#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3caf s LYS 151 N 0.00 4.13 -0.19 -3.83 1.02 -1.26 -4.75 119.74 114.86 3caf s LYS 151 Ca 0.00 2.54 -0.19 0.00 0.02 0.00 0.00 55.97 58.34 3caf s LYS 151 Cb 0.00 -2.99 0.05 0.00 -0.52 0.00 0.00 37.83 34.38 3caf s LYS 151 CO 0.00 -0.52 0.54 0.50 -0.92 0.00 0.00 175.35 174.95 3caf s ARG 152 N -1.80 0.66 0.89 1.68 3.52 0.44 -4.93 118.95 119.41 3caf s ARG 152 Ca 0.54 0.70 -0.10 0.00 -0.13 0.00 0.00 55.73 56.74 3caf s ARG 152 Cb -0.46 0.32 0.13 0.00 -1.56 0.00 0.00 34.95 33.38 3caf s ARG 152 CO 0.60 -0.09 1.14 0.00 -0.81 0.00 0.00 175.30 176.13 3caf s ALA 153 N 0.16 1.58 0.69 6.12 0.00 -1.26 -1.77 121.76 127.28 3caf s ALA 153 Ca -0.01 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.33 3caf s ALA 153 Cb -0.04 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.67 3caf s ALA 153 CO 0.01 -2.62 1.24 -2.14 0.00 0.00 0.00 175.76 172.25 3caf s PRO 154 N -4.69 2.33 0.03 0.00 0.02 -1.26 -4.52 135.00 126.92 3caf s PRO 154 Ca 0.66 1.89 -0.16 0.00 0.02 0.00 0.00 61.00 63.41 3caf s PRO 154 Cb -0.22 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.49 3caf s PRO 154 CO 0.58 -1.72 0.36 1.52 -0.33 0.00 0.00 177.00 177.41 3caf s TYR 155 N -1.73 -0.19 0.13 6.54 1.13 -0.84 -4.93 117.35 117.46 3caf s TYR 155 Ca 0.78 0.14 -0.25 0.00 -1.41 0.00 0.00 57.07 56.32 3caf s TYR 155 Cb -0.32 0.15 -0.07 0.00 -1.10 0.00 0.00 41.96 40.62 3caf s TYR 155 CO 0.42 -0.52 0.78 -1.58 -2.51 0.00 0.00 175.55 172.14 3caf s TRP 156 N -2.33 3.86 -0.21 -3.49 0.23 -1.26 -0.78 118.94 114.96 3caf s TRP 156 Ca -0.06 1.60 0.22 0.00 -2.03 0.00 0.00 56.10 55.82 3caf s TRP 156 Cb -0.01 -2.78 -0.31 0.00 0.03 0.00 0.00 33.47 30.39 3caf s TRP 156 CO -0.02 0.45 0.57 0.25 0.96 0.00 0.00 176.95 179.16 3caf n THR 157 N 1.92 0.01 -3.36 2.01 -2.24 -0.89 -4.76 114.28 106.97 3caf n THR 157 Ca -0.05 -0.41 -0.18 0.00 -2.27 0.00 0.00 64.05 61.14 3caf n THR 157 Cb 0.49 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.81 3caf n THR 157 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3caf s ASN 158 N -4.26 1.31 0.15 3.42 2.47 -1.26 -4.99 114.94 111.79 3caf s ASN 158 Ca -0.05 -1.73 0.20 0.00 0.42 0.00 0.00 52.86 51.70 3caf s ASN 158 Cb 0.14 0.45 0.83 0.00 -1.45 0.00 0.00 41.25 41.22 3caf s ASN 158 CO 0.90 -0.25 1.61 0.35 -3.72 0.00 0.00 177.10 175.98 3caf n THR 159 N 4.12 0.90 -0.04 -5.21 -2.24 -1.26 -3.33 114.28 107.22 3caf n THR 159 Ca 0.12 0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 62.06 3caf n THR 159 Cb 0.44 -1.09 -0.03 0.00 -2.10 0.00 0.00 70.33 67.55 3caf n THR 159 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3caf h GLU 160 N 0.00 0.05 -0.17 -0.78 5.08 -2.01 -1.36 114.58 115.38 3caf h GLU 160 Ca 0.00 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3caf h GLU 160 Cb 0.32 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3caf h GLU 160 CO 0.00 0.03 0.15 0.87 -1.00 0.00 0.00 179.01 179.06 3caf h LYS 161 N 0.05 0.00 0.00 2.33 1.79 -1.96 -2.78 116.57 116.00 3caf h LYS 161 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3caf h LYS 161 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3caf h LYS 161 CO -0.16 0.00 -0.91 -1.33 -1.08 0.00 0.00 179.45 175.96 3caf n MET 162 N -4.15 0.48 -0.34 3.15 2.81 -0.56 -4.35 117.12 114.15 3caf n MET 162 Ca 0.01 0.09 0.11 0.00 -1.81 0.00 0.00 57.70 56.11 3caf n MET 162 Cb 0.28 -1.76 0.30 0.00 -0.71 0.00 0.00 33.22 31.33 3caf n MET 