46 1.49 119.26 122.68 1ny9 h ALA 193 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ny9 h ALA 193 Cb 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ny9 h ALA 193 CO -0.01 -0.12 0.18 1.49 0.00 0.00 0.00 179.25 180.79 1ny9 h GLU 194 N 0.48 0.35 -0.30 0.00 4.57 0.14 0.50 114.58 120.33 1ny9 h GLU 194 Ca 0.27 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1ny9 h GLU 194 Cb 0.26 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1ny9 h GLU 194 CO -0.23 0.23 0.17 0.22 -1.18 0.00 0.00 179.01 178.23 1ny9 h ASP 195 N 0.36 0.37 -0.09 1.04 3.58 0.14 -0.68 116.42 121.14 1ny9 h ASP 195 Ca 0.14 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.55 1ny9 h ASP 195 Cb 0.04 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 40.94 1ny9 h ASP 195 CO -0.09 0.34 -0.49 -0.74 -2.88 0.00 0.00 179.24 175.37 1ny9 h HIS 196 N 0.37 -1.43 -0.83 0.28 2.76 0.28 -0.82 115.15 115.76 1ny9 h HIS 196 Ca 0.11 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.43 1ny9 h HIS 196 Cb 0.04 0.64 -0.08 0.00 1.55 0.00 0.00 27.41 29.57 1ny9 h HIS 196 CO -0.04 -0.53 0.47 -0.09 -1.30 0.00 0.00 177.93 176.45 1ny9 h ARG 197 N -0.58 0.76 -0.73 5.26 2.43 -0.72 -1.77 114.38 119.03 1ny9 h ARG 197 Ca 0.05 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1ny9 h ARG 197 Cb 0.67 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 1ny9 h ARG 197 CO -0.40 0.50 0.46 0.37 -1.51 0.00 0.00 179.97 179.39 1ny9 h GLN 198 N 0.78 0.85 -0.49 0.20 5.75 0.20 -1.80 115.11 120.60 1ny9 h GLN 198 Ca 0.41 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.73 1ny9 h GLN 198 Cb 0.39 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1ny9 h GLN 198 CO -0.26 0.56 -0.19 0.78 -2.65 0.00 0.00 178.83 177.07 1ny9 h GLY 199 N 0.88 1.08 0.79 2.39 0.00 -0.38 -2.05 103.07 105.78 1ny9 h GLY 199 Ca 0.30 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1ny9 h GLY 199 CO -0.12 0.85 -0.34 -2.22 0.00 0.00 0.00 176.54 174.71 1ny9 h ILE 200 N 0.86 0.13 -0.65 2.60 2.04 -1.01 -2.94 117.51 118.55 1ny9 h ILE 200 Ca 0.12 -0.26 0.15 0.00 1.00 0.00 0.00 64.86 65.87 1ny9 h ILE 200 Cb 0.77 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1ny9 h ILE 200 CO 0.06 0.01 0.45 0.00 0.00 0.00 0.00 178.15 178.68 1ny9 h ALA 201 N -1.06 2.29 -0.63 1.87 0.00 -1.40 -1.02 119.26 119.30 1ny9 h ALA 201 Ca -0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ny9 h ALA 201 Cb 0.75 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1ny9 h ALA 201 CO 0.16 -0.46 0.23 -0.09 0.00 0.00 0.00 179.25 179.08 1ny9 h ARG 202 N 0.23 0.94 0.00 0.00 9.65 -1.19 -2.16 114.38 121.85 1ny9 h ARG 202 Ca 0.31 -0.16 -0.12 0.00 -1.10 0.00 0.00 59.98 58.91 1ny9 h ARG 202 Cb 0.91 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.32 1ny9 h ARG 202 CO -0.06 0.78 -0.59 -2.95 2.80 0.00 0.00 179.97 179.95 1ny9 h ASN 203 N 0.91 0.00 -0.48 -3.80 7.08 -1.08 -3.46 115.58 114.76 1ny9 h ASN 203 Ca 0.21 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.43 1ny9 h ASN 203 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.46 1ny9 h ASN 203 CO -0.01 0.59 0.00 1.57 -2.08 0.00 0.00 177.43 177.49 1ny9 n HIS 204 N -3.43 0.00 -2.78 4.14 -0.00 -0.81 -5.13 115.22 107.22 1ny9 n HIS 204 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.16 1ny9 n