#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4m h ASP 170 N 0.00 0.00 0.53 0.00 3.32 -1.96 -2.96 116.42 115.35 3b4m h ASP 170 Ca 0.00 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 3b4m h ASP 170 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3b4m h ASP 170 CO 0.00 0.01 -0.24 0.00 -1.72 0.00 0.00 179.24 177.29 3b4m h ALA 171 N 2.06 1.22 -0.21 3.45 0.00 -2.01 -3.19 119.26 120.58 3b4m h ALA 171 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3b4m h ALA 171 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3b4m h ALA 171 CO 0.00 0.30 0.00 0.54 0.00 0.00 0.00 179.25 180.09 3b4m n ARG 172 N -3.70 1.84 -4.08 0.00 1.74 -1.21 -4.80 116.66 106.44 3b4m n ARG 172 Ca -0.01 -1.69 -0.33 0.00 -0.77 0.00 0.00 57.85 55.05 3b4m n ARG 172 Cb 0.35 -1.27 -0.07 0.00 -1.02 0.00 0.00 32.46 30.46 3b4m n ARG 172 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3b4m s SER 173 N -1.01 5.71 0.03 0.55 0.01 -1.12 -0.43 113.70 117.44 3b4m s SER 173 Ca 0.20 0.14 0.06 0.00 1.31 0.00 0.00 55.95 57.66 3b4m s SER 173 Cb 0.12 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 3b4m s SER 173 CO 0.16 0.26 -0.15 0.27 0.41 0.00 0.00 173.24 174.20 3b4m s ILE 174 N -1.23 3.05 0.09 1.44 -4.36 0.13 -2.34 121.20 117.99 3b4m s ILE 174 Ca 0.24 -1.08 -0.25 0.00 -0.26 0.00 0.00 60.65 59.30 3b4m s ILE 174 Cb -0.12 -2.31 -0.06 0.00 1.25 0.00 0.00 42.46 41.22 3b4m s ILE 174 CO 0.15 0.34 0.78 -0.47 0.24 0.00 0.00 174.94 175.98 3b4m s TYR 175 N -0.96 3.80 -0.35 1.37 5.04 -0.30 -0.96 117.35 124.99 3b4m s TYR 175 Ca 0.16 1.55 0.03 0.00 -2.44 0.00 0.00 57.07 56.36 3b4m s TYR 175 Cb -0.11 -2.81 0.10 0.00 0.35 0.00 0.00 41.96 39.49 3b4m s TYR 175 CO 0.06 0.35 0.08 0.08 -1.34 0.00 0.00 175.55 174.79 3b4m s VAL 176 N -0.43 2.49 0.65 3.14 1.01 0.80 -2.59 120.40 125.47 3b4m s VAL 176 Ca 0.38 -2.28 -0.13 0.00 0.00 0.00 0.00 61.98 59.95 3b4m s VAL 176 Cb -0.22 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3b4m s VAL 176 CO 0.24 -0.61 1.07 -0.83 0.00 0.00 0.00 175.10 174.97 3b4m s GLY 177 N 1.09 1.92 -0.83 4.51 0.00 0.19 -1.65 107.32 112.55 3b4m s GLY 177 Ca 0.10 0.28 -0.05 0.00 0.00 0.00 0.00 44.72 45.06 3b4m s GLY 177 CO -0.07 0.60 0.73 -2.01 0.00 0.00 0.00 173.10 172.35 3b4m n ASN 178 N -2.61 -5.78 -4.24 1.64 5.15 -1.18 -2.66 115.26 105.56 3b4m n ASN 178 Ca 0.08 -0.54 -0.33 0.00 -0.60 0.00 0.00 54.58 53.19 3b4m n ASN 178 Cb 0.53 -4.29 -0.16 0.00 -0.53 0.00 0.00 39.78 35.33 3b4m n ASN 178 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3b4m s VAL 179 N -3.30 2.46 0.91 3.44 1.01 -0.86 -4.64 120.40 119.42 3b4m s VAL 179 Ca 0.35 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3b4m s VAL 179 Cb -0.05 -2.01 0.21 0.00 0.00 0.00 0.00 36.38 34.53 3b4m s VAL 179 CO 0.59 0.53 1.24 -0.90 0.00 0.00 0.00 175.10 176.56 3b4m n ASP 180 N 3.93 0.10 -0.82 3.32 5.75 -1.26 -3.83 116.55 123.74 3b4m n ASP 180 Ca -0.19 -1.45 0.07 0.00 -0.01 0.00 0.00 54.79 53.20 3b4m n ASP 180 Cb 0.52 -0.95 0.19 0.00 -1.03 0.00 0.00 41.12 39.85 3b4m n ASP 180 