#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 4.17 0.16 -1.46 1.70 -1.26 -4.97 118.95 117.28 1u4f s ARG 46 Ca 0.00 0.22 -0.09 0.00 -0.47 0.00 0.00 55.73 55.38 1u4f s ARG 46 Cb 0.00 -3.38 -0.00 0.00 -0.57 0.00 0.00 34.95 31.00 1u4f s ARG 46 CO 0.00 0.33 1.50 0.35 -1.08 0.00 0.00 175.30 176.39 1u4f h PHE 47 N 6.26 1.06 -3.85 5.89 3.57 -1.96 -3.39 116.94 124.52 1u4f h PHE 47 Ca -0.44 -0.32 -0.68 0.00 3.53 0.00 0.00 57.97 60.06 1u4f h PHE 47 Cb 1.18 -0.22 -0.30 0.00 2.79 0.00 0.00 35.95 39.40 1u4f h PHE 47 CO 0.63 1.13 -0.85 0.08 -2.23 0.00 0.00 178.31 177.07 1u4f s VAL 48 N -4.38 2.35 0.58 1.41 1.01 -1.26 -0.62 120.40 119.50 1u4f s VAL 48 Ca -0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1u4f s VAL 48 Cb 0.11 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1u4f s VAL 48 CO 0.87 0.57 0.88 -0.54 0.00 0.00 0.00 175.10 176.87 1u4f s LYS 49 N -0.12 2.83 0.56 2.72 1.02 0.22 -4.95 119.74 122.02 1u4f s LYS 49 Ca -0.04 -0.14 0.26 0.00 0.02 0.00 0.00 55.97 56.06 1u4f s LYS 49 Cb -0.14 -2.31 1.54 0.00 -0.52 0.00 0.00 37.83 36.40 1u4f s LYS 49 CO 0.04 -0.71 2.09 0.87 -0.92 0.00 0.00 175.35 176.72 1u4f h LYS 50 N -0.13 0.00 -0.09 1.68 1.79 -2.01 -1.34 116.57 116.47 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 1.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1u4f h LYS 50 CO 0.60 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.57 1u4f n ASP 51 N -4.05 2.21 0.00 0.86 5.75 -1.26 -4.95 116.55 115.11 1u4f n ASP 51 Ca 0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1u4f n ASP 51 Cb 0.34 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1u4f n ASP 51 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u4f n GLY 52 N 1.26 2.66 3.78 6.12 0.00 -0.50 -5.08 105.19 113.43 1u4f n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.49 2.72 -0.15 1.61 3.76 -1.26 -4.64 115.29 114.84 1u4f s HIS 53 Ca 0.00 1.55 -0.05 0.00 -0.15 0.00 0.00 55.06 56.41 1u4f s HIS 53 Cb 0.00 -3.23 -0.04 0.00 1.11 0.00 0.00 32.58 30.43 1u4f s HIS 53 CO 0.00 -1.48 0.03 0.00 -0.85 0.00 0.00 174.74 172.44 1u4f n ASN 55 N 3.09 5.77 -4.01 0.00 4.13 0.21 -4.88 115.26 119.57 1u4f n ASN 55 Ca -0.17 -2.80 -0.17 0.00 1.68 0.00 0.00 54.58 53.12 1u4f n ASN 55 Cb 0.53 -1.60 -0.14 0.00 -1.54 0.00 0.00 39.78 37.03 1u4f n ASN 55 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1u4f s VAL 56 N 2.38 0.62 -0.05 2.41 0.11 -1.25 -0.22 120.40 124.40 1u4f s VAL 56 Ca 0.54 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 59.17 1u4f s VAL 56 Cb 0.15 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.45 1u4f s VAL 56 CO -0.07 0.08 -0.19 -1.58 -3.33 0.00 0.00 175.10 170.01 1u4f s GLN 57 N -0.43 1.97 -0.14 1.54 0.74 0.16 -4.95 119.66 118.56 1u4f s GLN 57 Ca 0.01 -0.68 -0.04 0.00 0.05 0.00 0.00 55.36 54.70 1u4f s GLN 57 Cb -0.04 -1.70 -0.03 0.00 1.10 0.00 0.00 33.01 32.33 1u4f s GLN 57 CO -0.00 0.28 0.01 -0.06 -0.55 0.00 0.00 175.29 174.97 1u4f s PHE 58 N -0.01 3.16 0.17 1.67 0.40 -1.26 -0.23 117.98 121.87 1u4f s PHE 58 Ca -0.04 0.02 0.08 0.00 -0.60 0.00 0.00 56.93 56.39 1u4f s PHE 58 Cb -0.12 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1u4f s PHE 58 CO 0.03 0.23 -0.16 0.96 0.70 0.00 0.00 175.22 176.98 1u4f s ILE 59 N -0.15 1.71 -1.35 0.64 -4.36 -0.71 -4.79 121.20 112.20 1u4f s ILE 59 Ca 0.05 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.37 1u4f s ILE 59 Cb -0.12 -1.87 0.02 0.00 1.25 0.00 0.00 42.46 41.73 1u4f s ILE 59 CO 0.02 -0.44 1.02 0.59 0.24 0.00 0.00 174.94 176.37 1u4f n ASN 60 N 0.07 -4.11 0.11 4.36 3.02 -1.26 -2.71 115.26 114.73 1u4f n ASN 60 Ca -0.11 -0.66 0.01 0.00 -0.03 0.00 0.00 54.58 53.79 1u4f n ASN 60 Cb 0.58 -4.64 -0.01 0.00 -0.61 0.00 0.00 39.78 35.10 1u4f n ASN 60 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1u4f h VAL 61 N -2.24 0.86 0.00 2.41 3.04 -1.94 -3.37 116.25 115.02 1u4f h VAL 61 Ca -0.58 -2.28 0.00 0.00 -1.01 0.00 0.00 66.70 62.83 1u4f h VAL 61 Cb 1.36 2.38 0.00 0.00 -2.01 0.00 0.00 31.29 33.02 1u4f h VAL 61 CO 0.57 0.49 0.00 0.61 -1.01 0.00 0.00 177.57 178.23 1u4f n GLY 62 N 1.27 -1.80 3.80 3.17 0.00 -1.26 -4.84 105.19 105.54 1u4f n GLY 62 Ca -0.01 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 2.15 0.05 1.61 1.03 -1.26 -4.91 118.70 117.37 1u4f s GLU 63 Ca 0.00 0.68 0.11 0.00 0.03 0.00 0.00 54.97 55.79 1u4f s GLU 63 Cb 0.00 -1.92 0.48 0.00 -0.80 0.00 0.00 34.13 31.89 1u4f s GLU 63 CO 0.00 -1.59 1.34 1.63 -1.33 0.00 0.00 175.26 175.32 1u4f n LYS 188 N -3.42 0.03 0.10 -4.83 5.02 -1.26 -2.27 118.16 111.53 1u4f n LYS 188 Ca 0.07 0.39 0.19 0.00 -2.02 0.00 0.00 58.31 56.94 1u4f n LYS 188 Cb 0.56 -1.57 0.75 0.00 -0.02 0.00 0.00 35.03 34.75 1u4f n LYS 188 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u4f h ARG 189 N 0.00 0.00 0.00 1.97 3.08 -1.98 -3.27 114.38 114.18 1u4f h ARG 189 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u4f h ARG 189 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1u4f h ARG 189 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1u4f n ASN 190 N -3.97 0.00 -3.32 7.04 5.03 -0.96 -4.87 115.26 114.21 1u4f n ASN 190 Ca 0.06 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.26 1u4f n ASN 190 Cb 0.52 0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.23 1u4f n ASN 190 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1u4f n GLU 191 N 0.00 -1.04 -3.25 3.52 -0.58 -1.23 -4.84 120.64 113.21 1u4f n GLU 191 Ca 0.00 0.08 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 1u4f n GLU 191 Cb 0.00 -3.20 -0.03 0.00 -0.57 0.00 0.00 31.44 27.63 1u4f n GLU 191 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1u4f n THR 192 N -2.74 0.00 -1.98 2.62 -2.24 -1.26 -3.65 114.28 105.03 1u4f n THR 192 Ca 0.07 -1.32 -0.41 0.00 -2.27 0.00 0.00 64.05 60.11 1u4f n THR 192 Cb 0.31 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 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 4.38 0.02 3.22 1.43 -1.26 -2.06 118.68 124.41 1u4f s LEU 193 Ca 0.22 2.77 0.01 0.00 -1.03 0.00 0.00 54.13 56.09 1u4f s LEU 193 Cb 0.00 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.56 1u4f s LEU 193 CO 0.15 -0.70 -0.04 0.54 0.23 0.00 0.00 176.35 176.53 1u4f s VAL 194 N -0.56 0.20 0.06 -1.59 0.11 0.66 -4.94 120.40 114.34 1u4f s VAL 194 Ca 0.55 -0.80 0.06 0.00 -2.93 0.00 0.00 61.98 58.86 1u4f s VAL 194 Cb -0.43 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1u4f s VAL 194 CO 0.50 -0.39 -0.10 -0.36 -3.33 0.00 0.00 175.10 171.43 1u4f s PHE 195 N -1.20 2.75 0.41 1.54 0.40 -1.26 -0.78 117.98 119.84 1u4f s PHE 195 Ca -0.12 -0.14 -0.26 0.00 -0.60 0.00 0.00 56.93 55.81 1u4f s