#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw1 n GLY -3 N 0.00 -0.06 2.96 3.38 0.00 -1.26 -4.65 105.19 105.56 3hw1 n GLY -3 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3hw1 n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw1 s SER -2 N -3.55 4.42 -1.26 1.61 0.15 -1.26 -1.54 113.70 112.27 3hw1 s SER -2 Ca 0.20 -2.78 -0.07 0.00 0.70 0.00 0.00 55.95 54.00 3hw1 s SER -2 Cb -0.09 -1.63 0.17 0.00 -1.71 0.00 0.00 66.02 62.77 3hw1 s SER -2 CO 0.48 -0.27 2.00 0.49 1.20 0.00 0.00 173.24 177.14 3hw1 n PHE -1 N 3.41 2.72 0.28 3.44 3.01 -1.26 -4.84 117.46 124.23 3hw1 n PHE -1 Ca 0.05 -2.76 0.17 0.00 1.01 0.00 0.00 57.45 55.92 3hw1 n PHE -1 Cb 0.35 -1.79 0.79 0.00 -0.01 0.00 0.00 39.48 38.81 3hw1 n PHE -1 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 3hw1 h VAL 0 N 3.25 0.17 0.00 -4.37 -1.51 -1.95 -1.38 116.25 110.46 3hw1 h VAL 0 Ca 0.48 -0.47 -0.04 0.00 -1.23 0.00 0.00 66.70 65.44 3hw1 h VAL 0 Cb 0.50 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 3hw1 h VAL 0 CO 1.53 0.05 -0.18 -0.33 -1.23 0.00 0.00 177.57 177.40 3hw1 h GLU 1 N 0.00 0.00 0.00 5.19 3.07 -1.93 -3.32 114.58 117.59 3hw1 h GLU 1 Ca -0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 3hw1 h GLU 1 Cb 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 3hw1 h GLU 1 CO 0.01 0.18 -1.77 -1.33 -1.40 0.00 0.00 179.01 174.70 3hw1 n MET 2 N -3.29 0.53 -1.66 2.33 2.81 -0.57 -4.60 117.12 112.67 3hw1 n MET 2 Ca 0.01 -0.15 -0.47 0.00 -1.81 0.00 0.00 57.70 55.28 3hw1 n MET 2 Cb 0.44 -1.40 -0.04 0.00 -0.71 0.00 0.00 33.22 31.51 3hw1 n MET 2 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3hw1 n VAL 3 N -2.09 0.18 -3.24 2.03 0.31 -0.92 -2.72 118.33 111.87 3hw1 n VAL 3 Ca -0.04 -0.05 -0.16 0.00 -0.01 0.00 0.00 64.34 64.09 3hw1 n VAL 3 Cb 0.45 -1.42 0.06 0.00 -0.91 0.00 0.00 33.84 32.01 3hw1 n VAL 3 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hw1 n ASP 4 N 3.06 -4.67 -1.45 4.52 2.03 -1.24 -4.94 116.55 113.85 3hw1 n ASP 4 Ca 0.16 -0.39 0.09 0.00 0.52 0.00 0.00 54.79 55.17 3hw1 n ASP 4 Cb 0.28 -3.73 0.33 0.00 -0.72 0.00 0.00 41.12 37.28 3hw1 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3hw1 n ASN 5 N -1.82 4.62 -4.33 1.67 6.94 -0.82 -4.85 115.26 116.67 3hw1 n ASN 5 Ca -0.02 -2.55 -0.29 0.00 -0.02 0.00 0.00 54.58 51.70 3hw1 n ASN 5 Cb 0.55 -0.56 -0.15 0.00 -2.36 0.00 0.00 39.78 37.27 3hw1 n ASN 5 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3hw1 s LEU 6 N -2.02 2.17 0.17 -4.53 1.43 0.67 -4.44 118.68 112.13 3hw1 s LEU 6 Ca 0.48 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3hw1 s LEU 6 Cb 0.32 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 3hw1 s LEU 6 CO 0.21 0.24 -0.00 -0.13 0.23 0.00 0.00 176.35 176.89 3hw1 s ARG 7 N -1.26 1.10 -0.08 1.70 0.52 -0.78 -1.87 118.95 118.28 3hw1 s ARG 7 Ca 0.11 -1.52 -0.32 0.00 -0.52 0.00 0.00 55.73 53.48 3hw1 s ARG 7 Cb -0.10 -0.28 0.12 0.00 0.52 0.00 0.00 34.95 35.22 3hw1 s ARG 7 CO 0.02 -0.12 1.16 0.20 0.02 0.00 0.00 175.30 176.58 3hw1 s GLY 8 N -3.17 -0.35 -0.07 -3.53 0.00 -1.02 -0.19 107.32 99.00 3hw1 s GLY 8 Ca 0.23 1.10 -0.08 0.00 0.00 0.00 0.00 44.72 45.98 3hw1 s GLY 8 CO 0.04 0.33 0.21 0.54 0.00 0.00 0.00 173.10 174.22 3hw1 s LYS 9 N -2.62 3.54 0.18 2.90 -0.14 -1.26 -0.24 119.74 122.11 3hw1 s LYS 9 Ca 0.10 -0.05 -0.32 0.00 -1.36 0.00 0.00 55.97 54.34 3hw1 s LYS 9 Cb 0.01 -3.16 -0.16 0.00 -1.68 0.00 0.00 37.83 32.83 3hw1 s LYS 9 CO -0.04 0.73 1.11 0.45 -0.76 0.00 0.00 175.35 176.83 3hw1 n SER 10 N 1.69 1.14 0.00 2.83 2.88 -1.26 -1.21 113.62 119.70 3hw1 n SER 10 Ca -0.17 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 3hw1 n SER 10 Cb 0.54 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 3hw1 n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hw1 n GLY 11 N 1.91 2.10 1.09 0.46 0.00 -1.26 -4.83 105.19 104.65 3hw1 n GLY 11 Ca 0.15 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3hw1 n GLY 11 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hw1 n GLN 12 N 0.00 2.43 0.00 1.61 6.02 -0.35 -4.80 117.38 122.30 3hw1 n GLN 12 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 57.00 54.84 3hw1 n GLN 12 Cb 0.00 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.76 3hw1 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hw1 n GLY 13 N 1.47 1.47 3.57 1.08 0.00 -1.24 -4.88 105.19 106.65 3hw1 n GLY 13 Ca 0.19 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 3hw1 n GLY 13 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hw1 s TYR 14 N -2.06 3.13 0.21 1.61 1.51 -1.26 -4.02 117.35 116.47 3hw1 s TYR 14 Ca 0.00 -0.11 0.11 0.00 -1.01 0.00 0.00 57.07 56.06 3hw1 s TYR 14 Cb 0.00 -2.00 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 3hw1 s TYR 14 CO 0.00 0.07 -0.21 1.52 -1.11 0.00 0.00 175.55 175.82 3hw1 s TYR 15 N 0.30 2.14 -0.03 2.71 -0.85 0.73 -1.17 117.35 121.19 3hw1 s TYR 15 Ca -0.00 -0.39 0.06 0.00 -0.52 0.00 0.00 57.07 56.21 3hw1 s TYR 15 Cb -0.13 -1.02 -0.01 0.00 0.38 0.00 0.00 41.96 41.18 3hw1 s TYR 15 CO 0.02 0.51 -0.21 0.54 -1.52 0.00 0.00 175.55 174.89 3hw1 s VAL 16 N -2.07 1.66 0.04 -3.49 0.11 0.65 -1.86 120.40 115.43 3hw1 s VAL 16 Ca 0.22 -0.87 -0.31 0.00 -2.93 0.00 0.00 61.98 58.09 3hw1 s VAL 16 Cb -0.06 -1.39 -0.06 0.00 -1.53 0.00 0.00 36.38 33.34 3hw1 s VAL 16 CO 0.10 0.47 1.31 -0.70 -3.33 0.00 0.00 175.10 172.95 3hw1 s GLU 17 N -0.30 4.35 0.00 1.54 2.12 -1.26 -0.72 118.70 124.43 3hw1 s GLU 17 Ca 0.03 1.89 0.02 0.00 0.36 0.00 0.00 54.97 57.27 3hw1 s GLU 17 Cb -0.10 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 3hw1 s GLU 17 CO 0.01 -0.42 -0.06 -1.64 -0.54 0.00 0.00 175.26 172.60 3hw1 s MET 18 N 1.63 0.50 0.02 4.30 -1.94 0.90 -4.14 119.30 120.57 3hw1 s MET 18 Ca 0.61 -0.30 -0.06 0.00 -1.71 0.00 0.00 55.69 54.22 3hw1 s MET 18 Cb -0.31 -0.45 -0.05 0.00 2.01 0.00 0.00 34.83 36.03 3hw1 s MET 18 CO 0.28 0.12 0.28 0.95 -0.01 0.00 0.00 175.02 176.63 3hw1 s THR 19 N -0.34 5.29 -0.04 2.05 -4.23 -0.42 -0.95 115.64 117.00 3hw1 s THR 19 Ca 0.00 0.17 -0.00 0.00 -1.18 0.00 0.00 61.69 60.68 3hw1 s THR 19 Cb -0.04 -3.58 0.03 0.00 1.34 0.00 0.00 72.50 70.26 3hw1 s THR 19 CO -0.00 0.34 0.02 0.68 -0.54 0.00 0.00 174.62 175.12 3hw1 s VAL 20 N -1.32 0.13 0.00 2.29 -7.23 -0.14 -2.57 120.40 111.56 3hw1 s VAL 20 Ca 0.29 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.64 3hw1 s VAL 20 Cb -0.13 -0.27 0.00 0.00 0.56 0.00 0.00 36.38 36.53 3hw1 s VAL 20 CO 0.17 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 3hw1 n GLY 21 N 4.58 -0.82 2.88 2.32 0.00 -0.72 -1.54 105.19 111.89 3hw1 n GLY 21 Ca -0.18 -2.15 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 3hw1 n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw1 s SER 22 N -4.00 0.47 0.29 1.61 0.01 -1.26 -2.59 113.70 108.24 3hw1 s SER 22 Ca 0.00 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.08 3hw1 s SER 22 Cb 0.00 0.97 -0.10 0.00 0.21 0.00 0.00 66.02 67.10 3hw1 s SER 22 CO 0.00 -0.31 1.33 -2.16 0.41 0.00 0.00 173.24 172.51 3hw1 s PRO 23 N 2.50 4.35 0.21 12.44 0.04 -1.26 -2.12 135.00 151.16 3hw1 s PRO 23 Ca 0.12 2.20 -0.32 0.00 0.04 0.00 0.00 61.00 63.03 3hw1 s PRO 23 Cb -0.15 -3.10 -0.13 0.00 0.04 0.00 0.00 34.50 31.15 3hw1 s PRO 23 CO -0.16 -0.24 1.55 -2.30 0.04 0.00 0.00 177.00 175.90 3hw1 n PRO 24 N 1.43 2.28 -3.70 0.56 -0.02 -1.07 -4.95 135.00 129.54 3hw1 n PRO 24 Ca 0.02 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 61.95 3hw1 n PRO 24 Cb 0.42 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 3hw1 n PRO 24 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3hw1 s GLN 25 N 0.39 3.73 0.06 -0.52 -0.21 -0.59 -4.82 119.66 117.70 3hw1 s GLN 25 Ca 0.73 0.10 -0.28 0.00 0.02 0.00 0.00 55.36 55.93 3hw1 s GLN 25 Cb -0.62 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.11 3hw1 s GLN 25 CO 0.42 0.68 0.90 0.99 -2.12 0.00 0.00 175.29 176.16 3hw1 s THR 26 N -0.85 4.68 -0.02 -0.19 2.01 -1.26 -0.96 115.64 119.04 3hw1 s THR 26 Ca 0.18 1.93 -0.11 0.00 0.31 0.00 0.00 61.69 64.00 3hw1 s THR 26 Cb -0.14 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.13 3hw1 s THR 26 CO 0.07 0.29 0.23 -0.76 -0.69 0.00 0.00 174.62 173.76 3hw1 s LEU 27 N 0.28 1.15 -0.25 4.42 1.43 -0.13 -4.96 118.68 120.61 3hw1 s LEU 27 Ca 0.46 0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.48 3hw1 s LEU 27 Cb -0.22 0.97 -0.04 0.00 0.03 0.00 0.00 46.19 46.93 3hw1 s LEU 27 CO 0.27 -0.35 0.28 0.20 0.23 0.00 0.00 176.35 176.98 3hw1 s ASN 28 N -1.07 6.19 -0.06 2.29 0.02 -1.26 -0.07 114.94 120.98 3hw1 s ASN 28 Ca -0.11 0.21 0.03 0.00 -1.02 0.00 0.00 52.86 51.97 3hw1 s ASN 28 Cb -0.05 -2.17 -0.02 0.00 0.02 0.00 0.00 41.25 39.02 3hw1 s ASN 28 CO 0.02 -0.08 -0.14 -0.63 0.02 0.00 0.00 177.10 176.30 3hw1 s ILE 29 N 1.64 3.07 0.06 0.60 -1.09 0.10 -0.50 121.20 125.07 3hw1 s ILE 29 Ca 0.12 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.52 3hw1 s ILE 29 Cb -0.15 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.46 3hw1 s ILE 29 CO 0.09 0.58 1.17 -0.22 -1.23 0.00 0.00 174.94 175.33 3hw1 s LEU 30 N -0.56 4.37 -0.38 2.97 2.96 -0.20 -0.25 118.68 127.60 3hw1 s LEU 30 Ca 0.08 1.97 -0.21 0.00 -0.22 0.00 0.00 54.13 55.76 3hw1 s LEU 30 Cb -0.11 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.01 3hw1 s LEU 30 CO 0.01 -0.44 0.64 -0.69 -1.32 0.00 0.00 176.35 174.56 3hw1 s VAL 31 N 1.01 4.86 -0.13 1.68 1.01 -0.32 0.17 120.40 128.68 3hw1 s VAL 31 Ca 0.58 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.97 3hw1 s VAL 31 Cb -0.28 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.02 3hw1 s VAL 31 CO 0.29 -0.41 0.04 -0.62 0.00 0.00 0.00 175.10 174.40 3hw1 s ASP 32 N 1.87 2.15 0.00 3.32 -1.08 -0.78 -3.94 116.67 118.21 3hw1 s ASP 32 Ca 0.24 -0.43 0.20 0.00 -0.52 0.00 0.00 52.55 52.04 3hw1 s ASP 32 Cb -0.14 -0.41 0.53 0.00 -1.46 0.00 0.00 42.92 41.44 3hw1 s ASP 32 CO 0.16 -0.27 1.44 0.35 0.52 0.00 0.00 175.17 177.37 3hw1 n THR 33 N 5.16 0.53 1.10 1.71 -2.24 -1.26 0.04 114.28 119.32 3hw1 n THR 33 Ca -0.07 -0.65 0.12 0.00 -2.27 0.00 0.00 64.05 61.18 3hw1 n THR 33 Cb 0.49 0.59 0.18 0.00 -2.10 0.00 0.00 70.33 69.48 3hw1 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw1 n GLY 34 N 1.37 0.70 3.12 3.38 0.00 -1.26 -4.24 105.19 108.25 3hw1 n GLY 34 Ca 0.18 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 3hw1 n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw1 s SER 35 N -2.05 0.40 -0.00 1.61 0.15 -1.25 -4.97 113.70 107.59 3hw1 s SER 35 Ca 0.29 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.86 3hw1 s SER 35 Cb 0.20 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 3hw1 s SER 35 CO 0.33 -0.66 0.92 -1.20 1.20 0.00 0.00 173.24 173.84 3hw1 n SER 36 N 0.02 0.07 -4.83 5.45 7.64 -1.26 -0.49 113.62 120.22 3hw1 n SER 36 Ca -0.10 -1.87 -0.31 0.00 1.01 0.00 0.00 58.87 57.60 3hw1 n SER 36 Cb 0.62 -0.17 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 3hw1 n SER 36 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3hw1 s ASN 37 N -0.89 5.86 -0.22 6.43 -0.87 -1.26 -4.50 114.94 119.49 3hw1 s ASN 37 Ca 0.01 0.13 -0.07 0.00 -1.57 0.00 0.00 52.86 51.36 3hw1 s ASN 37 Cb 0.01 -1.69 -0.03 0.00 -0.02 0.00 0.00 41.25 39.51 3hw1 s ASN 37 CO 0.00 0.21 0.07 0.12 -2.57 0.00 0.00 177.10 174.92 3hw1 s PHE 38 N -1.36 3.14 -0.18 2.20 5.99 -1.26 0.57 117.98 127.08 3hw1 s PHE 38 Ca 0.29 -0.21 -0.08 0.00 0.00 0.00 0.00 56.93 56.93 3hw1 s PHE 38 Cb -0.12 -2.17 0.07 0.00 0.00 0.00 0.00 43.02 40.80 3hw1 s PHE 38 CO 0.21 -0.15 0.41 0.00 -0.00 0.00 0.00 175.22 175.70 3hw1 s ALA 39 N 1.11 -1.09 0.15 11.12 0.00 -0.78 -1.86 121.76 130.41 3hw1 s ALA 39 Ca 0.04 1.52 0.08 0.00 0.00 0.00 0.00 51.96 53.61 3hw1 s ALA 39 Cb -0.14 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3hw1 s ALA 39 CO 0.03 -0.45 -0.18 0.14 0.00 0.00 0.00 175.76 175.29 3hw1 s VAL 40 N 1.87 1.77 -0.19 0.00 -7.23 -0.50 -0.58 120.40 115.54 3hw1 s VAL 40 Ca -0.06 -1.85 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 3hw1 s VAL 40 Cb -0.10 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 3hw1 s VAL 40 CO -0.13 -0.28 2.05 -0.83 -0.31 0.00 0.00 175.10 175.60 3hw1 s GLY 41 N -2.53 0.80 0.00 2.32 0.00 0.86 -0.50 107.32 108.26 3hw1 s GLY 41 Ca 0.14 0.77 0.19 0.00 0.00 0.00 0.00 44.72 45.82 3hw1 s GLY 41 CO 0.06 3.58 1.14 0.00 0.00 0.00 0.00 173.10 177.88 3hw1 n ALA 42 N 10.38 2.45 -2.59 3.20 0.00 -0.60 -0.15 120.51 133.21 3hw1 n ALA 42 Ca 0.26 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.88 3hw1 n ALA 42 Cb 0.45 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 3hw1 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hw1 s ALA 43 N -1.48 -0.18 0.60 0.00 0.00 -1.21 -4.69 121.76 114.80 3hw1 s ALA 43 Ca 0.24 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 3hw1 s ALA 43 Cb 0.16 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3hw1 s ALA 43 CO 0.24 -0.46 0.97 -2.30 0.00 0.00 0.00 175.76 174.21 3hw1 n PRO 44 N 0.16 0.91 -3.63 0.00 -0.02 -1.26 -4.93 135.00 126.23 3hw1 n PRO 44 Ca -0.16 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 3hw1 n PRO 44 Cb 0.61 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.85 3hw1 n PRO 44 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hw1 s HIS 45 N -1.51 -0.87 0.32 6.00 2.46 -1.26 -5.05 115.29 115.39 3hw1 s HIS 45 Ca 0.76 1.96 0.18 0.00 0.47 0.00 0.00 55.06 58.43 3hw1 s HIS 45 Cb -0.42 0.40 1.18 0.00 -0.13 0.00 0.00 32.58 33.60 3hw1 s HIS 45 CO 0.47 -0.42 1.38 -2.30 -2.47 0.00 0.00 174.74 171.39 3hw1 n PRO 46 N 3.23 -0.05 0.00 2.88 -0.02 -1.26 -0.72 135.00 139.06 3hw1 n PRO 46 Ca -0.16 1.20 0.11 0.00 -2.02 0.00 0.00 63.50 62.63 3hw1 n PRO 46 Cb 0.56 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3hw1 n PRO 46 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3hw1 n PHE 47 N -4.97 0.00 -2.56 6.00 0.99 -1.26 -4.92 117.46 110.74 3hw1 n PHE 47 Ca 0.33 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.36 3hw1 n PHE 47 Cb 1.12 -0.04 -0.02 0.00 -1.00 0.00 0.00 39.48 39.54 3hw1 n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3hw1 s LEU 48 N -2.91 4.23 0.13 4.37 1.43 0.10 -4.63 118.68 121.40 3hw1 s LEU 48 Ca 0.11 1.64 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 3hw1 s LEU 48 Cb 0.17 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.74 3hw1 s LEU 48 CO 0.79 -0.58 1.30 0.45 0.23 0.00 0.00 176.35 178.55 3hw1 h HIS 49 N 7.44 0.42 -4.41 0.29 3.86 -1.91 -3.44 115.15 117.41 3hw1 h HIS 49 Ca -0.30 -0.25 -0.35 0.00 -1.16 0.00 0.00 60.37 58.32 3hw1 h HIS 49 Cb 1.13 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 29.46 3hw1 h HIS 49 CO 0.74 1.09 -0.30 -0.98 0.86 0.00 0.00 177.93 179.34 3hw1 s ARG 50 N -3.10 1.86 0.27 2.45 1.70 -1.26 -5.17 118.95 115.70 3hw1 s ARG 50 Ca -0.04 -1.86 -0.20 0.00 -0.47 0.00 0.00 55.73 53.16 3hw1 s ARG 50 Cb 0.09 0.40 0.02 0.00 -0.57 0.00 0.00 34.95 34.89 3hw1 s ARG 50 CO 0.85 -0.74 0.69 1.52 -1.08 0.00 0.00 175.30 176.54 3hw1 s TYR 51 N -3.17 -0.16 -0.47 5.89 -0.85 -1.26 -4.94 117.35 112.38 3hw1 s TYR 51 Ca 0.34 -0.28 -0.29 0.00 -0.52 0.00 0.00 57.07 56.32 3hw1 s TYR 51 Cb 0.01 0.66 0.03 0.00 0.38 0.00 0.00 41.96 43.03 3hw1 s TYR 51 CO 0.23 -1.20 1.13 -0.47 -1.52 0.00 0.00 175.55 173.72 3hw1 s TYR 52 N -3.92 2.82 -0.98 -3.49 5.04 0.79 -4.97 117.35 112.64 3hw1 s TYR 52 Ca 0.12 0.71 -0.15 0.00 -2.44 0.00 0.00 57.07 55.31 3hw1 s TYR 52 Cb -0.05 -4.41 0.19 0.00 0.35 0.00 0.00 41.96 38.03 3hw1 s TYR 52 CO 0.06 -1.26 1.09 -0.65 -1.34 0.00 0.00 175.55 173.45 3hw1 s GLN 53 N 4.42 3.79 0.52 4.97 -0.21 -1.26 -4.43 119.66 127.46 3hw1 s GLN 53 Ca 0.48 -2.34 0.22 0.00 0.02 0.00 0.00 55.36 53.74 3hw1 s GLN 53 Cb -0.07 -4.76 1.41 0.00 1.00 0.00 0.00 33.01 30.59 3hw1 s GLN 53 CO 0.31 -1.56 2.13 0.07 -2.12 0.00 0.00 175.29 174.12 3hw1 h ARG 54 N 7.88 0.00 -0.19 2.91 -0.00 -1.93 -2.35 114.38 120.70 3hw1 h ARG 54 Ca 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.12 3hw1 h ARG 54 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.93 3hw1 h ARG 54 CO 1.02 0.07 -0.07 -0.56 -0.00 0.00 0.00 179.97 180.43 3hw1 h GLN 55 N 0.00 0.29 -0.64 0.08 -0.00 -1.98 -2.73 115.11 110.13 3hw1 h GLN 55 Ca -0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3hw1 h GLN 55 Cb 0.14 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 3hw1 h GLN 55 CO 0.01 0.38 0.00 1.28 -0.00 0.00 0.00 178.83 180.50 3hw1 n LEU 56 N -4.30 3.15 -4.23 0.06 4.77 -0.88 -4.76 117.00 110.79 3hw1 n LEU 56 Ca -0.00 -1.59 -0.34 0.00 -0.03 0.00 0.00 56.01 54.05 3hw1 n LEU 56 Cb 0.24 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.70 3hw1 n LEU 56 CO 0.38 0.50 -0.45 -0.55 -1.33 0.00 0.00 177.39 175.94 3hw1 s SER 57 N -0.65 3.82 0.24 -1.43 0.15 -1.03 -4.36 113.70 110.43 3hw1 s SER 57 Ca 0.30 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.47 3hw1 s SER 57 Cb 0.20 -1.63 0.27 0.00 -1.71 0.00 0.00 66.02 63.15 3hw1 s SER 57 CO 0.13 -0.01 1.60 0.77 1.20 0.00 0.00 173.24 176.93 3hw1 h SER 58 N 8.00 0.46 0.11 5.45 4.64 -1.72 -2.95 113.55 127.53 3hw1 h SER 58 Ca -0.43 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3hw1 h SER 58 Cb 1.15 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3hw1 h SER 58 CO 0.62 0.86 -0.02 0.35 -0.87 0.00 0.00 176.83 177.76 3hw1 n THR 59 N -3.99 0.00 -1.71 2.95 -2.24 -1.26 -4.88 114.28 103.15 3hw1 n THR 59 Ca -0.02 -0.07 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 3hw1 n THR 59 Cb 0.54 -0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 3hw1 n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hw1 n TYR 60 N -0.76 2.62 -4.60 4.78 9.36 -1.12 -4.48 117.16 122.96 3hw1 n TYR 60 Ca 0.20 0.20 -0.30 0.00 3.32 0.00 0.00 57.90 61.33 3hw1 n TYR 60 Cb 0.20 -2.60 -0.17 0.00 -0.63 0.00 0.00 39.34 36.15 3hw1 n TYR 60 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3hw1 s ARG 61 N 0.38 2.51 -0.46 2.98 0.52 -0.36 -5.01 118.95 119.51 3hw1 s ARG 61 Ca 0.71 -0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 3hw1 s ARG 61 Cb -0.55 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 32.88 3hw1 s ARG 61 CO 0.41 -0.02 1.11 0.34 0.02 0.00 0.00 175.30 177.15 3hw1 s ASP 62 N 0.86 6.65 0.00 0.23 2.15 -1.26 -2.15 116.67 123.14 3hw1 s ASP 62 Ca -0.08 0.49 0.21 0.00 0.43 0.00 0.00 52.55 53.60 3hw1 s ASP 62 Cb -0.15 -2.54 1.22 0.00 -0.30 0.00 0.00 42.92 41.15 3hw1 s ASP 62 CO -0.00 -1.19 1.65 0.18 -0.17 0.00 0.00 175.17 175.64 3hw1 n LEU 63 N 7.66 0.00 -3.83 -1.34 4.77 -0.88 -4.88 117.00 118.50 3hw1 n LEU 63 Ca 0.11 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.85 3hw1 n LEU 63 Cb 0.49 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 3hw1 n LEU 63 CO 0.70 -0.02 0.04 0.54 -1.33 0.00 0.00 177.39 177.32 3hw1 n ARG 64 N -1.06 -4.50 -4.34 3.23 1.74 -1.26 -4.94 116.66 105.53 3hw1 n ARG 64 Ca 0.15 0.53 -0.18 0.00 -0.77 0.00 0.00 57.85 57.58 3hw1 n ARG 64 Cb 0.09 -5.35 -0.10 0.00 -1.02 0.00 0.00 32.46 26.08 3hw1 n ARG 64 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hw1 s LYS 65 N -6.53 1.52 0.26 5.56 2.20 -1.26 -5.05 119.74 116.44 3hw1 s LYS 65 Ca 0.62 -1.85 0.11 0.00 -0.36 0.00 0.00 55.97 54.49 3hw1 s LYS 65 Cb -0.32 -0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 35.68 3hw1 s LYS 65 CO 0.76 -0.35 -0.16 0.20 -0.36 0.00 0.00 175.35 175.44 3hw1 s GLY 66 N -3.36 1.82 -0.26 5.54 0.00 -1.26 -3.20 107.32 106.59 3hw1 s GLY 66 Ca 0.36 -1.