#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxd n SER 165 N 0.00 0.26 -0.26 1.61 3.41 -1.26 -2.13 113.62 115.25 1sxd n SER 165 Ca 0.00 0.59 0.02 0.00 -0.26 0.00 0.00 58.87 59.22 1sxd n SER 165 Cb 0.00 -0.64 0.23 0.00 -0.26 0.00 0.00 64.21 63.55 1sxd n SER 165 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1sxd h HIS 166 N 0.00 1.01 -0.18 7.33 -0.00 -2.06 -2.60 115.15 118.65 1sxd h HIS 166 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1sxd h HIS 166 Cb 0.16 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 1sxd h HIS 166 CO 0.00 0.59 0.00 -1.33 -0.00 0.00 0.00 177.93 177.19 1sxd n MET 167 N -4.44 1.48 -0.04 2.45 0.00 -0.91 -4.20 117.12 111.47 1sxd n MET 167 Ca 0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 57.70 56.98 1sxd n MET 167 Cb 0.09 -1.24 -0.02 0.00 0.00 0.00 0.00 33.22 32.05 1sxd n MET 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sxd h ALA 168 N 3.57 -0.15 0.00 3.04 0.00 -1.65 0.44 119.26 124.51 1sxd h ALA 168 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1sxd h ALA 168 Cb 0.29 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1sxd h ALA 168 CO 0.00 -0.68 -0.93 0.00 0.00 0.00 0.00 179.25 177.64 1sxd h ALA 169 N 0.76 0.66 0.44 0.00 0.00 -1.83 -3.35 119.26 115.93 1sxd h ALA 169 Ca 0.13 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1sxd h ALA 169 Cb 0.46 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1sxd h ALA 169 CO -0.38 0.65 -0.21 1.25 0.00 0.00 0.00 179.25 180.56 1sxd h LEU 170 N 0.00 -0.50 -1.86 0.00 5.85 -1.51 -1.80 115.31 115.49 1sxd h LEU 170 Ca -0.07 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1sxd h LEU 170 Cb 1.41 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 1sxd h LEU 170 CO 0.05 -0.14 -0.13 1.05 -0.34 0.00 0.00 178.44 178.93 1sxd h GLU 171 N -1.02 0.00 0.14 1.25 4.11 -1.16 0.43 114.58 118.33 1sxd h GLU 171 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1sxd h GLU 171 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1sxd h GLU 171 CO 0.10 0.13 -0.07 0.78 0.07 0.00 0.00 179.01 180.02 1sxd h GLY 172 N 0.52 -0.20 1.34 1.06 0.00 -1.69 0.58 103.07 104.69 1sxd h GLY 172 Ca -0.00 0.07 -0.20 0.00 0.00 0.00 0.00 47.33 47.20 1sxd h GLY 172 CO 0.02 -0.07 -0.72 -1.82 0.00 0.00 0.00 176.54 173.94 1sxd h TYR 173 N -0.39 0.88 -0.97 5.60 3.20 -0.50 -2.80 116.97 121.98 1sxd h TYR 173 Ca -0.02 -0.37 0.07 0.00 3.14 0.00 0.00 58.73 61.54 1sxd h TYR 173 Cb 0.31 -0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.37 1sxd h TYR 173 CO -0.01 1.17 0.63 -0.09 -1.64 0.00 0.00 178.16 178.22 1sxd h ARG 174 N 0.46 1.10 0.00 1.82 2.43 -0.19 0.68 114.38 120.68 1sxd h ARG 174 Ca -0.03 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1sxd h ARG 174 Cb 1.32 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1sxd h ARG 174 CO 0.14 0.73 -0.03 -0.22 -1.51 0.00 0.00 179.97 179.08 1sxd h LYS 175 N 1.13 0.00 0.00 0.20 3.64 -0.67 -0.26 116.57 120.61 1sxd h LYS 175 Ca 0.42 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.76 1sxd h LYS 175 Cb 0.