162 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3caf h GLU 163 N 0.00 0.73 -6.25 0.03 4.39 -1.13 -3.36 114.58 109.00 3caf h GLU 163 Ca 0.00 -0.04 -0.57 0.00 0.34 0.00 0.00 59.36 59.09 3caf h GLU 163 Cb 0.90 -0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 29.29 3caf h GLU 163 CO 0.00 0.49 1.25 0.15 -1.16 0.00 0.00 179.01 179.74 3caf s LYS 164 N -5.89 3.37 0.05 2.33 1.02 -1.26 -4.87 119.74 114.50 3caf s LYS 164 Ca -0.11 -0.63 -0.03 0.00 0.02 0.00 0.00 55.97 55.21 3caf s LYS 164 Cb 0.24 -4.70 -0.28 0.00 -0.52 0.00 0.00 37.83 32.57 3caf s LYS 164 CO 0.80 -2.18 1.05 0.00 -0.92 0.00 0.00 175.35 174.11 3caf h ARG 165 N 9.93 0.25 -5.26 1.68 3.08 -1.91 -3.45 114.38 118.70 3caf h ARG 165 Ca -0.07 -0.43 -0.63 0.00 0.07 0.00 0.00 59.98 58.92 3caf h ARG 165 Cb 1.03 0.16 -0.19 0.00 0.08 0.00 0.00 29.97 31.06 3caf h ARG 165 CO 1.35 1.17 -0.61 -0.51 -1.07 0.00 0.00 179.97 180.30 3caf s LEU 166 N -7.07 3.55 -0.06 3.04 1.43 -1.26 0.15 118.68 118.47 3caf s LEU 166 Ca -0.05 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3caf s LEU 166 Cb 0.07 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.41 3caf s LEU 166 CO 0.87 0.15 -0.14 -1.00 0.23 0.00 0.00 176.35 176.47 3caf s HIS 167 N 0.47 1.55 -0.24 0.29 3.76 0.48 -4.95 115.29 116.66 3caf s HIS 167 Ca 0.00 -0.55 0.02 0.00 -0.15 0.00 0.00 55.06 54.39 3caf s HIS 167 Cb -0.13 -1.11 0.05 0.00 1.11 0.00 0.00 32.58 32.50 3caf s HIS 167 CO 0.02 -0.25 -0.13 0.00 -0.85 0.00 0.00 174.74 173.52 3caf s ALA 168 N 0.49 2.52 0.01 -1.40 0.00 -1.26 -0.14 121.76 121.98 3caf s ALA 168 Ca -0.12 -1.58 0.05 0.00 0.00 0.00 0.00 51.96 50.31 3caf s ALA 168 Cb -0.15 -1.49 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 3caf s ALA 168 CO 0.04 -0.92 -0.16 0.14 0.00 0.00 0.00 175.76 174.85 3caf s VAL 169 N 1.18 1.30 0.62 0.00 -7.23 0.42 -4.89 120.40 111.80 3caf s VAL 169 Ca -0.04 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.11 3caf s VAL 169 Cb -0.18 -1.11 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 3caf s VAL 169 CO -0.07 0.26 1.30 -2.65 -0.31 0.00 0.00 175.10 173.63 3caf n PRO 170 N 2.39 1.27 -1.20 4.82 -0.02 -1.26 -0.15 135.00 140.85 3caf n PRO 170 Ca -0.16 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 3caf n PRO 170 Cb 0.54 -2.53 0.11 0.00 -0.02 0.00 0.00 33.50 31.60 3caf n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3caf n ALA 171 N -1.66 -0.28 -0.05 3.55 0.00 -1.21 -2.99 120.51 117.87 3caf n ALA 171 Ca 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3caf n ALA 171 Cb 0.47 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3caf n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3caf n ALA 172 N -2.96 0.00 -1.92 0.00 0.00 0.23 -4.86 120.51 111.00 3caf n ALA 172 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 3caf n ALA 172 Cb 0.50 -0.04 0.08 0.00 0.00 0.00 0.00 19.45 20.00 3caf n ALA 172 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3caf s ASN 173 N -3.81 4.59 -0.16 0.00 0.02 -1.16 -4.06 114.94 110.36 3caf s ASN 173 Ca 0.00 0.57 -0.07 0.00 -1.02 0.00 0.00 52.86 52.34 3caf s ASN 173 Cb 0.00 -1.12 -0.04 0.00 0.02 0.00 0.00 41.25 40.11 3caf s ASN 173 CO 0.00 -1.79 0.08 -0.89 0.02 0.00 0.00 177.10 174.52 3caf s THR 174 N -3.42 4.93 -0.01 1.60 2.01 -1.26 -0.67 115.64 118.83 3caf s THR 174 Ca 0.62 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.69 3caf s THR 174 Cb -0.10 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 