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b4m n TYR 181 N -3.71 0.61 0.22 2.11 0.18 -1.26 -3.12 117.16 112.20 3b4m n TYR 181 Ca 0.15 -0.29 0.03 0.00 1.88 0.00 0.00 57.90 59.67 3b4m n TYR 181 Cb 0.54 -0.02 0.02 0.00 -0.38 0.00 0.00 39.34 39.50 3b4m n TYR 181 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3b4m n GLY 182 N 1.12 -0.87 3.70 -7.48 0.00 -1.26 -4.98 105.19 95.41 3b4m n GLY 182 Ca 0.14 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3b4m n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b4m s ALA 183 N -0.47 3.71 0.11 4.61 0.00 -1.18 -5.03 121.76 123.51 3b4m s ALA 183 Ca 0.06 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3b4m s ALA 183 Cb 0.05 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3b4m s ALA 183 CO 0.07 -1.01 -0.03 0.95 0.00 0.00 0.00 175.76 175.74 3b4m s THR 184 N 2.21 3.79 0.33 0.00 -4.23 -1.26 -5.02 115.64 111.46 3b4m s THR 184 Ca 0.73 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.14 3b4m s THR 184 Cb -0.41 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 70.92 3b4m s THR 184 CO 0.32 0.08 1.90 0.00 -0.54 0.00 0.00 174.62 176.37 3b4m h ALA 185 N 3.35 1.67 -0.35 3.99 0.00 -1.96 -0.97 119.26 124.99 3b4m h ALA 185 Ca -0.48 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.46 3b4m h ALA 185 Cb 1.17 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3b4m h ALA 185 CO 0.57 0.15 -0.20 0.39 0.00 0.00 0.00 179.25 180.15 3b4m n GLU 186 N -4.53 -0.15 0.13 0.00 -0.58 -1.26 -2.84 120.64 111.41 3b4m n GLU 186 Ca 0.15 0.81 0.03 0.00 -0.42 0.00 0.00 57.16 57.73 3b4m n GLU 186 Cb 0.32 -1.19 0.02 0.00 -0.57 0.00 0.00 31.44 30.02 3b4m n GLU 186 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3b4m h GLU 187 N 0.00 0.00 -0.16 3.49 5.08 -1.61 -3.19 114.58 118.20 3b4m h GLU 187 Ca 0.06 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3b4m h GLU 187 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3b4m h GLU 187 CO -0.32 0.43 -0.30 -0.07 -1.00 0.00 0.00 179.01 177.74 3b4m h LEU 188 N 0.00 0.54 0.30 1.33 3.38 -1.37 -1.89 115.31 117.60 3b4m h LEU 188 Ca -0.02 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3b4m h LEU 188 Cb 1.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3b4m h LEU 188 CO 0.06 0.99 -0.35 -0.08 0.09 0.00 0.00 178.44 179.14 3b4m h GLU 189 N 0.11 -0.67 -0.99 1.13 4.22 -1.61 -2.58 114.58 114.19 3b4m h GLU 189 Ca 0.01 0.05 0.26 0.00 0.08 0.00 0.00 59.36 59.75 3b4m h GLU 189 Cb 0.89 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 30.16 3b4m h GLU 189 CO 0.07 -0.45 0.56 0.00 -2.18 0.00 0.00 179.01 177.00 3b4m h ALA 190 N -0.20 1.76 0.00 2.92 0.00 -1.53 0.80 119.26 123.01 3b4m h ALA 190 Ca -0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3b4m h ALA 190 Cb 0.65 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3b4m h ALA 190 CO -0.10 -0.34 -0.11 1.25 0.00 0.00 0.00 179.25 179.95 3b4m h HIS 191 N 0.50 0.00 -0.07 0.00 -0.00 -0.95 -2.96 115.15 111.67 3b4m h HIS 191 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.02 3b4m