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1sxd h LYS 175 CO -0.17 0.03 -0.28 1.49 -2.27 0.00 0.00 179.45 178.25 1sxd h GLU 176 N 0.00 0.00 0.10 1.90 4.57 -0.49 -3.36 114.58 117.30 1sxd h GLU 176 Ca -0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1sxd h GLU 176 Cb 0.22 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.76 1sxd h GLU 176 CO 0.00 0.67 -0.47 1.96 -1.18 0.00 0.00 179.01 179.99 1sxd h GLN 177 N -1.00 -0.66 0.00 1.92 4.20 0.69 -2.61 115.11 117.65 1sxd h GLN 177 Ca -0.06 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1sxd h GLN 177 Cb 0.77 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1sxd h GLN 177 CO -0.04 -0.44 -0.05 1.05 -0.67 0.00 0.00 178.83 178.67 1sxd h GLU 178 N -0.69 0.00 -0.00 1.46 4.11 -1.27 0.93 114.58 119.12 1sxd h GLU 178 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 1sxd h GLU 178 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1sxd h GLU 178 CO -0.28 0.05 -0.16 -2.13 0.07 0.00 0.00 179.01 176.56 1sxd n ARG 179 N -4.00 0.36 0.00 1.06 0.63 -1.01 -3.87 116.66 109.82 1sxd n ARG 179 Ca -0.03 -0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1sxd n ARG 179 Cb 0.14 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.55 1sxd n ARG 179 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1sxd n LEU 180 N -1.21 0.00 0.00 6.15 4.77 0.58 -5.01 117.00 122.28 1sxd n LEU 180 Ca 0.11 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1sxd n LEU 180 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1sxd n LEU 180 CO 0.27 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1sxd n GLY 181 N 0.81 0.75 3.70 -0.72 0.00 0.29 -5.01 105.19 105.01 1sxd n GLY 181 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sxd n GLY 181 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1sxd n ILE 182 N -2.01 0.30 -2.36 -0.61 5.41 -0.64 -4.94 119.36 114.51 1sxd n ILE 182 Ca 0.00 -0.05 -0.39 0.00 1.00 0.00 0.00 62.75 63.30 1sxd n ILE 182 Cb 0.00 -2.11 -0.03 0.00 -0.71 0.00 0.00 39.64 36.79 1sxd n ILE 182 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1sxd s PRO 183 N 2.46 4.39 0.27 0.38 0.04 -1.26 -4.52 135.00 136.75 1sxd s PRO 183 Ca 0.81 1.87 -0.00 0.00 0.04 0.00 0.00 61.00 63.71 1sxd s PRO 183 Cb -0.48 -2.97 0.36 0.00 0.04 0.00 0.00 34.50 31.44 1sxd s PRO 183 CO 0.36 -0.04 1.73 1.88 0.04 0.00 0.00 177.00 180.98 1sxd h TYR 184 N 3.31 0.72 -3.35 0.56 0.05 -1.92 -3.44 116.97 112.90 1sxd h TYR 184 Ca -0.48 -0.13 -0.56 0.00 0.05 0.00 0.00 58.73 57.61 1sxd h TYR 184 Cb 1.22 -0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.72 1sxd h TYR 184 CO 0.57 0.75 0.04 0.34 -1.05 0.00 0.00 178.16 178.82 1sxd s ASP 185 N -6.73 6.96 0.34 3.88 2.15 -1.26 -3.88 116.67 118.13 1sxd s ASP 185 Ca -0.08 1.15 0.02 0.00 0.43 0.00 0.00 52.55 54.06 1sxd s ASP 185 Cb 0.14 -2.39 0.61 0.00 -0.30 0.00 0.00 42.92 40.98 1sxd s ASP 185 CO 0.80 -0.05 2.00 1.55 -0.17 0.00 0.00 175.17 179.30 1sxd h PRO 186 N 6.48 0.87 0.00 4.34 0.13 -1.90 -3.00 132.00 138.92 1sxd h PRO 186 Ca -0.42 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1sxd h PRO 186 Cb 1.20 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1sxd h PRO 186 CO 0.74 0.58 -0.11 0.97 -0.23 0.00 0.00 178.00 179.95 1sxd h ILE 187 N 0.90 0.41 -0.52 -3.56 2.10 -1.94 -2.27 117.51 112.63 