3caf s THR 174 CO 0.47 0.50 -0.19 0.68 -0.69 0.00 0.00 174.62 175.39 3caf s VAL 175 N -0.01 2.64 -0.10 3.82 -7.23 -0.57 -5.00 120.40 113.95 3caf s VAL 175 Ca 0.07 -1.02 0.01 0.00 -1.81 0.00 0.00 61.98 59.23 3caf s VAL 175 Cb -0.12 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.81 3caf s VAL 175 CO 0.01 0.49 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.41 3caf s LYS 176 N -0.96 1.92 -0.04 4.82 2.20 -1.26 -1.15 119.74 125.26 3caf s LYS 176 Ca 0.12 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 3caf s LYS 176 Cb -0.10 -1.68 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 3caf s LYS 176 CO 0.02 -0.08 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.76 3caf s PHE 177 N 1.05 2.81 0.07 4.03 0.08 0.23 -4.94 117.98 121.32 3caf s PHE 177 Ca -0.06 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 56.96 3caf s PHE 177 Cb -0.15 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3caf s PHE 177 CO -0.02 0.27 -0.14 1.03 -0.10 0.00 0.00 175.22 176.26 3caf s ARG 178 N -0.89 0.83 -0.39 0.44 0.52 -1.26 -0.57 118.95 117.62 3caf s ARG 178 Ca 0.13 -0.96 0.09 0.00 -0.52 0.00 0.00 55.73 54.46 3caf s ARG 178 Cb -0.11 -0.85 0.27 0.00 0.52 0.00 0.00 34.95 34.78 3caf s ARG 178 CO 0.02 0.19 0.58 0.00 0.02 0.00 0.00 175.30 176.11 3caf n PRO 180 N 1.22 1.43 -3.90 0.00 -0.02 -1.26 -4.89 135.00 127.58 3caf n PRO 180 Ca 0.21 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 3caf n PRO 180 Cb 0.56 -2.20 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 3caf n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3caf s ALA 181 N 0.77 -0.16 0.33 3.55 0.00 -1.26 -2.10 121.76 122.88 3caf s ALA 181 Ca 0.84 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.34 3caf s ALA 181 Cb -0.88 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3caf s ALA 181 CO 0.45 -0.36 0.14 0.20 0.00 0.00 0.00 175.76 176.19 3caf s GLY 182 N -2.24 2.18 0.00 0.00 0.00 0.04 -4.80 107.32 102.51 3caf s GLY 182 Ca -0.03 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.00 3caf s GLY 182 CO -0.05 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 171.99 3caf n GLY 183 N -0.66 3.89 2.79 0.20 0.00 -1.26 -1.99 105.19 108.15 3caf n GLY 183 Ca -0.01 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 3caf n GLY 183 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3caf s ASN 184 N 0.00 2.49 0.98 1.61 2.47 -0.73 -3.30 114.94 118.46 3caf s ASN 184 Ca 0.00 -0.56 -0.12 0.00 0.42 0.00 0.00 52.86 52.60 3caf s ASN 184 Cb 0.00 -0.64 0.17 0.00 -1.45 0.00 0.00 41.25 39.34 3caf s ASN 184 CO 0.00 -0.24 1.10 -2.16 -3.72 0.00 0.00 177.10 172.08 3caf s PRO 185 N 1.83 0.62 -0.25 0.43 0.05 -1.26 -0.42 135.00 135.99 3caf s PRO 185 Ca 0.01 0.50 -0.38 0.00 0.05 0.00 0.00 61.00 61.18 3caf s PRO 185 Cb -0.15 -1.76 -0.14 0.00 0.05 0.00 0.00 34.50 32.50 3caf s PRO 185 CO -0.07 -2.60 1.84 -0.12 0.05 0.00 0.00 177.00 176.10 3caf n MET 186 N -4.08 1.35 -1.82 4.56 0.00 -1.21 -4.88 117.12 111.04 3caf n MET 186 Ca 0.06 0.48 -0.32 0.00 -0.00 0.00 0.00 57.70 57.92 3caf n MET 186 Cb 0.57 -2.26 0.03 0.00 0.00 0.00 0.00 33.22 31.56 3caf n MET 186 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3caf s PRO 187 N 4.07 3.24 0.43 2.12 0.04 -1.26 -4.90 135.00 138.73 3caf s PRO 187 Ca 0.99 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.02 3caf s PRO 187 Cb -0.97 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 3caf s