h HIS 191 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3b4m h HIS 191 CO -0.03 0.11 0.00 1.19 -0.00 0.00 0.00 177.93 179.20 3b4m n PHE 192 N -3.39 0.10 -0.10 5.26 3.72 0.13 -4.67 117.46 118.50 3b4m n PHE 192 Ca -0.01 -0.38 0.10 0.00 -0.05 0.00 0.00 57.45 57.12 3b4m n PHE 192 Cb 0.29 -0.03 0.46 0.00 -0.94 0.00 0.00 39.48 39.26 3b4m n PHE 192 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3b4m h HIS 193 N 0.56 0.51 -0.02 1.38 2.76 0.56 -1.71 115.15 119.19 3b4m h HIS 193 Ca 0.00 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3b4m h HIS 193 Cb 0.46 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 3b4m h HIS 193 CO 0.05 0.25 0.02 0.78 -1.30 0.00 0.00 177.93 177.73 3b4m h GLY 194 N 0.49 0.00 1.50 5.26 0.00 -1.83 -2.92 103.07 105.57 3b4m h GLY 194 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3b4m h GLY 194 CO -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.17 3b4m n GLY 196 N 1.45 3.15 3.61 0.00 0.00 -1.10 -4.55 105.19 107.74 3b4m n GLY 196 Ca 0.06 -1.90 -0.61 0.00 0.00 0.00 0.00 46.02 43.57 3b4m n GLY 196 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3b4m n SER 197 N 0.00 0.74 -4.65 1.61 2.88 -1.26 -4.72 113.62 108.22 3b4m n SER 197 Ca 0.00 1.16 -0.35 0.00 -1.33 0.00 0.00 58.87 58.35 3b4m n SER 197 Cb 0.00 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.41 3b4m n SER 197 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3b4m s VAL 198 N 1.30 4.41 -0.19 2.46 1.01 -1.26 -1.32 120.40 126.81 3b4m s VAL 198 Ca 0.96 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 3b4m s VAL 198 Cb -1.30 -2.91 -0.20 0.00 0.00 0.00 0.00 36.38 31.97 3b4m s VAL 198 CO 0.65 0.55 0.11 0.59 0.00 0.00 0.00 175.10 177.00 3b4m n ASN 199 N 2.72 2.00 -3.73 3.32 5.03 0.23 -4.83 115.26 119.99 3b4m n ASN 199 Ca -0.18 0.23 -0.12 0.00 0.87 0.00 0.00 54.58 55.39 3b4m n ASN 199 Cb 0.53 -0.81 -0.11 0.00 -1.02 0.00 0.00 39.78 38.36 3b4m n ASN 199 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3b4m s ARG 200 N -2.49 0.33 -0.16 3.52 3.52 -1.15 -5.03 118.95 117.50 3b4m s ARG 200 Ca -0.29 0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 55.85 3b4m s ARG 200 Cb 0.08 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.46 3b4m s ARG 200 CO 0.64 -0.12 0.01 0.08 -0.81 0.00 0.00 175.30 175.10 3b4m s VAL 201 N 0.91 4.30 -0.17 7.11 1.01 -1.26 -1.67 120.40 130.63 3b4m s VAL 201 Ca -0.06 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3b4m s VAL 201 Cb -0.07 -2.90 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3b4m s VAL 201 CO -0.07 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.46 3b4m s THR 202 N 0.18 1.91 -0.18 3.92 2.01 -0.45 -4.98 115.64 118.06 3b4m s THR 202 Ca 0.01 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 3b4m s THR 202 Cb -0.13 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 3b4m s THR 202 CO 0.02 0.49 0.00 -0.63 -0.69 0.00 0.00 174.62 173.81 3b4m s ILE 203 N 1.34 4.16 -0.08 1.82 1.01 -1.26 0.12 121.20 128.32 3b4m s ILE 203 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.47 