#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4f s ARG 46 N 0.00 3.91 0.06 -1.46 1.70 -1.26 -4.96 118.95 116.94 1u4f s ARG 46 Ca 0.00 0.48 0.09 0.00 -0.47 0.00 0.00 55.73 55.83 1u4f s ARG 46 Cb 0.00 -2.57 -0.22 0.00 -0.57 0.00 0.00 34.95 31.59 1u4f s ARG 46 CO 0.00 0.25 1.04 0.35 -1.08 0.00 0.00 175.30 175.86 1u4f h PHE 47 N 2.48 0.01 -3.55 5.89 3.57 -1.96 -3.41 116.94 119.97 1u4f h PHE 47 Ca -0.47 -0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.44 1u4f h PHE 47 Cb 1.17 -0.00 -0.33 0.00 2.79 0.00 0.00 35.95 39.59 1u4f h PHE 47 CO 0.62 1.00 -0.84 0.08 -2.23 0.00 0.00 178.31 176.94 1u4f s VAL 48 N -2.67 1.50 0.64 1.41 1.01 -1.26 -0.16 120.40 120.87 1u4f s VAL 48 Ca -0.01 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1u4f s VAL 48 Cb 0.09 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1u4f s VAL 48 CO 0.82 0.43 0.95 -0.54 0.00 0.00 0.00 175.10 176.77 1u4f s LYS 49 N 0.37 2.66 0.48 2.72 1.02 0.09 -4.95 119.74 122.14 1u4f s LYS 49 Ca -0.13 -0.07 0.33 0.00 0.02 0.00 0.00 55.97 56.12 1u4f s LYS 49 Cb -0.15 -2.22 1.65 0.00 -0.52 0.00 0.00 37.83 36.58 1u4f s LYS 49 CO 0.05 -0.91 1.99 0.87 -0.92 0.00 0.00 175.35 176.43 1u4f h LYS 50 N -0.35 0.00 -0.01 1.68 1.79 -2.01 -1.01 116.57 116.66 1u4f h LYS 50 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1u4f h LYS 50 Cb 1.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1u4f h LYS 50 CO 0.61 0.00 -0.19 -0.40 -1.08 0.00 0.00 179.45 178.38 1u4f n ASP 51 N -2.70 1.32 0.00 0.86 5.68 -1.26 -4.95 116.55 115.51 1u4f n ASP 51 Ca -0.01 -1.16 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 1u4f n ASP 51 Cb 0.12 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1u4f n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u4f n GLY 52 N 1.30 0.53 3.79 6.12 0.00 -0.38 -5.06 105.19 111.48 1u4f n GLY 52 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1u4f n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u4f s HIS 53 N -2.21 3.82 -0.04 1.61 3.76 -1.26 -4.78 115.29 116.20 1u4f s HIS 53 Ca 0.00 1.61 -0.17 0.00 -0.15 0.00 0.00 55.06 56.35 1u4f s HIS 53 Cb 0.00 -2.76 -0.05 0.00 1.11 0.00 0.00 32.58 30.88 1u4f s HIS 53 CO 0.00 0.43 0.46 0.00 -0.85 0.00 0.00 174.74 174.78 1u4f n ASN 55 N 2.55 7.99 -4.05 0.00 5.15 0.78 -4.87 115.26 122.81 1u4f n ASN 55 Ca -0.11 -2.77 -0.24 0.00 -0.60 0.00 0.00 54.58 50.86 1u4f n ASN 55 Cb 0.52 -1.46 -0.16 0.00 -0.53 0.00 0.00 39.78 38.14 1u4f n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1u4f s VAL 56 N 0.74 1.14 -0.09 3.44 0.11 -1.26 -1.98 120.40 122.49 1u4f s VAL 56 Ca 0.64 -0.52 -0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1u4f s VAL 56 Cb 0.21 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1u4f s VAL 56 CO -0.07 0.34 0.01 -1.58 -3.33 0.00 0.00 175.10 170.47 1u4f s GLN 57 N 0.36 3.01 -0.10 1.54 0.74 0.50 -4.98 119.66 120.72 1u4f s GLN 57 Ca -0.08 -0.40 -0.01 0.00 0.05 0.00 0.00 55.36 54.92 1u4f s GLN 57 Cb -0.13 -2.81 -0.03 0.00 1.10 0.00 0.00 33.01 31.15 1u4f s GLN 57 CO 0.02 0.70 -0.06 -0.06 -0.55 0.00 0.00 175.29 175.34 1u4f s PHE 58 N -0.87 2.95 0.10 1.67 0.40 -1.26 0.29 117.98 121.26 1u4f s PHE 58 Ca 0.13 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.37 1u4f s PHE 58 Cb -0.11 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 1u4f s PHE 58 CO 0.02 0.16 -0.13 0.96 0.70 0.00 0.00 175.22 176.94 1u4f s ILE 59 N -0.33 1.15 -1.43 0.64 -4.36 -0.29 -4.82 121.20 111.76 1u4f s ILE 59 Ca 0.05 -1.60 -0.10 0.00 -0.26 0.00 0.00 60.65 58.74 1u4f s ILE 59 Cb -0.12 -1.37 0.04 0.00 1.25 0.00 0.00 42.46 42.26 1u4f s ILE 59 CO 0.02 -0.42 1.05 0.59 0.24 0.00 0.00 174.94 176.42 1u4f n ASN 60 N 0.71 -5.06 0.00 4.36 5.03 -1.26 -2.22 115.26 116.82 1u4f n ASN 60 Ca -0.17 -0.68 0.09 0.00 0.87 0.00 0.00 54.58 54.70 1u4f n ASN 60 Cb 0.57 -4.43 0.45 0.00 -1.02 0.00 0.00 39.78 35.35 1u4f n ASN 60 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 1u4f n VAL 61 N -4.77 0.55 -4.03 2.41 3.14 -1.26 -3.69 118.33 110.68 1u4f n VAL 61 Ca -0.01 0.14 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1u4f n VAL 61 Cb 0.56 -0.81 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 1u4f n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1u4f n GLY 62 N 0.44 -2.04 3.82 7.55 0.00 -1.26 -4.90 105.19 108.80 1u4f n GLY 62 Ca 0.07 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 1u4f n GLY 62 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u4f s GLU 63 N 0.00 3.16 0.42 1.61 1.03 -1.26 -5.22 118.70 118.45 1u4f s GLU 63 Ca 0.00 -0.48 -0.26 0.00 0.03 0.00 0.00 54.97 54.26 1u4f s GLU 63 Cb 0.00 -2.91 -0.09 0.00 -0.80 0.00 0.00 34.13 30.33 1u4f s GLU 63 CO 0.00 0.64 1.42 1.63 -1.33 0.00 0.00 175.26 177.61 1u4f n LYS 188 N 0.91 2.31 0.00 -4.83 5.02 -1.26 -5.27 118.16 115.04 1u4f n LYS 188 Ca -0.11 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1u4f n LYS 188 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1u4f n LYS 188 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1u4f n THR 192 N -0.02 0.00 -2.68 -0.18 -2.24 -1.26 -5.28 114.28 102.61 1u4f n THR 192 Ca 0.04 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 1u4f n THR 192 Cb 0.40 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 1u4f n THR 192 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1u4f s LEU 193 N 0.00 3.68 -0.03 3.22 1.43 -1.26 -1.29 118.68 124.43 1u4f s LEU 193 Ca 0.00 1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.82 1u4f s LEU 193 Cb 0.00 -3.95 0.07 0.00 0.03 0.00 0.00 46.19 42.34 1u4f s LEU 193 CO 0.00 -0.53 0.70 0.54 0.23 0.00 0.00 176.35 177.29 1u4f s VAL 194 N -2.63 0.00 0.06 -1.59 0.11 -0.99 -4.93 120.40 110.42 1u4f s VAL 194 Ca 0.49 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.62 1u4f s VAL 194 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 1u4f s VAL 194 CO 0.40 0.00 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.63 1u4f s PHE 195 N -1.54 2.55 0.54 1.54 0.40 -1.26 -1.56 117.98 118.65 1u4f s PHE 195 Ca -0.09 -0.26 -0.20 0.00 -0.60 0.00 0.00 56.93 55.78 1u4f s PHE 195 Cb -0.00 -1.43 -0.07 0.00 0.51 0.00 0.00 43.02 42.03 1u4f s PHE 195 CO 0.06 0.28 0.98 -1.13 0.70 0.00 0.00 175.22 176.11 1u4f n SER 196 N 1.39 0.94 -0.27 1.36 3.41 -0.41 -4.87 113.62 115.17 1u4f n SER 196 Ca -0.16 0.88 -0.06 0.00 -0.26 0.00 0.00 58.87 59.27 1u4f n SER 196 Cb 0.52 -1.38 0.05 0.00 -0.26 0.00 0.00 64.21 63.15 1u4f n SER 196 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1u4f h HIS 197 N 0.86 1.18 -1.90 7.33 2.76 -1.92 -3.45 115.15 120.01 1u4f h HIS 197 Ca -0.47 -0.11 -0.57 0.00 -2.20 0.00 0.00 60.37 57.02 1u4f h HIS 197 Cb 1.35 -0.35 -0.09 0.00 1.55 0.00 0.00 27.41 29.88 1u4f h HIS 197 CO 0.39 0.92 -0.58 -0.80 -1.30 0.00 0.00 177.93 176.56 1u4f s ASN 198 N -6.36 4.41 0.29 3.26 0.01 -1.26 -4.99 114.94 110.30 1u4f s ASN 198 Ca -0.12 -0.89 