PRO 187 CO 0.61 -0.86 0.65 0.95 0.04 0.00 0.00 177.00 178.39 3caf s THR 188 N -2.87 4.38 0.01 1.26 -4.23 -0.26 -4.83 115.64 109.10 3caf s THR 188 Ca 0.59 -0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 3caf s THR 188 Cb -0.14 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.07 3caf s THR 188 CO 0.48 -0.44 -0.11 -0.32 -0.54 0.00 0.00 174.62 173.68 3caf s MET 189 N -4.51 0.86 0.05 3.99 1.75 -1.26 -0.93 119.30 119.25 3caf s MET 189 Ca 0.46 -0.48 -0.04 0.00 -1.25 0.00 0.00 55.69 54.37 3caf s MET 189 Cb -0.10 -0.83 -0.02 0.00 2.84 0.00 0.00 34.83 36.73 3caf s MET 189 CO 0.38 0.22 0.07 -0.98 -0.65 0.00 0.00 175.02 174.06 3caf s ARG 190 N -0.52 0.62 -0.02 4.11 1.70 0.06 -4.98 118.95 119.91 3caf s ARG 190 Ca 0.03 -0.90 0.05 0.00 -0.47 0.00 0.00 55.73 54.44 3caf s ARG 190 Cb -0.05 0.23 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 3caf s ARG 190 CO 0.00 -0.15 -0.17 -1.58 -1.08 0.00 0.00 175.30 172.32 3caf s TRP 191 N -3.08 2.60 0.19 5.89 0.52 -1.26 0.11 118.94 123.91 3caf s TRP 191 Ca -0.01 -0.23 0.11 0.00 0.02 0.00 0.00 56.10 55.98 3caf s TRP 191 Cb 0.02 -1.57 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 3caf s TRP 191 CO -0.07 0.16 -0.21 -0.51 0.02 0.00 0.00 176.95 176.34 3caf s LEU 192 N -0.86 2.55 -0.10 2.99 1.43 0.10 -2.65 118.68 122.14 3caf s LEU 192 Ca 0.12 -0.80 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 3caf s LEU 192 Cb -0.10 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.86 3caf s LEU 192 CO 0.01 0.12 -0.11 -0.75 0.23 0.00 0.00 176.35 175.85 3caf s LYS 193 N -2.70 1.84 -1.55 1.70 2.20 0.58 -1.43 119.74 120.37 3caf s LYS 193 Ca 0.22 -0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 55.31 3caf s LYS 193 Cb -0.08 -1.68 0.09 0.00 -1.51 0.00 0.00 37.83 34.64 3caf s LYS 193 CO 0.11 -0.14 0.78 0.09 -0.36 0.00 0.00 175.35 175.83 3caf n ASN 194 N 4.46 -3.09 0.00 1.43 3.02 0.21 -1.87 115.26 119.42 3caf n ASN 194 Ca -0.17 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3caf n ASN 194 Cb 0.51 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 36.31 3caf n ASN 194 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3caf n GLY 195 N -1.64 2.65 3.52 7.41 0.00 -1.26 -5.01 105.19 110.86 3caf n GLY 195 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3caf n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3caf s LYS 196 N -0.13 2.23 0.02 1.61 1.02 -0.78 -5.01 119.74 118.70 3caf s LYS 196 Ca 0.00 -0.91 -0.38 0.00 0.02 0.00 0.00 55.97 54.70 3caf s LYS 196 Cb 0.00 -2.30 -0.17 0.00 -0.52 0.00 0.00 37.83 34.84 3caf s LYS 196 CO 0.00 0.55 1.35 -1.91 -0.92 0.00 0.00 175.35 174.42 3caf n GLU 197 N 1.42 0.96 -3.48 1.68 2.13 -1.26 -0.31 120.64 121.78 3caf n GLU 197 Ca -0.15 0.35 -0.40 0.00 0.66 0.00 0.00 57.16 57.61 3caf n GLU 197 Cb 0.52 -1.97 -0.10 0.00 0.27 0.00 0.00 31.44 30.16 3caf n GLU 197 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3caf s PHE 198 N 0.80 3.22 0.26 4.31 5.99 -1.09 -4.73 117.98 126.74 3caf s PHE 198 Ca 0.87 0.02 0.10 0.00 0.00 0.00 0.00 56.93 57.92 3caf s PHE 198 Cb -1.02 -2.54 -0.04 0.00 0.00 0.00 0.00 43.02 39.41 3caf s PHE 198 CO 0.51 -0.32 -0.04 0.15 -0.00 0.00 0.00 175.22 175.52 3caf s LYS 199 N 1.89 2.20 0.28 10.12 1.02 -1.26 -4.87 119.74 129.11 3caf s LYS 199 Ca 0.10 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.65 3caf s LYS 199 Cb -0.17 -2.12 0.65 0.00 -0.52 0.00 0.00 37.83 35.68 3caf s LYS 199 CO 0.11 0.37 