HIS 204 Cb 0.69 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 30.58 1ny9 n HIS 204 CO 0.00 0.00 0.00 -0.47 0.46 0.00 0.00 176.34 176.33 1ny9 s TYR 205 N 2.27 -1.04 0.00 1.57 5.04 -1.25 -4.89 117.35 119.04 1ny9 s TYR 205 Ca 0.00 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.38 1ny9 s TYR 205 Cb 0.00 0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1ny9 s TYR 205 CO 0.00 -0.80 0.00 -3.47 -1.34 0.00 0.00 175.55 169.94 1ny9 n ASP 206 N 3.04 2.53 -3.93 4.32 2.03 -1.26 -5.16 116.55 118.13 1ny9 n ASP 206 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1ny9 n ASP 206 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1ny9 n ASP 206 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ny9 n GLY 208 N 0.36 -1.49 0.34 0.00 0.00 -1.26 -4.85 105.19 98.29 1ny9 n GLY 208 Ca 0.00 0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.51 1ny9 n GLY 208 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ny9 h TYR 209 N 0.00 0.99 0.15 1.61 0.05 -1.97 0.81 116.97 118.62 1ny9 h TYR 209 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1ny9 h TYR 209 Cb 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.44 1ny9 h TYR 209 CO 0.00 0.27 -0.07 0.93 -1.05 0.00 0.00 178.16 178.24 1ny9 h GLU 210 N 0.78 -0.20 -0.11 4.88 5.08 -1.98 0.70 114.58 123.73 1ny9 h GLU 210 Ca 0.52 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.87 1ny9 h GLU 210 Cb 0.72 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1ny9 h GLU 210 CO -0.35 0.08 -0.07 1.98 -1.00 0.00 0.00 179.01 179.65 1ny9 h MET 211 N -0.47 0.17 -0.16 2.33 4.05 -1.66 0.23 114.93 119.42 1ny9 h MET 211 Ca -0.02 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 1ny9 h MET 211 Cb 0.37 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1ny9 h MET 211 CO 0.03 0.25 -0.10 1.25 0.23 0.00 0.00 176.91 178.58 1ny9 h HIS 212 N 0.16 0.41 -0.29 1.39 6.17 0.11 -2.76 115.15 120.34 1ny9 h HIS 212 Ca 0.04 -0.11 -0.02 0.00 0.71 0.00 0.00 60.37 60.99 1ny9 h HIS 212 Cb 0.24 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 1ny9 h HIS 212 CO 0.00 0.69 0.08 1.15 0.71 0.00 0.00 177.93 180.57 1ny9 h THR 213 N 0.01 1.13 -0.71 6.26 2.02 0.14 -2.13 112.91 119.64 1ny9 h THR 213 Ca 0.03 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1ny9 h THR 213 Cb 0.60 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1ny9 h THR 213 CO 0.03 0.16 0.41 0.00 0.37 0.00 0.00 175.52 176.50 1ny9 h LEU 215 N 0.98 0.72 -0.85 0.00 4.07 -1.21 -1.99 115.31 117.02 1ny9 h LEU 215 Ca 0.25 -0.09 0.15 0.00 0.08 0.00 0.00 57.88 58.27 1ny9 h LEU 215 Cb -0.02 -0.18 -0.09 0.00 1.08 0.00 0.00 40.66 41.44 1ny9 h LEU 215 CO -0.05 0.65 0.44 1.23 -1.08 0.00 0.00 178.44 179.64 1ny9 h GLY 216 N 0.91 1.39 0.99 0.83 0.00 -1.10 0.79 103.07 106.89 1ny9 h GLY 216 Ca 0.18 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1ny9 h GLY 216 CO -0.02 -0.03 -0.33 0.83 0.00 0.00 0.00 176.54 176.99 1ny9 h GLU 217 N 0.63 -0.87 -0.15 4.80 5.08 -1.29 -2.42 114.58 120.36 1ny9 h GLU 217 Ca 0.47 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1ny9 h GLU 217 Cb 0.65 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1ny9 h GLU 217 CO -0.36 -0.58 0.10 0.52 -1.00 0.00 0.00 179.01 177.69 1ny9 h MET 218 N -0.90 0.20 0.00 2.33 2.86 -1.34 4.22 114.93 