1sxd h ILE 187 Ca 0.25 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.61 1sxd h ILE 187 Cb -0.07 1.42 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 1sxd h ILE 187 CO -0.06 0.11 0.00 1.41 -1.08 0.00 0.00 178.15 178.53 1sxd n HIS 188 N -3.44 0.69 -2.23 2.19 8.25 -1.13 -1.60 115.22 117.95 1sxd n HIS 188 Ca -0.01 -0.35 -0.36 0.00 -0.26 0.00 0.00 57.72 56.74 1sxd n HIS 188 Cb 0.27 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.38 1sxd n HIS 188 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1sxd s TRP 189 N -1.31 2.76 0.36 4.41 0.51 -0.85 -4.82 118.94 120.01 1sxd s TRP 189 Ca 0.39 1.53 0.06 0.00 -2.12 0.00 0.00 56.10 55.97 1sxd s TRP 189 Cb 0.21 -3.36 -0.00 0.00 -0.81 0.00 0.00 33.47 29.50 1sxd s TRP 189 CO 0.28 -1.61 0.51 0.45 -0.51 0.00 0.00 176.95 176.07 1sxd s SER 190 N -1.51 5.89 0.29 2.95 0.15 -1.26 0.42 113.70 120.63 1sxd s SER 190 Ca 0.68 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 57.16 1sxd s SER 190 Cb -0.27 -1.13 0.74 0.00 -1.71 0.00 0.00 66.02 63.65 1sxd s SER 190 CO 0.32 -0.53 1.64 0.71 1.20 0.00 0.00 173.24 176.58 1sxd h THR 191 N 0.80 0.28 0.09 6.45 1.35 -1.93 0.39 112.91 120.34 1sxd h THR 191 Ca -0.45 -0.06 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1sxd h THR 191 Cb 1.26 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1sxd h THR 191 CO 0.51 0.03 -0.04 0.44 -0.25 0.00 0.00 175.52 176.21 1sxd h ASP 192 N 0.18 -0.10 0.47 5.36 5.19 -1.95 -3.14 116.42 122.44 1sxd h ASP 192 Ca 0.57 -0.28 -0.10 0.00 -0.62 0.00 0.00 57.03 56.60 1sxd h ASP 192 Cb 1.17 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 1sxd h ASP 192 CO -0.68 0.23 -0.48 1.56 -3.12 0.00 0.00 179.24 176.75 1sxd h GLN 193 N -0.45 0.01 -0.88 3.56 4.20 -1.36 0.64 115.11 120.83 1sxd h GLN 193 Ca -0.01 -0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.82 1sxd h GLN 193 Cb 0.38 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.07 1sxd h GLN 193 CO 0.02 0.49 0.50 0.28 -0.67 0.00 0.00 178.83 179.44 1sxd h VAL 194 N 0.01 0.83 -0.01 -0.54 2.07 -0.34 -1.03 116.25 117.23 1sxd h VAL 194 Ca -0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1sxd h VAL 194 Cb 0.85 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1sxd h VAL 194 CO 0.06 0.14 -0.55 0.18 0.02 0.00 0.00 177.57 177.42 1sxd n LEU 195 N -4.77 1.26 -0.06 2.57 4.77 -0.57 -1.98 117.00 118.22 1sxd n LEU 195 Ca 0.17 -0.44 -0.11 0.00 -0.03 0.00 0.00 56.01 55.60 1sxd n LEU 195 Cb 0.37 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1sxd n LEU 195 CO 0.24 0.26 0.78 0.45 -1.33 0.00 0.00 177.39 177.79 1sxd h HIS 196 N 1.11 0.32 0.68 -1.77 3.86 0.97 -0.92 115.15 119.40 1sxd h HIS 196 Ca 0.00 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1sxd h HIS 196 Cb 0.59 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1sxd h HIS 196 CO 0.00 0.46 -0.49 2.35 0.86 0.00 0.00 177.93 181.11 1sxd h TRP 197 N 0.08 -1.32 -0.78 2.45 7.01 -1.26 -1.16 115.95 120.97 1sxd h TRP 197 Ca 0.05 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.11 1sxd h TRP 197 Cb 0.32 0.49 -0.06 0.00 -2.10 0.00 0.00 29.16 27.81 1sxd h TRP 197 CO 0.02 -0.70 0.47 0.28 -2.79 0.00 0.00 178.44 175.72 1sxd h