0.11 0.00 -0.71 0.00 0.00 52.86 51.24 1u4f s ASN 198 Cb 0.15 -0.62 -0.05 0.00 0.41 0.00 0.00 41.25 41.14 1u4f s ASN 198 CO 0.84 -0.27 -0.10 0.00 -1.51 0.00 0.00 177.10 176.06 1u4f s ALA 199 N -2.48 2.96 0.22 0.60 0.00 -0.76 -4.64 121.76 117.66 1u4f s ALA 199 Ca 0.36 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.50 1u4f s ALA 199 Cb -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1u4f s ALA 199 CO 0.21 0.23 0.07 0.14 0.00 0.00 0.00 175.76 176.41 1u4f s VAL 200 N -2.46 0.52 -0.16 0.00 -7.23 -0.03 0.87 120.40 111.89 1u4f s VAL 200 Ca 0.31 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1u4f s VAL 200 Cb -0.04 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.50 1u4f s VAL 200 CO 0.17 -0.15 0.12 -0.63 -0.31 0.00 0.00 175.10 174.30 1u4f s ILE 201 N -3.78 -0.15 0.27 -0.62 1.01 -0.71 -0.61 121.20 116.61 1u4f s ILE 201 Ca 0.34 -0.08 -0.00 0.00 0.00 0.00 0.00 60.65 60.91 1u4f s ILE 201 Cb 0.07 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.97 1u4f s ILE 201 CO 0.10 -0.21 0.28 0.00 0.00 0.00 0.00 174.94 175.12 1u4f s ALA 202 N 2.19 1.13 -0.07 9.38 0.00 -0.88 -0.64 121.76 132.86 1u4f s ALA 202 Ca 0.03 -1.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 1u4f s ALA 202 Cb -0.15 1.33 -0.02 0.00 0.00 0.00 0.00 23.12 24.28 1u4f s ALA 202 CO -0.09 -0.68 0.94 -1.64 0.00 0.00 0.00 175.76 174.29 1u4f s MET 203 N -3.71 4.47 -0.06 0.00 -1.94 -1.26 -1.31 119.30 115.48 1u4f s MET 203 Ca 0.36 1.30 -0.02 0.00 -1.71 0.00 0.00 55.69 55.62 1u4f s MET 203 Cb 0.03 -3.50 0.03 0.00 2.01 0.00 0.00 34.83 33.40 1u4f s MET 203 CO 0.18 -0.17 0.04 0.50 -0.01 0.00 0.00 175.02 175.56 1u4f s ARG 204 N 1.48 0.18 -1.47 2.03 3.52 0.93 -4.85 118.95 120.78 1u4f s ARG 204 Ca 0.47 0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 56.20 1u4f s ARG 204 Cb -0.19 -0.78 0.06 0.00 -1.56 0.00 0.00 34.95 32.48 1u4f s ARG 204 CO 0.21 -0.35 1.02 -0.25 -0.81 0.00 0.00 175.30 175.13 1u4f n ASP 205 N 5.24 -4.92 -0.50 -2.12 8.00 -1.26 -1.38 116.55 119.62 1u4f n ASP 205 Ca -0.05 -0.72 -0.06 0.00 0.71 0.00 0.00 54.79 54.67 1u4f n ASP 205 Cb 0.50 -4.20 -0.03 0.00 -0.02 0.00 0.00 41.12 37.37 1u4f n ASP 205 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u4f n GLY 206 N -1.76 0.88 2.97 0.44 0.00 -1.26 -5.02 105.19 101.44 1u4f n GLY 206 Ca 0.01 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1u4f n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u4f s LYS 207 N -2.43 0.34 0.13 1.61 1.02 -0.48 -5.13 119.74 114.81 1u4f s LYS 207 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 55.97 55.31 1u4f s LYS 207 Cb 0.00 -0.19 -0.07 0.00 -0.52 0.00 0.00 37.83 37.05 1u4f s LYS 207 CO 0.00 0.04 1.06 -1.17 -0.92 0.00 0.00 175.35 174.36 1u4f s LEU 208 N -0.75 4.47 0.03 3.17 2.96 -1.26 -0.05 118.68 127.26 1u4f s LEU 208 Ca -0.05 1.96 0.01 0.00 -0.22 0.00 0.00 54.13 55.83 1u4f s LEU 208 Cb -0.05 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1u4f s LEU 208 CO -0.00 -0.20 -0.05 0.00 -1.32 0.00 0.00 176.35 174.78 1u4f s LEU 210 N -1.59 3.75 0.10 0.00 2.96 -0.57 -2.08 118.68 121.26 1u4f s LEU 210 Ca -0.12 0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1u4f s LEU 210 Cb -0.09 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1u4f s LEU 210 CO -0.01 0.10 -0.10 -0.04 -1.32 0.00 0.00 176.35 174.98 1u4f s MET 211 N 0.82 0.87 0.11 1.98 -1.94 0.21 -0.77 119.30 120.58 1u4f s MET 211 Ca 0.04 -1.21 -0.13 0.00 -1.71 0.00 0.00 55.69 52.68 1u4f s MET 211 Cb -0.13 -0.52 0.02 0.00 2.01 0.00 0.00 34.83 36.21 1u4f s MET 211 CO 0.02 0.07 0.31 1.67 -0.01 0.00 0.00 175.02 177.08 1u4f s TRP 212 N -2.65 -0.05 -0.02 -0.03 -2.14 -0.95 -0.86 118.94 112.24 1u4f s TRP 212 Ca 0.07 -0.32 -0.00 0.00 2.66 0.00 0.00 56.10 58.51 1u4f s TRP 212 Cb -0.01 0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.44 1u4f s TRP 212 CO -0.00 -0.63 0.05 0.50 -2.66 0.00 0.00 176.95 174.21 1u4f s ARG 213 N -3.82 2.99 -0.01 3.25 3.52 -1.26 0.11 118.95 123.73 1u4f s ARG 213 Ca 0.04 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 1u4f s ARG 213 Cb 0.03 -2.81 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 1u4f s ARG 213 CO -0.12 0.66 -0.07 0.54 -0.81 0.00 0.00 175.30 175.50 1u4f s VAL 214 N -1.11 0.53 0.18 7.11 0.11 -0.25 -1.29 120.40 125.69 1u4f s VAL 214 Ca 0.20 -0.29 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 1u4f s VAL 214 Cb -0.12 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1u4f s VAL 214 CO 0.10 0.15 0.24 -0.83 -3.33 0.00 0.00 175.10 171.43 1u4f s GLY 215 N -0.16 0.79 -0.33 6.54 0.00 -0.60 -0.62 107.32 112.95 1u4f s GLY 215 Ca 0.03 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.60 1u4f s GLY 215 CO -0.00 -1.03 0.06 0.21 0.00 0.00 0.00 173.10 172.34 1u4f s ASN 216 N -3.03 4.49 0.00 1.64 3.04 -1.26 -2.35 114.94 117.46 1u4f s ASN 216 Ca 0.24 -1.95 0.25 0.00 0.04 0.00 0.00 52.86 51.44 1u4f s ASN 216 Cb 0.04 -1.35 1.29 0.00 -1.54 0.00 0.00 41.25 39.69 1u4f s ASN 216 CO 0.04 -0.39 1.83 0.18 -3.04 0.00 0.00 177.10 175.73 1u4f n LEU 217 N 4.47 0.00 0.00 3.21 4.77 -0.41 -4.79 117.00 124.24 1u4f n LEU 217 Ca 0.01 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 1u4f n LEU 217 Cb 0.42 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1u4f n LEU 217 CO 0.18 -0.05 0.27 -1.14 -1.33 0.00 0.00 177.39 175.33 1u4f n ARG 218 N -1.25 -0.90 -0.09 3.23 0.63 -1.25 -4.55 116.66 112.49 1u4f n ARG 218 Ca 0.13 -0.68 -0.12 0.00 -0.92 0.00 0.00 57.85 56.26 1u4f n ARG 218 Cb 0.18 -0.51 -0.09 0.00 0.45 0.00 0.00 32.46 32.49 1u4f n ARG 218 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1u4f n LYS 219 N -2.21 0.71 -2.24 -0.14 5.02 -1.26 -4.99 118.16 113.04 1u4f n LYS 219 Ca 0.06 0.08 -0.33 0.00 -2.02 0.00 0.00 58.31 56.11 1u4f n LYS 219 Cb 0.20 -1.38 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1u4f n LYS 219 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1u4f s SER 220 N -5.61 6.19 0.64 4.39 1.04 -1.26 -5.04 113.70 114.06 1u4f s SER 220 Ca -0.22 1.72 -0.13 0.00 0.48 0.00 0.00 55.95 57.80 1u4f s SER 220 Cb 0.06 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.64 1u4f s SER 220 CO 0.47 -0.88 1.05 -1.00 0.98 0.00 0.00 173.24 173.86 1u4f s HIS 221 N -2.49 3.09 -0.26 5.02 3.76 -1.26 -4.77 115.29 118.38 1u4f s HIS 221 Ca 0.62 1.46 -0.10 0.00 -0.15 0.00 0.00 55.06 56.88 1u4f s HIS 221 Cb -0.13 -2.92 -0.05 0.00 1.11 0.00 0.00 32.58 30.58 1u4f s HIS 221 CO 0.33 -1.13 0.16 -1.17 -0.85 0.00 0.00 174.74 172.08 1u4f s LEU 222 N -5.04 4.00 -0.13 0.89 2.96 -1.26 -1.58 118.68 118.51 1u4f s LEU 222 Ca 0.60 0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 54.40 1u4f s LEU 222 Cb -0.15 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1u4f s LEU 222 CO 0.46 0.01 0.33 -0.69 -1.32 0.00 0.00 176.35 175.14 1u4f s VAL 223 N 1.38 5.26 -1.40 1.68 1.01 0.11 -4.27 120.40 124.17 1u4f s VAL 223 Ca 0.07 0.63 -0.09 0.00 0.00 0.00 0.00 61.98 62.59 1u4f s VAL 223 Cb -0.15 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1u4f s VAL 223 CO 0.07 0.41 1.05 -0.62 0.00 0.00 0.00 175.10 176.02 1u4f n GLU 224 N 3.30 -6.68 -2.53 2.72 1.02 -1.26 -1.71 120.64 115.50 1u4f n GLU 224 Ca -0.12 0.73 -0.38 0.00 -0.02 0.00 0.00 57.16 57.37 1u4f n GLU 224 Cb 0.52 -5.