PHE 195 Cb -0.08 -1.49 -0.09 0.00 0.51 0.00 0.00 43.02 41.87 1u4f s PHE 195 CO -0.01 0.38 1.32 -1.54 0.70 0.00 0.00 175.22 176.08 1u4f s SER 196 N -1.85 6.29 0.24 1.36 1.04 -0.35 -4.90 113.70 115.54 1u4f s SER 196 Ca 0.19 2.69 -0.06 0.00 0.48 0.00 0.00 55.95 59.25 1u4f s SER 196 Cb -0.11 -2.64 0.28 0.00 0.10 0.00 0.00 66.02 63.65 1u4f s SER 196 CO 0.11 -0.87 1.89 -0.74 0.98 0.00 0.00 173.24 174.61 1u4f h HIS 197 N 2.69 1.11 -1.93 5.02 2.76 -1.92 -3.44 115.15 119.45 1u4f h HIS 197 Ca -0.50 0.03 -0.53 0.00 -2.20 0.00 0.00 60.37 57.17 1u4f h HIS 197 Cb 1.25 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.77 1u4f h HIS 197 CO 0.53 0.64 -0.52 -0.80 -1.30 0.00 0.00 177.93 176.48 1u4f s ASN 198 N -5.93 4.91 0.31 3.26 0.01 -1.26 -4.99 114.94 111.24 1u4f s ASN 198 Ca -0.13 -0.64 0.10 0.00 -0.71 0.00 0.00 52.86 51.48 1u4f s ASN 198 Cb 0.18 -0.86 -0.05 0.00 0.41 0.00 0.00 41.25 40.92 1u4f s ASN 198 CO 0.80 -0.26 -0.03 0.00 -1.51 0.00 0.00 177.10 176.10 1u4f s ALA 199 N -2.36 3.11 0.06 0.60 0.00 -0.87 -4.64 121.76 117.66 1u4f s ALA 199 Ca 0.38 -1.88 -0.01 0.00 0.00 0.00 0.00 51.96 50.45 1u4f s ALA 199 Cb -0.04 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1u4f s ALA 199 CO 0.24 0.15 -0.03 0.14 0.00 0.00 0.00 175.76 176.26 1u4f s VAL 200 N -2.47 0.26 -0.05 0.00 -7.23 -0.04 -0.34 120.40 110.53 1u4f s VAL 200 Ca 0.33 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1u4f s VAL 200 Cb -0.02 -1.55 0.02 0.00 0.56 0.00 0.00 36.38 35.38 1u4f s VAL 200 CO 0.19 -0.97 -0.07 -0.63 -0.31 0.00 0.00 175.10 173.31 1u4f s ILE 201 N -3.90 0.71 -0.02 -0.62 1.01 -1.04 -0.26 121.20 117.08 1u4f s ILE 201 Ca 0.08 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1u4f s ILE 201 Cb 0.08 -0.70 0.11 0.00 0.01 0.00 0.00 42.46 41.95 1u4f s ILE 201 CO -0.09 0.26 1.10 0.00 0.00 0.00 0.00 174.94 176.21 1u4f s ALA 202 N 0.86 -1.96 0.32 9.38 0.00 -0.79 -0.70 121.76 128.86 1u4f s ALA 202 Ca -0.12 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.41 1u4f s ALA 202 Cb -0.15 0.32 -0.10 0.00 0.00 0.00 0.00 23.12 23.20 1u4f s ALA 202 CO 0.01 -0.86 1.21 -1.64 0.00 0.00 0.00 175.76 174.48 1u4f s MET 203 N -2.79 4.45 -0.19 0.00 -1.94 -1.26 -1.34 119.30 116.23 1u4f s MET 203 Ca 0.10 2.01 -0.05 0.00 -1.71 0.00 0.00 55.69 56.04 1u4f s MET 203 Cb 0.01 -3.08 0.10 0.00 2.01 0.00 0.00 34.83 33.86 1u4f s MET 203 CO -0.04 -0.03 0.36 0.50 -0.01 0.00 0.00 175.02 175.80 1u4f s ARG 204 N -1.70 0.28 -1.45 2.03 3.52 0.26 -4.88 118.95 117.00 1u4f s ARG 204 Ca 0.48 0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 56.78 1u4f s ARG 204 Cb -0.36 -0.07 0.04 0.00 -1.56 0.00 0.00 34.95 33.00 1u4f s ARG 204 CO 0.47 -0.39 0.71 -0.25 -0.81 0.00 0.00 175.30 175.03 1u4f n ASP 205 N 5.37 -5.26 0.00 -2.12 10.43 -1.26 -1.97 116.55 121.74 1u4f n ASP 205 Ca -0.06 -0.43 0.00 0.00 2.57 0.00 0.00 54.79 56.86 1u4f n ASP 205 Cb 0.50 -4.24 0.00 0.00 1.84 0.00 0.00 41.12 39.21 1u4f n ASP 205 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u4f n GLY 206 N -1.52 0.72 3.12 0.44 0.00 -1.26 -5.05 105.19 101.64 1u4f n GLY 206 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.29 0.86 -0.12 1.61 1.02 -0.83 -5.11 119.74 116.88 1u4f s LYS 207 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 1u4f s LYS 207 Cb 0.00 -0.84 -0.02 0.00 -0.52 0.00 0.00 37.83 36.45 1u4f s LYS 207 CO 0.00 0.21 1.22 -1.17 -0.92 0.00 0.00 175.35 174.69 1u4f s LEU 208 N -1.10 4.22 0.06 3.17 2.96 -1.26 -0.57 118.68 126.15 1u4f s LEU 208 Ca 0.00 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.70 1u4f s LEU 208 Cb -0.08 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1u4f s LEU 208 CO 0.01 -0.67 -0.16 0.00 -1.32 0.00 0.00 176.35 174.20 1u4f s LEU 210 N -1.37 4.12 0.07 0.00 2.96 -0.36 -1.88 118.68 122.22 1u4f s LEU 210 Ca 0.03 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.21 1u4f s LEU 210 Cb -0.09 -2.25 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 1u4f s LEU 210 CO 0.02 0.00 -0.10 -0.04 -1.32 0.00 0.00 176.35 174.91 1u4f s MET 211 N 1.23 0.72 0.09 1.98 -1.94 0.64 -0.93 119.30 121.09 1u4f s MET 211 Ca 0.12 -0.97 -0.12 0.00 -1.71 0.00 0.00 55.69 53.00 1u4f s MET 211 Cb -0.14 -0.49 0.02 0.00 2.01 0.00 0.00 34.83 36.22 1u4f s MET 211 CO 0.06 0.09 0.29 1.67 -0.01 0.00 0.00 175.02 177.12 1u4f s TRP 212 N -1.85 -0.04 -0.02 -0.03 -2.14 -0.73 -0.86 118.94 113.28 1u4f s TRP 212 Ca -0.02 -0.28 -0.02 0.00 2.66 0.00 0.00 56.10 58.45 1u4f s TRP 212 Cb -0.07 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.35 1u4f s TRP 212 CO 0.00 -0.59 0.12 0.50 -2.66 0.00 0.00 176.95 174.33 1u4f s ARG 213 N -3.49 3.23 0.01 3.25 3.52 -1.26 0.39 118.95 124.60 1u4f s ARG 213 Ca 0.02 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.26 1u4f s ARG 213 Cb 0.02 -2.97 -0.01 0.00 -1.56 0.00 0.00 34.95 30.43 1u4f s ARG 213 CO -0.09 0.67 -0.10 0.54 -0.81 0.00 0.00 175.30 175.51 1u4f s VAL 214 N -1.21 0.78 0.03 7.11 0.11 -0.33 -1.21 120.40 125.69 1u4f s VAL 214 Ca 0.23 -0.66 -0.12 0.00 -2.93 0.00 0.00 61.98 58.50 1u4f s VAL 214 Cb -0.12 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1u4f s VAL 214 CO 0.14 0.05 0.25 -0.83 -3.33 0.00 0.00 175.10 171.38 1u4f s GLY 215 N -0.69 -0.05 -0.40 6.54 0.00 0.04 -1.11 107.32 111.65 1u4f s GLY 215 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 1u4f s GLY 215 CO 0.00 -0.27 0.18 0.21 0.00 0.00 0.00 173.10 173.22 1u4f s ASN 216 N -1.93 5.14 0.50 1.64 3.04 -1.26 -0.25 114.94 121.82 1u4f s ASN 216 Ca -0.07 -2.10 0.29 0.00 0.04 0.00 0.00 52.86 51.02 1u4f s ASN 216 Cb -0.02 -1.79 1.18 0.00 -1.54 0.00 0.00 41.25 39.09 1u4f s ASN 216 CO -0.02 -0.50 1.92 -0.07 -3.04 0.00 0.00 177.10 175.39 1u4f h LEU 217 N 7.90 0.00 0.00 3.21 3.38 -1.72 -3.44 115.31 124.64 1u4f h LEU 217 Ca -0.11 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.62 1u4f h LEU 217 Cb 1.04 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.93 1u4f h LEU 217 CO 0.66 0.11 -0.12 -1.14 0.09 0.00 0.00 178.44 178.04 1u4f n ARG 218 N -3.27 -3.70 -0.00 1.13 0.63 -1.24 -4.65 116.66 105.56 1u4f n ARG 218 Ca 0.00 -0.97 0.04 0.00 -0.92 0.00 0.00 57.85 56.00 1u4f n ARG 218 Cb 0.35 -1.31 -0.05 0.00 0.45 0.00 0.00 32.46 31.90 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 -4.30 3.84 -3.28 -0.14 5.02 -1.26 -4.97 118.16 113.07 1u4f n LYS 219 Ca 0.09 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 1u4f n LYS 219 Cb 0.40 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.91 5.93 0.34 4.39 1.04 -1.26 -5.08 113.70 117.15 1u4f s SER 220 Ca 0.02 0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.24 1u4f s SER 220 Cb 0.06 -1.40 -0.10 0.00 0.10 0.00 0.00 66.02 64.68 1u4f s SER 220 CO 0.33 -0.53 0.95 -1.00 0.98 0.00 0.00 173.24 173.98 1u4f s HIS 221 N -2.33 3.62 -0.38 5.02 3.76 -1.26 -4.84 115.29 118.88 1u4f s HIS 221 Ca 0.46 1.75 -0.13 0.00 -0.15 0.00 0.00 55.06 57.00 1u4f s HIS 221 Cb -0.10 -2.93 0.02 0.00 1.11 0.00 0.00 32.58 30.68 1u4f s HIS 221 CO 0.34 0.12 0.24 -1.17 -0.85 0.00 0.00 174.74 173.42 1u4f s LEU 222 N -2.22 4.79 0.12 0.89 2.96 -1.26 -0.91 118.68 123.05 1u4f s LEU 222 Ca 0.52 -0.84 -0.27 0.00 -0.22 0.00 0.00 54.13 53.32 1u4f s LEU 222 Cb -0.18 -2.09 -0.07 0.00 0.50 0.00 0.00 46.19 44.36 1u4f s LEU 222 CO 0.23 -0.37 0.83 -0.69 -1.32 0.00 0.00 176.35 175.03 1u4f s VAL 223 N 1.63 4.48 -1.30 1.68 1.01 0.15 -4.02 120.40 124.03 1u4f s VAL 223 Ca 0.04 1.