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.12 3hw1 s GLY 66 CO 0.15 -1.86 0.66 0.54 0.00 0.00 0.00 173.10 172.59 3hw1 s VAL 67 N -2.33 -0.00 0.02 1.40 0.11 -1.08 -4.64 120.40 113.87 3hw1 s VAL 67 Ca 0.29 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3hw1 s VAL 67 Cb -0.06 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 3hw1 s VAL 67 CO 0.15 0.00 -0.02 -0.72 -3.33 0.00 0.00 175.10 171.18 3hw1 s TYR 68 N 1.35 0.21 -0.29 1.54 1.13 -1.26 -1.97 117.35 118.05 3hw1 s TYR 68 Ca -0.08 -0.38 -0.24 0.00 -1.41 0.00 0.00 57.07 54.96 3hw1 s TYR 68 Cb -0.05 -0.15 0.15 0.00 -1.10 0.00 0.00 41.96 40.81 3hw1 s TYR 68 CO -0.15 -0.13 1.16 0.54 -2.51 0.00 0.00 175.55 174.46 3hw1 s VAL 69 N -1.05 0.00 -0.04 -3.49 0.11 -0.81 -4.91 120.40 110.21 3hw1 s VAL 69 Ca -0.11 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.64 3hw1 s VAL 69 Cb -0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 3hw1 s VAL 69 CO -0.01 0.00 1.16 -2.16 -3.33 0.00 0.00 175.10 170.76 3hw1 s PRO 70 N 0.24 4.39 0.07 1.54 0.04 -1.26 -1.19 135.00 138.83 3hw1 s PRO 70 Ca 0.04 1.63 0.05 0.00 0.04 0.00 0.00 61.00 62.76 3hw1 s PRO 70 Cb -0.05 -3.52 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 3hw1 s PRO 70 CO -0.10 -0.38 -0.14 0.21 0.04 0.00 0.00 177.00 176.64 3hw1 s LYS 75 N 1.95 0.82 -0.00 4.56 2.20 -0.92 -5.19 119.74 123.16 3hw1 s LYS 75 Ca 0.55 -0.97 -0.18 0.00 -0.36 0.00 0.00 55.97 55.01 3hw1 s LYS 75 Cb -0.24 -0.80 0.03 0.00 -1.51 0.00 0.00 37.83 35.31 3hw1 s LYS 75 CO 0.23 0.17 0.39 1.67 -0.36 0.00 0.00 175.35 177.45 3hw1 s TRP 76 N -1.36 -0.26 0.01 4.03 1.48 -0.34 -0.19 118.94 122.32 3hw1 s TRP 76 Ca -0.02 0.35 -0.04 0.00 -1.06 0.00 0.00 56.10 55.33 3hw1 s TRP 76 Cb -0.10 0.17 -0.01 0.00 -1.16 0.00 0.00 33.47 32.38 3hw1 s TRP 76 CO 0.02 -0.48 0.07 -2.00 -4.06 0.00 0.00 176.95 170.51 3hw1 s GLU 77 N -1.69 0.41 0.06 3.25 2.12 -0.13 -1.93 118.70 120.79 3hw1 s GLU 77 Ca -0.10 -0.47 -0.21 0.00 0.36 0.00 0.00 54.97 54.54 3hw1 s GLU 77 Cb -0.03 0.16 0.07 0.00 0.26 0.00 0.00 34.13 34.60 3hw1 s GLU 77 CO 0.03 -0.09 0.99 0.41 -0.54 0.00 0.00 175.26 176.06 3hw1 n GLY 78 N 1.52 0.48 3.74 -1.50 0.00 -0.83 -2.11 105.19 106.49 3hw1 n GLY 78 Ca -0.23 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 3hw1 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw1 s GLU 79 N -2.03 4.16 0.81 1.61 8.01 -1.07 -2.64 118.70 127.55 3hw1 s GLU 79 Ca 0.23 0.01 -0.11 0.00 0.01 0.00 0.00 54.97 55.11 3hw1 s GLU 79 Cb -0.01 -3.40 0.08 0.00 -4.31 0.00 0.00 34.13 26.48 3hw1 s GLU 79 CO 0.02 0.31 1.09 -0.51 0.01 0.00 0.00 175.26 176.19 3hw1 s LEU 80 N 0.26 2.83 0.00 1.80 1.43 -1.19 -0.78 118.68 123.03 3hw1 s LEU 80 Ca 0.15 1.75 -0.08 0.00 -1.03 0.00 0.00 54.13 54.91 3hw1 s LEU 80 Cb -0.13 -4.37 0.03 0.00 0.03 0.00 0.00 46.19 41.76 3hw1 s LEU 80 CO 0.03 -2.21 0.42 0.61 0.23 0.00 0.00 176.35 175.43 3hw1 n GLY 81 N -1.16 1.33 3.03 -3.19 0.00 0.18 -2.07 105.19 103.30 3hw1 n GLY 81 Ca 0.09 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 3hw1 n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hw1 s THR 82 N -2.49 0.01 0.32 2.61 -4.23 -0.91 -1.44 115.64 109.52 3hw1 s THR 82 Ca 0.09 -0.10 -0.14 0.00 -1.18 0.00 0.00 61.69 60.36 3hw1 s THR 82 Cb -0.02 -0.23 0.02 0.00 1.34 0.00 0.00 72.50 73.62 3hw1 s THR 82 CO 0.05 -0.05 0.64 -0.62 -0.54 0.00 0.00 174.62 174.10 3hw1 s ASP 83 N -0.12 0.10 0.18 3.99 -1.08 -1.23 -1.23 116.67 117.29 3hw1 s ASP 83 Ca -0.02 -1.04 -0.30 0.00 -0.52 0.00 0.00 52.55 50.67 3hw1 s ASP 83 Cb -0.02 0.73 -0.08 0.00 -1.46 0.00 0.00 42.92 42.10 3hw1 s ASP 83 CO 0.00 -1.42 1.05 -0.76 0.52 0.00 0.00 175.17 174.57 3hw1 s LEU 84 N -3.06 4.52 -0.04 -1.34 1.43 -1.26 -3.25 118.68 115.67 3hw1 s LEU 84 Ca 0.19 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 3hw1 s LEU 84 Cb -0.03 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.61 3hw1 s LEU 84 CO 0.12 -0.13 -0.01 -0.69 0.23 0.00 0.00 176.35 175.86 3hw1 s VAL 85 N -0.38 0.34 0.06 -1.59 1.01 -0.33 -1.75 120.40 117.76 3hw1 s VAL 85 Ca 0.47 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3hw1 s VAL 85 Cb -0.28 -0.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 3hw1 s VAL 85 CO 0.34 0.20 -0.08 -0.94 0.00 0.00 0.00 175.10 174.62 3hw1 s SER 86 N 1.23 0.97 -0.36 3.32 1.04 -1.06 -1.68 113.70 117.15 3hw1 s SER 86 Ca -0.07 -0.67 -0.03 0.00 0.48 0.00 0.00 55.95 55.66 3hw1 s SER 86 Cb -0.13 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.11 3hw1 s SER 86 CO -0.02 -0.27 0.11 -0.63 0.98 0.00 0.00 173.24 173.41 3hw1 s ILE 87 N -1.97 3.22 0.51 -1.02 1.01 -1.26 -1.29 121.20 120.39 3hw1 s ILE 87 Ca -0.04 -1.68 0.31 0.00 0.00 0.00 0.00 60.65 59.23 3hw1 s ILE 87 Cb -0.06 -3.02 0.49 0.00 0.01 0.00 0.00 42.46 39.88 3hw1 s ILE 87 CO -0.01 -0.40 1.83 -0.65 0.00 0.00 0.00 174.94 175.72 3hw1 h PRO 88 N 8.04 0.09 -1.53 2.79 0.11 -1.92 -0.71 132.00 138.87 3hw1 h PRO 88 Ca -0.17 -0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.36 3hw1 h PRO 88 Cb 1.06 -0.02 -0.42 0.00 0.11 0.00 0.00 31.00 31.73 3hw1 h PRO 88 CO 0.62 0.06 -0.75 0.72 -0.21 0.00 0.00 178.00 178.43 3hw1 n HIS 89 N -4.31 3.32 -0.99 0.65 8.25 -1.26 -4.97 115.22 115.91 3hw1 n HIS 89 Ca 0.23 -3.15 0.00 0.00 -0.26 0.00 0.00 57.72 54.54 3hw1 n HIS 89 Cb 1.05 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 32.04 3hw1 n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hw1 n GLY 90 N -0.44 5.28 3.77 -1.41 0.00 -0.27 -4.38 105.19 107.73 3hw1 n GLY 90 Ca 0.37 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.52 3hw1 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hw1 s PRO 91 N 3.52 4.55 -0.76 1.61 0.05 -1.26 -4.77 135.00 137.94 3hw1 s PRO 91 Ca 0.00 1.14 -0.06 0.00 0.05 0.00 0.00 61.00 62.13 3hw1 s PRO 91 Cb 0.00 -3.29 -0.10 0.00 0.05 0.00 0.00 34.50 31.16 3hw1 s PRO 91 CO 0.00 0.49 2.45 -1.71 0.05 0.00 0.00 177.00 178.28 3hw1 n ASN 92 N 1.94 5.26 -4.31 6.66 4.05 -1.26 -4.64 115.26 122.96 3hw1 n ASN 92 Ca -0.05 -2.32 -0.29 0.00 0.45 0.00 0.00 54.58 52.38 3hw1 n ASN 92 Cb 0.49 -1.15 -0.15 0.00 1.23 0.00 0.00 39.78 40.21 3hw1 n ASN 92 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 3hw1 s VAL 93 N 2.59 1.97 -0.09 3.44 -7.23 -1.26 -5.12 120.40 114.70 3hw1 s VAL 93 Ca 0.48 -1.30 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 3hw1 s VAL 93 Cb 0.15 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 3hw1 s VAL 93 CO -0.03 0.33 -0.18 -0.89 -0.31 0.00 0.00 175.10 174.02 3hw1 s THR 94 N -0.78 2.64 0.04 5.32 2.01 -1.26 -4.45 115.64 119.16 3hw1 s THR 94 Ca 0.10 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.30 3hw1 s THR 94 Cb -0.10 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 3hw1 s THR 94 CO 0.02 0.56 -0.11 0.68 -0.69 0.00 0.00 174.62 175.08 3hw1 s VAL 95 N 0.00 0.80 -0.31 3.82 -7.23 -0.68 -4.94 120.40 111.85 3hw1 s VAL 95 Ca -0.06 -1.03 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 3hw1 s VAL 95 Cb -0.15 -0.79 -0.00 0.00 0.56 0.00 0.00 36.38 36.01 3hw1 s VAL 95 CO 0.05 -0.20 0.74 -0.60 -0.31 0.00 0.00 175.10 174.78 3hw1 s ARG 96 N -1.36 3.92 0.22 4.82 3.52 -1.26 -1.18 118.95 127.61 3hw1 s ARG 96 Ca -0.04 0.47 0.03 0.00 -0.13 0.00 0.00 55.73 56.06 3hw1 s ARG 96 Cb -0.09 -3.74 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 3hw1 s ARG 96 CO 0.01 -0.67 -0.00 0.00 -0.81 0.00 0.00 175.30 173.83 3hw1 s ALA 97 N 2.87 1.69 0.19 6.12 0.00 -1.20 -4.95 121.76 126.48 3hw1 s ALA 97 Ca 0.30 -1.