VAL 198 N -1.12 1.00 -0.05 2.65 2.07 -1.44 0.37 116.25 119.74 1sxd h VAL 198 Ca -0.09 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1sxd h VAL 198 Cb 0.92 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1sxd h VAL 198 CO 0.04 0.15 -0.01 0.58 0.02 0.00 0.00 177.57 178.35 1sxd h VAL 199 N 0.85 1.30 -0.16 2.57 2.07 -1.14 0.28 116.25 122.02 1sxd h VAL 199 Ca 0.35 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1sxd h VAL 199 Cb 0.19 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1sxd h VAL 199 CO -0.18 0.25 0.08 -0.25 0.02 0.00 0.00 177.57 177.48 1sxd h TRP 200 N -0.25 0.23 0.00 1.57 7.01 -0.94 -2.26 115.95 121.31 1sxd h TRP 200 Ca 0.01 -0.01 -0.18 0.00 2.11 0.00 0.00 58.89 60.82 1sxd h TRP 200 Cb 0.41 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 1sxd h TRP 200 CO 0.05 0.26 -0.84 0.28 -2.79 0.00 0.00 178.44 175.41 1sxd h VAL 201 N 0.13 1.57 0.00 2.65 2.07 -0.25 -2.01 116.25 120.40 1sxd h VAL 201 Ca 0.05 -2.78 -0.01 0.00 0.82 0.00 0.00 66.70 64.78 1sxd h VAL 201 Cb 0.12 2.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1sxd h VAL 201 CO -0.01 0.80 -0.07 0.00 0.02 0.00 0.00 177.57 178.31 1sxd h MET 202 N 0.02 0.00 -0.01 1.57 -0.00 -0.41 -2.95 114.93 113.16 1sxd h MET 202 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1sxd h MET 202 Cb 1.47 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.07 1sxd h MET 202 CO 0.11 0.07 -0.00 -0.22 -0.00 0.00 0.00 176.91 176.87 1sxd h LYS 203 N 0.00 0.02 -0.43 -0.10 3.64 -0.75 0.51 116.57 119.46 1sxd h LYS 203 Ca -0.00 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 1sxd h LYS 203 Cb 0.44 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1sxd h LYS 203 CO 0.01 0.45 0.33 1.49 -2.27 0.00 0.00 179.45 179.46 1sxd h GLU 204 N -0.42 0.00 -0.03 1.90 4.57 -1.29 -0.01 114.58 119.30 1sxd h GLU 204 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sxd h GLU 204 Cb 0.45 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1sxd h GLU 204 CO 0.00 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.02 1sxd n PHE 205 N -4.29 0.09 -3.90 0.92 3.72 -1.25 -4.99 117.46 107.76 1sxd n PHE 205 Ca 0.07 -0.81 -0.28 0.00 -0.05 0.00 0.00 57.45 56.38 1sxd n PHE 205 Cb 0.53 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.96 1sxd n PHE 205 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1sxd n SER 206 N -1.00 -3.05 0.13 4.37 3.41 -0.02 -4.90 113.62 112.57 1sxd n SER 206 Ca 0.11 -0.85 -0.09 0.00 -0.26 0.00 0.00 58.87 57.79 1sxd n SER 206 Cb 0.53 -3.68 -0.05 0.00 -0.26 0.00 0.00 64.21 60.75 1sxd n SER 206 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1sxd h MET 207 N -1.93 -0.40 0.00 4.33 2.86 -0.24 -3.46 114.93 116.09 1sxd h MET 207 Ca -0.60 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 1sxd h MET 207 Cb 1.37 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.12 1sxd h MET 207 CO 0.65 -0.16 0.00 0.25 1.06 0.00 0.00 176.91 178.71 1sxd n THR 208 N -5.05 0.00 -1.57 2.22 -2.24 -1.22 -4.55 114.28 101.87 1sxd n THR 208 Ca -0.07 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.41 1sxd n THR 208 Cb 0.22 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 1sxd n THR 