3b4m s ILE 203 Cb -0.13 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.46 3b4m s ILE 203 CO -0.12 0.46 -0.17 -0.76 0.00 0.00 0.00 174.94 174.35 3b4m s LEU 204 N 0.56 2.53 -0.02 2.97 1.02 -0.12 -4.99 118.68 120.62 3b4m s LEU 204 Ca -0.01 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 53.82 3b4m s LEU 204 Cb -0.14 -1.52 0.02 0.00 0.02 0.00 0.00 46.19 44.57 3b4m s LEU 204 CO 0.02 0.26 -0.02 0.00 0.02 0.00 0.00 176.35 176.63 3b4m n ASP 206 N 3.82 2.33 -4.01 0.00 8.00 0.32 -4.94 116.55 122.06 3b4m n ASP 206 Ca -0.23 -1.65 -0.15 0.00 0.71 0.00 0.00 54.79 53.46 3b4m n ASP 206 Cb 0.52 -0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 41.45 3b4m n ASP 206 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3b4m s LYS 207 N -1.17 0.52 -0.07 -1.24 -0.14 -1.21 -4.93 119.74 111.50 3b4m s LYS 207 Ca 0.18 -0.43 0.10 0.00 -1.36 0.00 0.00 55.97 54.46 3b4m s LYS 207 Cb 0.12 -0.43 0.15 0.00 -1.68 0.00 0.00 37.83 36.00 3b4m s LYS 207 CO 0.18 0.11 1.08 1.19 -0.76 0.00 0.00 175.35 177.14 3b4m n PHE 208 N 2.36 0.00 -3.61 3.18 3.72 -1.26 -4.56 117.46 117.28 3b4m n PHE 208 Ca -0.17 -0.51 0.01 0.00 -0.05 0.00 0.00 57.45 56.73 3b4m n PHE 208 Cb 0.57 -0.10 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 3b4m n PHE 208 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3b4m s SER 209 N -1.95 -0.06 0.65 4.37 1.04 -1.26 -5.05 113.70 111.44 3b4m s SER 209 Ca 0.16 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3b4m s SER 209 Cb 0.14 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.40 3b4m s SER 209 CO 0.01 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3b4m n GLY 210 N -0.42 0.43 3.71 7.32 0.00 -1.26 -4.58 105.19 110.40 3b4m n GLY 210 Ca -0.07 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3b4m n GLY 210 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b4m s HIS 211 N 0.00 2.77 0.58 1.61 3.76 -1.26 -4.96 115.29 117.79 3b4m s HIS 211 Ca 0.00 0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 55.23 3b4m s HIS 211 Cb 0.00 -4.01 -0.04 0.00 1.11 0.00 0.00 32.58 29.64 3b4m s HIS 211 CO 0.00 -3.89 0.97 -1.25 -0.85 0.00 0.00 174.74 169.72 3b4m s PRO 212 N 1.68 3.61 -0.19 8.40 0.04 -1.26 -4.89 135.00 142.39 3b4m s PRO 212 Ca 0.73 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 3b4m s PRO 212 Cb -0.44 -2.15 0.09 0.00 0.04 0.00 0.00 34.50 32.04 3b4m s PRO 212 CO 0.32 -0.46 0.32 0.21 0.04 0.00 0.00 177.00 177.43 3b4m s LYS 213 N -4.99 0.25 0.00 4.56 2.20 -1.26 -4.98 119.74 115.51 3b4m s LYS 213 Ca 0.54 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 3b4m s LYS 213 Cb -0.11 -0.29 0.00 0.00 -1.51 0.00 0.00 37.83 35.92 3b4m s LYS 213 CO 0.50 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 3b4m n GLY 214 N 5.36 1.52 1.60 5.54 0.00 -1.25 -0.52 105.19 117.44 3b4m n GLY 214 Ca -0.06 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 3b4m n GLY 214 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3b4m n PHE 215 N -0.62 -1.01 -3.88 1.61 1.16 -0.81 -2.03 117.46 