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 3hw1 s ALA 97 Cb -0.14 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.40 3hw1 s ALA 97 CO 0.13 -0.27 0.98 -0.80 0.00 0.00 0.00 175.76 175.81 3hw1 s ASN 98 N -3.27 7.51 -0.05 0.00 0.01 -1.26 -3.48 114.94 114.39 3hw1 s ASN 98 Ca 0.27 1.95 -0.01 0.00 -0.71 0.00 0.00 52.86 54.36 3hw1 s ASN 98 Cb 0.06 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.14 3hw1 s ASN 98 CO 0.07 0.00 -0.00 -0.63 -1.51 0.00 0.00 177.10 175.04 3hw1 s ILE 99 N -0.66 0.31 -0.07 0.60 1.01 -0.52 -4.53 121.20 117.34 3hw1 s ILE 99 Ca 0.44 0.10 -0.25 0.00 0.00 0.00 0.00 60.65 60.95 3hw1 s ILE 99 Cb -0.26 -0.44 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 3hw1 s ILE 99 CO 0.33 0.22 0.77 0.00 0.00 0.00 0.00 174.94 176.25 3hw1 s ALA 100 N 1.61 3.34 -0.60 9.38 0.00 -0.78 0.48 121.76 135.18 3hw1 s ALA 100 Ca -0.01 0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.95 3hw1 s ALA 100 Cb -0.13 -3.06 0.12 0.00 0.00 0.00 0.00 23.12 20.04 3hw1 s ALA 100 CO -0.03 -0.21 0.67 0.00 0.00 0.00 0.00 175.76 176.18 3hw1 s ALA 101 N 1.06 3.50 -0.35 0.00 0.00 0.04 -1.42 121.76 124.58 3hw1 s ALA 101 Ca 0.40 -2.36 -0.28 0.00 0.00 0.00 0.00 51.96 49.72 3hw1 s ALA 101 Cb -0.18 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 3hw1 s ALA 101 CO 0.19 -2.28 1.91 0.42 0.00 0.00 0.00 175.76 176.00 3hw1 s ILE 102 N 2.32 3.36 -0.10 0.00 1.01 0.35 -2.60 121.20 125.53 3hw1 s ILE 102 Ca 0.10 0.34 0.15 0.00 0.00 0.00 0.00 60.65 61.25 3hw1 s ILE 102 Cb -0.25 -3.54 -0.22 0.00 0.01 0.00 0.00 42.46 38.46 3hw1 s ILE 102 CO 0.04 -0.38 0.18 0.35 0.00 0.00 0.00 174.94 175.14 3hw1 n THR 103 N 7.48 0.65 -4.53 2.92 -2.24 -1.16 -1.55 114.28 115.85 3hw1 n THR 103 Ca 0.25 -0.56 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 3hw1 n THR 103 Cb 0.48 -0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.25 3hw1 n THR 103 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hw1 s GLU 104 N -2.71 1.24 0.02 -0.78 2.02 -0.90 -4.91 118.70 112.68 3hw1 s GLU 104 Ca -0.07 -0.40 -0.28 0.00 0.02 0.00 0.00 54.97 54.24 3hw1 s GLU 104 Cb 0.07 -1.12 0.07 0.00 0.10 0.00 0.00 34.13 33.26 3hw1 s GLU 104 CO 0.67 0.15 0.67 -1.54 0.02 0.00 0.00 175.26 175.23 3hw1 s SER 105 N 0.17 -0.61 -0.09 -0.19 1.04 -1.26 -0.96 113.70 111.80 3hw1 s SER 105 Ca -0.04 0.45 -0.00 0.00 0.48 0.00 0.00 55.95 56.84 3hw1 s SER 105 Cb -0.10 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3hw1 s SER 105 CO 0.01 -0.72 -0.06 -0.62 0.98 0.00 0.00 173.24 172.83 3hw1 s ASP 106 N -1.74 1.80 -1.09 7.02 -1.08 0.74 -4.88 116.67 117.44 3hw1 s ASP 106 Ca -0.06 -0.22 -0.26 0.00 -0.52 0.00 0.00 52.55 51.49 3hw1 s ASP 106 Cb -0.00 -0.68 0.04 0.00 -1.46 0.00 0.00 42.92 40.81 3hw1 s ASP 106 CO 0.02 -0.11 0.65 0.29 0.52 0.00 0.00 175.17 176.53 3hw1 n LYS 107 N 4.73 -0.56 0.07 4.34 5.02 -1.26 -2.16 118.16 128.33 3hw1 n LYS 107 Ca -0.14 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3hw1 n LYS 107 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.20 3hw1 n LYS 107 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hw1 n PHE 108 N -4.37 -0.92 -2.21 2.13 7.35 -1.26 -4.57 117.46 113.62 3hw1 n PHE 108 Ca -0.17 0.16 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 3hw1 n PHE 108 Cb 0.59 0.30 -0.03 0.00 0.35 0.00 0.00 39.48 40.69 3hw1 n PHE 108 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3hw1 s PHE 109 N -1.65 3.20 -0.08 -5.13 2.99 -1.26 -5.02 117.98 111.03 3hw1 s PHE 109 Ca 0.00 1.41 0.03 0.00 0.00 0.00 0.00 56.93 58.37 3hw1 s PHE 109 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 43.02 39.41 3hw1 s PHE 109 CO 0.00 -1.63 -0.16 0.42 -0.00 0.00 0.00 175.22 173.85 3hw1 s ILE 110 N -0.82 2.82 0.07 0.64 1.01 -1.26 -4.96 121.20 118.71 3hw1 s ILE 110 Ca 0.50 -0.78 -0.31 0.00 0.00 0.00 0.00 60.65 60.06 3hw1 s ILE 110 Cb -0.38 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 39.89 3hw1 s ILE 110 CO 0.47 0.56 1.79 0.21 0.00 0.00 0.00 174.94 177.97 3hw1 s ASN 111 N -0.22 6.50 -0.48 3.58 3.84 -1.26 -2.42 114.94 124.48 3hw1 s ASN 111 Ca -0.00 2.62 0.00 0.00 0.21 0.00 0.00 52.86 55.69 3hw1 s ASN 111 Cb -0.13 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 3hw1 s ASN 111 CO 0.03 -0.97 0.00 0.61 -2.79 0.00 0.00 177.10 173.98 3hw1 n GLY 112 N 4.22 0.36 0.13 1.21 0.00 -1.26 -4.94 105.19 104.90 3hw1 n GLY 112 Ca 0.18 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 3hw1 n GLY 112 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hw1 h SER 113 N 0.00 0.48 -0.12 1.61 4.64 -1.81 -3.46 113.55 114.89 3hw1 h SER 113 Ca -0.12 -0.89 -0.05 0.00 -0.47 0.00 0.00 61.79 60.26 3hw1 h SER 113 Cb 0.85 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3hw1 h SER 113 CO 0.15 1.61 -0.05 -3.20 -0.87 0.00 0.00 176.83 174.48 3hw1 n ASN 114 N -3.89 -3.84 -4.37 4.97 5.15 -1.26 -4.61 115.26 107.41 3hw1 n ASN 114 Ca -0.22 0.06 -0.30 0.00 -0.60 0.00 0.00 54.58 53.52 3hw1 n ASN 114 Cb 0.93 -1.56 -0.14 0.00 -0.53 0.00 0.00 39.78 38.48 3hw1 n ASN 114 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3hw1 s TRP 115 N -1.91 2.36 -0.28 1.20 1.48 -1.26 -4.61 118.94 115.91 3hw1 s TRP 115 Ca 0.00 -0.38 0.02 0.00 -1.06 0.00 0.00 56.10 54.68 3hw1 s TRP 115 Cb 0.00 -1.39 0.02 0.00 -1.16 0.00 0.00 33.47 30.95 3hw1 s TRP 115 CO 0.00 0.17 0.63 0.39 -4.06 0.00 0.00 176.95 174.08 3hw1 n GLU 116 N 1.64 -0.27 -1.36 3.25 4.71 0.34 -4.85 120.64 124.10 3hw1 n GLU 116 Ca -0.17 -0.75 -0.01 0.00 -0.01 0.00 0.00 57.16 56.23 3hw1 n GLU 116 Cb 0.52 -1.05 0.00 0.00 -1.01 0.00 0.00 31.44 29.91 3hw1 n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hw1 n GLY 117 N 0.09 1.72 3.13 0.62 0.00 -1.23 -0.10 105.19 109.42 3hw1 n GLY 117 Ca 0.01 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 3hw1 n GLY 117 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hw1 s ILE 118 N -2.81 0.02 -0.51 -0.61 2.07 0.25 -1.03 121.20 118.58 3hw1 s ILE 118 Ca 0.02 -0.21 -0.00 0.00 -1.41 0.00 0.00 60.65 59.05 3hw1 s ILE 118 Cb -0.00 -0.39 0.13 0.00 0.13 0.00 0.00 42.46 42.33 3hw1 s ILE 118 CO 0.01 -0.11 0.29 -0.22 -1.91 0.00 0.00 174.94 173.00 3hw1 s LEU 119 N -0.38 4.96 -0.05 8.50 2.96 0.45 -1.86 118.68 133.26 3hw1 s LEU 119 Ca -0.05 -2.62 -0.30 0.00 -0.22 0.00 0.00 54.13 50.95 3hw1 s LEU 119 Cb -0.03 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3hw1 s LEU 119 CO 0.01 -0.38 1.59 -0.83 -1.32 0.00 0.00 176.35 175.42 3hw1 s GLY 120 N 0.74 1.58 0.00 7.98 0.00 0.19 -1.86 107.32 115.95 3hw1 s GLY 120 Ca 0.14 0.91 0.12 0.00 0.00 0.00 0.00 44.72 45.89 3hw1 s GLY 120 CO -0.03 2.92 0.88 1.04 0.00 0.00 0.00 173.10 177.90 3hw1 n LEU 121 N 6.76 1.99 0.00 0.66 4.77 0.11 -4.46 117.00 126.82 3hw1 n LEU 121 Ca 0.16 -1.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.02 3hw1 n LEU 121 Cb 0.43 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.59 3hw1 n LEU 121 CO 0.61 0.38 0.29 0.00 -1.33 0.00 0.00 177.39 177.34 3hw1 n ALA 122 N 0.65 -0.63 -2.14 -1.18 0.00 0.36 -4.94 120.51 112.63 3hw1 n ALA 122 Ca 0.07 -0.59 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 3hw1 n ALA 122 Cb 0.29 -0.03 0.03 0.00 0.00 0.00 0.00 19.45 19.74 3hw1 n ALA 122 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hw1 s TYR 123 N -1.94 3.20 0.54 0.00 1.51 -0.89 -4.61 117.35 115.15 3hw1 s TYR 123 Ca 0.26 0.45 0.27 0.00 -1.01 0.00 0.00 57.07 57.04 3hw1 s TYR 123 Cb -0.01 -2.63 1.43 0.00 -0.11 0.00 0.00 41.96 40.64 3hw1 s TYR 123 CO 0.18 -0.71 1.97 0.00 -1.11 0.00 0.00 175.55 175.88 3hw1 h ALA 124 N 0.00 2.53 0.00 3.71 0.00 -1.88 -3.08 119.26 120.55 3hw1 h ALA 124 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hw1 h ALA 124 Cb 1.26 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hw1 h ALA 124 CO 0.59 -0.74 0.00 -1.91 0.00 0.00 0.00 179.25 177.19 3hw1 n GLU 125 N -4.30 0.15 -0.78 0.00 2.13 -1.26 -1.75 120.64 114.83 3hw1 n GLU 125 Ca 0.11 0.58 0.06 0.00 0.66 0.00 0.00 57.16 58.57 3hw1 n GLU 125 Cb 0.67 -1.93 0.14 0.00 0.27 0.00 0.00 31.44 30.60 3hw1 n GLU 125 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 3hw1 n ILE 126 N -2.24 1.48 -2.13 6.31 -5.35 -1.16 -4.71 119.36 111.56 3hw1 n ILE 126 Ca -0.01 -2.39 -0.27 0.00 -0.27 0.00 0.00 62.75 59.81 3hw1 n ILE 126 Cb 0.08 0.13 0.18 0.00 -1.74 0.00 0.00 39.64 38.29 3hw1 n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hw1 n ALA 127 N -0.67 -0.99 -3.49 -1.28 0.00 -0.72 -4.35 120.51 109.02 3hw1 n ALA 127 Ca 0.14 -1.79 -0.14 0.00 0.00 0.00 0.00 53.44 51.65 3hw1 n ALA 127 Cb 0.81 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 20.15 3hw1 n ALA 127 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hw1 s ARG 128 N -5.64 -0.02 0.41 0.00 1.81 -1.26 -3.89 118.95 110.36 3hw1 s ARG 128 Ca 0.72 0.14 0.13 0.00 -1.72 0.00 0.00 55.73 55.01 3hw1 s ARG 128 Cb -0.03 -0.17 0.86 0.00 -0.45 0.00 0.00 34.95 35.17 3hw1 s ARG 128 CO 0.50 -0.12 1.91 -1.00 -0.68 0.00 0.00 175.30 175.91 3hw1 h PRO 129 N 6.93 0.02 -2.52 3.54 0.13 -1.91 -3.47 132.00 134.72 3hw1 h PRO 129 Ca -0.39 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.88 3hw1 h PRO 129 Cb 1.15 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3hw1 h PRO 129 CO 0.49 0.28 0.49 0.16 -0.23 0.00 0.00 178.00 179.18 3hw1 s ASP 130 N -6.97 -0.09 0.38 1.44 1.47 -1.25 -5.03 116.67 106.63 3hw1 s ASP 130 Ca -0.04 -0.60 0.30 0.00 1.18 0.00 0.00 52.55 53.39 3hw1 s ASP 130 Cb 0.15 0.55 1.28 0.00 -0.34 0.00 0.00 42.92 44.55 3hw1 s ASP 130 CO 0.71 -1.05 1.29 -0.90 0.68 0.00 0.00 175.17 175.91 3hw1 n ASP 131 N -0.86 0.14 -0.38 2.11 5.68 -1.16 -0.94 116.55 121.14 3hw1 n ASP 131 Ca -0.05 1.08 0.32 0.00 -0.50 0.00 0.00 54.79 55.65 3hw1 n ASP 131 Cb 0.60 -0.53 0.64 0.00 -1.14 0.00 0.00 41.12 