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.22 1u4f n GLU 224 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u4f s ALA 225 N -3.35 3.23 0.07 0.62 0.00 -1.26 -4.51 121.76 116.56 1u4f s ALA 225 Ca 0.51 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 1u4f s ALA 225 Cb -0.24 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.64 1u4f s ALA 225 CO 0.77 -0.17 0.53 -3.38 0.00 0.00 0.00 175.76 173.51 1u4f s HIS 226 N -1.43 -0.43 0.18 0.00 -3.43 -0.43 -1.60 115.29 108.16 1u4f s HIS 226 Ca 0.51 0.43 0.11 0.00 -0.80 0.00 0.00 55.06 55.31 1u4f s HIS 226 Cb -0.26 0.37 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 1u4f s HIS 226 CO 0.33 -0.68 -0.24 0.14 -2.00 0.00 0.00 174.74 172.30 1u4f s VAL 227 N -2.70 2.40 0.14 -5.38 -7.23 -0.32 -1.25 120.40 106.06 1u4f s VAL 227 Ca -0.04 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.15 1u4f s VAL 227 Cb -0.00 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 1u4f s VAL 227 CO -0.04 -0.08 0.09 -0.13 -0.31 0.00 0.00 175.10 174.63 1u4f s ARG 228 N -2.58 0.98 -0.06 4.82 0.52 -0.52 -4.88 118.95 117.24 1u4f s ARG 228 Ca 0.20 -1.44 -0.25 0.00 -0.52 0.00 0.00 55.73 53.71 1u4f s ARG 228 Cb -0.08 0.26 0.06 0.00 0.52 0.00 0.00 34.95 35.70 1u4f s ARG 228 CO 0.10 -0.29 0.57 0.00 0.02 0.00 0.00 175.30 175.69 1u4f s ALA 229 N -4.06 -1.47 -0.03 2.13 0.00 -1.26 -1.29 121.76 115.78 1u4f s ALA 229 Ca 0.25 1.08 -0.05 0.00 0.00 0.00 0.00 51.96 53.25 1u4f s ALA 229 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.12 1u4f s ALA 229 CO 0.03 -0.33 0.13 -0.65 0.00 0.00 0.00 175.76 174.94 1u4f s GLN 230 N -1.07 0.24 -0.32 0.00 -0.21 0.48 -1.52 119.66 117.27 1u4f s GLN 230 Ca -0.11 0.00 -0.18 0.00 0.02 0.00 0.00 55.36 55.10 1u4f s GLN 230 Cb -0.02 0.11 -0.01 0.00 1.00 0.00 0.00 33.01 34.09 1u4f s GLN 230 CO 0.07 -0.04 0.51 -1.17 -2.12 0.00 0.00 175.29 172.54 1u4f s LEU 231 N -0.36 4.24 -0.22 2.90 2.96 0.24 0.21 118.68 128.65 1u4f s LEU 231 Ca -0.04 0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 1u4f s LEU 231 Cb -0.03 -2.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 1u4f s LEU 231 CO 0.00 -0.41 0.24 -0.76 -1.32 0.00 0.00 176.35 174.11 1u4f s LEU 232 N 2.36 4.14 -0.22 -0.68 1.43 0.35 -1.30 118.68 124.75 1u4f s LEU 232 Ca 0.19 0.26 -0.27 0.00 -1.03 0.00 0.00 54.13 53.28 1u4f s LEU 232 Cb -0.15 -2.25 0.11 0.00 0.03 0.00 0.00 46.19 43.93 1u4f s LEU 232 CO 0.12 0.02 0.95 -0.75 0.23 0.00 0.00 176.35 176.93 1u4f s LYS 233 N 1.10 0.62 0.40 1.70 2.20 -0.78 -1.64 119.74 123.35 1u4f s LYS 233 Ca 0.12 0.47 -0.22 0.00 -0.36 0.00 0.00 55.97 55.98 1u4f s LYS 233 Cb -0.14 0.30 -0.11 0.00 -1.51 0.00 0.00 37.83 36.38 1u4f s LYS 233 CO 0.05 -0.13 0.94 -1.54 -0.36 0.00 0.00 175.35 174.31 1u4f s SER 234 N -0.29 7.03 0.26 1.43 1.04 -1.24 -0.47 113.70 121.45 1u4f s SER 234 Ca -0.00 1.71 -0.20 0.00 0.48 0.00 0.00 55.95 57.94 1u4f s SER 234 Cb -0.03 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.57 1u4f s SER 234 CO -0.01 -0.29 0.66 0.00 0.98 0.00 0.00 173.24 174.58 1u4f s ARG 235 N -2.91 1.69 -0.17 4.02 1.70 -0.98 -4.89 118.95 117.42 1u4f s ARG 235 Ca 0.59 -0.99 -0.01 0.00 -0.47 0.00 0.00 55.73 54.85 1u4f s ARG 235 Cb -0.11 0.58 -0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1u4f s ARG 235 CO 0.16 -0.76 -0.12 0.42 -1.08 0.00 0.00 175.30 173.92 1u4f s ILE 236 N -3.92 2.92 0.95 4.99 1.09 -1.26 -1.10 121.20 124.87 1u4f s ILE 236 Ca 0.12 -0.68 -0.12 0.00 -1.10 0.00 0.00 60.65 58.87 1u4f s ILE 236 Cb -0.04 -2.26 0.16 0.00 -1.06 0.00 0.00 42.46 39.26 1u4f s ILE 236 CO 0.05 0.50 1.09 -0.89 -0.10 0.00 0.00 174.94 175.59 1u4f s THR 237 N 0.87 2.43 -0.49 2.92 2.01 0.38 -4.86 115.64 118.90 1u4f s THR 237 Ca -0.03 0.14 0.19 0.00 0.31 0.00 0.00 61.69 62.30 1u4f s THR 237 Cb -0.15 -2.55 0.19 0.00 0.01 0.00 0.00 72.50 70.00 1u4f s THR 237 CO -0.00 -0.18 1.58 -1.54 -0.69 0.00 0.00 174.62 173.78 1u4f n SER 238 N -4.08 0.47 -0.89 3.53 3.41 -1.26 -1.00 113.62 113.80 1u4f n SER 238 Ca 0.06 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.44 1u4f n SER 238 Cb 0.55 -0.75 0.27 0.00 -0.26 0.00 0.00 64.21 64.02 1u4f n SER 238 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u4f n GLU 239 N -2.08 2.14 -0.75 4.33 4.71 -1.26 -4.92 120.64 122.81 1u4f n GLU 239 Ca 0.01 -1.74 0.00 0.00 -0.01 0.00 0.00 57.16 55.41 1u4f n GLU 239 Cb 0.12 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.12 1u4f n GLU 239 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1u4f n GLY 240 N 1.31 0.67 3.71 0.62 0.00 -0.17 -5.03 105.19 106.30 1u4f n GLY 240 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1u4f n GLY 240 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u4f s GLU 241 N -0.25 4.53 -0.11 1.61 2.12 -1.25 -4.76 118.70 120.59 1u4f s GLU 241 Ca 0.00 1.44 -0.17 0.00 0.36 0.00 0.00 54.97 56.60 1u4f s GLU 241 Cb 0.00 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.88 1u4f s GLU 241 CO 0.00 -0.10 0.43 -0.47 -0.54 0.00 0.00 175.26 174.58 1u4f s TYR 242 N 1.15 3.54 -0.24 5.30 5.04 -1.26 -0.47 117.35 130.40 1u4f s TYR 242 Ca 0.52 0.85 0.02 0.00 -2.44 0.00 0.00 57.07 56.02 1u4f s TYR 242 Cb -0.21 -2.46 0.05 0.00 0.35 0.00 0.00 41.96 39.69 1u4f s TYR 242 CO 0.27 0.26 -0.12 0.42 -1.34 0.00 0.00 175.55 175.04 1u4f s ILE 243 N 0.30 2.06 0.26 3.14 1.01 -0.26 -5.00 121.20 122.71 1u4f s ILE 243 Ca 0.24 -1.45 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 1u4f s ILE 243 Cb -0.15 -2.13 0.35 0.00 0.01 0.00 0.00 42.46 40.54 1u4f s ILE 243 CO 0.09 0.06 1.60 -0.65 0.00 0.00 0.00 174.94 176.04 1u4f h PRO 244 N 7.83 0.03 -1.50 2.79 0.11 -1.92 -2.61 132.00 136.72 1u4f h PRO 244 Ca -0.23 -0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.57 1u4f h PRO 244 Cb 1.06 -0.01 -0.24 0.00 0.11 0.00 0.00 31.00 31.92 1u4f h PRO 244 CO 0.48 0.02 -0.66 -0.51 -0.21 0.00 0.00 178.00 177.13 1u4f s LEU 245 N -10.99 -0.45 0.33 2.35 1.43 -1.26 -3.71 118.68 106.38 1u4f s LEU 245 Ca -0.14 -2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 50.57 1u4f s LEU 245 Cb 0.25 1.06 -0.10 0.00 0.03 0.00 0.00 46.19 47.43 1u4f s LEU 245 CO 0.76 -0.11 1.33 -0.62 0.23 0.00 0.00 176.35 177.95 1u4f s ASP 246 N 0.70 6.73 -0.29 2.29 2.15 0.38 -4.68 116.67 123.94 1u4f s ASP 246 Ca 0.29 2.71 -0.10 0.00 0.43 0.00 0.00 52.55 55.89 1u4f s ASP 246 Cb -0.00 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 1u4f s ASP 246 CO -0.10 -0.58 0.16 -1.10 -0.17 0.00 0.00 175.17 173.39 1u4f s GLN 247 N -1.66 3.66 -0.20 4.34 -0.21 -1.26 -1.86 119.66 122.47 1u4f s GLN 247 Ca 0.50 -0.50 -0.02 0.00 0.02 0.00 0.00 55.36 55.36 1u4f s GLN 247 Cb -0.40 -3.58 0.00 0.00 1.00 0.00 0.00 33.01 30.02 1u4f s GLN 247 CO 0.53 -0.28 -0.11 0.42 -2.12 0.00 0.00 175.29 173.73 1u4f s ILE 248 N 1.68 2.89 0.37 1.08 1.01 -0.42 -4.94 121.20 122.88 1u4f s ILE 248 Ca 0.06 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 1u4f s ILE 248 Cb -0.16 -2.