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 1u4f s VAL 223 Cb -0.19 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 1u4f s VAL 223 CO 0.08 0.42 0.67 -0.62 0.00 0.00 0.00 175.10 175.65 1u4f n GLU 224 N 2.26 -4.21 -2.86 2.72 1.02 -1.26 -0.52 120.64 117.79 1u4f n GLU 224 Ca -0.02 0.58 -0.37 0.00 -0.02 0.00 0.00 57.16 57.33 1u4f n GLU 224 Cb 0.49 -5.00 -0.06 0.00 -0.02 0.00 0.00 31.44 26.85 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 -3.69 3.26 -0.12 0.62 0.00 -1.26 -4.39 121.76 116.19 1u4f s ALA 225 Ca 0.06 0.44 -0.24 0.00 0.00 0.00 0.00 51.96 52.22 1u4f s ALA 225 Cb -0.02 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 20.06 1u4f s ALA 225 CO 0.83 0.21 0.59 -3.38 0.00 0.00 0.00 175.76 174.01 1u4f s HIS 226 N -1.59 -0.59 0.19 0.00 -3.43 -0.63 -1.50 115.29 107.74 1u4f s HIS 226 Ca 0.48 1.20 0.07 0.00 -0.80 0.00 0.00 55.06 56.01 1u4f s HIS 226 Cb -0.18 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 31.21 1u4f s HIS 226 CO 0.23 -0.45 0.03 0.14 -2.00 0.00 0.00 174.74 172.69 1u4f s VAL 227 N -0.58 3.84 0.11 -5.38 -7.23 -0.19 -1.97 120.40 108.99 1u4f s VAL 227 Ca -0.07 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 1u4f s VAL 227 Cb -0.03 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 33.95 1u4f s VAL 227 CO 0.05 -0.15 0.20 -0.13 -0.31 0.00 0.00 175.10 174.76 1u4f s ARG 228 N -3.09 0.93 -0.00 4.82 0.52 -0.71 -4.90 118.95 116.52 1u4f s ARG 228 Ca 0.29 -1.07 -0.25 0.00 -0.52 0.00 0.00 55.73 54.17 1u4f s ARG 228 Cb -0.09 0.34 0.06 0.00 0.52 0.00 0.00 34.95 35.77 1u4f s ARG 228 CO 0.20 -0.30 0.56 0.00 0.02 0.00 0.00 175.30 175.77 1u4f s ALA 229 N -3.91 -1.45 -0.12 2.13 0.00 -1.26 -1.05 121.76 116.10 1u4f s ALA 229 Ca 0.10 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.82 1u4f s ALA 229 Cb 0.05 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.39 1u4f s ALA 229 CO -0.07 -0.42 0.33 -0.65 0.00 0.00 0.00 175.76 174.95 1u4f s GLN 230 N -1.78 0.38 -0.27 0.00 -0.21 -0.08 -1.58 119.66 116.12 1u4f s GLN 230 Ca -0.09 0.46 -0.18 0.00 0.02 0.00 0.00 55.36 55.58 1u4f s GLN 230 Cb -0.01 0.18 -0.03 0.00 1.00 0.00 0.00 33.01 34.15 1u4f s GLN 230 CO 0.04 -0.05 0.51 -1.17 -2.12 0.00 0.00 175.29 172.50 1u4f s LEU 231 N 0.22 4.07 -0.10 2.90 0.20 0.77 -0.15 118.68 126.59 1u4f s LEU 231 Ca -0.00 0.48 -0.14 0.00 0.69 0.00 0.00 54.13 55.16 1u4f s LEU 231 Cb -0.03 -2.65 -0.05 0.00 -0.43 0.00 0.00 46.19 43.04 1u4f s LEU 231 CO 0.00 -0.30 0.33 -0.76 -0.29 0.00 0.00 176.35 175.34 1u4f s LEU 232 N 2.31 4.35 -0.29 -0.68 1.43 0.19 -1.37 118.68 124.62 1u4f s LEU 232 Ca 0.21 0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 1u4f s LEU 232 Cb -0.16 -2.44 0.15 0.00 0.03 0.00 0.00 46.19 43.77 1u4f s LEU 232 CO 0.09 0.21 1.04 -0.75 0.23 0.00 0.00 176.35 177.17 1u4f s LYS 233 N -0.24 0.36 0.50 1.70 2.47 -0.97 -2.63 119.74 120.93 1u4f s LYS 233 Ca 0.20 0.56 -0.20 0.00 -1.56 0.00 0.00 55.97 54.96 1u4f s LYS 233 Cb -0.14 0.10 -0.07 0.00 -1.46 0.00 0.00 37.83 36.26 1u4f s LYS 233 CO 0.08 -0.06 1.09 -1.12 0.16 0.00 0.00 175.35 175.49 1u4f s SER 234 N 1.00 6.09 0.19 1.43 0.01 -1.21 -1.24 113.70 119.96 1u4f s SER 234 Ca -0.05 2.08 -0.17 0.00 1.31 0.00 0.00 55.95 59.12 1u4f s SER 234 Cb -0.04 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.64 1u4f s SER 234 CO -0.13 -0.96 0.51 0.00 0.41 0.00 0.00 173.24 173.08 1u4f s ARG 235 N -3.14 1.37 -0.06 12.44 1.70 -0.79 -4.87 118.95 125.58 1u4f s ARG 235 Ca 0.69 -0.87 0.06 0.00 -0.47 0.00 0.00 55.73 55.13 1u4f s ARG 235 Cb -0.21 0.51 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1u4f s ARG 235 CO 0.25 -0.58 -0.24 0.42 -1.08 0.00 0.00 175.30 174.07 1u4f s ILE 236 N -3.88 1.99 0.64 4.99 1.09 -1.26 -0.93 121.20 123.84 1u4f s ILE 236 Ca 0.09 -1.02 -0.06 0.00 -1.10 0.00 0.00 60.65 58.56 1u4f s ILE 236 Cb -0.01 -1.69 0.03 0.00 -1.06 0.00 0.00 42.46 39.73 1u4f s ILE 236 CO -0.03 0.55 0.94 0.28 -0.10 0.00 0.00 174.94 176.59 1u4f s THR 237 N -0.04 3.06 0.50 2.92 -1.32 -0.62 -4.92 115.64 115.21 1u4f s THR 237 Ca -0.07 -0.13 0.20 0.00 -1.21 0.00 0.00 61.69 60.49 1u4f s THR 237 Cb -0.14 -3.25 0.27 0.00 -1.51 0.00 0.00 72.50 67.86 1u4f s THR 237 CO 0.05 -0.26 2.12 0.77 -2.21 0.00 0.00 174.62 175.08 1u4f h SER 238 N -0.34 0.00 0.68 8.08 4.64 -2.01 0.15 113.55 124.75 1u4f h SER 238 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1u4f h SER 238 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1u4f h SER 238 CO 0.60 0.07 0.00 -0.33 -0.87 0.00 0.00 176.83 176.30 1u4f h GLU 239 N 0.00 0.00 0.00 4.77 3.07 -2.05 -3.45 114.58 116.92 1u4f h GLU 239 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1u4f h GLU 239 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1u4f h GLU 239 CO 0.01 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1u4f n GLY 240 N -0.21 0.68 3.71 -3.84 0.00 0.51 -5.05 105.19 100.98 1u4f n GLY 240 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.84 4.37 -0.11 1.61 2.12 -1.26 -4.76 118.70 119.83 1u4f s GLU 241 Ca 0.00 1.88 -0.19 0.00 0.36 0.00 0.00 54.97 57.02 1u4f s GLU 241 Cb 0.00 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 1u4f s GLU 241 CO 0.00 -0.38 0.50 -0.47 -0.54 0.00 0.00 175.26 174.38 1u4f s TYR 242 N 1.40 3.53 -0.25 5.30 5.04 -1.26 -1.59 117.35 129.52 1u4f s TYR 242 Ca 0.61 0.94 0.03 0.00 -2.44 0.00 0.00 57.07 56.20 1u4f s TYR 242 Cb -0.31 -2.57 0.06 0.00 0.35 0.00 0.00 41.96 39.48 1u4f s TYR 242 CO 0.28 0.17 -0.12 0.42 -1.34 0.00 0.00 175.55 174.97 1u4f s ILE 243 N 0.59 2.15 0.00 3.14 1.01 -0.10 -5.02 121.20 122.96 1u4f s ILE 243 Ca 0.27 -1.58 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1u4f s ILE 243 Cb -0.15 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1u4f s ILE 243 CO 0.11 0.01 0.77 -2.65 0.00 0.00 0.00 174.94 173.19 1u4f n PRO 244 N 4.45 0.00 -3.31 2.79 -0.02 -1.26 -1.89 135.00 135.75 1u4f n PRO 244 Ca -0.14 0.77 -0.25 0.00 -2.02 0.00 0.00 63.50 61.85 1u4f n PRO 244 Cb 0.43 -1.16 -0.09 0.00 -0.02 0.00 0.00 33.50 32.66 1u4f n PRO 244 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1u4f n LEU 245 N -2.74 -0.43 -4.63 2.45 4.77 -1.26 -3.36 117.00 111.80 1u4f n LEU 245 Ca 0.00 -4.40 -0.46 0.00 -0.03 0.00 0.00 56.01 51.11 1u4f n LEU 245 Cb 0.00 0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1u4f n LEU 245 CO 0.00 1.92 0.91 -0.67 -1.33 0.00 0.00 177.39 178.22 1u4f n ASP 246 N 2.46 2.21 -4.32 -1.43 2.03 -0.38 -4.51 116.55 112.62 1u4f n ASP 246 Ca 0.27 1.14 -0.45 0.00 0.52 0.00 0.00 54.79 56.27 1u4f n ASP 246 Cb 0.50 -1.34 -0.06 0.00 -0.72 0.00 0.00 41.12 39.49 1u4f n ASP 246 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1u4f s GLN 247 N -0.32 2.93 -0.27 -0.67 -0.21 -1.26 -2.29 119.66 117.57 1u4f s GLN 247 Ca 0.71 -1.61 -0.14 0.00 0.02 0.00 0.00 55.36 54.33 1u4f s GLN 247 Cb -0.73 -4.21 -0.04 0.00 1.00 0.00 0.00 33.01 29.03 1u4f s GLN 247 CO 0.50 -1.23 0.35 0.42 -2.12 0.00 0.00 175.29 173.21 1u4f s ILE 248 N 1.58 5.19 0.38 1.08 -1.09 -0.47 -4.91 121.20 122.97 1u4f s ILE 248 Ca 0.03 0.50 -0.28 0.00 -2.23 0.00 0.00 60.65 58.68 1u4f s ILE 248 Cb -0.28 -3.68 -0.11 0.00 -1.58 0.00 0.00 42.46 36.82 1u4f s ILE 248 CO 0.04 0.16 1.46 -0.62 -1.23 0.00 0.00 174.94 174.75 1u4f s ASP 249 N 1.66 6.34 -0.30 3.58 -1.08 -1.26 -0.16 116.67 125.44 1u4f s ASP 249 Ca 0.14 3.01 -0.04 0.00 -0.52 0.00 0.00 52.55 55.14 1u4f s ASP 249 Cb -0.16 -2.67 0.04 0.00 -1.46 0.00 0.00 42.92 38.67 1u4f s ASP 249 CO 0.10 -0.87 0.03 -0.63 0.52 0.00 0.00 175.17 174.32 1u4f s ILE 250 N -1.13 3.32 -0.08 4.11 1.01 -0.62 -4.81 121.20 123.00 1u4f s ILE 250 Ca 0.53 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.73 1u4f s ILE 250 Cb -0.46 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 1u4f s ILE 250 CO 0.62 -0.05 1.79 0.21 0.00 0.00 0.00 174.94 177.51 1u4f s ASN 251 N 1.34 6.43 -0.16 3.58 3.84 -1.26 -4.21 114.94 124.50 1u4f s ASN 251 Ca -0.02 2.19 0.15 0.00 0.21 0.00 0.00 52.86 55.39 1u4f s ASN 251 Cb -0.19 -2.53 0.43 0.00 -0.55 0.00 0.00 41.25 38.41 1u4f s ASN 251 CO -0.00 -1.13 1.20 1.33 -2.79 0.00 0.00 177.10 175.71 1u4f n VAL 252 N 5.91 1.61 0.00 -5.21 0.24 -1.26 -4.33 118.33 115.29 1u4f n VAL 252 Ca 0.19 -2.67 0.00 0.00 -2.04 0.00 0.00 64.34 59.82 1u4f n VAL 252 Cb 0.43 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 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 -0.66 0.81 0.28 7.63 0.00 -1.26 -3.85 105.19 108.14 1u4f n GLY 253 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 0.39 -0.25 1.61 3.57 -1.91 0.29 116.94 120.64 1u4f h PHE 254 Ca 0.00 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1u4f h PHE 254 Cb 0.00 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1u4f h PHE 254 CO 0.00 -0.03 0.17 -0.44 -2.23 0.00 0.00 178.31 175.78 1u4f h ASP 255 N 0.34 0.16 -0.00 0.41 3.32 -2.01 -2.27 116.42 116.37 1u4f h ASP 255 Ca 0.43 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1u4f h ASP 255 Cb 0.71 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1u4f h ASP 255 CO -0.47 0.11 -0.55 -1.54 -1.72 0.00 0.00 179.24 175.07 1u4f n SER 256 N -4.49 0.97 0.00 6.45 3.41 -0.79 -4.98 113.62 114.19 1u4f n SER 256 Ca 0.02 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1u4f n SER 256 Cb 0.19 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 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 1.26 0.76 0.09 5.00 0.00 0.91 -4.91 105.19 108.29 1u4f n GLY 257 Ca 0.04 0.00 0.00 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 -2.14 0.01 0.87 -0.61 -5.35 -0.52 -2.13 119.36 109.49 1u4f n ILE 258 Ca 0.00 -0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 1u4f n ILE 258 Cb 0.00 -0.08 0.51 0.00 -1.74 0.00 0.00 39.64 38.33 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 -0.41 0.31 -4.69 7.28 5.75 -1.19 -4.68 116.55 118.93 1u4f n ASP 259 Ca 0.00 0.45 -0.39 0.00 -0.01 0.00 0.00 54.79 54.85 1u4f n ASP 259 Cb 0.04 -0.51 -0.06 0.00 -1.03 0.00 0.00 41.12 39.56 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 -3.04 4.27 0.24 0.11 0.52 -0.90 -1.03 118.95 119.12 1u4f s ARG 260 Ca 0.12 0.51 0.11 0.00 -0.52 0.00 0.00 55.73 55.96 1u4f s ARG 260 Cb 0.17 -3.51 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 1u4f s ARG 260 CO 0.57 -0.04 -0.21 0.96 0.02 0.00 0.00 175.30 176.59 1u4f s ILE 261 N 1.27 2.37 -0.42 1.52 -4.36 -0.56 -4.96 121.20 116.06 1u4f s ILE 261 Ca 0.27 -2.24 -0.03 0.00 -0.26 0.00 0.00 60.65 58.38 1u4f s ILE 261 Cb -0.16 -2.20 0.11 0.00 1.25 0.00 0.00 42.46 41.46 1u4f s ILE 261 CO 0.11 -0.30 0.22 0.12 0.24 0.00 0.00 174.94 175.33 1u4f s PHE 262 N -2.20 3.57 -0.41 1.37 5.36 -1.26 -4.20 117.98 120.20 1u4f s PHE 262 Ca 0.26 -2.38 -0.15 0.00 -0.96 0.00 0.00 56.93 53.69 1u4f s PHE 262 Cb -0.06 -3.25 0.02 0.00 -0.34 0.00 0.00 43.02 39.39 1u4f s PHE 262 CO 0.12 -0.97 0.32 -1.17 -1.46 0.00 0.00 175.22 172.07 1u4f s LEU 263 N 1.13 5.08 0.09 6.12 0.20 -1.26 -4.80 118.68 125.24 1u4f s LEU 263 Ca 0.08 -0.87 0.00 0.00 0.69 0.00 0.00 54.13 54.03 1u4f s LEU 263 Cb -0.23 -2.20 0.00 0.00 -0.43 0.00 0.00 46.19 43.33 1u4f s LEU 263 CO -0.04 -0.48 0.00 0.52 -0.29 0.00 0.00 176.35 176.07 1u4f n VAL 264 N 5.21 0.60 -3.99 1.68 0.31 -1.26 -4.63 118.33 116.25 1u4f n VAL 264 Ca -0.10 0.20 -0.28 0.00 -0.01 0.00 0.00 64.34 64.15 1u4f n VAL 264 Cb 0.47 -1.34 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 1u4f n VAL 264 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1u4f s SER 265 N -5.49 6.05 0.13 4.52 0.15 -1.26 -4.76 113.70 113.03 1u4f s SER 265 Ca 0.00 0.10 -0.35 0.00 0.70 0.00 0.00 55.95 56.40 1u4f s SER 265 Cb 0.00 -1.76 -0.16 0.00 -1.71 0.00 0.00 66.02 62.40 1u4f s SER 265 CO 0.00 0.10 1.32 -2.65 1.20 0.00 0.00 173.24 173.21 1u4f n PRO 266 N -0.19 1.32 -4.33 5.44 -0.02 -1.26 -4.92 135.00 131.04 1u4f n PRO 266 Ca -0.07 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.56 1u4f n PRO 266 Cb 0.53 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.30 3.94 -0.28 4.25 -1.09 -0.27 -4.94 121.20 123.11 1u4f s ILE 267 Ca 0.79 -0.71 -0.11 0.00 -2.23 0.00 0.00 60.65 58.39 1u4f s ILE 267 Cb -0.87 -2.