40.68 3hw1 n ASP 131 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3hw1 h SER 132 N 0.00 0.23 -3.01 -1.12 4.64 -1.96 -3.39 113.55 108.94 3hw1 h SER 132 Ca 0.74 0.07 -0.57 0.00 -0.47 0.00 0.00 61.79 61.55 3hw1 h SER 132 Cb 2.51 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 64.59 3hw1 h SER 132 CO -0.31 -0.02 0.86 -0.22 -0.87 0.00 0.00 176.83 176.27 3hw1 s LEU 133 N -9.10 4.12 -0.48 5.97 2.96 -0.11 -4.99 118.68 117.05 3hw1 s LEU 133 Ca -0.07 1.50 -0.26 0.00 -0.22 0.00 0.00 54.13 55.08 3hw1 s LEU 133 Cb 0.26 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.44 3hw1 s LEU 133 CO 0.81 -0.74 0.98 -0.70 -1.32 0.00 0.00 176.35 175.38 3hw1 s GLU 134 N 3.41 3.54 0.90 1.98 2.12 -1.26 -4.86 118.70 124.53 3hw1 s GLU 134 Ca 0.50 0.19 -0.11 0.00 0.36 0.00 0.00 54.97 55.91 3hw1 s GLU 134 Cb -0.18 -3.94 0.14 0.00 0.26 0.00 0.00 34.13 30.40 3hw1 s GLU 134 CO 0.11 -1.30 1.16 -2.14 -0.54 0.00 0.00 175.26 172.55 3hw1 s PRO 135 N 3.96 1.11 0.21 4.30 0.02 -1.26 -4.40 135.00 138.93 3hw1 s PRO 135 Ca 0.39 1.59 -0.12 0.00 0.02 0.00 0.00 61.00 62.88 3hw1 s PRO 135 Cb -0.10 -1.73 0.27 0.00 0.02 0.00 0.00 34.50 32.96 3hw1 s PRO 135 CO 0.27 -2.57 1.66 0.35 -0.33 0.00 0.00 177.00 176.38 3hw1 h PHE 136 N -1.72 -0.06 0.00 6.54 3.57 -1.83 -1.69 116.94 121.75 3hw1 h PHE 136 Ca -0.44 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.01 3hw1 h PHE 136 Cb 1.27 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 3hw1 h PHE 136 CO 0.50 -0.16 -0.46 0.35 -2.23 0.00 0.00 178.31 176.31 3hw1 h PHE 137 N 0.11 0.00 0.02 0.41 3.57 -1.92 -2.05 116.94 117.07 3hw1 h PHE 137 Ca 0.30 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 3hw1 h PHE 137 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3hw1 h PHE 137 CO -0.36 0.46 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.72 3hw1 h ASP 138 N 0.00 -0.02 -0.48 0.41 5.19 -1.68 -2.40 116.42 117.44 3hw1 h ASP 138 Ca -0.00 -0.28 0.11 0.00 -0.62 0.00 0.00 57.03 56.24 3hw1 h ASP 138 Cb 0.98 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.48 3hw1 h ASP 138 CO 0.06 0.27 0.33 0.28 -3.12 0.00 0.00 179.24 177.07 3hw1 h SER 139 N -0.32 0.12 0.10 6.45 0.02 -1.27 -0.87 113.55 117.78 3hw1 h SER 139 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 3hw1 h SER 139 Cb 0.30 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3hw1 h SER 139 CO 0.00 0.07 -0.70 0.25 -1.14 0.00 0.00 176.83 175.32 3hw1 h LEU 140 N 0.13 0.64 -0.20 5.07 5.85 -1.18 -2.41 115.31 123.21 3hw1 h LEU 140 Ca 0.23 -0.40 -0.15 0.00 0.84 0.00 0.00 57.88 58.40 3hw1 h LEU 140 Cb 0.72 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3hw1 h LEU 140 CO -0.03 1.15 -0.45 0.58 -0.34 0.00 0.00 178.44 179.35 3hw1 h VAL 141 N 0.38 1.32 -0.12 1.05 2.07 -0.85 -2.44 116.25 117.66 3hw1 h VAL 141 Ca -0.03 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 3hw1 h VAL 141 Cb 1.28 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3hw1 h VAL 141 CO 0.13 0.52 0.06 0.50 0.02 0.00 0.00 177.57 178.80 3hw1 h LYS 142 N 0.34 0.18 0.00 1.57 3.64 -1.24 -3.32 116.57 117.73 3hw1 h LYS 142 Ca 0.00 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3hw1 h LYS 142 Cb 1.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3hw1 h LYS 142 CO 0.10 0.22 -0.83 1.96 -2.27 0.00 0.00 179.45 178.64 3hw1 h GLN 143 N 0.09 0.00 -5.21 1.90 4.20 -1.51 -3.47 115.11 111.10 3hw1 h GLN 143 Ca 0.04 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.10 3hw1 h GLN 143 Cb 0.10 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.75 3hw1 h GLN 143 CO -0.01 0.13 -0.52 0.95 -0.67 0.00 0.00 178.83 178.71 3hw1 s THR 144 N -3.18 1.14 -0.98 -0.54 -4.23 -0.92 -5.04 115.64 101.90 3hw1 s THR 144 Ca 0.01 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.62 3hw1 s THR 144 Cb 0.08 -2.27 0.45 0.00 1.34 0.00 0.00 72.50 72.11 3hw1 s THR 144 CO 0.76 0.00 1.25 1.57 -0.54 0.00 0.00 174.62 177.67 3hw1 n HIS 145 N -1.18 1.03 -2.75 3.99 -0.00 -1.26 -4.74 115.22 110.31 3hw1 n HIS 145 Ca -0.16 -0.38 -0.42 0.00 0.46 0.00 0.00 57.72 57.22 3hw1 n HIS 145 Cb 0.67 -0.24 -0.03 0.00 -0.12 0.00 0.00 29.99 30.26 3hw1 n HIS 145 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3hw1 s VAL 146 N -1.85 4.82 0.35 3.57 1.01 -1.26 -4.98 120.40 122.06 3hw1 s VAL 146 Ca 0.31 1.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.97 3hw1 s VAL 146 Cb 0.22 -4.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 3hw1 s VAL 146 CO 0.12 0.04 0.90 -2.65 0.00 0.00 0.00 175.10 173.51 3hw1 n PRO 147 N 4.87 1.14 -1.18 2.72 -0.02 -1.26 -4.68 135.00 136.58 3hw1 n PRO 147 Ca 0.07 0.40 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 3hw1 n PRO 147 Cb 0.49 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 3hw1 n PRO 147 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3hw1 n ASN 148 N 1.03 4.87 -3.55 2.55 5.15 -1.26 -4.25 115.26 119.80 3hw1 n ASN 148 Ca 0.10 -2.58 -0.08 0.00 -0.60 0.00 0.00 54.58 51.43 3hw1 n ASN 148 Cb 0.35 -1.32 -0.03 0.00 -0.53 0.00 0.00 39.78 38.26 3hw1 n ASN 148 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 3hw1 s LEU 149 N 0.85 -0.29 0.22 1.20 2.34 -1.26 -2.02 118.68 119.72 3hw1 s LEU 149 Ca 0.52 0.08 0.00 0.00 0.06 0.00 0.00 54.13 54.79 3hw1 s LEU 149 Cb 0.14 1.79 -0.04 0.00 -0.56 0.00 0.00 46.19 47.52 3hw1 s LEU 149 CO -0.01 -0.45 0.15 0.72 -1.06 0.00 0.00 176.35 175.70 3hw1 s PHE 150 N -2.50 1.28 -0.11 3.48 -0.71 -1.00 -0.06 117.98 118.36 3hw1 s PHE 150 Ca 0.05 -1.41 -0.10 0.00 -1.04 0.00 0.00 56.93 54.43 3hw1 s PHE 150 Cb -0.01 -0.61 0.03 0.00 -1.21 0.00 0.00 43.02 41.22 3hw1 s PHE 150 CO -0.06 -0.65 0.29 -1.54 -1.34 0.00 0.00 175.22 171.92 3hw1 s SER 151 N -3.20 -0.31 -0.14 1.98 1.04 -0.32 -0.33 113.70 112.42 3hw1 s SER 151 Ca 0.39 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.42 3hw1 s SER 151 Cb 0.06 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.77 3hw1 s SER 151 CO 0.14 -0.11 -0.17 -0.76 0.98 0.00 0.00 173.24 173.32 3hw1 s LEU 152 N 0.23 2.39 -0.35 2.42 1.43 0.01 -0.48 118.68 124.33 3hw1 s LEU 152 Ca -0.01 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3hw1 s LEU 152 Cb -0.03 -1.53 0.10 0.00 0.03 0.00 0.00 46.19 44.76 3hw1 s LEU 152 CO -0.00 0.11 0.09 -1.58 0.23 0.00 0.00 176.35 175.19 3hw1 s GLN 153 N 0.65 1.81 -0.15 1.70 0.74 0.91 -1.95 119.66 123.37 3hw1 s GLN 153 Ca -0.09 -1.76 -0.16 0.00 0.05 0.00 0.00 55.36 53.40 3hw1 s GLN 153 Cb -0.16 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.60 3hw1 s GLN 153 CO 0.02 -0.93 0.40 -0.51 -0.55 0.00 0.00 175.29 173.73 3hw1 s LEU 154 N 1.03 4.24 0.21 3.68 1.43 -1.26 -0.31 118.68 127.71 3hw1 s LEU 154 Ca 0.07 0.65 0.08 0.00 -1.03 0.00 0.00 54.13 53.90 3hw1 s LEU 154 Cb -0.20 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 3hw1 s LEU 154 CO -0.06 0.01 0.04 0.00 0.23 0.00 0.00 176.35 176.58 3hw1 n GLY 156 N -0.52 -0.82 7.00 0.00 0.00 -1.26 -4.35 105.19 105.24 3hw1 n GLY 156 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3hw1 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw1 n ALA 157 N -3.86 0.00 0.00 4.61 0.00 -1.26 -4.83 120.51 115.18 3hw1 n ALA 157 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3hw1 n ALA 157 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3hw1 n ALA 157 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hw1 n SER 169 N 8.32 0.00 -3.26 0.00 3.41 -1.26 -5.01 113.62 115.82 3hw1 n SER 169 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 3hw1 n SER 169 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3hw1 n SER 169 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hw1 n VAL 170 N 0.00 0.00 -3.93 -3.33 0.24 0.66 -4.83 118.33 107.15 3hw1 n VAL 170 Ca 0.00 -1.89 -0.12 0.00 -2.04 0.00 0.00 64.34 60.29 3hw1 n VAL 170 Cb 0.00 0.73 -0.00 0.00 -1.47 0.00 0.00 33.84 33.10 3hw1 n VAL 170 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hw1 s GLY 171 N -2.96 0.89 0.00 7.63 0.00 -1.26 -2.43 107.32 109.19 3hw1 s GLY 171 Ca 0.19 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3hw1 s GLY 171 CO 0.14 -0.62 0.00 0.61 0.00 0.00 0.00 173.10 173.23 3hw1 n GLY 172 N -0.56 -0.86 3.17 0.20 0.00 -0.78 -1.65 105.19 104.70 3hw1 n GLY 172 Ca -0.04 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3hw1 n GLY 172 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw1 s SER 173 N 0.00 2.44 -0.31 1.61 0.01 0.58 -0.24 113.70 117.79 3hw1 s SER 173 Ca 0.00 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 3hw1 s SER 173 Cb 0.00 -0.77 0.07 0.00 0.21 0.00 0.00 66.02 65.53 3hw1 s SER 173 CO 0.00 0.16 0.01 -0.32 0.41 0.00 0.00 173.24 173.51 3hw1 s MET 174 N 0.09 2.20 -0.54 12.44 1.75 -1.26 -0.06 119.30 133.92 3hw1 s MET 174 Ca -0.07 -1.45 -0.23 0.00 -1.25 0.00 0.00 55.69 52.70 3hw1 s MET 174 Cb -0.13 -3.19 0.05 0.00 2.84 0.00 0.00 34.83 34.40 3hw1 s MET 174 CO 0.03 -0.72 0.84 0.42 -0.65 0.00 0.00 175.02 174.95 3hw1 s ILE 175 N 1.16 4.54 -0.25 10.11 -1.09 0.37 -4.84 121.20 131.19 3hw1 s ILE 175 Ca -0.02 0.02 -0.26 0.00 -2.23 0.00 0.00 60.65 58.16 3hw1 s ILE 175 Cb -0.20 -4.47 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 3hw1 s