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.93 1u4f s ILE 248 CO 0.08 0.47 1.32 -0.62 0.00 0.00 0.00 174.94 176.20 1u4f s ASP 249 N 1.30 6.52 -0.29 3.58 2.15 -1.26 0.82 116.67 129.49 1u4f s ASP 249 Ca 0.04 2.71 -0.01 0.00 0.43 0.00 0.00 52.55 55.72 1u4f s ASP 249 Cb -0.14 -2.65 0.05 0.00 -0.30 0.00 0.00 42.92 39.89 1u4f s ASP 249 CO -0.06 -0.71 -0.03 -0.63 -0.17 0.00 0.00 175.17 173.58 1u4f s ILE 250 N -1.19 2.80 -0.11 4.11 1.01 -0.57 -4.80 121.20 122.43 1u4f s ILE 250 Ca 0.53 -1.44 -0.31 0.00 0.00 0.00 0.00 60.65 59.43 1u4f s ILE 250 Cb -0.40 -2.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.38 1u4f s ILE 250 CO 0.52 -0.08 2.07 -3.20 0.00 0.00 0.00 174.94 174.25 1u4f n ASN 251 N 4.58 3.52 -0.46 3.58 2.85 -1.26 -4.18 115.26 123.89 1u4f n ASN 251 Ca -0.13 0.62 0.08 0.00 -0.11 0.00 0.00 54.58 55.04 1u4f n ASN 251 Cb 0.43 -1.48 0.19 0.00 1.24 0.00 0.00 39.78 40.16 1u4f n ASN 251 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1u4f n VAL 252 N 6.42 2.09 0.00 3.44 0.24 -1.26 -4.33 118.33 124.93 1u4f n VAL 252 Ca 0.26 -2.22 0.00 0.00 -2.04 0.00 0.00 64.34 60.34 1u4f n VAL 252 Cb 0.38 -0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.50 1u4f n VAL 252 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u4f n GLY 253 N -1.07 0.91 0.33 7.63 0.00 -1.26 -3.97 105.19 107.76 1u4f n GLY 253 Ca 0.19 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.39 1u4f n GLY 253 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u4f h PHE 254 N 0.00 0.77 0.00 1.61 3.57 -1.92 -1.76 116.94 119.21 1u4f h PHE 254 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1u4f h PHE 254 Cb 0.00 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1u4f h PHE 254 CO 0.00 -0.10 -0.03 -0.44 -2.23 0.00 0.00 178.31 175.51 1u4f h ASP 255 N 0.37 0.00 0.00 0.41 3.32 -2.00 -2.43 116.42 116.09 1u4f h ASP 255 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 1u4f h ASP 255 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1u4f h ASP 255 CO -0.57 0.03 -0.00 -1.54 -1.72 0.00 0.00 179.24 175.44 1u4f n SER 256 N -3.75 2.05 0.00 6.45 3.41 -0.74 -4.97 113.62 116.06 1u4f n SER 256 Ca -0.03 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1u4f n SER 256 Cb 0.12 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1u4f n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u4f n GLY 257 N -0.64 0.63 0.40 5.00 0.00 -0.77 -4.88 105.19 104.93 1u4f n GLY 257 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1u4f n GLY 257 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1u4f n ILE 258 N -2.38 0.24 0.75 -0.61 -5.35 -0.77 -2.38 119.36 108.86 1u4f n ILE 258 Ca 0.00 -0.16 0.13 0.00 -0.27 0.00 0.00 62.75 62.45 1u4f n ILE 258 Cb 0.04 -0.16 0.36 0.00 -1.74 0.00 0.00 39.64 38.14 1u4f n ILE 258 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1u4f n ASP 259 N -0.08 0.56 -4.72 7.28 5.75 -1.22 -4.70 116.55 119.42 1u4f n ASP 259 Ca 0.04 0.31 -0.39 0.00 -0.01 0.00 0.00 54.79 54.74 1u4f n ASP 259 Cb 0.21 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 1u4f n ASP 259 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1u4f s ARG 260 N -3.08 4.41 0.25 0.11 0.52 -1.00 -1.17 118.95 118.98 1u4f s ARG 260 Ca 0.10 0.77 0.09 0.00 -0.52 0.00 0.00 55.73 56.18 1u4f s ARG 260 Cb 0.15 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 1u4f s ARG 260 CO 0.63 0.08 -0.16 0.96 0.02 0.00 0.00 175.30 176.84 1u4f s ILE 261 N 0.77 2.05 -0.43 1.52 -4.36 -0.63 -4.98 121.20 115.14 1u4f s ILE 261 Ca 0.35 -2.29 -0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1u4f s ILE 261 Cb -0.17 -2.20 0.12 0.00 1.25 0.00 0.00 42.46 41.46 1u4f s ILE 261 CO 0.16 -0.48 0.23 0.12 0.24 0.00 0.00 174.94 175.21 1u4f s PHE 262 N -2.78 3.57 -0.42 1.37 5.36 -1.26 -4.32 117.98 119.51 1u4f s PHE 262 Ca 0.26 -2.45 -0.21 0.00 -0.96 0.00 0.00 56.93 53.57 1u4f s PHE 262 Cb -0.02 -3.23 0.02 0.00 -0.34 0.00 0.00 43.02 39.45 1u4f s PHE 262 CO 0.11 -0.96 0.69 -1.17 -1.46 0.00 0.00 175.22 172.43 1u4f s LEU 263 N 1.02 4.34 0.01 6.12 0.20 -1.26 -4.84 118.68 124.26 1u4f s LEU 263 Ca 0.09 -0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.81 1u4f s LEU 263 Cb -0.23 -2.83 0.00 0.00 -0.43 0.00 0.00 46.19 42.70 1u4f s LEU 263 CO -0.04 -0.77 0.00 0.52 -0.29 0.00 0.00 176.35 175.77 1u4f n VAL 264 N 5.86 0.06 -3.97 1.68 0.31 -1.26 -4.51 118.33 116.50 1u4f n VAL 264 Ca -0.00 0.02 -0.28 0.00 -0.01 0.00 0.00 64.34 64.07 1u4f n VAL 264 Cb 0.48 -0.67 -0.04 0.00 -0.91 0.00 0.00 33.84 32.71 1u4f n VAL 264 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u4f s SER 265 N -4.70 6.11 0.00 4.52 1.04 -1.26 -4.58 113.70 114.84 1u4f s SER 265 Ca 0.00 0.12 -0.37 0.00 0.48 0.00 0.00 55.95 56.18 1u4f s SER 265 Cb 0.00 -1.79 -0.19 0.00 0.10 0.00 0.00 66.02 64.14 1u4f s SER 265 CO 0.00 0.10 0.99 -2.65 0.98 0.00 0.00 173.24 172.66 1u4f n PRO 266 N -0.19 0.00 -4.82 4.02 -0.02 -1.26 -4.92 135.00 127.80 1u4f n PRO 266 Ca -0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.08 1u4f n PRO 266 Cb 0.53 -1.39 -0.13 0.00 -0.02 0.00 0.00 33.50 32.49 1u4f n PRO 266 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1u4f s ILE 267 N -0.00 3.21 -0.43 4.25 -1.09 0.21 -4.94 121.20 122.41 1u4f s ILE 267 Ca 0.85 -0.66 -0.18 0.00 -2.23 0.00 0.00 60.65 58.42 1u4f s ILE 267 Cb -1.18 -2.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1u4f s ILE 267 CO 0.53 0.59 0.47 -0.89 -1.23 0.00 0.00 174.94 174.41 1u4f s THR 268 N -0.70 5.05 0.11 2.92 2.01 -1.26 -1.09 115.64 122.68 1u4f s THR 268 Ca 0.11 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1u4f s THR 268 Cb -0.11 -4.08 -0.06 0.00 0.01 0.00 0.00 72.50 68.26 1u4f s THR 268 CO 0.01 -0.47 1.10 -0.63 -0.69 0.00 0.00 174.62 173.95 1u4f s ILE 269 N 2.24 4.09 -0.13 1.82 1.01 0.12 -4.91 121.20 125.45 1u4f s ILE 269 Ca 0.13 1.66 0.01 0.00 0.00 0.00 0.00 60.65 62.45 1u4f s ILE 269 Cb -0.17 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 1u4f s ILE 269 CO 0.14 0.21 -0.17 -0.69 0.00 0.00 0.00 174.94 174.44 1u4f s VAL 270 N 0.34 2.66 -0.29 2.92 1.01 -1.26 -2.23 120.40 123.54 1u4f s VAL 270 Ca 0.52 -0.80 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1u4f s VAL 270 Cb -0.28 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.05 1u4f s VAL 270 CO 0.32 0.53 -0.00 -2.28 0.00 0.00 0.00 175.10 173.67 1u4f s HIS 271 N 0.46 3.20 -0.22 5.22 5.04 0.05 -4.66 115.29 124.38 1u4f s HIS 271 Ca -0.12 -1.70 -0.29 0.00 -1.54 0.00 0.00 55.06 51.41 1u4f s HIS 271 Cb -0.16 -2.11 -0.01 0.00 0.04 0.00 0.00 32.58 30.33 1u4f s HIS 271 CO 0.05 -0.77 1.38 -2.00 -2.34 0.00 0.00 174.74 171.07 1u4f s GLU 272 N 1.30 4.01 -1.28 2.88 2.12 -1.26 -1.50 118.70 124.97 1u4f s GLU 272 Ca -0.03 1.54 -0.17 0.00 0.36 0.00 0.00 54.97 56.67 1u4f s GLU 272 Cb -0.19 -3.88 0.10 0.00 0.26 0.00 0.00 34.13 30.42 1u4f s GLU 272 CO -0.01 -1.00 1.66 -0.89 -0.54 0.00 0.00 175.26 174.48 1u4f n ILE 273 N 5.92 4.03 -3.11 -3.70 5.41 -0.72 -4.81 119.36 122.39 1u4f n ILE 273 Ca 0.15 -4.27 -0.11 0.00 1.00 0.00 0.00 62.75 59.52 1u4f n ILE 273 Cb 0.45 -2.39 0.03 0.00 -0.71 0.00 0.00 39.64 37.03 1u4f n ILE 273 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1u4f n ASP 274 N 7.54 1.26 0.05 4.38 5.68 -1.26 -4.74 116.55 129.45 1u4f n ASP 274 Ca 0.46 -1.87 0.02 0.00 -0.50 0.00 0.00 54.79 52.90 1u4f n ASP 274 Cb 0.45 -0.21 0.10 0.00 -1.14 0.00 0.00 41.12 40.33 1u4f n ASP 274 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1u4f n GLU 275 N -1.63 0.03 0.00 0.11 0.28 -1.26 -0.38 120.64 117.78 1u4f n GLU 275 Ca 0.08 0.37 0.08 0.00 -0.16 0.00 0.00 57.16 57.53 1u4f n GLU 275 Cb 0.33 -1.82 -0.03 0.00 1.43 0.00 0.00 31.44 31.35 1u4f n GLU 275 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1u4f n ASP 276 N -1.52 1.38 -4.74 -1.84 8.00 -1.26 -4.97 116.55 111.60 1u4f n ASP 276 Ca -0.00 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.90 1u4f n ASP 276 Cb 0.25 0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 41.92 1u4f n ASP 276 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1u4f s SER 277 N -2.04 7.39 0.00 -2.24 0.15 0.48 -4.89 113.70 112.55 1u4f s SER 277 Ca 0.11 2.00 0.11 0.00 0.70 0.00 0.00 55.95 58.87 1u4f s SER 277 Cb 0.13 -2.60 0.65 0.00 -1.71 0.00 0.00 66.02 62.49 1u4f s SER 277 CO 0.46 -0.11 1.08 -0.81 1.20 0.00 0.00 173.24 175.06 1u4f n PRO 278 N 2.25 0.44 -0.02 5.44 -0.04 -1.26 -0.70 135.00 141.11 1u4f n PRO 278 Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 1u4f n PRO 278 Cb 0.47 -1.39 0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1u4f n PRO 278 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u4f n LEU 279 N -0.89 1.93 -0.28 1.53 4.77 -1.26 -4.75 117.00 118.06 1u4f n LEU 279 Ca 0.08 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1u4f n LEU 279 Cb 0.04 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1u4f n LEU 279 CO 0.06 0.40 0.67 0.22 -1.33 0.00 0.00 177.39 177.41 1u4f h TYR 280 N 1.85 -0.61 -0.61 -1.77 3.20 -1.14 -1.05 116.97 116.84 1u4f h TYR 280 Ca 0.00 0.08 -0.19 0.00 3.14 0.00 0.00 58.73 61.76 1u4f h TYR 280 Cb 0.44 0.39 -0.11 0.00 1.54 0.00 0.00 36.73 38.98 1u4f h TYR 280 CO 0.03 -0.36 0.24 -3.47 -1.64 0.00 0.00 178.16 172.96 1u4f n ASP 281 N -5.50 4.22 -4.60 -2.11 -0.08 -1.26 -2.27 116.55 104.95 1u4f n ASP 281 Ca 0.10 -2.98 -0.38 0.00 -1.51 0.00 0.00 54.79 50.01 1u4f n ASP 281 Cb 0.40 -0.70 -0.10 0.00 2.34 0.00 0.00 41.12 43.06 1u4f n ASP 281 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1u4f s LEU 282 N -2.38 4.04 0.64 -2.67 1.43 -0.40 -4.87 118.68 114.47 1u4f s LEU 282 Ca 0.44 0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1u4f s LEU 282 Cb 0.35 -2.30 0.09 0.00 0.03 0.00 0.00 46.19 44.37 1u4f s LEU 282 CO 0.11 -0.11 0.89 -0.94 0.23 0.00 0.00 176.35 176.52 1u4f s SER 283 N 1.63 4.75 0.26 2.29 1.04 -1.26 -4.19 113.70 118.22 1u4f s SER 283 Ca 0.12 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.11 1u4f s SER 283 Cb -0.16 -0.14 0.34 0.00 0.10 0.00 0.00 66.02 66.15 1u4f s SER 283 CO 0.10 -1.56 1.81 0.50 0.98 0.00 0.00 173.24 175.07 1u4f h LYS 284 N -0.20 0.92 -0.50 4.02 3.64 -1.60 -2.49 116.57 120.37 1u4f h LYS 284 Ca -0.36 -0.18 -0.09 0.00 -1.27 0.00 0.00 60.65 58.74 1u4f h LYS 284 Cb 1.28 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1u4f h LYS 284 CO 0.43 0.81 -0.07 0.37 -2.27 0.00 0.00 179.45 178.72 1u4f h GLN 285 N 0.89 0.89 0.00 1.90 4.15 -1.95 -2.63 115.11 118.36 1u4f h GLN 285 Ca 0.20 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 1u4f h GLN 285 Cb 0.28 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1u4f h GLN 285 CO -0.01 0.93 -0.21 -0.44 -1.93 0.00 0.00 178.83 177.17 1u4f h ASP 286 N 0.81 0.00 0.08 -0.69 3.32 -1.84 -3.02 116.42 115.08 1u4f h ASP 286 Ca 0.14 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1u4f h ASP 286 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1u4f h ASP 286 CO 0.04 0.21 -0.04 0.40 -1.72 0.00 0.00 179.24 178.12 1u4f h ILE 287 N 0.00 1.18 0.00 0.35 1.08 -1.14 0.27 117.51 119.25 1u4f h ILE 287 Ca -0.00 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1u4f h ILE 287 Cb 0.37 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1u4f h ILE 287 CO 0.03 0.30 0.04 0.47 -0.69 0.00 0.00 178.15 178.29 1u4f n ASP 288 N -4.86 0.00 0.00 1.72 8.00 -1.02 -2.11 116.55 118.28 1u4f n ASP 288 Ca -0.08 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1u4f n ASP 288 Cb 0.29 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1u4f n ASP 288 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1u4f n ASN 289 N -1.45 4.89 -4.27 -2.24 3.02 -1.17 -5.02 115.26 109.01 1u4f n ASN 289 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1u4f n ASN 289 Cb 0.04 0.74 0.27 0.00 -0.61 0.00 0.00 39.78 40.21 1u4f n ASN 289 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u4f s ALA 290 N -1.97 -0.66 -0.35 5.41 0.00 0.94 -5.04 121.76 120.09 1u4f s ALA 290 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1u4f s ALA 290 Cb 0.00 -3.18 0.15 0.00 0.00 0.00 0.00 23.12 20.10 1u4f s ALA 290 CO 0.00 -4.08 0.36 0.34 0.00 0.00 0.00 175.76 172.38 1u4f s ASP 291 N -2.63 1.24 0.22 0.00 3.68 -1.26 -4.85 116.67 113.07 1u4f s ASP 291 Ca 0.69 -1.41 -0.13 0.00 2.13 0.00 0.00 52.55 53.83 1u4f s ASP 291 Cb -0.23 0.56 0.00 0.00 -1.45 0.00 0.00 42.92 41.81 1u4f s ASP 291 CO 0.64 -0.28 0.46 0.72 0.13 0.00 0.00 175.17 176.83 1u4f s PHE 292 N 1.62 0.27 -0.03 -5.34 -0.12 -1.26 -4.94 117.98 108.18 1u4f s PHE 292 Ca 0.15 -0.63 0.05 0.00 -0.05 0.00 0.00 56.93 56.46 1u4f s PHE 292 Cb -0.15 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 1u4f s PHE 292 CO -0.09 -0.94 -0.19 -2.00 -0.05 0.00 0.00 175.22 171.94 1u4f s GLU 293 N -3.98 1.80 -0.30 1.99 2.12 -0.65 -2.34 118.70 117.33 1u4f s GLU 293 Ca 0.19 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.76 1u4f s GLU 293 Cb -0.00 -1.63 0.02 0.00 0.26 0.00 0.00 34.13 32.78 1u4f s GLU 293 CO 0.05 0.35 0.07 0.42 -0.54 0.00 0.00 175.26 175.61 1u4f s ILE 294 N -0.23 3.76 -0.11 -3.70 -1.09 0.41 0.13 121.20 120.36 1u4f s ILE 294 Ca 0.02 -0.88 -0.17 0.00 -2.23 0.00 0.00 60.65 57.39 1u4f s ILE 294 Cb -0.10 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1u4f s ILE 294 CO 0.01 0.01 0.44 -0.69 -1.23 0.00 0.00 174.94 173.48 1u4f s VAL 295 N 1.44 5.19 -0.06 2.92 1.01 