208 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sxd n ASP 209 N 0.63 6.85 -4.54 3.42 2.03 -1.26 -4.88 116.55 118.79 1sxd n ASP 209 Ca 0.00 -3.41 -0.34 0.00 0.52 0.00 0.00 54.79 51.56 1sxd n ASP 209 Cb 0.00 -1.16 -0.12 0.00 -0.72 0.00 0.00 41.12 39.12 1sxd n ASP 209 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1sxd s ILE 210 N -3.22 3.67 -0.52 5.18 1.10 -1.26 -4.90 121.20 121.25 1sxd s ILE 210 Ca 0.55 -0.48 -0.26 0.00 -0.51 0.00 0.00 60.65 59.96 1sxd s ILE 210 Cb 0.40 -2.52 -0.06 0.00 0.15 0.00 0.00 42.46 40.43 1sxd s ILE 210 CO -0.26 0.57 2.26 -1.81 -2.11 0.00 0.00 174.94 173.60 1sxd s ASP 211 N -0.47 4.66 0.07 4.50 1.11 -1.26 -4.81 116.67 120.48 1sxd s ASP 211 Ca 0.07 0.89 -0.15 0.00 0.18 0.00 0.00 52.55 53.54 1sxd s ASP 211 Cb -0.12 -2.51 -0.17 0.00 1.07 0.00 0.00 42.92 41.20 1sxd s ASP 211 CO 0.02 -2.74 1.27 -0.07 1.18 0.00 0.00 175.17 174.83 1sxd h LEU 212 N 18.74 0.79 -1.34 1.23 3.38 -1.95 -2.98 115.31 133.18 1sxd h LEU 212 Ca -0.25 -0.63 -0.06 0.00 0.09 0.00 0.00 57.88 57.04 1sxd h LEU 212 Cb 1.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1sxd h LEU 212 CO 1.17 1.29 -0.26 0.00 0.09 0.00 0.00 178.44 180.73 1sxd h THR 213 N 0.34 0.79 0.00 0.22 1.03 -1.99 -2.58 112.91 110.71 1sxd h THR 213 Ca -0.04 -1.09 -0.19 0.00 -0.01 0.00 0.00 66.41 65.08 1sxd h THR 213 Cb 1.27 1.67 -0.03 0.00 -1.07 0.00 0.00 68.15 69.98 1sxd h THR 213 CO 0.13 0.26 -1.15 0.74 -0.01 0.00 0.00 175.52 175.49 1sxd h THR 214 N 0.00 0.99 -0.64 0.00 2.02 -1.93 -3.20 112.91 110.15 1sxd h THR 214 Ca -0.00 -2.59 -0.22 0.00 0.77 0.00 0.00 66.41 64.37 1sxd h THR 214 Cb 0.65 2.43 -0.13 0.00 -1.74 0.00 0.00 68.15 69.36 1sxd h THR 214 CO 0.03 0.56 0.28 0.18 0.37 0.00 0.00 175.52 176.94 1sxd n LEU 215 N -3.13 5.44 -2.85 2.58 4.77 -1.02 -4.66 117.00 118.15 1sxd n LEU 215 Ca -0.06 -2.84 -0.29 0.00 -0.03 0.00 0.00 56.01 52.79 1sxd n LEU 215 Cb 0.89 -0.71 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 1sxd n LEU 215 CO 0.44 0.76 2.67 -3.20 -1.33 0.00 0.00 177.39 176.72 1sxd n ASN 216 N -0.19 7.45 -2.66 -1.43 4.05 -1.01 -4.74 115.26 116.73 1sxd n ASN 216 Ca 0.36 -2.60 -0.12 0.00 0.45 0.00 0.00 54.58 52.66 1sxd n ASN 216 Cb 1.24 -1.49 -0.03 0.00 1.23 0.00 0.00 39.78 40.73 1sxd n ASN 216 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1sxd n ILE 217 N 2.98 0.00 -2.82 -1.44 -6.64 -1.26 -5.01 119.36 105.17 1sxd n ILE 217 Ca 0.65 -1.16 -0.21 0.00 -1.77 0.00 0.00 62.75 60.25 1sxd n ILE 217 Cb 0.48 0.41 0.08 0.00 -1.44 0.00 0.00 39.64 39.17 1sxd n ILE 217 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 1sxd s SER 218 N -2.23 4.77 0.22 7.28 0.01 -1.26 -3.79 113.70 118.69 1sxd s SER 218 Ca 0.10 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 1sxd s SER 218 Cb 0.00 0.10 0.18 0.00 0.21 0.00 0.00 66.02 66.52 1sxd s SER 218 CO 0.07 -1.56 1.89 1.23 0.41 0.00 0.00 173.24 175.27 1sxd h GLY 219 N -0.14 1.13 2.00 3.44 0.00 -0.16 -1.00 103.07 108.34 1sxd h GLY 219 Ca -0.33 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 1sxd h GLY 219 CO 0.41 0.40 -0.06 0.07 0.00 0.00 0.00 176.54 177.36 1sxd h ARG 220 N 1.08 0.00 0.03 4.80 -0.00 -1.52 0.36 114.38 119.13 1sxd h