1.66 1.96 -0.92 0.00 0.00 175.35 178.53 3caf h GLN 200 N 2.05 0.23 0.00 1.68 1.08 -1.94 0.40 115.11 118.60 3caf h GLN 200 Ca -0.44 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3caf h GLN 200 Cb 1.25 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3caf h GLN 200 CO 0.60 0.15 0.00 -0.85 -0.95 0.00 0.00 178.83 177.78 3caf n GLU 201 N -5.20 0.27 0.27 1.46 0.00 -1.26 -3.53 120.64 112.65 3caf n GLU 201 Ca 0.20 0.11 0.18 0.00 0.00 0.00 0.00 57.16 57.65 3caf n GLU 201 Cb 0.63 -1.50 0.73 0.00 0.00 0.00 0.00 31.44 31.30 3caf n GLU 201 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3caf h HIS 202 N 0.00 0.00 -3.99 -1.84 3.86 -0.59 -3.44 115.15 109.15 3caf h HIS 202 Ca 0.00 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.01 3caf h HIS 202 Cb 0.15 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 28.44 3caf h HIS 202 CO 0.00 0.00 -0.70 -0.98 0.86 0.00 0.00 177.93 177.11 3caf s ARG 203 N -3.70 0.60 0.15 2.45 1.70 -1.23 -5.05 118.95 113.88 3caf s ARG 203 Ca 0.01 -1.02 -0.17 0.00 -0.47 0.00 0.00 55.73 54.08 3caf s ARG 203 Cb 0.09 -0.07 0.02 0.00 -0.57 0.00 0.00 34.95 34.43 3caf s ARG 203 CO 0.52 -0.03 1.78 0.82 -1.08 0.00 0.00 175.30 177.31 3caf h ILE 204 N 3.74 1.00 0.00 4.99 1.08 -1.86 -1.79 117.51 124.67 3caf h ILE 204 Ca -0.34 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3caf h ILE 204 Cb 1.18 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.52 3caf h ILE 204 CO 0.54 0.07 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 3caf n GLY 205 N -1.20 -1.34 7.00 5.37 0.00 -1.26 -4.99 105.19 108.77 3caf n GLY 205 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3caf n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3caf n GLY 206 N 0.33 -0.30 3.29 -0.02 0.00 -0.68 -4.95 105.19 102.86 3caf n GLY 206 Ca 0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 3caf n GLY 206 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3caf s TYR 207 N 0.00 -0.15 -0.10 1.61 1.13 -1.26 -4.73 117.35 113.85 3caf s TYR 207 Ca 0.00 -0.03 -0.00 0.00 -1.41 0.00 0.00 57.07 55.62 3caf s TYR 207 Cb 0.00 0.16 -0.03 0.00 -1.10 0.00 0.00 41.96 40.99 3caf s TYR 207 CO 0.00 -0.58 -0.07 0.15 -2.51 0.00 0.00 175.55 172.54 3caf s LYS 208 N -3.00 3.09 -0.20 -3.49 -0.14 -0.06 -4.95 119.74 110.98 3caf s LYS 208 Ca -0.02 -0.56 -0.02 0.00 -1.36 0.00 0.00 55.97 54.01 3caf s LYS 208 Cb 0.01 -2.68 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 3caf s LYS 208 CO -0.06 0.48 -0.10 0.08 -0.76 0.00 0.00 175.35 174.99 3caf s VAL 209 N -0.32 2.92 -0.57 3.17 1.01 -1.26 -0.00 120.40 125.35 3caf s VAL 209 Ca 0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3caf s VAL 209 Cb -0.13 -2.30 0.15 0.00 0.00 0.00 0.00 36.38 34.11 3caf s VAL 209 CO 0.02 0.47 0.42 -0.60 0.00 0.00 0.00 175.10 175.42 3caf s ARG 210 N 1.34 2.61 0.31 2.72 3.52 -0.66 -4.97 118.95 123.82 3caf s ARG 210 Ca 0.04 -2.16 0.02 0.00 -0.13 0.00 0.00 55.73 53.51 3caf s ARG 210 Cb -0.14 -3.88 0.59 0.00 -1.56 0.00 0.00 34.95 29.96 3caf s ARG 210 CO -0.06 -1.18 1.91 -0.91 -0.81 0.00 0.00 175.30 174.24 3caf h ASN 211 N 7.78 0.85 -0.35 -2.12 2.35 -1.96 -0.24 115.58 121.89 3caf h ASN 211 Ca -0.08 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3caf h ASN 211 Cb 1.