0.13 -0.35 120.40 130.68 1u4f s VAL 295 Ca 0.01 0.87 0.05 0.00 0.00 0.00 0.00 61.98 62.91 1u4f s VAL 295 Cb -0.18 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1u4f s VAL 295 CO 0.02 0.37 -0.23 0.68 0.00 0.00 0.00 175.10 175.93 1u4f s VAL 296 N 0.40 2.21 0.05 2.92 -7.23 -0.68 -0.39 120.40 117.68 1u4f s VAL 296 Ca 0.24 -1.01 0.07 0.00 -1.81 0.00 0.00 61.98 59.48 1u4f s VAL 296 Cb -0.15 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1u4f s VAL 296 CO 0.10 0.57 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.61 1u4f s ILE 297 N -0.16 1.69 -0.06 -0.62 -1.09 -0.42 -1.81 121.20 118.73 1u4f s ILE 297 Ca -0.03 -1.23 -0.02 0.00 -2.23 0.00 0.00 60.65 57.14 1u4f s ILE 297 Cb -0.14 -1.47 0.03 0.00 -1.58 0.00 0.00 42.46 39.30 1u4f s ILE 297 CO 0.04 0.20 0.04 -0.22 -1.23 0.00 0.00 174.94 173.77 1u4f s LEU 298 N -1.22 0.33 0.19 2.97 2.96 -0.41 -1.44 118.68 122.06 1u4f s LEU 298 Ca 0.08 -0.03 0.11 0.00 -0.22 0.00 0.00 54.13 54.06 1u4f s LEU 298 Cb -0.09 -0.26 -0.04 0.00 0.50 0.00 0.00 46.19 46.30 1u4f s LEU 298 CO 0.02 -0.24 -0.23 -1.61 -1.32 0.00 0.00 176.35 172.97 1u4f s GLU 299 N 2.09 1.48 0.00 1.98 2.02 -0.38 -0.66 118.70 125.23 1u4f s GLU 299 Ca 0.05 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1u4f s GLU 299 Cb -0.12 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.33 1u4f s GLU 299 CO -0.04 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.03 1u4f n GLY 300 N 0.27 -1.97 3.17 -1.39 0.00 -0.78 -1.31 105.19 103.17 1u4f n GLY 300 Ca -0.13 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 1u4f n GLY 300 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u4f s MET 301 N -1.78 2.87 0.33 1.61 -1.94 -0.69 0.58 119.30 120.28 1u4f s MET 301 Ca 0.00 -0.81 -0.29 0.00 -1.71 0.00 0.00 55.69 52.89 1u4f s MET 301 Cb 0.00 -2.28 -0.10 0.00 2.01 0.00 0.00 34.83 34.46 1u4f s MET 301 CO 0.00 0.05 1.25 0.08 -0.01 0.00 0.00 175.02 176.39 1u4f s VAL 302 N 0.67 2.90 0.34 -6.03 1.01 -1.26 0.06 120.40 118.10 1u4f s VAL 302 Ca -0.11 0.90 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1u4f s VAL 302 Cb -0.16 -3.57 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1u4f s VAL 302 CO 0.02 0.21 1.46 1.21 0.00 0.00 0.00 175.10 178.00 1u4f n GLU 303 N 0.82 2.50 -2.83 2.72 2.13 -0.61 -3.00 120.64 122.37 1u4f n GLU 303 Ca 0.00 0.88 -0.12 0.00 0.66 0.00 0.00 57.16 58.59 1u4f n GLU 303 Cb 0.43 -2.58 0.03 0.00 0.27 0.00 0.00 31.44 29.58 1u4f n GLU 303 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1u4f n ALA 304 N 0.95 -0.56 -2.80 4.31 0.00 -1.26 -4.94 120.51 116.21 1u4f n ALA 304 Ca 0.05 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.56 1u4f n ALA 304 Cb 0.37 -2.58 -0.06 0.00 0.00 0.00 0.00 19.45 17.17 1u4f n ALA 304 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u4f s THR 305 N -3.00 0.11 -0.53 0.00 -4.23 -1.16 -5.05 115.64 101.77 1u4f s THR 305 Ca 0.22 -0.88 0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1u4f s THR 305 Cb -0.10 -1.19 0.42 0.00 1.34 0.00 0.00 72.50 72.98 1u4f s THR 305 CO 0.27 -0.49 1.50 0.00 -0.54 0.00 0.00 174.62 175.37 1u4f n ALA 306 N 0.05 5.61 -3.59 3.99 0.00 -1.26 -4.83 120.51 120.48 1u4f n ALA 306 Ca -0.16 -3.99 -0.24 0.00 0.00 0.00 0.00 53.44 49.05 1u4f n ALA 306 Cb 0.62 -1.03 -0.17 0.00 0.00 0.00 0.00 19.45 18.88 1u4f n ALA 306 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1u4f s MET 307 N -3.73 1.39 -0.31 0.00 -2.45 -1.26 -5.11 119.30 107.83 1u4f s MET 307 Ca 0.53 -0.28 -0.18 0.00 -1.25 0.00 0.00 55.69 54.50 1u4f s MET 307 Cb 0.43 -1.25 -0.01 0.00 1.25 0.00 0.00 34.83 35.24 1u4f s MET 307 CO -0.15 -0.06 0.52 0.95 1.05 0.00 0.00 175.02 177.33 1u4f s THR 308 N 0.93 5.03 0.18 10.11 -4.23 -1.26 -4.03 115.64 122.37 1u4f s THR 308 Ca -0.10 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 60.92 1u4f s THR 308 Cb -0.15 -3.90 -0.06 0.00 1.34 0.00 0.00 72.50 69.72 1u4f s THR 308 CO 0.01 -0.08 0.45 -0.89 -0.54 0.00 0.00 174.62 173.57 1u4f s THR 309 N 2.37 5.06 -0.14 3.99 2.01 0.20 -4.91 115.64 124.21 1u4f s THR 309 Ca 0.20 0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.45 1u4f s THR 309 Cb -0.15 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.77 1u4f s THR 309 CO 0.12 0.01 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.43 1u4f s GLN 310 N -2.67 1.30 -0.14 4.92 0.74 -1.26 -1.87 119.66 120.68 1u4f s GLN 310 Ca 0.43 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.43 1u4f s GLN 310 Cb -0.12 -1.78 -0.03 0.00 1.10 0.00 0.00 33.01 32.17 1u4f s GLN 310 CO 0.23 -0.39 0.01 0.00 -0.55 0.00 0.00 175.29 174.59 1u4f s ARG 312 N -0.16 1.39 0.17 0.00 0.52 -1.26 -1.28 118.95 118.32 1u4f s ARG 312 Ca 0.05 -1.66 -0.17 0.00 -0.52 0.00 0.00 55.73 53.43 1u4f s ARG 312 Cb -0.12 -1.02 0.06 0.00 0.52 0.00 0.00 34.95 34.38 1u4f s ARG 312 CO 0.02 0.08 0.83 0.45 0.02 0.00 0.00 175.30 176.70 1u4f n SER 313 N -0.45 -1.48 -3.48 0.23 2.88 -0.75 -4.96 113.62 105.61 1u4f n SER 313 Ca -0.07 -1.81 -0.14 0.00 -1.33 0.00 0.00 58.87 55.53 1u4f n SER 313 Cb 0.62 2.41 -0.04 0.00 -0.75 0.00 0.00 64.21 66.45 1u4f n SER 313 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1u4f s SER 314 N -2.98 -0.56 -0.09 -3.46 1.04 -1.26 -1.69 113.70 104.70 1u4f s SER 314 Ca 0.18 0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.90 1u4f s SER 314 Cb -0.03 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1u4f s SER 314 CO 0.05 -0.75 -0.09 -0.31 0.98 0.00 0.00 173.24 173.12 1u4f s TYR 315 N -2.57 1.39 0.60 5.02 2.02 0.52 -4.96 117.35 119.37 1u4f s TYR 315 Ca -0.03 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 55.98 1u4f s TYR 315 Cb -0.01 -1.12 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 1u4f s TYR 315 CO -0.03 -0.40 0.95 -0.51 -1.57 0.00 0.00 175.55 173.99 1u4f s LEU 316 N 1.29 3.27 0.29 -1.29 1.43 -1.26 -0.45 118.68 121.96 1u4f s LEU 316 Ca -0.03 1.07 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1u4f s LEU 316 Cb -0.14 -4.00 0.72 0.00 0.03 0.00 0.00 46.19 42.81 1u4f s LEU 316 CO -0.03 -0.94 1.72 0.00 0.23 0.00 0.00 176.35 177.33 1u4f h ALA 317 N -0.22 1.49 0.00 4.21 0.00 -1.79 0.31 119.26 123.26 1u4f h ALA 317 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1u4f h ALA 317 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1u4f h ALA 317 CO 0.62 -0.26 0.00 0.27 0.00 0.00 0.00 179.25 179.88 1u4f n ASN 318 N -4.96 0.00 -0.91 0.00 6.94 -1.26 -2.67 115.26 112.41 1u4f n ASN 318 Ca 0.22 -1.05 0.09 0.00 -0.02 0.00 0.00 54.58 53.82 1u4f n ASN 318 Cb 0.62 0.00 0.17 0.00 -2.36 0.00 0.00 39.78 38.21 1u4f n ASN 318 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1u4f n GLU 319 N -0.84 2.22 -3.70 -3.83 1.02 0.11 -4.88 120.64 110.74 1u4f n GLU 319 Ca 0.13 -2.04 -0.37 0.00 -0.02 0.00 0.00 57.16 54.87 1u4f n GLU 319 Cb 0.06 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 1u4f n GLU 319 