111.88 3b4m n PHE 215 Ca 0.00 -1.07 -0.09 0.00 -1.87 0.00 0.00 57.45 54.41 3b4m n PHE 215 Cb 0.00 0.28 -0.07 0.00 -1.61 0.00 0.00 39.48 38.09 3b4m n PHE 215 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3b4m s ALA 216 N -2.05 -0.23 -0.06 1.98 0.00 -0.66 -0.94 121.76 119.79 3b4m s ALA 216 Ca 0.13 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.46 3b4m s ALA 216 Cb -0.01 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3b4m s ALA 216 CO 0.09 -0.61 -0.18 0.71 0.00 0.00 0.00 175.76 175.78 3b4m s TYR 217 N -3.91 2.62 -0.19 0.00 2.02 0.32 -0.14 117.35 118.07 3b4m s TYR 217 Ca 0.11 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3b4m s TYR 217 Cb 0.03 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 3b4m s TYR 217 CO -0.05 0.02 -0.15 0.42 -1.57 0.00 0.00 175.55 174.22 3b4m s ILE 218 N -0.44 2.50 -0.39 2.71 -1.09 -0.13 -1.34 121.20 123.02 3b4m s ILE 218 Ca 0.05 -0.79 -0.12 0.00 -2.23 0.00 0.00 60.65 57.56 3b4m s ILE 218 Cb -0.12 -2.09 0.04 0.00 -1.58 0.00 0.00 42.46 38.71 3b4m s ILE 218 CO 0.02 0.50 0.24 -0.70 -1.23 0.00 0.00 174.94 173.77 3b4m s GLU 219 N 1.35 2.82 0.79 2.79 2.12 -0.67 0.21 118.70 128.12 3b4m s GLU 219 Ca 0.05 -1.13 -0.11 0.00 0.36 0.00 0.00 54.97 54.14 3b4m s GLU 219 Cb -0.13 -3.80 0.08 0.00 0.26 0.00 0.00 34.13 30.53 3b4m s GLU 219 CO -0.10 -0.76 1.16 -0.06 -0.54 0.00 0.00 175.26 174.96 3b4m s PHE 220 N 1.56 2.95 0.07 5.30 0.08 0.43 -0.60 117.98 127.78 3b4m s PHE 220 Ca 0.03 0.72 -0.07 0.00 0.12 0.00 0.00 56.93 57.72 3b4m s PHE 220 Cb -0.20 -3.45 -0.27 0.00 -0.57 0.00 0.00 43.02 38.53 3b4m s PHE 220 CO 0.07 -1.72 1.14 0.77 -0.10 0.00 0.00 175.22 175.38 3b4m h SER 221 N -0.99 0.54 -3.08 1.36 0.02 -1.50 -3.42 113.55 106.48 3b4m h SER 221 Ca -0.46 -0.55 -0.64 0.00 -0.84 0.00 0.00 61.79 59.29 3b4m h SER 221 Cb 1.33 -0.18 -0.17 0.00 0.14 0.00 0.00 62.40 63.52 3b4m h SER 221 CO 0.65 1.42 -0.78 -1.81 -1.14 0.00 0.00 176.83 175.16 3b4m s ASP 222 N -7.24 3.74 0.17 3.07 1.01 -1.26 -5.05 116.67 111.11 3b4m s ASP 222 Ca -0.05 -0.77 -0.15 0.00 0.71 0.00 0.00 52.55 52.29 3b4m s ASP 222 Cb 0.07 -0.43 0.05 0.00 1.01 0.00 0.00 42.92 43.62 3b4m s ASP 222 CO 0.90 0.11 1.83 0.11 0.21 0.00 0.00 175.17 178.32 3b4m h LYS 223 N 3.05 0.62 -0.98 8.23 1.57 -1.89 -3.14 116.57 124.03 3b4m h LYS 223 Ca -0.46 -0.04 0.28 0.00 -1.87 0.00 0.00 60.65 58.56 3b4m h LYS 223 Cb 1.21 -0.14 -0.18 0.00 0.08 0.00 0.00 32.23 33.20 3b4m h LYS 223 CO 0.51 0.41 0.10 0.93 -0.57 0.00 0.00 179.45 180.83 3b4m h GLU 224 N 0.63 0.02 0.00 3.15 5.08 -1.96 0.23 114.58 121.74 3b4m h GLU 224 Ca 0.18 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3b4m h GLU 224 Cb -0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.19 3b4m h GLU 224 CO -0.05 0.02 0.13 0.77 -1.00 0.00 0.00 179.01 178.87 3b4m h SER 225 N 0.02 0.00 0.34 1.42 0.02 -1.78 -2.93 113.55 110.65 3b4m h SER 225 Ca 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.55 3b4m h SER 225 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3b4m h SER 225 CO -0.88 0.00 -0.16 0.58 -1.14 0.00 0.00 176.83 175.22 3b4m h VAL 226 N 0.00 0.06 -0.81 2.27 2.07 -0.73 -1.54 116.25 117.57 3b4m h VAL 226 Ca 0.00 -0.69 0.20 0.00 0.82 0.00 0.00 66.70 67.03 3b4m h VAL 226 Cb 0.26 0.10 -0.14 0.00 -1.52 0.00 0.00 31.29 29.99 3b4m h VAL 226 CO 0.00 0.02 0.09 0.03 0.02 0.00 0.00 177.57 177.73 3b4m h ARG 227 N -1.11 0.14 0.42 1.57 3.08 -1.68 -2.42 114.38 114.37 3b4m h ARG 227 Ca -0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3b4m h ARG 227 Cb 0.38 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3b4m h ARG 227 CO 0.08 0.09 -0.48 1.15 -1.07 0.00 0.00 179.97 179.74 3b4m h THR 228 N 0.15 0.05 0.00 2.04 2.02 -1.60 -3.11 112.91 112.46 3b4m h THR 228 Ca 0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.65 3b4m h THR 228 Cb 0.87 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3b4m h THR 228 CO -0.66 0.00 0.16 0.77 0.37 0.00 0.00 175.52 176.15 3b4m h SER 229 N -0.92 0.00 0.19 4.18 4.64 -0.77 -0.49 113.55 120.37 3b4m h SER 229 Ca -0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3b4m h SER 229 Cb 0.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3b4m h SER 229 CO -0.10 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 175.77 3b4m h LEU 230 N 0.00 0.00 -1.38 5.97 3.38 -1.45 -1.71 115.31 120.11 3b4m h LEU 230 Ca 0.00 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3b4m h LEU 230 Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3b4m h LEU 230 CO 0.00 0.02 0.53 0.00 0.09 0.00 0.00 178.44 179.08 3b4m h ALA 231 N 1.98 1.85 -0.01 1.53 0.00 -1.27 -1.66 119.26 121.68 3b4m h ALA 231 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3b4m h ALA 231 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3b4m h ALA 231 CO 0.00 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.49 3b4m n LEU 232 N -4.52 0.49 -4.72 0.00 4.77 -0.64 -4.84 117.00 107.54 3b4m n LEU 232 Ca 0.14 -0.17 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 3b4m n LEU 232 Cb 0.40 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3b4m n LEU 232 CO 0.32 0.09 0.95 -0.67 -1.33 0.00 0.00 177.39 176.74 3b4m n ASP 233 N -0.59 2.89 -0.69 -1.43 4.64 -0.63 -1.87 116.55 118.88 3b4m n ASP 233 Ca 0.21 1.15 -0.09 0.00 -1.38 0.00 0.00 54.79 54.68 3b4m n ASP 233 Cb 0.18 -1.53 -0.04 0.00 -1.04 0.00 0.00 41.12 38.69 3b4m n ASP 233 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3b4m n GLU 234 N 0.17 -1.71 -2.30 -0.67 1.02 0.24 -4.95 120.64 112.44 3b4m n GLU 234 Ca 0.05 0.81 -0.25 0.00 -0.02 0.00 0.00 57.16 57.74 3b4m n GLU 234 Cb 0.39 -5.22 0.09 0.00 -0.02 0.00 0.00 31.44 26.68 3b4m n GLU 234 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3b4m s SER 235 N -2.35 4.46 -0.45 1.62 1.04 -0.78 -4.74 113.70 112.50 3b4m s SER 235 Ca 0.00 0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.43 3b4m s SER 235 Cb 0.00 -0.67 0.04 0.00 0.10 0.00 0.00 66.02 65.49 3b4m s SER 235 CO 0.00 -1.81 0.42 -0.76 0.98 0.00 0.00 173.24 172.07 3b4m s LEU 236 N -5.28 5.19 -0.18 2.42 1.43 -1.26 -2.25 118.68 118.76 3b4m s LEU 236 Ca 