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 3caf h ASN 211 CO 0.77 0.53 0.22 1.56 -1.65 0.00 0.00 177.43 178.86 3caf h GLN 212 N 0.95 0.48 -0.27 0.81 7.50 -1.97 -2.55 115.11 120.05 3caf h GLN 212 Ca 0.40 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.51 3caf h GLN 212 Cb 0.29 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.72 3caf h GLN 212 CO -0.16 0.33 0.00 0.72 -1.50 0.00 0.00 178.83 178.22 3caf n HIS 213 N -4.47 0.35 -3.84 2.96 8.25 -0.61 -4.99 115.22 112.87 3caf n HIS 213 Ca 0.02 -0.27 -0.28 0.00 -0.26 0.00 0.00 57.72 56.93 3caf n HIS 213 Cb 0.07 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.21 3caf n HIS 213 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 3caf n TRP 214 N 0.89 -2.31 -4.22 4.41 7.02 -0.20 -4.67 117.44 118.36 3caf n TRP 214 Ca 0.13 0.91 -0.19 0.00 -1.02 0.00 0.00 57.50 57.33 3caf n TRP 214 Cb 0.45 -4.18 -0.12 0.00 -2.42 0.00 0.00 31.31 25.04 3caf n TRP 214 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3caf s SER 215 N -3.50 1.97 -0.15 -0.99 1.04 -1.00 -0.93 113.70 110.14 3caf s SER 215 Ca 0.54 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 56.22 3caf s SER 215 Cb -0.27 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 3caf s SER 215 CO 0.82 -0.08 -0.03 -0.22 0.98 0.00 0.00 173.24 174.70 3caf s LEU 216 N -2.09 3.31 -0.09 2.42 2.96 0.26 -1.65 118.68 123.81 3caf s LEU 216 Ca 0.04 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3caf s LEU 216 Cb -0.08 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.83 3caf s LEU 216 CO 0.03 0.20 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.47 3caf s ILE 217 N 0.19 1.46 -0.21 6.68 1.01 1.00 -0.60 121.20 130.73 3caf s ILE 217 Ca -0.01 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3caf s ILE 217 Cb -0.14 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.06 3caf s ILE 217 CO 0.03 0.43 -0.13 -0.04 0.00 0.00 0.00 174.94 175.23 3caf s MET 218 N 0.71 2.29 0.42 2.79 -1.94 -0.30 -0.88 119.30 122.38 3caf s MET 218 Ca -0.13 -0.96 -0.13 0.00 -1.71 0.00 0.00 55.69 52.77 3caf s MET 218 Cb -0.16 -2.56 -0.07 0.00 2.01 0.00 0.00 34.83 34.05 3caf s MET 218 CO 0.03 -0.41 0.82 -1.21 -0.01 0.00 0.00 175.02 174.23 3caf s GLU 219 N 1.30 3.86 -0.79 2.03 2.02 -1.26 -1.52 118.70 124.35 3caf s GLU 219 Ca -0.02 0.62 -0.02 0.00 0.02 0.00 0.00 54.97 55.57 3caf s GLU 219 Cb -0.16 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3caf s GLU 219 CO -0.08 -0.06 0.62 0.43 0.02 0.00 0.00 175.26 176.19 3caf n SER 220 N -1.19 -5.40 -4.75 -0.19 7.64 -0.94 -4.89 113.62 103.90 3caf n SER 220 Ca 0.04 -0.77 -0.36 0.00 1.01 0.00 0.00 58.87 58.79 3caf n SER 220 Cb 0.54 -2.31 0.03 0.00 -1.01 0.00 0.00 64.21 61.46 3caf n SER 220 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3caf s VAL 221 N -2.91 2.64 0.25 0.44 -7.23 0.16 -4.48 120.40 109.26 3caf s VAL 221 Ca 0.02 0.40 0.06 0.00 -1.81 0.00 0.00 61.98 60.66 3caf s VAL 221 Cb -0.00 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 3caf s VAL 221 CO 0.87 -0.08 -0.06 0.68 -0.31 0.00 0.00 175.10 176.20 3caf s VAL 222 N -1.58 1.47 0.29 1.32 -7.23 -1.26 0.77 120.40 114.18 3caf s VAL 222 Ca 0.76 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 3caf s VAL 222 Cb -0.31 -2.34 0.28 0.00 0.56 0.00 0.00 36.38 34.57 3caf s VAL 222 CO 0.33 -0.37 1.79 -0.65 -0.31 0.00 0.00 175.10 175.90 3caf h PRO 223 N 2.39 0.77 0.00 4.82 0.11 -1.96 -0.60 132.00 137.52 3caf h PRO 223 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3caf h PRO 223 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3caf h PRO 223 CO 0.66 0.51 0.00 -1.13 -0.21 0.00 