ARG 220 Ca 0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.23 1sxd h ARG 220 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.87 1sxd h ARG 220 CO -0.07 0.06 -0.23 0.93 -0.00 0.00 0.00 179.97 180.67 1sxd h GLU 221 N 0.00 0.06 0.33 0.08 3.07 -1.66 -3.22 114.58 113.24 1sxd h GLU 221 Ca -0.00 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1sxd h GLU 221 Cb 0.32 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1sxd h GLU 221 CO 0.01 1.05 -0.22 1.25 -1.40 0.00 0.00 179.01 179.69 1sxd h LEU 222 N -0.87 -0.57 -1.22 1.33 7.12 -0.36 -2.91 115.31 117.83 1sxd h LEU 222 Ca -0.05 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 1sxd h LEU 222 Cb 1.15 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 41.45 1sxd h LEU 222 CO 0.02 -0.35 -0.12 0.00 -0.13 0.00 0.00 178.44 177.86 1sxd n SER 224 N -3.26 0.58 -4.84 0.00 7.64 -1.11 -4.80 113.62 107.83 1sxd n SER 224 Ca 0.00 -0.44 -0.38 0.00 1.01 0.00 0.00 58.87 59.06 1sxd n SER 224 Cb 0.38 0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.55 1sxd n SER 224 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1sxd s LEU 225 N -2.69 4.46 0.58 -3.43 0.05 -1.13 -5.07 118.68 111.43 1sxd s LEU 225 Ca 0.21 0.87 -0.13 0.00 0.05 0.00 0.00 54.13 55.13 1sxd s LEU 225 Cb 0.19 -2.49 -0.05 0.00 -2.05 0.00 0.00 46.19 41.78 1sxd s LEU 225 CO 0.56 0.33 1.01 0.54 -0.55 0.00 0.00 176.35 178.24 1sxd s ASN 226 N -1.04 6.38 0.42 1.48 4.22 -1.26 -4.85 114.94 120.29 1sxd s ASN 226 Ca 0.22 1.46 0.28 0.00 -2.14 0.00 0.00 52.86 52.69 1sxd s ASN 226 Cb -0.16 -2.48 1.42 0.00 1.28 0.00 0.00 41.25 41.32 1sxd s ASN 226 CO 0.12 -0.76 1.60 -0.61 -2.04 0.00 0.00 177.10 175.41 1sxd h GLN 227 N 0.16 0.04 -0.11 3.55 5.75 -1.98 0.92 115.11 123.45 1sxd h GLN 227 Ca -0.45 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 57.99 1sxd h GLN 227 Cb 1.19 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 1sxd h GLN 227 CO 0.62 0.03 -0.16 0.93 -2.65 0.00 0.00 178.83 177.60 1sxd h GLU 228 N 0.04 0.31 -0.43 1.69 3.07 -1.96 0.53 114.58 117.83 1sxd h GLU 228 Ca 0.85 -0.18 0.09 0.00 -0.50 0.00 0.00 59.36 59.62 1sxd h GLU 228 Cb 2.58 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 30.48 1sxd h GLU 228 CO -0.53 0.75 0.29 0.22 -1.40 0.00 0.00 179.01 178.34 1sxd h ASP 229 N -0.10 0.17 -0.05 1.42 3.58 -1.18 0.21 116.42 120.47 1sxd h ASP 229 Ca 0.01 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1sxd h ASP 229 Cb 0.71 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1sxd h ASP 229 CO 0.04 0.11 -0.23 0.15 -2.88 0.00 0.00 179.24 176.43 1sxd h PHE 230 N 0.20 0.32 0.00 0.28 3.57 -1.14 -3.08 116.94 117.08 1sxd h PHE 230 Ca 0.20 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1sxd h PHE 230 Cb 0.53 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1sxd h PHE 230 CO -0.00 0.86 0.00 1.19 -2.23 0.00 0.00 178.31 178.13 1sxd n PHE 231 N -4.53 0.82 -0.04 0.41 3.01 0.18 0.83 117.46 118.14 1sxd n PHE 231 Ca -0.09 0.33 -0.21 0.00 1.01 0.00 0.00 57.45 58.50 1sxd n PHE 231 Cb 0.45 -1.04 -0.13 0.00 -0.01 0.00 0.00 39.48 38.75 1sxd n PHE 231 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1sxd h GLN 232 N 0.00 0.14 -0.37 -1.08 