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.20 1u4f s ILE 267 CO 0.47 0.35 0.20 -0.89 -1.23 0.00 0.00 174.94 173.85 1u4f s THR 268 N -1.08 5.30 -0.09 2.92 2.01 -1.26 -1.18 115.64 122.26 1u4f s THR 268 Ca 0.19 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 1u4f s THR 268 Cb -0.11 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1u4f s THR 268 CO 0.10 0.24 0.68 -0.63 -0.69 0.00 0.00 174.62 174.31 1u4f s ILE 269 N 1.78 5.05 -0.09 1.82 1.01 0.16 -4.92 121.20 126.02 1u4f s ILE 269 Ca 0.08 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.13 1u4f s ILE 269 Cb -0.16 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1u4f s ILE 269 CO 0.11 0.23 -0.15 -0.69 0.00 0.00 0.00 174.94 174.44 1u4f s VAL 270 N 0.98 2.90 -0.21 2.92 1.01 -1.26 -1.77 120.40 124.98 1u4f s VAL 270 Ca 0.35 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1u4f s VAL 270 Cb -0.17 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.09 1u4f s VAL 270 CO 0.16 0.56 -0.12 -2.28 0.00 0.00 0.00 175.10 173.42 1u4f s HIS 271 N -0.16 2.62 -0.08 5.22 5.04 -0.11 -4.62 115.29 123.20 1u4f s HIS 271 Ca -0.01 -1.73 -0.30 0.00 -1.54 0.00 0.00 55.06 51.48 1u4f s HIS 271 Cb -0.14 -1.73 -0.03 0.00 0.04 0.00 0.00 32.58 30.72 1u4f s HIS 271 CO 0.03 -0.78 1.22 -1.21 -2.34 0.00 0.00 174.74 171.67 1u4f s GLU 272 N 1.33 4.32 -1.33 2.88 2.02 -1.26 -1.22 118.70 125.44 1u4f s GLU 272 Ca -0.02 1.67 -0.16 0.00 0.02 0.00 0.00 54.97 56.49 1u4f s GLU 272 Cb -0.16 -3.61 0.08 0.00 0.10 0.00 0.00 34.13 30.54 1u4f s GLU 272 CO -0.08 -0.51 1.82 -0.89 0.02 0.00 0.00 175.26 175.62 1u4f n ILE 273 N 4.81 3.89 -2.71 -1.63 2.08 -0.65 -4.76 119.36 120.40 1u4f n ILE 273 Ca 0.12 -3.95 -0.03 0.00 0.56 0.00 0.00 62.75 59.45 1u4f n ILE 273 Cb 0.46 -2.43 0.01 0.00 -0.75 0.00 0.00 39.64 36.93 1u4f n ILE 273 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1u4f n ASP 274 N 7.23 0.28 0.00 4.38 5.68 -1.26 -4.82 116.55 128.04 1u4f n ASP 274 Ca 0.48 -1.21 0.22 0.00 -0.50 0.00 0.00 54.79 53.78 1u4f n ASP 274 Cb 0.43 -0.08 0.72 0.00 -1.14 0.00 0.00 41.12 41.06 1u4f n ASP 274 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1u4f h GLU 275 N 0.00 0.00 -0.00 0.11 4.11 -1.96 0.14 114.58 116.97 1u4f h GLU 275 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1u4f h GLU 275 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1u4f h GLU 275 CO 0.06 0.00 -0.32 -0.25 0.07 0.00 0.00 179.01 178.56 1u4f n ASP 276 N -4.04 0.59 -4.75 3.06 8.00 -1.26 -4.89 116.55 113.25 1u4f n ASP 276 Ca 0.11 -0.39 -0.41 0.00 0.71 0.00 0.00 54.79 54.81 1u4f n ASP 276 Cb 0.69 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.78 7.30 0.00 -2.24 0.15 0.47 -4.90 113.70 111.70 1u4f s SER 277 Ca 0.18 2.17 0.15 0.00 0.70 0.00 0.00 55.95 59.15 1u4f s SER 277 Cb 0.19 -2.62 0.81 0.00 -1.71 0.00 0.00 66.02 62.69 1u4f s SER 277 CO 0.60 -0.15 1.41 -0.81 1.20 0.00 0.00 173.24 175.49 1u4f n PRO 278 N 1.68 0.28 -0.06 5.44 -0.04 -1.26 -1.61 135.00 139.42 1u4f n PRO 278 Ca 0.00 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1u4f n PRO 278 Cb 0.45 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.22 2.41 -0.34 1.53 4.77 -1.26 -4.67 117.00 118.21 1u4f n LEU 279 Ca 0.08 -1.29 0.31 0.00 -0.03 0.00 0.00 56.01 55.08 1u4f n LEU 279 Cb 0.11 -0.08 0.64 0.00 -2.33 0.00 0.00 43.42 41.76 1u4f n LEU 279 CO 0.11 0.50 1.28 0.22 -1.33 0.00 0.00 177.39 178.17 1u4f h TYR 280 N 2.58 0.32 -0.51 -1.77 3.20 -1.53 -0.37 116.97 118.89 1u4f h TYR 280 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1u4f h TYR 280 Cb 0.62 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1u4f h TYR 280 CO 0.08 0.00 0.00 -0.25 -1.64 0.00 0.00 178.16 176.35 1u4f n ASP 281 N -4.41 4.35 -4.71 -2.11 8.00 -1.26 -1.32 116.55 115.09 1u4f n ASP 281 Ca 0.27 -2.52 -0.35 0.00 0.71 0.00 0.00 54.79 52.90 1u4f n ASP 281 Cb 1.13 -0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 41.63 1u4f n ASP 281 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1u4f s LEU 282 N -1.97 4.12 0.54 0.64 1.43 -0.15 -4.86 118.68 118.43 1u4f s LEU 282 Ca 0.45 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1u4f s LEU 282 Cb 0.30 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.51 1u4f s LEU 282 CO 0.19 0.18 0.53 -0.94 0.23 0.00 0.00 176.35 176.54 1u4f s SER 283 N 0.37 4.83 0.22 2.29 1.04 -1.26 -4.12 113.70 117.06 1u4f s SER 283 Ca 0.07 -1.06 -0.08 0.00 0.48 0.00 0.00 55.95 55.35 1u4f s SER 283 Cb -0.11 0.28 0.26 0.00 0.10 0.00 0.00 66.02 66.55 1u4f s SER 283 CO -0.01 -1.14 1.83 0.50 0.98 0.00 0.00 173.24 175.40 1u4f h LYS 284 N 0.59 0.79 -0.52 4.02 3.64 -1.79 -0.77 116.57 122.53 1u4f h LYS 284 Ca -0.35 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1u4f h LYS 284 Cb 1.29 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1u4f h LYS 284 CO 0.52 0.52 0.20 0.37 -2.27 0.00 0.00 179.45 178.79 1u4f h GLN 285 N 0.81 0.77 -0.47 1.90 4.15 -1.96 -2.54 115.11 117.79 1u4f h GLN 285 Ca 0.32 -0.14 0.01 0.00 0.77 0.00 0.00 58.65 59.61 1u4f h GLN 285 Cb 0.15 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1u4f h GLN 285 CO -0.17 0.69 0.30 -0.44 -1.93 0.00 0.00 178.83 177.28 1u4f h ASP 286 N 0.69 0.52 -0.02 -0.69 3.32 -1.76 -1.88 116.42 116.60 1u4f h ASP 286 Ca 0.17 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1u4f h ASP 286 Cb 0.20 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1u4f h ASP 286 CO -0.01 0.38 0.02 0.40 -1.72 0.00 0.00 179.24 178.30 1u4f h ILE 287 N 0.62 0.69 -0.44 0.35 1.08 -0.93 0.03 117.51 118.90 1u4f h ILE 287 Ca 0.17 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.58 1u4f h ILE 287 Cb -0.06 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 1u4f h ILE 287 CO -0.04 0.00 0.02 0.44 -0.69 0.00 0.00 178.15 177.88 1u4f h ASP 288 N 0.00 0.74 -0.12 1.72 3.32 -0.92 -3.04 116.42 118.12 1u4f h ASP 288 Ca 0.01 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1u4f h ASP 288 Cb 0.05 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1u4f h ASP 288 CO -0.00 0.85 0.00 0.59 -1.72 0.00 0.00 179.24 178.96 1u4f n ASN 289 N -4.42 2.65 -4.59 6.45 3.02 -0.89 -4.93 115.26 112.55 1u4f n ASN 289 Ca -0.00 -1.86 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 1u4f n ASN 289 Cb 0.28 -0.07 0.16 0.00 -0.61 0.00 0.00 39.78 39.54 1u4f n ASN 289 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u4f n ALA 290 N 1.03 -1.41 -3.08 5.41 0.00 -0.06 -5.00 120.51 117.41 1u4f n ALA 290 Ca 0.16 -0.59 -0.17 0.00 0.00 0.00 0.00 53.44 52.84 1u4f n ALA 290 Cb 0.52 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 1u4f n ALA 290 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u4f n ASP 291 N -3.40 -0.12 -4.11 0.00 4.64 -1.26 -4.88 116.55 107.43 1u4f n ASP 291 Ca 0.10 -3.10 -0.19 0.00 -1.38 0.00 0.00 54.79 50.22 1u4f n ASP 291 Cb 0.53 0.01 -0.09 0.00 -1.04 0.00 0.00 41.12 40.52 1u4f n ASP 291 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1u4f s PHE 292 N -1.50 1.61 -0.02 -0.67 -0.12 -1.26 -4.94 117.98 111.07 1u4f s