0.00 178.00 177.83 3caf n SER 224 N -4.75 0.00 0.01 -2.05 3.41 -1.26 -1.74 113.62 107.24 3caf n SER 224 Ca 0.20 0.22 0.13 0.00 -0.26 0.00 0.00 58.87 59.16 3caf n SER 224 Cb 0.47 -0.31 0.37 0.00 -0.26 0.00 0.00 64.21 64.48 3caf n SER 224 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3caf n ASP 225 N -1.31 0.37 -4.71 4.04 8.00 -0.23 -4.91 116.55 117.80 3caf n ASP 225 Ca 0.03 0.07 -0.37 0.00 0.71 0.00 0.00 54.79 55.23 3caf n ASP 225 Cb 0.06 -0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.17 3caf n ASP 225 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3caf n LYS 226 N -1.59 1.20 -2.14 -1.24 0.00 -0.71 -4.89 118.16 108.78 3caf n LYS 226 Ca 0.06 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 3caf n LYS 226 Cb 0.35 -2.47 0.00 0.00 -0.00 0.00 0.00 35.03 32.91 3caf n LYS 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3caf n GLY 227 N 0.96 -0.70 3.71 2.58 0.00 -0.28 -4.97 105.19 106.48 3caf n GLY 227 Ca 0.14 -1.58 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 3caf n GLY 227 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3caf s ASN 228 N -1.95 6.46 -0.17 1.61 0.01 -1.26 0.68 114.94 120.31 3caf s ASN 228 Ca 0.00 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 3caf s ASN 228 Cb 0.00 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.46 3caf s ASN 228 CO 0.00 0.03 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.15 3caf s TYR 229 N 0.75 2.79 -0.12 2.20 1.51 0.26 0.64 117.35 125.37 3caf s TYR 229 Ca 0.18 -1.31 0.02 0.00 -1.01 0.00 0.00 57.07 54.96 3caf s TYR 229 Cb -0.14 -1.92 -0.00 0.00 -0.11 0.00 0.00 41.96 39.79 3caf s TYR 229 CO 0.06 -0.63 -0.20 0.99 -1.11 0.00 0.00 175.55 174.65 3caf s THR 230 N 1.09 2.34 -0.23 -0.71 2.01 -0.52 0.14 115.64 119.77 3caf s THR 230 Ca -0.00 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 60.94 3caf s THR 230 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 3caf s THR 230 CO -0.06 0.54 0.37 0.00 -0.69 0.00 0.00 174.62 174.78 3caf s VAL 232 N 1.51 4.78 -0.11 0.00 1.01 0.12 -2.35 120.40 125.34 3caf s VAL 232 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.15 3caf s VAL 232 Cb -0.15 -3.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 3caf s VAL 232 CO 0.08 0.38 -0.22 -0.69 0.00 0.00 0.00 175.10 174.65 3caf s VAL 233 N 1.01 2.21 0.07 2.92 1.01 -0.29 -0.76 120.40 126.56 3caf s VAL 233 Ca 0.05 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 3caf s VAL 233 Cb -0.14 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3caf s VAL 233 CO 0.03 0.55 0.24 -1.61 0.00 0.00 0.00 175.10 174.32 3caf s GLU 234 N 0.44 0.82 0.38 2.72 2.02 -0.10 -1.48 118.70 123.50 3caf s GLU 234 Ca -0.15 -0.73 -0.07 0.00 0.02 0.00 0.00 54.97 54.03 3caf s GLU 234 Cb -0.17 0.34 0.03 0.00 0.10 0.00 0.00 34.13 34.43 3caf s GLU 234 CO 0.06 -0.26 0.62 0.54 0.02 0.00 0.00 175.26 176.24 3caf s ASN 235 N -2.46 0.66 0.64 -0.19 2.20 -0.36 -1.10 114.94 114.34 3caf s ASN 235 Ca -0.00 -1.42 0.38 0.00 -0.94 0.00 0.00 52.86 50.88 3caf s ASN 235 Cb 0.02 0.76 2.14 0.00 -2.00 0.00 0.00 41.25 42.17 3caf s ASN 235 CO -0.07 -1.50 2.28 -0.33 -2.94 0.00 0.00 177.10 174.53 3caf h GLU 236 N 2.04 0.00 -0.02 3.55 5.08 -1.94 -2.39 114.58 120.89 3caf h GLU 236 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3caf h GLU 236 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3caf h GLU 236 CO 0.40 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.07 