ILE 175 CO -0.03 -1.03 0.89 -0.63 -1.23 0.00 0.00 174.94 172.91 3hw1 s ILE 176 N 3.55 4.78 0.00 2.92 1.01 -1.26 -1.17 121.20 131.02 3hw1 s ILE 176 Ca 0.25 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.56 3hw1 s ILE 176 Cb -0.15 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3hw1 s ILE 176 CO 0.17 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3hw1 n GLY 177 N 3.69 0.61 3.25 6.18 0.00 0.91 -4.82 105.19 115.00 3hw1 n GLY 177 Ca 0.07 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.80 3hw1 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hw1 n GLY 178 N -2.71 0.19 3.16 -0.02 0.00 -1.24 -4.40 105.19 100.17 3hw1 n GLY 178 Ca 0.00 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 3hw1 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hw1 s ILE 179 N -2.02 2.36 -0.22 -0.61 1.01 -1.26 -4.32 121.20 116.15 3hw1 s ILE 179 Ca 0.26 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.87 3hw1 s ILE 179 Cb -0.00 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3hw1 s ILE 179 CO -0.02 0.49 0.44 -0.62 0.00 0.00 0.00 174.94 175.23 3hw1 s ASP 180 N 1.33 6.44 0.34 3.58 3.68 -1.26 -4.68 116.67 126.11 3hw1 s ASP 180 Ca 0.05 0.53 0.27 0.00 2.13 0.00 0.00 52.55 55.52 3hw1 s ASP 180 Cb -0.14 -2.25 1.00 0.00 -1.45 0.00 0.00 42.92 40.08 3hw1 s ASP 180 CO -0.10 -0.15 1.79 -0.74 0.13 0.00 0.00 175.17 176.10 3hw1 h HIS 181 N 7.59 0.00 0.00 -5.34 2.76 -1.54 -2.95 115.15 115.67 3hw1 h HIS 181 Ca -0.34 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 57.78 3hw1 h HIS 181 Cb 1.16 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 3hw1 h HIS 181 CO 0.71 0.00 -0.27 0.66 -1.30 0.00 0.00 177.93 177.73 3hw1 h SER 182 N 0.00 0.00 0.26 3.26 4.64 -1.92 -3.30 113.55 116.49 3hw1 h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hw1 h SER 182 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hw1 h SER 182 CO 0.00 0.27 -0.03 0.18 -0.87 0.00 0.00 176.83 176.38 3hw1 n LEU 183 N -3.28 0.25 -4.08 5.97 4.77 -1.11 -4.72 117.00 114.79 3hw1 n LEU 183 Ca 0.01 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 3hw1 n LEU 183 Cb 0.54 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3hw1 n LEU 183 CO 0.35 0.04 0.09 -0.72 -1.33 0.00 0.00 177.39 175.82 3hw1 s TYR 184 N -2.30 0.86 0.06 -1.77 1.13 -1.25 -1.48 117.35 112.60 3hw1 s TYR 184 Ca 0.36 -1.13 0.04 0.00 -1.41 0.00 0.00 57.07 54.94 3hw1 s TYR 184 Cb 0.21 -0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.96 3hw1 s TYR 184 CO 0.42 -1.00 -0.12 0.95 -2.51 0.00 0.00 175.55 173.29 3hw1 s THR 185 N -3.56 0.92 0.00 -3.49 -4.23 -0.87 -4.69 115.64 99.73 3hw1 s THR 185 Ca 0.29 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 3hw1 s THR 185 Cb 0.01 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.94 3hw1 s THR 185 CO 0.15 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3hw1 n GLY 186 N 1.46 -0.30 3.86 3.99 0.00 -1.26 -3.57 105.19 109.38 3hw1 n GLY 186 Ca -0.21 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.40 3hw1 n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hw1 s SER 187 N -4.00 6.64 -0.29 1.61 0.01 -1.26 -4.91 113.70 111.49 3hw1 s SER 187 Ca 0.00 0.78 -0.28 0.00 1.31 0.00 0.00 55.95 57.76 3hw1 s SER 187 Cb 0.00 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 64.07 3hw1 s SER 187 CO 0.00 0.21 1.03 -0.76 0.41 0.00 0.00 173.24 174.13 3hw1 s LEU 188 N -1.75 3.99 -0.18 2.44 1.43 -1.26 -4.48 118.68 118.87 3hw1 s LEU 188 Ca 0.31 1.09 -0.09 0.00 -1.03 0.00 0.00 54.13 54.41 3hw1 s LEU 188 Cb -0.14 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 3hw1 s LEU 188 CO 0.17 -0.79 0.12 0.26 0.23 0.00 0.00 176.35 176.33 3hw1 s TRP 189 N 3.45 3.42 -0.18 0.29 0.52 -0.83 -4.88 118.94 120.74 3hw1 s TRP 189 Ca 0.44 0.33 -0.07 0.00 0.02 0.00 0.00 56.10 56.82 3hw1 s TRP 189 Cb -0.13 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.06 3hw1 s TRP 189 CO 0.13 0.38 0.04 0.71 0.02 0.00 0.00 176.95 178.22 3hw1 s TYR 190 N 0.02 3.21 0.01 -1.98 1.51 -1.26 -0.16 117.35 118.70 3hw1 s TYR 190 Ca 0.09 -0.01 -0.00 0.00 -1.01 0.00 0.00 57.07 56.14 3hw1 s TYR 190 Cb -0.11 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 3hw1 s TYR 190 CO -0.00 0.11 0.10 -0.08 -1.11 0.00 0.00 175.55 174.56 3hw1 s THR 191 N 0.40 4.82 0.40 -0.71 -1.32 0.21 -3.45 115.64 116.00 3hw1 s THR 191 Ca 0.02 -0.43 -0.24 0.00 -1.21 0.00 0.00 61.69 59.83 3hw1 s THR 191 Cb -0.13 -3.24 -0.09 0.00 -1.51 0.00 0.00 72.50 67.53 3hw1 s THR 191 CO 0.01 0.30 1.03 -2.84 -2.21 0.00 0.00 174.62 170.91 3hw1 s PRO 192 N -1.91 4.17 -0.35 7.08 0.02 -1.26 0.37 135.00 143.13 3hw1 s PRO 192 Ca 0.25 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.44 3hw1 s PRO 192 Cb -0.12 -2.50 0.01 0.00 0.02 0.00 0.00 34.50 31.90 3hw1 s PRO 192 CO 0.17 -0.13 1.28 0.42 -0.33 0.00 0.00 177.00 178.41 3hw1 s ILE 193 N -1.71 4.14 0.30 2.83 1.01 -1.00 -4.58 121.20 122.19 3hw1 s ILE 193 Ca 0.58 1.25 0.06 0.00 0.00 0.00 0.00 60.65 62.55 3hw1 s ILE 193 Cb -0.20 -4.25 0.05 0.00 0.01 0.00 0.00 42.46 38.07 3hw1 s ILE 193 CO 0.26 -0.60 1.73 -0.09 0.00 0.00 0.00 174.94 176.24 3hw1 h ARG 194 N 9.45 0.26 -1.71 2.79 2.43 -1.70 -3.45 114.38 122.44 3hw1 h ARG 194 Ca -0.25 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 58.83 3hw1 h ARG 194 Cb 1.09 -0.01 -0.24 0.00 -0.42 0.00 0.00 29.97 30.39 3hw1 h ARG 194 CO 1.06 0.59 0.38 0.50 -1.51 0.00 0.00 179.97 180.99 3hw1 s ARG 195 N -4.24 0.63 -0.77 0.20 3.52 -1.26 -5.09 118.95 111.94 3hw1 s ARG 195 Ca -0.05 0.60 -0.23 0.00 -0.13 0.00 0.00 55.73 55.92 3hw1 s ARG 195 Cb 0.14 0.31 0.07 0.00 -1.56 0.00 0.00 34.95 33.90 3hw1 s ARG 195 CO 0.77 -0.11 1.12 -1.21 -0.81 0.00 0.00 175.30 175.06 3hw1 s GLU 196 N -0.04 3.28 0.00 5.12 2.02 -1.26 -4.16 118.70 123.66 3hw1 s GLU 196 Ca 0.01 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.07 3hw1 s GLU 196 Cb -0.04 -4.49 0.00 0.00 0.10 0.00 0.00 34.13 29.70 3hw1 s GLU 196 CO -0.02 -1.92 0.00 -2.67 0.02 0.00 0.00 175.26 170.66 3hw1 n TRP 197 N 7.97 -0.02 -1.89 1.61 4.27 -1.26 -4.65 117.44 123.46 3hw1 n TRP 197 Ca 0.07 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.39 3hw1 n TRP 197 Cb 0.47 0.01 0.09 0.00 -1.36 0.00 0.00 31.31 30.52 3hw1 n TRP 197 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3hw1 s TYR 198 N -0.02 2.94 -0.86 -2.67 2.02 -1.26 -2.09 117.35 115.41 3hw1 s TYR 198 Ca 0.00 0.75 -0.25 0.00 -0.37 0.00 0.00 57.07 57.20 3hw1 s TYR 198 Cb 0.00 -3.50 0.03 0.00 -0.40 0.00 0.00 41.96 38.09 3hw1 s TYR 198 CO 0.00 -1.79 1.43 0.71 -1.57 0.00 0.00 175.55 174.33 3hw1 s TYR 199 N -3.57 2.31 -0.08 2.71 1.51 -1.26 -4.83 117.35 114.14 3hw1 s TYR 199 Ca 0.62 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 56.30 3hw1 s TYR 199 Cb -0.11 -4.59 -0.05 0.00 -0.11 0.00 0.00 41.96 37.10 3hw1 s TYR 199 CO 0.49 -2.02 0.25 -2.00 -1.11 0.00 0.00 175.55 171.17 3hw1 s GLU 200 N 5.59 3.70 0.19 -0.62 2.12 -1.26 -2.54 118.70 125.88 3hw1 s GLU 200 Ca 0.44 0.09 -0.00 0.00 0.36 0.00 0.00 54.97 55.86 3hw1 s GLU 200 Cb -0.05 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3hw1 s GLU 200 CO 0.04 0.69 0.09 0.14 -0.54 0.00 0.00 175.26 175.68 3hw1 s VAL 201 N -0.90 0.23 -0.30 3.70 -7.23 -0.81 -1.86 120.40 113.22 3hw1 s VAL 201 Ca 0.18 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 3hw1 s VAL 201 Cb -0.14 -2.36 0.08 0.00 0.56 0.00 0.00 36.38 34.52 3hw1 s VAL 201 CO 0.07 -0.18 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.03 3hw1 s ILE 202 N -3.98 2.22 0.27 -0.62 1.01 -1.26 -4.19 121.20 114.64 3hw1 s ILE 202 Ca 0.33 -2.03 -0.30 0.00 0.00 0.00 0.00 60.65 58.65 3hw1 s ILE 202 Cb 0.07 -2.50 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 3hw1 s ILE 202 CO 0.09 -0.35 1.08 -0.63 0.00 0.00 0.00 174.94 175.13 3hw1 s ILE 203 N 0.99 3.55 -0.04 2.92 1.01 -1.26 -0.94 121.20 127.44 3hw1 s ILE 203 Ca 0.02 1.56 0.01 0.00 0.00 0.00 0.00 60.65 62.24 3hw1 s ILE 203 Cb -0.19 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 3hw1 s ILE 203 CO -0.07 0.37 0.08 1.33 0.00 0.00 0.00 174.94 176.65 3hw1 n VAL 204 N 1.27 0.00 -3.64 2.92 0.24 0.79 -4.78 118.33 115.14 3hw1 n VAL 204 Ca -0.01 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.34 61.72 3hw1 n VAL 204 Cb 0.45 1.00 -0.07 0.00 -1.47 0.00 0.00 33.84 33.75 3hw1 n VAL 204 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hw1 s ARG 205 N -0.95 0.47 -0.01 7.34 3.52 -1.22 -4.80 118.95 123.29 3hw1 s ARG 205 Ca 0.00 0.53 0.07 0.00 -0.13 0.00 0.00 55.73 56.20 3hw1 s ARG 205 Cb 0.01 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.60 3hw1 s ARG 205 CO 0.03 -0.06 -0.21 0.08 -0.81 0.00 0.00 175.30 174.32 3hw1 s VAL 206 N 0.14 1.68 0.01 7.11 1.01 -1.26 -0.43 120.40 128.65 3hw1 s VAL 206 Ca 0.03 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3hw1 s VAL 206 Cb -0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 3hw1 s VAL 206 CO -0.07 0.44 -0.07 -1.61 0.00 0.00 0.00 175.10 173.79 3hw1 s GLU 207 N -0.59 0.54 -0.25 2.72 2.02 -0.22 -2.14 118.70 120.78 3hw1 s GLU 207 Ca 0.08 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 54.65 3hw1 s GLU 207 Cb -0.08 -0.47 0.01 0.00 