PHE 292 Ca 0.35 -1.30 0.01 0.00 -0.05 0.00 0.00 56.93 55.95 1u4f s PHE 292 Cb 0.30 -0.90 0.01 0.00 -0.63 0.00 0.00 43.02 41.80 1u4f s PHE 292 CO -0.09 -0.43 -0.03 -2.00 -0.05 0.00 0.00 175.22 172.61 1u4f s GLU 293 N -3.88 0.47 -0.24 1.99 2.12 -1.08 -2.51 118.70 115.58 1u4f s GLU 293 Ca 0.35 -0.09 -0.06 0.00 0.36 0.00 0.00 54.97 55.54 1u4f s GLU 293 Cb 0.06 -0.52 -0.02 0.00 0.26 0.00 0.00 34.13 33.91 1u4f s GLU 293 CO 0.16 -0.01 0.03 0.42 -0.54 0.00 0.00 175.26 175.32 1u4f s ILE 294 N 0.46 3.95 -0.19 -3.70 -1.09 0.20 0.55 121.20 121.39 1u4f s ILE 294 Ca -0.05 -0.30 -0.10 0.00 -2.23 0.00 0.00 60.65 57.97 1u4f s ILE 294 Cb -0.08 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 37.92 1u4f s ILE 294 CO -0.00 0.37 0.15 -0.69 -1.23 0.00 0.00 174.94 173.54 1u4f s VAL 295 N 1.54 5.40 -0.05 2.92 1.01 0.79 0.17 120.40 132.18 1u4f s VAL 295 Ca 0.06 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.33 1u4f s VAL 295 Cb -0.15 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 1u4f s VAL 295 CO 0.01 0.44 -0.19 0.68 0.00 0.00 0.00 175.10 176.05 1u4f s VAL 296 N 0.29 2.64 0.04 2.92 -7.23 -0.47 -0.91 120.40 117.69 1u4f s VAL 296 Ca 0.10 -0.87 0.06 0.00 -1.81 0.00 0.00 61.98 59.46 1u4f s VAL 296 Cb -0.11 -2.01 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1u4f s VAL 296 CO -0.01 0.58 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.56 1u4f s ILE 297 N -0.50 1.37 -0.04 -0.62 -1.09 -0.21 -1.54 121.20 118.57 1u4f s ILE 297 Ca 0.06 -1.10 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 1u4f s ILE 297 Cb -0.11 -1.22 0.02 0.00 -1.58 0.00 0.00 42.46 39.57 1u4f s ILE 297 CO 0.01 0.09 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.56 1u4f s LEU 298 N -1.18 1.25 0.04 2.97 2.96 -0.02 -1.74 118.68 122.96 1u4f s LEU 298 Ca 0.04 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1u4f s LEU 298 Cb -0.08 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 1u4f s LEU 298 CO 0.02 -0.07 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.27 1u4f s GLU 299 N 0.99 0.57 0.00 1.98 2.02 -0.83 -0.23 118.70 123.19 1u4f s GLU 299 Ca -0.10 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.12 1u4f s GLU 299 Cb -0.14 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.71 1u4f s GLU 299 CO -0.01 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.76 1u4f n GLY 300 N 1.49 -0.16 3.41 -1.39 0.00 -0.89 -1.61 105.19 106.04 1u4f n GLY 300 Ca -0.22 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.00 3.56 0.15 1.61 -1.94 0.32 0.24 119.30 121.23 1u4f s MET 301 Ca 0.00 -0.53 -0.31 0.00 -1.71 0.00 0.00 55.69 53.14 1u4f s MET 301 Cb 0.00 -3.25 -0.09 0.00 2.01 0.00 0.00 34.83 33.50 1u4f s MET 301 CO 0.00 -0.21 1.43 0.08 -0.01 0.00 0.00 175.02 176.31 1u4f s VAL 302 N 1.58 3.06 0.29 -6.03 1.01 -1.23 0.34 120.40 119.41 1u4f s VAL 302 Ca 0.06 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 1u4f s VAL 302 Cb -0.15 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.58 1u4f s VAL 302 CO 0.02 0.07 0.92 1.21 0.00 0.00 0.00 175.10 177.32 1u4f n GLU 303 N 3.66 1.12 -1.02 2.72 2.13 -0.08 -2.02 120.64 127.15 1u4f n GLU 303 Ca 0.11 0.39 -0.01 0.00 0.66 0.00 0.00 57.16 58.32 1u4f n GLU 303 Cb 0.41 -1.71 -0.00 0.00 0.27 0.00 0.00 31.44 30.41 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 0.12 -0.01 -2.39 4.31 0.00 -1.26 -4.94 120.51 116.33 1u4f n ALA 304 Ca 0.11 0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1u4f n ALA 304 Cb 0.31 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.51 1.92 -2.05 0.00 -4.23 -0.85 -5.03 115.64 103.89 1u4f s THR 305 Ca 0.00 -2.21 0.21 0.00 -1.18 0.00 0.00 61.69 58.51 1u4f s THR 305 Cb 0.00 -2.07 0.47 0.00 1.34 0.00 0.00 72.50 72.24 1u4f s THR 305 CO 0.00 -0.51 1.41 0.00 -0.54 0.00 0.00 174.62 174.98 1u4f n ALA 306 N -0.32 2.38 -2.76 3.99 0.00 -1.26 -4.76 120.51 117.78 1u4f n ALA 306 Ca -0.08 -1.11 -0.36 0.00 0.00 0.00 0.00 53.44 51.89 1u4f n ALA 306 Cb 0.60 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 1u4f n ALA 306 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1u4f s MET 307 N -1.22 4.01 -0.11 0.00 -1.94 -1.26 -5.07 119.30 113.71 1u4f s MET 307 Ca 0.39 -0.11 -0.18 0.00 -1.71 0.00 0.00 55.69 54.08 1u4f s MET 307 Cb 0.22 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 1u4f s MET 307 CO 0.30 0.42 0.49 0.95 -0.01 0.00 0.00 175.02 177.16 1u4f s THR 308 N -0.01 5.18 0.09 2.05 -4.23 -1.26 -3.57 115.64 113.89 1u4f s THR 308 Ca 0.12 0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 61.60 1u4f s THR 308 Cb -0.12 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.86 1u4f s THR 308 CO 0.01 0.33 0.24 -0.89 -0.54 0.00 0.00 174.62 173.77 1u4f s THR 309 N 0.60 5.35 -0.28 3.99 2.01 0.14 -4.93 115.64 122.52 1u4f s THR 309 Ca 0.26 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 1u4f s THR 309 Cb -0.15 -3.65 0.09 0.00 0.01 0.00 0.00 72.50 68.80 1u4f s THR 309 CO 0.11 0.09 0.07 -1.58 -0.69 0.00 0.00 174.62 172.62 1u4f s GLN 310 N -2.65 0.78 -0.07 4.92 0.74 -1.26 -2.09 119.66 120.03 1u4f s GLN 310 Ca 0.36 -0.94 -0.16 0.00 0.05 0.00 0.00 55.36 54.67 1u4f s GLN 310 Cb -0.13 -2.07 -0.05 0.00 1.10 0.00 0.00 33.01 31.87 1u4f s GLN 310 CO 0.28 -0.89 0.41 0.00 -0.55 0.00 0.00 175.29 174.54 1u4f s ARG 312 N -0.25 1.35 0.20 0.00 0.52 -1.26 -0.84 118.95 118.67 1u4f s ARG 312 Ca 0.23 -1.65 -0.22 0.00 -0.52 0.00 0.00 55.73 53.57 1u4f s ARG 312 Cb -0.15 -0.87 0.07 0.00 0.52 0.00 0.00 34.95 34.52 1u4f s ARG 312 CO 0.11 0.03 1.02 0.45 0.02 0.00 0.00 175.30 176.92 1u4f s SER 313 N -3.32 -0.00 0.05 0.23 0.15 -0.59 -4.97 113.70 105.25 1u4f s SER 313 Ca 0.25 -0.71 -0.20 0.00 0.70 0.00 0.00 55.95 56.00 1u4f s SER 313 Cb 0.03 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 1u4f s SER 313 CO 0.08 -1.05 0.46 -0.94 1.20 0.00 0.00 173.24 172.98 1u4f s SER 314 N -3.37 -0.35 -0.16 5.45 1.04 -1.26 -1.37 113.70 113.68 1u4f s SER 314 Ca 0.21 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.69 1u4f s SER 314 Cb -0.03 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1u4f s SER 314 CO 0.06 -0.70 -0.05 -0.31 0.98 0.00 0.00 173.24 173.21 1u4f s TYR 315 N -2.55 1.66 0.63 5.02 2.02 0.13 -4.96 117.35 119.29 1u4f s TYR 315 Ca -0.05 -1.02 -0.12 0.00 -0.37 0.00 0.00 57.07 55.51 1u4f s TYR 315 Cb -0.01 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.23 1u4f s TYR 315 CO -0.03 -0.60 1.04 -0.51 -1.57 0.00 0.00 175.55 173.88 1u4f s LEU 316 N 1.65 3.25 0.28 -1.29 1.43 -1.26 -0.63 118.68 122.10 1u4f s LEU 316 Ca 0.01 1.50 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 1u4f s LEU 316 Cb -0.15 -4.48 