1.08 -0.79 -2.62 115.11 111.47 1sxd h GLN 232 Ca 0.00 -0.24 0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1sxd h GLN 232 Cb 0.31 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 1sxd h GLN 232 CO 0.00 1.12 0.25 0.00 -0.95 0.00 0.00 178.83 179.24 1sxd h ARG 233 N -0.55 0.40 -0.35 1.46 3.08 -1.21 -3.42 114.38 113.79 1sxd h ARG 233 Ca -0.31 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 59.91 1sxd h ARG 233 Cb 1.58 -0.09 -0.20 0.00 0.08 0.00 0.00 29.97 31.35 1sxd h ARG 233 CO -0.04 0.27 -0.02 0.54 -1.07 0.00 0.00 179.97 179.66 1sxd s VAL 234 N -5.39 -0.35 -0.13 2.04 0.11 0.24 -4.80 120.40 112.12 1sxd s VAL 234 Ca -0.07 0.00 0.15 0.00 -2.93 0.00 0.00 61.98 59.12 1sxd s VAL 234 Cb 0.18 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1sxd s VAL 234 CO 0.72 0.00 1.31 1.55 -3.33 0.00 0.00 175.10 175.35 1sxd h PRO 235 N 7.52 0.00 -0.99 1.54 0.14 -1.62 -3.26 132.00 135.32 1sxd h PRO 235 Ca -0.10 0.00 -0.22 0.00 0.14 0.00 0.00 66.00 65.82 1sxd h PRO 235 Cb 1.18 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.18 1sxd h PRO 235 CO -0.07 0.50 0.28 2.89 0.14 0.00 0.00 178.00 181.74 1sxd n ARG 236 N -3.17 1.59 -0.65 0.86 0.00 -1.26 -4.17 116.66 109.87 1sxd n ARG 236 Ca -0.00 -1.33 0.01 0.00 -0.00 0.00 0.00 57.85 56.52 1sxd n ARG 236 Cb 0.77 -1.53 0.21 0.00 -0.00 0.00 0.00 32.46 31.91 1sxd n ARG 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sxd n GLY 237 N -0.21 4.64 0.33 2.89 0.00 -1.26 -4.71 105.19 106.87 1sxd n GLY 237 Ca 0.26 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 45.19 1sxd n GLY 237 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1sxd h GLU 238 N 1.18 0.74 0.00 1.61 4.11 -1.91 -1.89 114.58 118.42 1sxd h GLU 238 Ca 0.14 -0.04 -0.11 0.00 0.07 0.00 0.00 59.36 59.41 1sxd h GLU 238 Cb 1.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1sxd h GLU 238 CO 0.31 0.49 -0.54 0.97 0.07 0.00 0.00 179.01 180.32 1sxd h ILE 239 N 0.76 1.35 0.24 -1.06 -0.00 -1.96 -2.94 117.51 113.90 1sxd h ILE 239 Ca 0.49 -1.86 -0.00 0.00 -0.00 0.00 0.00 64.86 63.49 1sxd h ILE 239 Cb 0.64 2.01 -0.01 0.00 -0.00 0.00 0.00 36.82 39.46 1sxd h ILE 239 CO -0.33 0.53 -0.17 -0.07 -0.00 0.00 0.00 178.15 178.11 1sxd h LEU 240 N 0.00 -0.43 -1.59 2.19 3.38 -1.69 -2.66 115.31 114.50 1sxd h LEU 240 Ca -0.01 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1sxd h LEU 240 Cb 0.97 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1sxd h LEU 240 CO 0.07 -0.27 0.30 -0.50 0.09 0.00 0.00 178.44 178.14 1sxd h TRP 241 N -0.41 0.51 -0.23 1.13 4.06 -1.47 -1.04 115.95 118.50 1sxd h TRP 241 Ca -0.02 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1sxd h TRP 241 Cb 0.35 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1sxd h TRP 241 CO -0.11 0.31 0.14 1.03 -3.56 0.00 0.00 178.44 176.26 1sxd h SER 242 N 0.54 0.27 0.35 -3.49 0.87 -1.31 0.41 113.55 111.19 1sxd h SER 242 Ca 0.18 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1sxd h SER 242 Cb 0.05 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1sxd h SER 242 CO -0.04 0.22 -0.42 -0.74 -0.53 0.00 0.00 176.83 175.32 1sxd h HIS 243 N 0.29 0.10 -0.26 2.24 -0.00 -1.17 -2.66 115.15 113.70 1sxd