0.10 0.00 0.00 34.13 33.68 3hw1 s GLU 207 CO -0.00 0.12 -0.02 0.42 0.02 0.00 0.00 175.26 175.79 3hw1 s ILE 208 N -0.49 3.31 -1.43 -1.63 -1.09 -0.22 -0.96 121.20 118.70 3hw1 s ILE 208 Ca -0.01 -0.74 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 3hw1 s ILE 208 Cb -0.05 -2.62 0.08 0.00 -1.58 0.00 0.00 42.46 38.29 3hw1 s ILE 208 CO 0.00 0.26 0.67 0.59 -1.23 0.00 0.00 174.94 175.23 3hw1 n ASN 209 N 4.76 -4.32 0.00 3.58 4.13 -0.66 -0.85 115.26 121.90 3hw1 n ASN 209 Ca -0.17 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.55 3hw1 n ASN 209 Cb 0.49 -3.51 0.00 0.00 -1.54 0.00 0.00 39.78 35.21 3hw1 n ASN 209 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hw1 n GLY 210 N -1.39 1.35 3.67 7.41 0.00 -1.26 -5.01 105.19 109.96 3hw1 n GLY 210 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3hw1 n GLY 210 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hw1 s GLN 211 N -0.02 4.26 0.27 1.61 0.74 -0.03 -5.03 119.66 121.45 3hw1 s GLN 211 Ca 0.00 0.68 -0.29 0.00 0.05 0.00 0.00 55.36 55.80 3hw1 s GLN 211 Cb 0.00 -3.55 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 3hw1 s GLN 211 CO 0.00 -0.19 1.16 0.34 -0.55 0.00 0.00 175.29 176.05 3hw1 s ASP 212 N 1.11 7.13 0.34 6.67 2.15 -1.26 -1.05 116.67 131.76 3hw1 s ASP 212 Ca 0.31 2.34 0.16 0.00 0.43 0.00 0.00 52.55 55.79 3hw1 s ASP 212 Cb -0.16 -2.63 0.54 0.00 -0.30 0.00 0.00 42.92 40.37 3hw1 s ASP 212 CO 0.11 -0.27 1.67 0.25 -0.17 0.00 0.00 175.17 176.77 3hw1 h LEU 213 N 4.09 0.00 0.00 -1.34 5.85 -1.81 -3.48 115.31 118.62 3hw1 h LEU 213 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hw1 h LEU 213 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3hw1 h LEU 213 CO 0.69 0.46 0.00 1.17 -0.34 0.00 0.00 178.44 180.41 3hw1 n LYS 214 N -3.57 0.00 -1.60 1.25 3.00 -1.26 -5.02 118.16 110.96 3hw1 n LYS 214 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 3hw1 n LYS 214 Cb 0.56 -2.09 0.10 0.00 0.00 0.00 0.00 35.03 33.60 3hw1 n LYS 214 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 3hw1 s MET 215 N -0.16 1.84 0.44 1.64 -1.94 -1.26 -5.01 119.30 114.85 3hw1 s MET 215 Ca 0.00 0.48 -0.25 0.00 -1.71 0.00 0.00 55.69 54.20 3hw1 s MET 215 Cb 0.00 -1.90 -0.08 0.00 2.01 0.00 0.00 34.83 34.85 3hw1 s MET 215 CO 0.00 -1.75 1.41 0.34 -0.01 0.00 0.00 175.02 175.00 3hw1 s ASP 216 N -4.03 5.96 0.00 3.03 -1.08 -1.26 -4.90 116.67 114.40 3hw1 s ASP 216 Ca 0.62 2.87 0.28 0.00 -0.52 0.00 0.00 52.55 55.80 3hw1 s ASP 216 Cb -0.14 -2.65 1.65 0.00 -1.46 0.00 0.00 42.92 40.31 3hw1 s ASP 216 CO 0.53 -1.11 2.02 0.00 0.52 0.00 0.00 175.17 177.13 3hw1 n LYS 218 N -0.97 0.35 -0.22 0.00 2.85 -1.26 -3.76 118.16 115.17 3hw1 n LYS 218 Ca 0.21 -0.09 0.09 0.00 -1.05 0.00 0.00 58.31 57.47 3hw1 n LYS 218 Cb 0.09 -1.53 0.37 0.00 -0.65 0.00 0.00 35.03 33.32 3hw1 n LYS 218 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3hw1 h GLU 219 N 0.00 0.69 0.00 -1.58 4.39 -1.80 -1.68 114.58 114.59 3hw1 h GLU 219 Ca 0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 3hw1 h GLU 219 Cb 0.77 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3hw1 h GLU 219 CO 0.00 0.45 -0.27 1.88 -1.16 0.00 0.00 179.01 179.91 3hw1 h TYR 220 N 0.71 0.00 -0.46 4.33 0.99 -1.71 -3.18 116.97 117.65 3hw1 h TYR 220 Ca 0.37 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.80 3hw1 h TYR 220 Cb 0.49 0.00 -0.20 0.00 1.00 0.00 0.00 36.73 38.02 3hw1 h TYR 220 CO -0.00 0.27 -0.31 0.09 -0.00 0.00 0.00 178.16 178.21 3hw1 n ASN 221 N -4.16 3.54 -4.35 3.88 3.02 -0.70 -4.45 115.26 112.05 3hw1 n ASN 221 Ca -0.02 -3.81 -0.42 0.00 -0.03 0.00 0.00 54.58 50.30 3hw1 n ASN 221 Cb 0.33 -0.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 3hw1 n ASN 221 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hw1 s TYR 222 N -3.41 3.28 -1.80 3.10 5.04 -0.80 -1.88 117.35 120.88 3hw1 s TYR 222 Ca 0.47 -1.13 0.17 0.00 -2.44 0.00 0.00 57.07 54.13 3hw1 s TYR 222 Cb 0.41 -2.95 0.27 0.00 0.35 0.00 0.00 41.96 40.05 3hw1 s TYR 222 CO -0.01 -0.78 1.18 -0.40 -1.34 0.00 0.00 175.55 174.21 3hw1 n ASP 223 N 5.06 2.83 -3.61 4.32 5.75 -1.26 -3.71 116.55 125.93 3hw1 n ASP 223 Ca -0.11 -1.83 -0.07 0.00 -0.01 0.00 0.00 54.79 52.77 3hw1 n ASP 223 Cb 0.44 -0.15 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 3hw1 n ASP 223 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3hw1 s LYS 224 N -1.23 0.36 -0.12 0.11 -2.85 -0.79 -4.84 119.74 110.39 3hw1 s LYS 224 Ca 0.26 0.14 -0.02 0.00 -1.00 0.00 0.00 55.97 55.35 3hw1 s LYS 224 Cb 0.16 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 3hw1 s LYS 224 CO 0.22 -0.10 -0.05 -1.12 0.10 0.00 0.00 175.35 174.40 3hw1 s SER 225 N -0.87 4.72 0.05 0.03 0.01 -1.26 0.21 113.70 116.59 3hw1 s SER 225 Ca 0.03 -0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.20 3hw1 s SER 225 Cb -0.01 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 3hw1 s SER 225 CO -0.04 0.25 -0.04 0.27 0.41 0.00 0.00 173.24 174.10 3hw1 s ILE 226 N -0.12 0.26 -0.47 1.44 -4.36 -0.42 -1.93 121.20 115.60 3hw1 s ILE 226 Ca 0.02 -1.58 -0.13 0.00 -0.26 0.00 0.00 60.65 58.70 3hw1 s ILE 226 Cb -0.13 -1.20 0.10 0.00 1.25 0.00 0.00 42.46 42.47 3hw1 s ILE 226 CO 0.03 -0.84 0.37 -0.69 0.24 0.00 0.00 174.94 174.04 3hw1 s VAL 227 N -3.20 4.74 -0.39 8.37 1.01 -1.05 0.40 120.40 130.28 3hw1 s VAL 227 Ca 0.01 -1.39 0.02 0.00 0.00 0.00 0.00 61.98 60.62 3hw1 s VAL 227 Cb 0.03 -3.95 0.11 0.00 0.00 0.00 0.00 36.38 32.57 3hw1 s VAL 227 CO -0.07 -0.66 0.13 -0.62 0.00 0.00 0.00 175.10 173.88 3hw1 s ASP 228 N 2.68 4.90 0.60 3.32 2.15 -1.01 -4.49 116.67 124.82 3hw1 s ASP 228 Ca 0.04 -2.22 0.41 0.00 0.43 0.00 0.00 52.55 51.20 3hw1 s ASP 228 Cb -0.25 -1.70 2.21 0.00 -0.30 0.00 0.00 42.92 42.88 3hw1 s ASP 228 CO 0.03 -0.42 2.24 0.77 -0.17 0.00 0.00 175.17 177.63 3hw1 h SER 229 N 7.63 0.00 -0.04 -0.34 4.64 -1.85 -2.39 113.55 121.20 3hw1 h SER 229 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3hw1 h SER 229 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3hw1 h SER 229 CO 0.59 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 3hw1 n GLY 230 N -1.12 0.25 3.73 -0.77 0.00 -1.25 -4.68 105.19 101.35 3hw1 n GLY 230 Ca -0.03 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 3hw1 n GLY 230 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hw1 s THR 231 N -1.96 4.68 -0.08 2.61 2.01 -0.90 -4.96 115.64 117.04 3hw1 s THR 231 Ca 0.36 -0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.17 3hw1 s THR 231 Cb 0.20 -3.00 -0.06 0.00 0.01 0.00 0.00 72.50 69.65 3hw1 s THR 231 CO 0.32 0.60 0.30 0.74 -0.69 0.00 0.00 174.62 175.89 3hw1 h THR 232 N 4.18 0.25 -4.52 -0.82 2.02 -1.87 0.41 112.91 112.55 3hw1 h THR 232 Ca -0.51 -1.04 -0.47 0.00 0.77 0.00 0.00 66.41 65.17 3hw1 h THR 232 Cb 1.20 0.45 0.11 0.00 -1.74 0.00 0.00 68.15 68.17 3hw1 h THR 232 CO 0.57 0.08 0.38 0.20 0.37 0.00 0.00 175.52 177.12 3hw1 s ASN 233 N -5.45 4.25 -0.40 4.18 0.01 -1.26 -1.79 114.94 114.47 3hw1 s ASN 233 Ca -0.05 0.83 -0.20 0.00 -0.71 0.00 0.00 52.86 52.73 3hw1 s ASN 233 Cb -0.00 -1.34 0.01 0.00 0.41 0.00 0.00 41.25 40.34 3hw1 s ASN 233 CO 0.17 -2.07 0.62 -0.22 -1.51 0.00 0.00 177.10 174.08 3hw1 s LEU 234 N -5.69 4.42 -0.16 0.60 2.96 -0.76 -2.77 118.68 117.28 3hw1 s LEU 234 Ca 0.62 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.26 3hw1 s LEU 234 Cb -0.12 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.81 3hw1 s LEU 234 CO 0.50 -0.68 0.17 -0.13 -1.32 0.00 0.00 176.35 174.89 3hw1 s ARG 235 N 2.71 4.00 0.10 1.98 0.52 -0.80 -2.24 118.95 125.23 3hw1 s ARG 235 Ca 0.22 -0.11 0.10 0.00 -0.52 0.00 0.00 55.73 55.42 3hw1 s ARG 235 Cb -0.14 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 3hw1 s ARG 235 CO 0.17 0.43 -0.25 -0.51 0.02 0.00 0.00 175.30 175.16 3hw1 s LEU 236 N -0.04 2.28 0.72 2.53 1.43 -0.44 -1.50 118.68 123.65 3hw1 s LEU 236 Ca 0.12 -0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 3hw1 s LEU 236 Cb -0.12 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.94 3hw1 s LEU 236 CO 0.01 0.17 0.75 -2.65 0.23 0.00 0.00 176.35 174.86 3hw1 n PRO 237 N 1.18 0.40 -0.14 1.29 -0.02 -1.26 0.07 135.00 136.51 3hw1 n PRO 237 Ca -0.18 0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3hw1 n PRO 237 Cb 0.53 -2.03 0.04 0.00 -0.02 0.00 0.00 33.50 32.02 3hw1 n PRO 237 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3hw1 h LYS 238 N -0.32 0.09 0.02 -0.52 3.64 -1.91 0.29 116.57 117.86 3hw1 h LYS 238 Ca -0.46 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3hw1 h LYS 238 Cb 1.34 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3hw1 h LYS 238 CO 0.45 0.06 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.46 3hw1 h LYS 239 N 0.09 -0.02 -0.96 1.90 3.64 -1.92 -2.72 116.57 116.58 3hw1 h LYS 239 Ca 0.23 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3hw1 h LYS 239 Cb 0.34 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 3hw1 h LYS 239 CO -0.39 0.10 0.64 0.28 -2.27 0.00 0.00 179.45 177.81 3hw1 h VAL 240 N -0.14 1.23 -0.24 2.00 2.07 -1.46 -2.26 116.25 117.46 3hw1 h VAL 240 Ca -0.00 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hw1 h VAL 