122.29 1ny9 h MET 218 Ca -0.09 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1ny9 h MET 218 Cb 0.70 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1ny9 h MET 218 CO 0.14 0.14 0.00 0.66 1.06 0.00 0.00 176.91 178.91 1ny9 n TYR 219 N -4.51 0.00 0.00 -0.22 4.02 0.21 -3.06 117.16 113.60 1ny9 n TYR 219 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1ny9 n TYR 219 Cb 0.08 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 1ny9 n TYR 219 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 1ny9 n VAL 220 N -1.39 0.00 0.71 -0.72 3.14 0.43 -4.58 118.33 115.93 1ny9 n VAL 220 Ca 0.01 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.51 1ny9 n VAL 220 Cb 0.03 0.00 0.48 0.00 -1.06 0.00 0.00 33.84 33.29 1ny9 n VAL 220 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1ny9 n SER 221 N -1.35 0.41 -3.83 6.55 3.41 1.36 -4.47 113.62 115.70 1ny9 n SER 221 Ca 0.00 0.55 -0.30 0.00 -0.26 0.00 0.00 58.87 58.86 1ny9 n SER 221 Cb 0.00 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.16 1ny9 n SER 221 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ny9 s ASP 222 N -3.76 3.99 0.49 4.04 1.01 -1.21 -4.92 116.67 116.31 1ny9 s ASP 222 Ca 0.11 -2.79 0.16 0.00 0.71 0.00 0.00 52.55 50.73 1ny9 s ASP 222 Cb 0.14 -1.33 0.85 0.00 1.01 0.00 0.00 42.92 43.59 1ny9 s ASP 222 CO 0.50 -0.25 1.41 -0.33 0.21 0.00 0.00 175.17 176.71 1ny9 h GLU 223 N 6.65 0.00 0.05 8.23 5.08 -1.84 0.17 114.58 132.92 1ny9 h GLU 223 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ny9 h GLU 223 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1ny9 h GLU 223 CO 0.58 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.57 1ny9 h ARG 224 N 0.00 -0.06 0.00 2.33 3.08 -1.92 -2.58 114.38 115.24 1ny9 h ARG 224 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ny9 h ARG 224 Cb 0.93 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1ny9 h ARG 224 CO 0.00 0.36 -0.00 0.74 -1.07 0.00 0.00 179.97 180.00 1ny9 h PHE 225 N -0.50 -0.00 -0.71 3.04 0.04 -0.98 -3.29 116.94 114.53 1ny9 h PHE 225 Ca -0.01 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 1ny9 h PHE 225 Cb 0.45 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.46 1ny9 h PHE 225 CO 0.07 0.94 -0.27 1.15 -0.60 0.00 0.00 178.31 179.60 1ny9 h THR 226 N -0.98 0.19 -0.97 -1.55 2.02 -1.09 0.11 112.91 110.64 1ny9 h THR 226 Ca -0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 1ny9 h THR 226 Cb 0.94 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 1ny9 h THR 226 CO 0.00 0.00 0.58 0.03 0.37 0.00 0.00 175.52 176.50 1ny9 h ARG 227 N -0.07 0.81 -0.03 6.66 3.08 -1.58 -0.51 114.38 122.74 1ny9 h ARG 227 Ca 0.31 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.25 1ny9 h ARG 227 Cb 0.56 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1ny9 h ARG 227 CO -0.76 0.54 -0.23 -2.95 -1.07 0.00 0.00 179.97 175.50 1ny9 h ASN 228 N 0.84 0.25 0.85 7.04 -1.07 -0.88 -2.67 115.58 119.94 1ny9 h ASN 228 Ca 0.52 -0.70 -0.04 0.00 0.07 0.00 0.00 56.30 56.15 1ny9 h ASN 228 Cb 0.66 -0.08 0.01 0.00 -2.07 0.00 0.00 38.32 36.84 1ny9 h ASN 228 CO -0.32 0.91 -0.41 0.40 0.07 0.00 0.00 177.43 178.08 1ny9 h ILE 229 N -0.38 0.00 0.00 6.14 2.04 -0.96 -2.86 117.51 121.49 1ny9 h ILE 229 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1ny9 