0.65 0.00 0.03 0.00 0.00 46.19 42.24 1u4f s LEU 316 CO -0.08 -1.02 1.69 0.00 0.23 0.00 0.00 176.35 177.17 1u4f h ALA 317 N -0.30 1.28 0.00 4.21 0.00 -1.83 0.34 119.26 122.96 1u4f h ALA 317 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1u4f h ALA 317 Cb 1.20 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1u4f h ALA 317 CO 0.60 -0.34 0.00 0.27 0.00 0.00 0.00 179.25 179.78 1u4f n ASN 318 N -5.08 0.00 -0.69 0.00 6.94 -1.26 -2.22 115.26 112.94 1u4f n ASN 318 Ca 0.20 -1.47 0.08 0.00 -0.02 0.00 0.00 54.58 53.36 1u4f n ASN 318 Cb 0.59 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.12 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 -0.68 1.64 -3.50 -3.83 1.02 0.12 -4.88 120.64 110.52 1u4f n GLU 319 Ca 0.08 -1.67 -0.42 0.00 -0.02 0.00 0.00 57.16 55.13 1u4f n GLU 319 Cb 0.04 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.19 5.05 -0.62 -3.67 1.01 -0.94 -2.04 121.20 118.79 1u4f s ILE 320 Ca 0.22 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 59.89 1u4f s ILE 320 Cb 0.14 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.83 1u4f s ILE 320 CO 0.20 -0.29 1.10 -0.76 0.00 0.00 0.00 174.94 175.19 1u4f s LEU 321 N 1.64 3.73 0.09 2.97 1.43 0.54 -4.91 118.68 124.17 1u4f s LEU 321 Ca 0.04 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.48 1u4f s LEU 321 Cb -0.19 -2.79 -0.07 0.00 0.03 0.00 0.00 46.19 43.18 1u4f s LEU 321 CO 0.09 -1.49 1.25 0.86 0.23 0.00 0.00 176.35 177.29 1u4f s TRP 322 N 4.70 3.38 -0.14 0.29 -0.11 -1.26 -2.51 118.94 123.30 1u4f s TRP 322 Ca 0.34 1.23 -0.01 0.00 1.22 0.00 0.00 56.10 58.88 1u4f s TRP 322 Cb -0.11 -3.49 0.00 0.00 -1.50 0.00 0.00 33.47 28.37 1u4f s TRP 322 CO 0.18 -1.56 0.10 0.41 -4.62 0.00 0.00 176.95 171.47 1u4f n GLY 323 N 3.13 0.75 3.22 5.86 0.00 0.12 -4.92 105.19 113.36 1u4f n GLY 323 Ca 0.09 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.92 1.13 0.10 1.61 3.76 -1.23 -0.63 115.29 117.12 1u4f s HIS 324 Ca 0.05 -0.80 0.02 0.00 -0.15 0.00 0.00 55.06 54.18 1u4f s HIS 324 Cb -0.02 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 1u4f s HIS 324 CO 0.06 0.00 -0.07 1.03 -0.85 0.00 0.00 174.74 174.91 1u4f s ARG 325 N -3.71 0.85 0.20 1.40 0.52 -0.84 -4.41 118.95 112.96 1u4f s ARG 325 Ca 0.14 -1.32 -0.20 0.00 -0.52 0.00 0.00 55.73 53.84 1u4f s ARG 325 Cb 0.03 -0.28 -0.08 0.00 0.52 0.00 0.00 34.95 35.14 1u4f s ARG 325 CO -0.01 0.00 0.71 0.71 0.02 0.00 0.00 175.30 176.73 1u4f s TYR 326 N -3.43 3.68 0.13 -0.53 1.51 -1.26 -1.17 117.35 116.27 1u4f s TYR 326 Ca 0.11 1.39 -0.30 0.00 -1.01 0.00 0.00 57.07 57.26 1u4f s TYR 326 Cb 0.04 -2.61 -0.07 0.00 -0.11 0.00 0.00 41.96 39.21 1u4f s TYR 326 CO -0.04 0.37 1.11 -1.21 -1.11 0.00 0.00 175.55 174.67 1u4f s GLU 327 N -1.84 4.55 0.52 -0.62 2.02 -0.37 -4.90 118.70 118.06 1u4f s GLU 327 Ca 0.41 1.69 -0.22 0.00 0.02 0.00 0.00 54.97 56.87 1u4f s GLU 327 Cb -0.17 -3.32 -0.07 0.00 0.10 0.00 0.00 34.13 30.67 1u4f s GLU 327 CO 0.21 -0.02 1.16 -2.30 0.02 0.00 0.00 175.26 174.34 1u4f n PRO 328 N 2.95 1.42 0.00 0.39 -0.02 -1.26 -4.80 135.00 133.69 1u4f n PRO 328 Ca 0.05 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1u4f n PRO 328 Cb 0.47 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.02 0.00 -3.49 -1.45 0.24 -1.26 -4.90 118.33 106.44 1u4f n VAL 329 Ca 0.11 -0.33 -0.40 0.00 -2.04 0.00 0.00 64.34 61.67 1u4f n VAL 329 Cb 0.44 0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 33.64 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 -1.56 4.49 -0.09 1.34 2.96 -1.26 -0.40 118.68 124.17 1u4f s LEU 330 Ca 0.00 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1u4f s LEU 330 Cb 0.00 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 1u4f s LEU 330 CO 0.00 -0.26 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.19 1u4f s PHE 331 N 1.81 2.58 -0.31 5.38 0.08 -0.01 -5.00 117.98 122.51 1u4f s PHE 331 Ca 0.08 -0.81 -0.23 0.00 0.12 0.00 0.00 56.93 56.09 1u4f s PHE 331 Cb -0.17 -1.70 -0.00 0.00 -0.57 0.00 0.00 43.02 40.58 1u4f s PHE 331 CO 0.11 -0.28 0.76 -2.00 -0.10 0.00 0.00 175.22 173.71 1u4f s GLU 332 N 0.12 3.92 0.00 0.44 2.12 -1.26 -1.28 118.70 122.76 1u4f s GLU 332 Ca -0.11 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1u4f s GLU 332 Cb -0.16 -3.74 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1u4f s GLU 332 CO 0.06 -0.68 0.00 0.39 -0.54 0.00 0.00 175.26 174.49 1u4f n GLU 333 N 6.17 3.86 -2.84 4.30 1.02 -0.38 -5.00 120.64 127.78 1u4f n GLU 333 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1u4f n GLU 333 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.86 1u4f n GLU 333 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1u4f s LYS 334 N 3.68 4.11 -0.23 3.49 2.20 -1.26 -4.10 119.74 127.62 1u4f s LYS 334 Ca 0.00 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1u4f s LYS 334 Cb 0.00 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1u4f s LYS 334 CO 0.00 -0.64 0.00 -2.39 -0.36 0.00 0.00 175.35 171.96 1u4f n HIS 335 N 6.23 -0.83 -3.76 4.03 1.44 -1.26 -4.80 115.22 116.27 1u4f n HIS 335 Ca 0.07 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.68 1u4f n HIS 335 Cb 0.47 -1.24 -0.04 0.00 0.12 0.00 0.00 29.99 29.30 1u4f n HIS 335 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1u4f s TYR 336 N -1.13 -0.06 -0.00 -1.40 6.14 -1.26 -2.61 117.35 117.03 1u4f s TYR 336 Ca 0.00 -0.28 0.08 0.00 0.64 0.00 0.00 57.07 57.51 1u4f s TYR 336 Cb 0.00 0.34 -0.02 0.00 0.42 0.00 0.00 41.96 42.70 1u4f s TYR 336 CO 0.00 -0.89 -0.25 0.71 0.64 0.00 0.00 175.55 175.76 1u4f s TYR 337 N -3.88 2.23 0.03 4.97 1.51 0.70 -1.24 117.35 121.66 1u4f s TYR 337 Ca 0.10 -0.42 0.08 0.00 -1.01 0.00 0.00 57.07 55.82 1u4f s TYR 337 Cb -0.00 -1.41 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 1u4f s TYR 337 CO -0.03 0.01 -0.23 -1.59 -1.11 0.00 0.00 175.55 172.60 1u4f s LYS 338 N -0.76 1.64 -0.20 -0.62 -2.85 -0.40 0.40 119.74 116.93 1u4f s LYS 338 Ca 0.10 -0.97 -0.02 0.00 -1.00 0.00 0.00 55.97 54.08 1u4f s LYS 338 Cb -0.10 -1.73 0.00 0.00 -2.06 0.00 0.00 37.83 33.95 1u4f s LYS 338 CO -0.00 0.45 -0.10 0.08 0.10 0.00 0.00 175.35 175.88 1u4f s VAL 339 N -0.74 2.89 -0.57 1.79 1.01 0.68 -0.83 120.40 124.63 1u4f s VAL 339 Ca 0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1u4f s VAL 339 Cb -0.09 -2.28 0.14 0.00 0.00 0.00 0.00 36.38 34.15 1u4f s VAL 339 CO 0.01 0.47 0.49 -0.62 0.00 0.00 0.00 175.10 175.45 1u4f s ASP 340 N 1.39 6.07 0.00 3.32 2.15 0.47 -1.74 116.67 128.33 1u4f s ASP 340 Ca 0.05 -2.04 0.08 0.00 0.43 0.00 0.00 52.55 51.08 1u4f s ASP 340 Cb -0.14 -2.13 0.41 0.00 -0.30 0.00 0.00 42.92 40.77 1u4f s ASP 