0.64 -0.98 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 3b4m s LEU 236 Cb -0.08 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3b4m s LEU 236 CO 0.45 -0.62 -0.01 0.12 0.23 0.00 0.00 176.35 176.53 3b4m s PHE 237 N 1.93 3.06 -1.47 0.29 5.36 -0.57 -4.64 117.98 121.94 3b4m s PHE 237 Ca 0.08 -0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 55.74 3b4m s PHE 237 Cb -0.20 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 3b4m s PHE 237 CO 0.10 -0.09 0.25 0.54 -1.46 0.00 0.00 175.22 174.56 3b4m n ARG 238 N 3.83 -2.30 -2.46 10.12 1.74 -1.26 -1.42 116.66 124.90 3b4m n ARG 238 Ca -0.17 0.27 -0.20 0.00 -0.77 0.00 0.00 57.85 56.99 3b4m n ARG 238 Cb 0.52 -4.14 -0.00 0.00 -1.02 0.00 0.00 32.46 27.82 3b4m n ARG 238 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b4m n GLY 239 N -2.23 -0.43 3.30 -0.13 0.00 -1.26 -5.00 105.19 99.43 3b4m n GLY 239 Ca -0.31 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 3b4m n GLY 239 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3b4m s ARG 240 N -5.07 0.91 -0.37 1.61 1.70 -0.51 -5.10 118.95 112.11 3b4m s ARG 240 Ca 0.05 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.56 3b4m s ARG 240 Cb -0.02 0.40 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 3b4m s ARG 240 CO 0.06 -0.31 1.07 -0.65 -1.08 0.00 0.00 175.30 174.38 3b4m s GLN 241 N -2.69 3.95 0.24 3.89 -0.21 -1.26 -1.51 119.66 122.07 3b4m s GLN 241 Ca -0.04 0.87 -0.10 0.00 0.02 0.00 0.00 55.36 56.11 3b4m s GLN 241 Cb -0.00 -3.79 -0.07 0.00 1.00 0.00 0.00 33.01 30.14 3b4m s GLN 241 CO -0.04 -1.03 0.56 0.96 -2.12 0.00 0.00 175.29 173.62 3b4m s ILE 242 N 3.83 4.92 -0.24 1.08 -4.36 -0.95 -4.74 121.20 120.73 3b4m s ILE 242 Ca 0.45 0.49 -0.11 0.00 -0.26 0.00 0.00 60.65 61.22 3b4m s ILE 242 Cb -0.11 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.93 3b4m s ILE 242 CO 0.20 -0.09 0.18 -0.54 0.24 0.00 0.00 174.94 174.93 3b4m s LYS 243 N -2.86 4.07 -0.31 0.37 -0.14 -1.09 -0.60 119.74 119.19 3b4m s LYS 243 Ca 0.48 -0.25 -0.02 0.00 -1.36 0.00 0.00 55.97 54.82 3b4m s LYS 243 Cb -0.11 -3.55 0.05 0.00 -1.68 0.00 0.00 37.83 32.55 3b4m s LYS 243 CO 0.21 0.04 0.03 0.08 -0.76 0.00 0.00 175.35 174.95 3b4m s VAL 244 N 1.12 3.07 0.01 3.17 1.01 -1.26 0.57 120.40 128.09 3b4m s VAL 244 Ca 0.08 -1.44 0.04 0.00 0.00 0.00 0.00 61.98 60.67 3b4m s VAL 244 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3b4m s VAL 244 CO 0.05 -0.17 -0.13 0.27 0.00 0.00 0.00 175.10 175.12 3b4m s ILE 245 N 1.25 0.99 0.53 2.22 -4.36 -1.07 -4.75 121.20 116.01 3b4m s ILE 245 Ca -0.04 -0.74 -0.22 0.00 -0.26 0.00 0.00 60.65 59.39 3b4m s ILE 245 Cb -0.20 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 3b4m s ILE 245 CO -0.01 0.12 1.36 -2.84 0.24 0.00 0.00 174.94 173.81 3b4m s PRO 246 N -0.71 3.21 0.00 0.37 0.02 -1.26 -1.15 135.00 135.48 3b4m s PRO 246 Ca 0.03 2.25 0.27 0.00 0.02 0.00 0.00 61.00 63.56 3b4m s PRO 246 Cb -0.06 -2.30 1.58 0.00 0.02 0.00 0.00 34.50 33.74 3b4m s PRO 246 CO 0.00 -1.14 1.93 1.17 -0.33 0.00 0.00 177.00 178.64