h ILE 229 Cb 0.92 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 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 -5.08 0.26 0.13 1.72 2.03 -0.23 -2.62 116.55 112.76 1ny9 n ASP 230 Ca -0.14 0.59 0.12 0.00 0.52 0.00 0.00 54.79 55.88 1ny9 n ASP 230 Cb 0.45 -0.64 0.62 0.00 -0.72 0.00 0.00 41.12 40.84 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 2.19 2.12 -0.00 -1.67 0.00 -1.22 0.18 119.26 120.86 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 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ny9 h ALA 231 CO 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.05 1ny9 n ALA 232 N -2.56 2.47 -3.65 0.00 0.00 -1.08 -4.82 120.51 110.87 1ny9 n ALA 232 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.34 1ny9 n ALA 232 Cb 0.26 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 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 0.05 0.21 0.00 1.02 0.05 -5.11 119.74 113.26 1ny9 s LYS 233 Ca 0.24 0.07 -0.30 0.00 0.02 0.00 0.00 55.97 56.01 1ny9 s LYS 233 Cb 0.20 0.01 -0.08 0.00 -0.52 0.00 0.00 37.83 37.44 1ny9 s LYS 233 CO 0.49 -0.01 1.18 -1.25 -0.92 0.00 0.00 175.35 174.84 1ny9 s PRO 234 N 0.84 4.52 0.00 -1.68 0.04 -1.24 -3.24 135.00 134.24 1ny9 s PRO 234 Ca -0.05 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1ny9 s PRO 234 Cb -0.03 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ny9 s PRO 234 CO -0.11 -0.02 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1ny9 n GLY 235 N 1.88 2.03 0.37 0.56 0.00 -1.26 -4.84 105.19 103.93 1ny9 n GLY 235 Ca 0.03 0.00 0.06 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 0.91 0.22 0.99 8.10 -1.88 -1.57 115.31 122.08 1ny9 h LEU 236 Ca 0.00 0.02 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1ny9 h LEU 236 Cb 0.00 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.04 1ny9 h LEU 236 CO 0.00 0.54 -0.18 0.00 -4.11 0.00 0.00 178.44 174.69 1ny9 h ALA 237 N 1.52 -0.39 -0.89 0.17 0.00 -1.88 -0.62 119.26 117.18 1ny9 h ALA 237 Ca 0.44 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.34 1ny9 h ALA 237 Cb 0.35 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1ny9 h ALA 237 CO -0.20 -0.74 0.56 0.00 0.00 0.00 0.00 179.25 178.88 1ny9 h ALA 238 N 0.33 1.21 -0.37 0.00 0.00 -1.63 -0.63 119.26 118.18 1ny9 h ALA 238 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ny9 h ALA 238 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ny9 h ALA 238 CO -0.02 0.33 0.09 -0.92 0.00 0.00 0.00 179.25 178.73 1ny9 h TYR 239 N 1.02 0.63 -0.48 0.00 5.03 -0.97 -2.19 116.97 120.01 1ny9 h TYR 239 Ca 0.38 -0.08 0.06 0.00 2.58 0.00 0.00 58.73 61.67 1ny9 h TYR 239 Cb 0.15 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.20 1ny9 h TYR 239 CO -0.02 0.62 0.20 0.52 -1.32 0.00 0.00 178.16 178.15 1ny9 h MET 240 N 0.45 0.38 -0.67 1.82 2.86 -0.24 0.56 114.93 120.09 1ny9 h MET 240 Ca 0.12 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.87 1ny9 h MET 240 Cb 0.31 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.78 1ny9 h MET 240 CO 0.00 0.25 0.10 -0.09 1.06 0.00 0.00 176.91 178.24 1ny9 h ARG 241 N 0.39 0.20 -0.96 1.72 1.12 -0.76 0.48 114.38 116.58 1ny9 h ARG 241 Ca 0.22 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.09 1ny9 h ARG 241 Cb 0.19 -0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.06 1ny9 h ARG 241 CO -0.20 0.13 0.64 -0.44 -3.11 0.00 0.00 179.97 176.99 1ny9 h ASP 242 N 0.21 1.10 -0.33 -3.80 3.32 -0.37 -2.45 116.42 114.10 1ny9 h ASP 242 Ca 0.36 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1ny9 h ASP 242 Cb 0.60 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1ny9 h ASP 242 CO -0.50 0.79 0.20 0.00 -1.72 0.00 0.00 179.24 178.01 1ny9 h ALA 243 N 1.35 0.42 0.53 3.45 0.00 0.17 -2.71 119.26 122.47 1ny9 h ALA 243 Ca 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1ny9 h ALA 243 Cb -0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ny9 h ALA 243 CO -0.08 -0.08 -0.31 0.82 0.00 0.00 0.00 179.25 179.60 1ny9 h ILE 244 N 0.42 0.36 -0.49 0.00 1.08 -0.25 -2.64 117.51 115.99 1ny9 h ILE 244 Ca 0.12 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.58 1ny9 h ILE 244 Cb 0.02 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.10 1ny9 h ILE 244 CO -0.02 0.00 0.29 -0.07 -0.69 0.00 0.00 178.15 177.66 1ny9 h LEU 245 N -0.79 0.59 -0.12 1.44 -0.00 -1.52 -0.92 115.31 113.99 1ny9 h LEU 245 Ca -0.06 -0.06 0.02 0.00 -0.00 0.00 0.00 57.88 57.77 1ny9 h LEU 245 Cb 0.64 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 1ny9 h LEU 245 CO 0.07 0.48 0.01 0.00 -0.00 0.00 0.00 178.44 179.00 1ny9 h ALA 246 N 1.14 0.11 -0.36 1.53 0.00 -1.44 0.88 119.26 121.11 1ny9 h ALA 246 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ny9 h ALA 246 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ny9 h ALA 246 CO -0.03 -0.45 0.22 -0.97 0.00 0.00 0.00 179.25 178.02 1ny9 h ASN 247 N 0.06 0.35 -0.18 0.00 -0.73 -1.34 -1.39 115.58 112.35 1ny9 h ASN 247 Ca 0.05 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1ny9 h ASN 247 Cb 0.05 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 1ny9 h ASN 247 CO -0.08 0.26 0.08 0.00 -0.37 0.00 0.00 177.43 177.32 1ny9 h ALA 248 N 1.16 0.24 -0.58 1.57 0.00 -0.56 -2.91 119.26 118.17 1ny9 h ALA 248 Ca 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ny9 h ALA 248 Cb -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1ny9 h ALA 248 CO -0.06 -0.18 0.31 0.28 0.00 0.00 0.00 179.25 179.60 1ny9 h VAL 249 N 0.16 0.98 0.00 0.00 2.07 0.11 2.42 116.25 121.99 1ny9 h VAL 249 Ca 0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1ny9 h VAL 249 Cb 0.15 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1ny9 h VAL 249 CO -0.01 0.11 0.00 0.08 0.02 0.00 0.00 177.57 177.77 1ny9 h ARG 250 N 0.60 0.00 0.00 1.57 0.11 -1.14 -3.07 114.38 112.45 1ny9 h ARG 250 Ca 0.25 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.23 1ny9 h ARG 250 Cb 0.13 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 1ny9 h ARG 250 CO -0.16 0.00 -1.16 0.72 0.10 0.00 0.00 179.97 179.48 1ny9 n HIS 251 N -2.96 0.38 -3.39 4.08 8.25 0.29 -5.03 115.22 116.84 1ny9 n HIS 251 Ca -0.02 0.17 -0.34 0.00 -0.26 0.00 0.00 57.72 57.27 1ny9 n HIS 251 Cb 0.14 -0.73 0.03 0.00 1.12 0.00 0.00 29.99 30.55 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 -4.47 -5.26 1.89 1.59 -1.04 0.79 -5.10 114.28 102.69 1ny9 n THR 252 Ca -0.21 0.23 0.16 0.00 -2.04 0.00 0.00 64.05 62.19 1ny9 n THR 252 Cb 0.53 -4.25 0.85 0.00 -1.82 0.00 0.00 70.33 65.65 1ny9 n THR 252 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62