h HIS 243 Ca 0.08 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.33 1sxd h HIS 243 Cb -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1sxd h HIS 243 CO -0.05 0.49 -0.23 1.25 -0.00 0.00 0.00 177.93 179.39 1sxd h LEU 244 N 0.07 0.66 -0.54 0.26 5.85 -0.09 0.46 115.31 121.98 1sxd h LEU 244 Ca 0.00 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1sxd h LEU 244 Cb 0.77 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 1sxd h LEU 244 CO 0.06 0.98 0.21 -0.33 -0.34 0.00 0.00 178.44 179.02 1sxd h GLU 245 N 0.35 0.39 -0.29 1.25 5.08 -0.17 -1.27 114.58 119.91 1sxd h GLU 245 Ca 0.05 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1sxd h GLU 245 Cb 0.78 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1sxd h GLU 245 CO 0.06 0.26 -0.13 1.25 -1.00 0.00 0.00 179.01 179.45 1sxd h LEU 246 N 0.40 0.48 0.63 1.33 5.85 -1.08 0.19 115.31 123.11 1sxd h LEU 246 Ca 0.26 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1sxd h LEU 246 Cb 0.28 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1sxd h LEU 246 CO -0.26 0.64 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.96 1sxd h LEU 247 N 0.46 -1.19 -0.63 2.25 3.38 0.63 -0.44 115.31 119.77 1sxd h LEU 247 Ca 0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1sxd h LEU 247 Cb 0.50 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1sxd h LEU 247 CO 0.03 -0.66 0.00 0.08 0.09 0.00 0.00 178.44 177.98 1sxd h ARG 248 N -1.04 0.00 -0.01 1.13 0.11 -0.96 -2.57 114.38 111.04 1sxd h ARG 248 Ca -0.08 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.75 1sxd h ARG 248 Cb 0.85 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.95 1sxd h ARG 248 CO 0.04 0.00 -0.99 0.87 0.10 0.00 0.00 179.97 179.99 1sxd h LYS 249 N 0.00 0.61 -0.83 0.08 1.79 -0.60 -1.00 116.57 116.61 1sxd h LYS 249 Ca 0.00 -0.64 -0.43 0.00 -2.18 0.00 0.00 60.65 57.40 1sxd h LYS 249 Cb 0.72 0.18 -0.26 0.00 -1.58 0.00 0.00 32.23 31.29 1sxd h LYS 249 CO 0.00 1.24 0.47 0.66 -1.08 0.00 0.00 179.45 180.74 1sxd n TYR 250 N -3.82 2.57 -0.67 -1.35 4.02 -0.18 -3.11 117.16 114.62 1sxd n TYR 250 Ca -0.09 -1.79 0.00 0.00 -0.01 0.00 0.00 57.90 56.01 1sxd n TYR 250 Cb 0.86 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1sxd n TYR 250 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 176.86 177.40 1sxd n VAL 251 N -1.14 0.00 -2.53 -0.72 3.14 -1.13 -4.98 118.33 110.97 1sxd n VAL 251 Ca 0.53 -0.16 -0.18 0.00 -2.96 0.00 0.00 64.34 61.57 1sxd n VAL 251 Cb 1.51 1.67 0.01 0.00 -1.06 0.00 0.00 33.84 35.97 1sxd n VAL 251 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1sxd n LEU 252 N -0.00 -2.06 -2.91 6.55 4.77 -1.18 -4.13 117.00 118.04 1sxd n LEU 252 Ca 0.00 -0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 1sxd n LEU 252 Cb 0.17 -2.58 0.01 0.00 -2.33 0.00 0.00 43.42 38.69 1sxd n LEU 252 CO 0.00 -0.05 -0.03 0.00 -1.33 0.00 0.00 177.39 175.98 1sxd n ALA 253 N -2.36 -2.97 -0.20 -1.18 0.00 -0.38 -5.05 120.51 108.37 1sxd n ALA 253 Ca -0.17 1.04 0.00 0.00 0.00 0.00 0.00 53.44 54.30 1sxd n ALA 253 Cb 0.64 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.69 1sxd n ALA 253 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37