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1u4f s ILE 320 N -1.24 4.91 -0.51 -3.67 1.01 -1.09 -1.83 121.20 118.78 1u4f s ILE 320 Ca 0.31 0.03 -0.19 0.00 0.00 0.00 0.00 60.65 60.80 1u4f s ILE 320 Cb 0.18 -3.31 0.06 0.00 0.01 0.00 0.00 42.46 39.40 1u4f s ILE 320 CO 0.25 0.31 0.61 -0.76 0.00 0.00 0.00 174.94 175.35 1u4f s LEU 321 N 1.50 5.07 0.05 2.97 1.43 0.25 -4.93 118.68 125.02 1u4f s LEU 321 Ca 0.06 -1.00 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 1u4f s LEU 321 Cb -0.15 -2.41 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 1u4f s LEU 321 CO 0.07 -0.89 1.16 0.86 0.23 0.00 0.00 176.35 177.78 1u4f s TRP 322 N 2.55 3.46 0.00 0.29 -0.11 -1.26 -1.74 118.94 122.14 1u4f s TRP 322 Ca 0.14 1.36 0.00 0.00 1.22 0.00 0.00 56.10 58.82 1u4f s TRP 322 Cb -0.20 -3.37 0.00 0.00 -1.50 0.00 0.00 33.47 28.40 1u4f s TRP 322 CO 0.11 -1.07 0.00 0.41 -4.62 0.00 0.00 176.95 171.78 1u4f n GLY 323 N 3.17 0.58 3.31 5.86 0.00 0.18 -4.91 105.19 113.38 1u4f n GLY 323 Ca 0.09 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 1u4f n GLY 323 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u4f s HIS 324 N -2.33 1.55 0.09 1.61 3.76 -1.22 -0.10 115.29 118.65 1u4f s HIS 324 Ca 0.00 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.29 1u4f s HIS 324 Cb 0.00 -0.74 -0.04 0.00 1.11 0.00 0.00 32.58 32.91 1u4f s HIS 324 CO 0.00 0.25 -0.07 1.03 -0.85 0.00 0.00 174.74 175.10 1u4f s ARG 325 N -3.68 0.78 0.36 1.40 0.52 -0.25 -4.37 118.95 113.71 1u4f s ARG 325 Ca 0.20 -1.20 -0.14 0.00 -0.52 0.00 0.00 55.73 54.08 1u4f s ARG 325 Cb 0.01 -0.28 -0.08 0.00 0.52 0.00 0.00 34.95 35.11 1u4f s ARG 325 CO 0.05 0.01 0.76 0.71 0.02 0.00 0.00 175.30 176.85 1u4f s TYR 326 N -3.02 3.41 0.01 -0.53 1.51 -1.26 -0.05 117.35 117.42 1u4f s TYR 326 Ca 0.07 1.17 -0.30 0.00 -1.01 0.00 0.00 57.07 57.00 1u4f s TYR 326 Cb 0.01 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 1u4f s TYR 326 CO -0.03 0.01 0.96 -1.21 -1.11 0.00 0.00 175.55 174.17 1u4f s GLU 327 N -3.31 4.57 0.38 -0.62 0.41 0.23 -4.81 118.70 115.54 1u4f s GLU 327 Ca 0.53 1.40 -0.27 0.00 -0.41 0.00 0.00 54.97 56.22 1u4f s GLU 327 Cb -0.10 -3.45 -0.11 0.00 -1.78 0.00 0.00 34.13 28.68 1u4f s GLU 327 CO 0.22 -0.02 1.23 -2.30 -0.49 0.00 0.00 175.26 173.90 1u4f n PRO 328 N 3.78 1.91 -0.00 0.39 -0.02 -1.26 -4.76 135.00 135.04 1u4f n PRO 328 Ca 0.05 0.67 0.02 0.00 -2.02 0.00 0.00 63.50 62.23 1u4f n PRO 328 Cb 0.51 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1u4f n PRO 328 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1u4f n VAL 329 N 0.02 0.00 -3.55 -1.45 0.24 -1.26 -4.92 118.33 107.42 1u4f n VAL 329 Ca 0.06 -0.13 -0.37 0.00 -2.04 0.00 0.00 64.34 61.87 1u4f n VAL 329 Cb 0.37 0.46 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 1u4f n VAL 329 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1u4f s LEU 330 N -3.20 4.27 0.01 1.34 2.96 -1.26 -0.18 118.68 122.62 1u4f s LEU 330 Ca -0.01 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1u4f s LEU 330 Cb 0.03 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 1u4f s LEU 330 CO 0.18 0.13 -0.05 -0.36 -1.32 0.00 0.00 176.35 174.93 1u4f s PHE 331 N 0.26 0.45 0.01 5.38 0.08 -0.19 -4.98 117.98 118.98 1u4f s PHE 331 Ca 0.17 -0.19 -0.21 0.00 0.12 0.00 0.00 56.93 56.83 1u4f s PHE 331 Cb -0.13 -0.28 -0.05 0.00 -0.57 0.00 0.00 43.02 41.98 1u4f s PHE 331 CO 0.05 -0.03 0.61 -2.00 -0.10 0.00 0.00 175.22 173.74 1u4f s GLU 332 N -0.48 4.32 0.00 0.44 2.12 -1.26 -0.57 118.70 123.27 1u4f s GLU 332 Ca -0.02 0.76 0.00 0.00 0.36 0.00 0.00 54.97 56.07 1u4f s GLU 332 Cb -0.04 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1u4f s GLU 332 CO -0.00 0.38 0.00 0.39 -0.54 0.00 0.00 175.26 175.49 1u4f n GLU 333 N 2.65 2.44 0.46 4.30 -0.58 0.10 -4.94 120.64 125.08 1u4f n GLU 333 Ca -0.07 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.47 1u4f n GLU 333 Cb 0.51 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.28 1u4f n GLU 333 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1u4f h LYS 334 N 0.00 -1.18 -0.60 3.49 3.64 -2.02 -3.36 116.57 116.54 1u4f h LYS 334 Ca 0.00 0.08 -0.35 0.00 -1.27 0.00 0.00 60.65 59.11 1u4f h LYS 334 Cb 0.00 0.27 -0.41 0.00 -0.41 0.00 0.00 32.23 31.68 1u4f h LYS 334 CO 0.00 -0.78 -1.02 -2.39 -2.27 0.00 0.00 179.45 172.98 1u4f n HIS 335 N -5.63 1.76 -3.75 1.91 1.44 -1.26 -4.60 115.22 105.10 1u4f n HIS 335 Ca -0.15 -2.24 0.02 0.00 -2.01 0.00 0.00 57.72 53.34 1u4f n HIS 335 Cb 0.50 -0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.34 1u4f n HIS 335 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1u4f s TYR 336 N -3.69 -0.01 0.03 -1.40 1.13 -1.26 -4.12 117.35 108.03 1u4f s TYR 336 Ca 0.35 -0.10 0.08 0.00 -1.41 0.00 0.00 57.07 56.00 1u4f s TYR 336 Cb 0.36 0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 41.74 1u4f s TYR 336 CO -0.02 -0.28 -0.24 0.71 -2.51 0.00 0.00 175.55 173.22 1u4f s TYR 337 N -2.26 2.39 -0.05 -3.49 1.51 -0.84 0.02 117.35 114.63 1u4f s TYR 337 Ca 0.20 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 1u4f s TYR 337 Cb 0.03 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.43 1u4f s TYR 337 CO -0.03 0.14 -0.20 -1.59 -1.11 0.00 0.00 175.55 172.76 1u4f s LYS 338 N -1.21 2.48 -0.33 -0.62 -2.85 0.27 -0.37 119.74 117.11 1u4f s LYS 338 Ca 0.12 -0.81 -0.05 0.00 -1.00 0.00 0.00 55.97 54.23 1u4f s LYS 338 Cb -0.10 -2.25 0.05 0.00 -2.06 0.00 0.00 37.83 33.46 1u4f s LYS 338 CO 0.02 0.51 0.09 0.08 0.10 0.00 0.00 175.35 176.15 1u4f s VAL 339 N -0.46 3.60 -0.87 1.79 1.01 0.14 -1.03 120.40 124.58 1u4f s VAL 339 Ca 0.05 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 1u4f s VAL 339 Cb -0.12 -3.06 0.14 0.00 0.00 0.00 0.00 36.38 33.34 1u4f s VAL 339 CO 0.01 -0.19 1.02 -0.62 0.00 0.00 0.00 175.10 175.32 1u4f s ASP 340 N 1.41 6.60 0.46 3.32 2.15 0.75 -1.14 116.67 130.21 1u4f s ASP 340 Ca -0.02 -2.06 0.31 0.00 0.43 0.00 0.00 52.55 51.21 1u4f s ASP 340 Cb -0.20 -2.36 1.61 0.00 -0.30 0.00 0.00 42.92 41.67 1u4f s ASP 340 CO 0.02 -0.99 1.95 1.88 -0.17 0.00 0.00 175.17 177.85 1u4f h TYR 341 N 8.70 0.00 0.00 -5.34 -1.99 -1.63 -2.24 116.97 114.47 1u4f h TYR 341 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1u4f h TYR 341 Cb 1.