3caf n TYR 237 N -3.32 0.01 0.00 4.33 4.02 -1.26 -5.02 117.16 115.92 3caf n TYR 237 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 3caf n TYR 237 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3caf n TYR 237 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3caf n GLY 238 N 1.24 1.90 2.74 2.72 0.00 -0.90 -4.52 105.19 108.37 3caf n GLY 238 Ca 0.17 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 3caf n GLY 238 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3caf s SER 239 N 0.00 1.21 0.11 1.61 0.15 -1.26 -1.23 113.70 114.29 3caf s SER 239 Ca 0.00 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.70 3caf s SER 239 Cb 0.00 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.99 3caf s SER 239 CO 0.00 -0.20 -0.15 0.27 1.20 0.00 0.00 173.24 174.36 3caf s ILE 240 N 1.89 1.32 0.07 6.45 -4.36 -0.55 -4.98 121.20 121.04 3caf s ILE 240 Ca 0.02 -1.64 -0.02 0.00 -0.26 0.00 0.00 60.65 58.76 3caf s ILE 240 Cb -0.12 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.10 3caf s ILE 240 CO -0.04 -0.36 0.02 0.54 0.24 0.00 0.00 174.94 175.34 3caf s ASN 241 N -2.30 0.40 0.02 4.36 4.22 -1.26 -1.13 114.94 119.26 3caf s ASN 241 Ca 0.07 -0.98 -0.02 0.00 -2.14 0.00 0.00 52.86 49.79 3caf s ASN 241 Cb -0.06 0.24 -0.02 0.00 1.28 0.00 0.00 41.25 42.69 3caf s ASN 241 CO 0.03 -0.64 0.01 -2.28 -2.04 0.00 0.00 177.10 172.18 3caf s HIS 242 N -3.93 0.23 -0.03 1.54 2.46 -0.99 -5.00 115.29 109.56 3caf s HIS 242 Ca 0.10 -0.48 0.03 0.00 0.47 0.00 0.00 55.06 55.17 3caf s HIS 242 Cb 0.07 -0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.35 3caf s HIS 242 CO -0.08 -0.23 -0.11 0.99 -2.47 0.00 0.00 174.74 172.84 3caf s THR 243 N -1.66 0.96 0.13 0.89 2.01 -1.26 -1.60 115.64 115.11 3caf s THR 243 Ca -0.14 -0.45 0.08 0.00 0.31 0.00 0.00 61.69 61.49 3caf s THR 243 Cb -0.08 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.55 3caf s THR 243 CO -0.01 0.29 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.79 3caf s TYR 244 N 0.17 2.68 -0.15 4.92 1.51 0.12 -4.89 117.35 121.71 3caf s TYR 244 Ca -0.04 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.83 3caf s TYR 244 Cb -0.10 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3caf s TYR 244 CO 0.01 0.45 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.19 3caf s HIS 245 N -1.37 2.81 -0.21 2.71 2.46 0.12 0.91 115.29 122.73 3caf s HIS 245 Ca 0.22 -0.87 -0.04 0.00 0.47 0.00 0.00 55.06 54.83 3caf s HIS 245 Cb -0.10 -1.89 -0.02 0.00 -0.13 0.00 0.00 32.58 30.44 3caf s HIS 245 CO 0.14 -0.38 -0.02 -1.17 -2.47 0.00 0.00 174.74 170.84 3caf s LEU 246 N 0.69 3.10 -0.12 8.88 2.96 0.21 -0.39 118.68 134.02 3caf s LEU 246 Ca -0.06 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3caf s LEU 246 Cb -0.15 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3caf s LEU 246 CO 0.02 0.04 -0.18 -0.62 -1.32 0.00 0.00 176.35 174.28 3caf s ASP 247 N 1.16 3.54 -0.39 3.68 3.68 0.80 -1.13 116.67 128.02 3caf s ASP 247 Ca 0.02 -0.45 -0.12 0.00 2.13 0.00 0.00 52.55 54.13 3caf s ASP 247 Cb -0.14 -1.51 0.03 0.00 -1.45 0.00 0.00 42.92 39.84 3caf s ASP 247 CO 0.00 0.15 0.24 -0.69 0.13 0.00 0.00 175.17 175.00 3caf s VAL 248 N 0.43 4.77 -2.00 1.11 1.01 -1.26 -0.44 120.40 124.01 3caf s VAL 248 Ca -0.13 -0.83 0.11 0.00 0.00 0.00 0.00 61.98 61.12 3caf s VAL 248 Cb -0.17 -3.67 0.30 0.00 0.00 0.00 0.00 36.38 32.84 3caf s VAL 248 CO 0.06 -0.27 1.07 0.52 0.00 0.00 0.00 175.10 176.48