340 CO -0.07 -0.73 1.17 -1.22 -0.17 0.00 0.00 175.17 174.15 1u4f n TYR 341 N 4.83 0.00 0.77 -5.34 4.02 -1.10 -2.17 117.16 118.17 1u4f n TYR 341 Ca -0.06 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.93 1u4f n TYR 341 Cb 0.41 -0.34 0.47 0.00 -0.02 0.00 0.00 39.34 39.87 1u4f n TYR 341 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u4f n SER 342 N -1.34 0.00 -0.66 7.72 3.41 -1.26 -2.37 113.62 119.12 1u4f n SER 342 Ca 0.04 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1u4f n SER 342 Cb 0.07 -0.48 0.10 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.48 1.59 -0.05 4.33 1.74 -0.92 -4.72 116.66 117.14 1u4f n ARG 343 Ca 0.06 -1.63 -0.10 0.00 -0.77 0.00 0.00 57.85 55.41 1u4f n ARG 343 Cb 0.25 -1.30 -0.03 0.00 -1.02 0.00 0.00 32.46 30.35 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 2.79 -0.93 0.00 -1.55 3.57 -1.62 -2.54 116.94 116.67 1u4f h PHE 344 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1u4f h PHE 344 Cb 0.67 0.44 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1u4f h PHE 344 CO 0.09 -0.40 -0.20 0.72 -2.23 0.00 0.00 178.31 176.30 1u4f n HIS 345 N -5.41 0.09 -2.12 0.41 8.25 -1.26 -4.86 115.22 110.31 1u4f n HIS 345 Ca -0.02 0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1u4f n HIS 345 Cb 0.33 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 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 -3.01 4.35 0.16 -0.41 -0.14 -0.96 -4.78 119.74 114.96 1u4f s LYS 346 Ca 0.12 2.19 -0.00 0.00 -1.36 0.00 0.00 55.97 56.93 1u4f s LYS 346 Cb 0.18 -3.10 -0.04 0.00 -1.68 0.00 0.00 37.83 33.18 1u4f s LYS 346 CO 0.60 -0.24 0.05 0.95 -0.76 0.00 0.00 175.35 175.96 1u4f s THR 347 N -0.68 0.28 -0.04 2.17 -4.23 -1.26 -1.24 115.64 110.65 1u4f s THR 347 Ca 0.52 -1.95 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1u4f s THR 347 Cb -0.39 -2.17 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1u4f s THR 347 CO 0.48 -0.38 0.14 -0.72 -0.54 0.00 0.00 174.62 173.60 1u4f s TYR 348 N -3.93 -0.09 0.44 3.99 -0.85 -0.32 -4.89 117.35 111.71 1u4f s TYR 348 Ca 0.27 0.21 -0.24 0.00 -0.52 0.00 0.00 57.07 56.79 1u4f s TYR 348 Cb 0.07 0.02 -0.08 0.00 0.38 0.00 0.00 41.96 42.35 1u4f s TYR 348 CO 0.05 -0.14 1.22 -1.21 -1.52 0.00 0.00 175.55 173.94 1u4f s GLU 349 N -0.41 3.82 -0.49 -3.49 2.02 -1.26 -1.99 118.70 116.89 1u4f s GLU 349 Ca -0.05 1.93 0.03 0.00 0.02 0.00 0.00 54.97 56.90 1u4f s GLU 349 Cb -0.03 -2.54 0.14 0.00 0.10 0.00 0.00 34.13 31.79 1u4f s GLU 349 CO 0.01 -0.55 0.28 0.08 0.02 0.00 0.00 175.26 175.10 1u4f s VAL 350 N -1.42 1.75 0.27 2.63 1.01 0.20 -4.93 120.40 119.91 1u4f s VAL 350 Ca 0.61 -2.92 -0.04 0.00 0.00 0.00 0.00 61.98 59.63 1u4f s VAL 350 Cb -0.33 -2.21 0.32 0.00 0.00 0.00 0.00 36.38 34.16 1u4f s VAL 350 CO 0.40 -0.91 1.62 -0.65 0.00 0.00 0.00 175.10 175.56 1u4f h PRO 351 N 6.46 0.09 0.00 2.72 0.11 -1.95 -0.58 132.00 138.84 1u4f h PRO 351 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1u4f h PRO 351 Cb 0.90 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1u4f h PRO 351 CO 0.55 0.06 0.30 -0.97 -0.21 0.00 0.00 178.00 177.73 1u4f h ASN 352 N 0.09 0.00 -2.27 -2.05 -0.00 -1.96 -3.43 115.58 105.96 1u4f h ASN 352 Ca 0.48 0.00 -0.57 0.00 -0.00 0.00 0.00 56.30 56.21 1u4f h ASN 352 Cb 0.90 0.00 0.04 0.00 -0.00 0.00 0.00 38.32 39.26 1u4f h ASN 352 CO -0.74 0.00 1.02 0.41 -0.00 0.00 0.00 177.43 178.12 1u4f n THR 353 N -2.35 0.34 -1.59 -3.57 -1.04 -0.23 -4.93 114.28 100.91 1u4f n THR 353 Ca -0.01 -0.06 -0.37 0.00 -2.04 0.00 0.00 64.05 61.56 1u4f n THR 353 Cb 0.33 -1.87 0.06 0.00 -1.82 0.00 0.00 70.33 67.03 1u4f n THR 353 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1u4f n PRO 354 N 5.36 0.83 0.00 -2.82 -0.02 -1.26 -4.94 135.00 132.14 1u4f n PRO 354 Ca 0.19 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1u4f n PRO 354 Cb 0.32 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 1u4f n PRO 354 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1u4f n LEU 355 N -0.96 1.66 -4.95 2.45 4.77 -1.26 -4.93 117.00 113.77 1u4f n LEU 355 Ca 0.14 -0.85 -0.23 0.00 -0.03 0.00 0.00 56.01 55.04 1u4f n LEU 355 Cb 0.48 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1u4f n LEU 355 CO 0.49 0.32 0.38 0.00 -1.33 0.00 0.00 177.39 177.25 1u4f s SER 357 N -4.35 3.28 0.47 0.00 1.04 -1.26 -4.67 113.70 108.20 1u4f s SER 357 Ca 0.54 1.47 0.12 0.00 0.48 0.00 0.00 55.95 58.57 1u4f s SER 357 Cb -0.10 -2.15 1.07 0.00 0.10 0.00 0.00 66.02 64.94 1u4f s SER 357 CO 0.40 -2.76 2.08 0.00 0.98 0.00 0.00 173.24 173.94 1u4f h ALA 358 N -1.63 1.83 -0.46 5.32 0.00 -1.70 -1.99 119.26 120.64 1u4f h ALA 358 Ca -0.50 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1u4f h ALA 358 Cb 1.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1u4f h ALA 358 CO 0.54 0.14 0.02 -0.09 0.00 0.00 0.00 179.25 179.87 1u4f h ARG 359 N 0.19 0.79 -0.51 0.00 2.43 -1.54 -2.16 114.38 113.59 1u4f h ARG 359 Ca 0.05 -0.24 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1u4f h ARG 359 Cb 0.05 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1u4f h ARG 359 CO -0.01 0.84 0.13 -0.44 -1.51 0.00 0.00 179.97 178.99 1u4f h ASP 360 N 0.65 0.72 0.74 -3.80 3.45 -1.67 -1.33 116.42 115.17 1u4f h ASP 360 Ca 0.13 -0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.43 1u4f h ASP 360 Cb 0.47 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1u4f h ASP 360 CO 0.02 0.70 -0.19 -0.07 -1.57 0.00 0.00 179.24 178.13 1u4f h LEU 361 N 0.75 0.00 0.09 1.55 3.38 -1.23 0.16 115.31 120.00 1u4f h LEU 361 Ca 0.17 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.86 1u4f h LEU 361 Cb 0.26 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1u4f h LEU 361 CO -0.00 0.19 -1.22 0.00 0.09 0.00 0.00 178.44 177.49 1u4f h ALA 362 N 1.81 0.10 0.06 1.53 0.00 -0.61 -3.33 119.26 118.83 1u4f h ALA 362 Ca -0.00 -0.83 -0.28 0.00 0.00 0.00 0.00 54.91 53.80 1u4f h ALA 362 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1u4f h ALA 362 CO 0.02 0.87 -1.40 0.93 0.00 0.00 0.00 179.25 179.67 1u4f h GLU 363 N 0.14 0.13 -0.91 0.00 5.08 -1.19 -3.31 114.58 114.52 1u4f h GLU 363 Ca -0.15 -0.23 0.24 0.00 -1.00 0.00 0.00 59.36 58.23 1u4f h GLU 363 Cb 1.92 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 31.20 1u4f h GLU 363 CO 0.21 0.97 0.63 -0.22 -1.00 0.00 0.00 179.01 179.60 1u4f h LYS 364 N 0.04 0.16 -0.00 2.33 3.64 -0.79 -3.51 116.57 118.43 1u4f h LYS 364 Ca -0.18 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1u4f h LYS 364 Cb 1.94 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1u4f h LYS 364 CO 0.14 0.10 0.00 1.63 -2.27 0.00 0.00 179.45 179.05