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.76 1u4f h TYR 341 CO 1.11 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 178.14 1u4f n SER 342 N -2.64 0.32 -0.62 3.88 3.41 -1.24 -1.05 113.62 115.68 1u4f n SER 342 Ca -0.01 0.63 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1u4f n SER 342 Cb 0.11 -0.68 0.08 0.00 -0.26 0.00 0.00 64.21 63.46 1u4f n SER 342 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1u4f n ARG 343 N -1.90 1.28 -0.11 4.33 1.74 -0.84 -4.72 116.66 116.44 1u4f n ARG 343 Ca 0.00 -1.49 -0.14 0.00 -0.77 0.00 0.00 57.85 55.45 1u4f n ARG 343 Cb 0.07 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.12 1u4f n ARG 343 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1u4f h PHE 344 N 2.83 -1.66 0.00 -1.55 3.57 -1.23 -1.63 116.94 117.27 1u4f h PHE 344 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1u4f h PHE 344 Cb 0.63 0.77 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1u4f h PHE 344 CO 0.04 -0.50 0.00 0.72 -2.23 0.00 0.00 178.31 176.34 1u4f n HIS 345 N -5.39 0.00 -2.25 0.41 8.25 -1.26 -4.81 115.22 110.17 1u4f n HIS 345 Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 1u4f n HIS 345 Cb 0.35 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 1u4f n HIS 345 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1u4f s LYS 346 N -2.97 4.44 0.06 -0.41 1.02 -0.61 -4.79 119.74 116.48 1u4f s LYS 346 Ca 0.12 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.17 1u4f s LYS 346 Cb 0.16 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1u4f s LYS 346 CO 0.44 -0.11 -0.05 0.95 -0.92 0.00 0.00 175.35 175.66 1u4f s THR 347 N -0.68 0.41 0.03 2.17 -4.23 -1.26 -0.60 115.64 111.47 1u4f s THR 347 Ca 0.51 -1.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1u4f s THR 347 Cb -0.36 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 1u4f s THR 347 CO 0.44 -0.86 -0.08 -0.72 -0.54 0.00 0.00 174.62 172.87 1u4f s TYR 348 N -3.38 0.67 0.56 3.99 -0.85 0.93 -4.86 117.35 114.41 1u4f s TYR 348 Ca 0.05 -0.36 -0.17 0.00 -0.52 0.00 0.00 57.07 56.07 1u4f s TYR 348 Cb 0.04 -0.41 -0.05 0.00 0.38 0.00 0.00 41.96 41.92 1u4f s TYR 348 CO -0.06 -0.05 1.06 -1.21 -1.52 0.00 0.00 175.55 173.77 1u4f s GLU 349 N -1.08 3.42 -0.37 -3.49 2.02 -1.26 -1.09 118.70 116.84 1u4f s GLU 349 Ca -0.05 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.25 1u4f s GLU 349 Cb -0.07 -2.04 0.14 0.00 0.10 0.00 0.00 34.13 32.25 1u4f s GLU 349 CO 0.00 -0.74 0.21 0.08 0.02 0.00 0.00 175.26 174.84 1u4f s VAL 350 N -2.25 0.52 -0.03 2.63 1.01 0.86 -4.89 120.40 118.25 1u4f s VAL 350 Ca 0.66 -1.91 0.24 0.00 0.00 0.00 0.00 61.98 60.97 1u4f s VAL 350 Cb -0.17 -1.38 0.24 0.00 0.00 0.00 0.00 36.38 35.06 1u4f s VAL 350 CO 0.31 -0.94 1.71 -0.65 0.00 0.00 0.00 175.10 175.53 1u4f h PRO 351 N 7.02 0.00 0.00 2.72 0.11 -1.97 -1.22 132.00 138.66 1u4f h PRO 351 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1u4f h PRO 351 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1u4f h PRO 351 CO 0.34 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.42 1u4f n ASN 352 N -2.35 0.32 -4.72 -2.05 5.15 -1.26 -4.83 115.26 105.52 1u4f n ASN 352 Ca -0.02 0.56 -0.42 0.00 -0.60 0.00 0.00 54.58 54.10 1u4f n ASN 352 Cb 0.09 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.68 1u4f n ASN 352 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1u4f s THR 353 N -3.10 3.01 0.64 -0.44 2.01 -0.46 -4.99 115.64 112.30 1u4f s THR 353 Ca 0.08 0.75 -0.17 0.00 0.31 0.00 0.00 61.69 62.66 1u4f s THR 353 Cb 0.12 -3.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.14 1u4f s THR 353 CO 0.41 0.07 1.18 -2.84 -0.69 0.00 0.00 174.62 172.75 1u4f s PRO 354 N 0.77 2.77 0.00 4.92 0.02 -1.26 -4.95 135.00 137.27 1u4f s PRO 354 Ca 0.64 1.69 0.23 0.00 0.02 0.00 0.00 61.00 63.58 1u4f s PRO 354 Cb -0.39 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.25 1u4f s PRO 354 CO 0.33 -1.33 1.10 1.28 -0.33 0.00 0.00 177.00 178.06 1u4f n LEU 355 N -2.02 1.52 -4.94 -5.54 4.77 -1.26 -4.90 117.00 104.62 1u4f n LEU 355 Ca 0.13 -0.58 -0.26 0.00 -0.03 0.00 0.00 56.01 55.27 1u4f n LEU 355 Cb 0.50 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.66 1u4f n LEU 355 CO 0.46 0.30 0.65 0.00 -1.33 0.00 0.00 177.39 177.47 1u4f s SER 357 N -4.63 5.70 0.31 0.00 1.04 -1.26 -4.56 113.70 110.30 1u4f s SER 357 Ca 0.64 0.67 0.06 0.00 0.48 0.00 0.00 55.95 57.80 1u4f s SER 357 Cb -0.08 -1.74 0.72 0.00 0.10 0.00 0.00 66.02 65.02 1u4f s SER 357 CO 0.46 -0.96 1.79 0.00 0.98 0.00 0.00 173.24 175.51 1u4f h ALA 358 N -0.05 1.67 -0.19 5.32 0.00 -1.67 -0.67 119.26 123.67 1u4f h ALA 358 Ca -0.46 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1u4f h ALA 358 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1u4f h ALA 358 CO 0.60 -0.02 0.11 -0.09 0.00 0.00 0.00 179.25 179.85 1u4f h ARG 359 N 0.79 0.26 -0.71 0.00 2.43 -1.80 -1.19 114.38 114.16 1u4f h ARG 359 Ca 0.56 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.76 1u4f h ARG 359 Cb 0.84 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.28 1u4f h ARG 359 CO -0.35 0.23 0.41 -0.44 -1.51 0.00 0.00 179.97 178.31 1u4f h ASP 360 N 0.21 0.62 0.51 -3.80 3.45 -1.47 0.17 116.42 116.12 1u4f h ASP 360 Ca 0.07 0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1u4f h ASP 360 Cb 0.04 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1u4f h ASP 360 CO -0.01 0.40 -0.13 -0.07 -1.57 0.00 0.00 179.24 177.86 1u4f h LEU 361 N 0.76 0.00 0.11 1.55 3.38 -0.91 -0.66 115.31 119.53 1u4f h LEU 361 Ca 0.32 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.01 1u4f h LEU 361 Cb 0.18 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.96 1u4f h LEU 361 CO -0.18 0.13 -1.14 0.00 0.09 0.00 0.00 178.44 177.34 1u4f h ALA 362 N 1.87 -0.01 -0.28 1.53 0.00 0.23 -3.24 119.26 119.36 1u4f h ALA 362 Ca -0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 54.06 1u4f h ALA 362 Cb 0.42 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1u4f h ALA 362 CO 0.02 0.62 -0.25 0.93 0.00 0.00 0.00 179.25 180.56 1u4f h GLU 363 N 0.17 0.67 0.00 0.00 5.08 -0.93 -0.38 114.58 119.20 1u4f h GLU 363 Ca -0.17 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1u4f h GLU 363 Cb 1.83 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1u4f h GLU 363 CO 0.22 0.95 0.01 1.17 -1.00 0.00 0.00 179.01 180.35 1u4f n LYS 364 N -4.30 0.03 -0.07 2.33 4.81 -0.28 -2.38 118.16 118.30 1u4f n LYS 364 Ca -0.04 0.53 -0.10 0.00 -0.87 0.00 0.00 58.31 57.83 1u4f n LYS 364 Cb 0.45 -1.61 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 1u4f n LYS 364 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1u4f n LYS 365 N -1.68 0.33 0.09 1.64 5.02 -1.02 -4.55 118.16 117.99 1u4f n LYS 365 Ca -0.00 0.09 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 1u4f n LYS 365 Cb 0.01 -1.23 0.39 0.00 -0.02 0.00 0.00 35.03 34.18 1u4f n LYS 365 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1u4f n TYR 366 N -2.99 0.47 0.19 2.13 4.02 -0.18 -1.46 117.16 119.34 1u4f n TYR 366 Ca -0.24 0.21 0.04 0.00 -0.01 0.00 0.00 57.90 57.90 1u4f n TYR 366 Cb 0.75 -0.84 0.38 0.00 -0.02 0.00 0.00 39.34 39.60 1u4f n TYR 366 CO 0.00 0.00 0.00 -0.84 -1.01 0.00 0.00 176.86 175.01 1u4f h ILE 367 N 0.00 1.07 0.00 -0.72 3.07 -1.71 -3.51 117.51 115.72 1u4f h ILE 367 Ca 0.00 -1.35 0.00 0.00 1.55 0.00 0.00 64.86 65.06 1u4f h ILE 367 Cb 0.17 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 1u4f h ILE 367 CO 0.00 0.36 0.00 0.18 -1.05 0.00 0.00 178.15 177.64