240 Cb 0.13 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3hw1 h VAL 240 CO 0.00 0.24 0.12 0.15 0.02 0.00 0.00 177.57 178.10 3hw1 h PHE 241 N 1.29 0.23 0.00 1.57 3.57 -0.42 -1.62 116.94 121.55 3hw1 h PHE 241 Ca 0.36 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.87 3hw1 h PHE 241 Cb -0.12 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.55 3hw1 h PHE 241 CO -0.00 0.13 0.00 0.93 -2.23 0.00 0.00 178.31 177.14 3hw1 h GLU 242 N 0.26 0.00 0.15 1.11 5.08 -1.09 -0.82 114.58 119.27 3hw1 h GLU 242 Ca 0.10 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.10 3hw1 h GLU 242 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3hw1 h GLU 242 CO -0.06 0.00 -1.85 0.00 -1.00 0.00 0.00 179.01 176.10 3hw1 h ALA 243 N 2.24 0.31 0.90 3.43 0.00 -1.23 -2.84 119.26 122.07 3hw1 h ALA 243 Ca 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 54.91 53.60 3hw1 h ALA 243 Cb 0.54 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hw1 h ALA 243 CO 0.00 1.19 -0.43 0.00 0.00 0.00 0.00 179.25 180.00 3hw1 h ALA 244 N 0.15 -1.21 -0.78 0.00 0.00 -1.18 -2.16 119.26 114.07 3hw1 h ALA 244 Ca -0.37 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.36 3hw1 h ALA 244 Cb 2.06 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 20.27 3hw1 h ALA 244 CO 0.13 -1.17 0.51 0.28 0.00 0.00 0.00 179.25 179.01 3hw1 h VAL 245 N -1.24 0.96 -0.46 0.00 2.07 -1.31 0.23 116.25 116.50 3hw1 h VAL 245 Ca -0.12 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3hw1 h VAL 245 Cb 0.93 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3hw1 h VAL 245 CO 0.20 0.13 0.28 0.50 0.02 0.00 0.00 177.57 178.70 3hw1 h LYS 246 N 0.73 0.54 -0.21 1.57 3.64 -1.46 0.58 116.57 121.95 3hw1 h LYS 246 Ca 0.36 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.51 3hw1 h LYS 246 Cb 0.43 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3hw1 h LYS 246 CO -0.13 0.36 -0.65 1.03 -2.27 0.00 0.00 179.45 177.78 3hw1 h SER 247 N 0.56 0.90 0.48 4.20 0.87 -0.30 -2.53 113.55 117.72 3hw1 h SER 247 Ca 0.18 -0.53 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 3hw1 h SER 247 Cb -0.00 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3hw1 h SER 247 CO -0.08 1.32 -0.55 0.40 -0.53 0.00 0.00 176.83 177.39 3hw1 h ILE 248 N 0.58 1.39 -0.61 2.23 2.04 -0.57 -1.19 117.51 121.38 3hw1 h ILE 248 Ca -0.02 -1.89 -0.10 0.00 1.00 0.00 0.00 64.86 63.86 3hw1 h ILE 248 Cb 1.26 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 3hw1 h ILE 248 CO 0.14 0.55 -0.01 0.11 0.00 0.00 0.00 178.15 178.93 3hw1 h LYS 249 N 0.06 1.08 -0.21 2.37 1.57 -0.74 -2.32 116.57 118.38 3hw1 h LYS 249 Ca -0.00 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 3hw1 h LYS 249 Cb 1.00 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3hw1 h LYS 249 CO 0.08 1.05 -0.18 0.00 -0.57 0.00 0.00 179.45 179.83 3hw1 h ALA 250 N 0.99 0.30 0.42 3.86 0.00 -1.21 -2.70 119.26 120.92 3hw1 h ALA 250 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hw1 h ALA 250 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hw1 h ALA 250 CO 0.03 0.21 -0.40 0.00 0.00 0.00 0.00 179.25 179.09 3hw1 h ALA 251 N 0.66 -0.89 -0.04 0.00 0.00 -1.22 -2.53 119.26 115.25 3hw1 h ALA 251 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hw1 h ALA 251 Cb 0.71 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hw1 h ALA 251 CO 0.05 -1.04 0.01 -1.13 0.00 0.00 0.00 179.25 177.14 3hw1 n SER 252 N -5.50 1.70 0.22 0.00 3.41 -0.88 -4.51 113.62 108.05 3hw1 n SER 252 Ca -0.11 -2.06 0.15 0.00 -0.26 0.00 0.00 58.87 56.59 3hw1 n SER 252 Cb 0.40 -0.51 0.75 0.00 -0.26 0.00 0.00 64.21 64.59 3hw1 n SER 252 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hw1 h SER 253 N 0.19 0.00 0.39 4.04 4.64 -1.10 -2.01 113.55 119.69 3hw1 h SER 253 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hw1 h SER 253 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3hw1 h SER 253 CO 0.04 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 3hw1 n THR 254 N -2.58 1.10 -4.54 2.95 -2.24 -1.26 -4.47 114.28 103.24 3hw1 n THR 254 Ca -0.01 0.28 -0.22 0.00 -2.27 0.00 0.00 64.05 61.83 3hw1 n THR 254 Cb 0.12 -1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 67.13 3hw1 n THR 254 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hw1 s GLU 255 N -2.94 1.12 -0.13 -0.78 2.02 -0.76 -5.14 118.70 112.09 3hw1 s GLU 255 Ca 0.07 -0.41 -0.04 0.00 0.02 0.00 0.00 54.97 54.60 3hw1 s GLU 255 Cb 0.08 -1.04 -0.03 0.00 0.10 0.00 0.00 34.13 33.24 3hw1 s GLU 255 CO 0.22 0.20 0.02 0.15 0.02 0.00 0.00 175.26 175.87 3hw1 s LYS 256 N -0.04 3.43 0.27 1.61 -0.14 -1.26 -4.94 119.74 118.66 3hw1 s LYS 256 Ca 0.00 -0.39 0.10 0.00 -1.36 0.00 0.00 55.97 54.32 3hw1 s LYS 256 Cb -0.07 -2.96 -0.05 0.00 -1.68 0.00 0.00 37.83 33.07 3hw1 s LYS 256 CO 0.00 0.50 -0.08 -0.06 -0.76 0.00 0.00 175.35 174.95 3hw1 s PHE 257 N -0.30 2.54 0.64 3.18 0.40 -1.26 -5.10 117.98 118.08 3hw1 s PHE 257 Ca 0.07 -0.26 -0.17 0.00 -0.60 0.00 0.00 56.93 55.96 3hw1 s PHE 257 Cb -0.12 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.28 3hw1 s PHE 257 CO 0.02 0.65 1.22 -2.14 0.70 0.00 0.00 175.22 175.67 3hw1 s PRO 258 N -3.57 2.68 0.30 0.24 0.02 -1.26 -4.88 135.00 128.53 3hw1 s PRO 258 Ca 0.31 1.82 0.05 0.00 0.02 0.00 0.00 61.00 63.20 3hw1 s PRO 258 Cb -0.06 -1.89 0.74 0.00 0.02 0.00 0.00 34.50 33.30 3hw1 s PRO 258 CO 0.18 -1.43 1.75 -0.44 -0.33 0.00 0.00 177.00 176.73 3hw1 h ASP 259 N 0.48 0.66 -0.46 2.53 5.19 -2.02 -1.62 116.42 121.17 3hw1 h ASP 259 Ca -0.50 0.11 0.11 0.00 -0.62 0.00 0.00 57.03 56.14 3hw1 h ASP 259 Cb 1.30 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.79 3hw1 h ASP 259 CO 0.53 0.19 0.33 1.23 -3.12 0.00 0.00 179.24 178.40 3hw1 h GLY 260 N 0.65 0.17 1.11 2.75 0.00 -1.96 -2.46 103.07 103.33 3hw1 h GLY 260 Ca 0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.85 3hw1 h GLY 260 CO -0.42 0.03 0.52 -2.75 0.00 0.00 0.00 176.54 173.92 3hw1 h PHE 261 N 0.12 1.15 0.00 5.60 3.57 -1.48 0.21 116.94 126.11 3hw1 h PHE 261 Ca 0.22 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3hw1 h PHE 261 Cb 0.72 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3hw1 h PHE 261 CO -0.00 0.76 0.00 0.91 -2.23 0.00 0.00 178.31 177.75 3hw1 n TRP 262 N -4.36 0.54 -0.52 0.41 7.02 -0.93 -1.81 117.44 117.79 3hw1 n TRP 262 Ca 0.10 0.18 0.10 0.00 -1.02 0.00 0.00 57.50 56.86 3hw1 n TRP 262 Cb 0.06 -0.80 0.32 0.00 -2.42 0.00 0.00 31.31 28.47 3hw1 n TRP 262 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3hw1 n LEU 263 N -1.97 4.27 -0.09 -0.99 4.77 -0.90 -4.95 117.00 117.14 3hw1 n LEU 263 Ca 0.04 -2.30 -0.01 0.00 -0.03 0.00 0.00 56.01 53.71 3hw1 n LEU 263 Cb 0.30 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3hw1 n LEU 263 CO 0.23 0.85 -0.01 0.61 -1.33 0.00 0.00 177.39 177.73 3hw1 n GLY 264 N 1.10 0.31 0.04 -0.72 0.00 -0.75 -4.87 105.19 100.30 3hw1 n GLY 264 Ca 0.23 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.34 3hw1 n GLY 264 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hw1 n GLU 265 N -0.79 0.17 -3.89 1.61 1.02 0.70 -4.88 120.64 114.59 3hw1 n GLU 265 Ca -0.01 0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 57.09 3hw1 n GLU 265 Cb 0.31 -1.63 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 3hw1 n GLU 265 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3hw1 s GLN 266 N -3.09 0.45 0.27 3.49 0.74 -1.14 -4.88 119.66 115.50 3hw1 s GLN 266 Ca 0.09 -0.42 -0.14 0.00 0.05 0.00 0.00 55.36 54.94 3hw1 s GLN 266 Cb 0.15 0.19 -0.08 0.00 1.10 0.00 0.00 33.01 34.36 3hw1 s GLN 266 CO 0.67 -0.10 0.67 -0.51 -0.55 0.00 0.00 175.29 175.47 3hw1 s LEU 267 N -1.36 4.15 -0.10 3.68 1.43 -1.26 -4.34 118.68 120.88 3hw1 s LEU 267 Ca -0.15 1.19 0.02 0.00 -1.03 0.00 0.00 54.13 54.16 3hw1 s LEU 267 Cb -0.08 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 3hw1 s LEU 267 CO 0.01 -0.11 -0.15 -0.69 0.23 0.00 0.00 176.35 175.64 3hw1 s VAL 268 N -1.83 2.93 0.17 -1.59 1.01 -0.74 -4.94 120.40 115.40 3hw1 s VAL 268 Ca 0.49 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3hw1 s VAL 268 Cb -0.12 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3hw1 s VAL 268 CO 0.19 0.55 -0.19 0.00 0.00 0.00 0.00 175.10 175.65 3hw1 s TRP 270 N -2.03 0.04 0.33 0.00 0.51 -0.75 -4.98 118.94 112.07 3hw1 s TRP 270 Ca 0.16 -0.08 -0.26 0.00 -2.12 0.00 0.00 56.10 53.80 3hw1 s TRP 270 Cb -0.06 -0.05 -0.13 0.00 -0.81 0.00 0.00 33.47 32.42 3hw1 s TRP 270 CO 0.07 -0.21 0.84 1.04 -0.51 0.00 0.00 176.95 178.19 3hw1 n GLN 271 N 1.91 1.01 -1.65 4.98 6.02 -1.26 -1.24 117.38 127.15 3hw1 n GLN 271 Ca -0.20 0.36 -0.47 0.00 -0.01 0.00 0.00 57.00 56.68 3hw1 n GLN 271 Cb 0.56 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 30.08 3hw1 n GLN 271 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hw1 n ALA 272 N -0.18 0.78 -0.99 -1.58 0.00 -0.49 -1.97 120.51 116.08 3hw1 n ALA 272 Ca 0.11 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3hw1 n ALA 272 Cb 0.34 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3hw1 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hw1 n GLY 273 N 2.95 0.62 0.33 0.00 0.00 -1.26 -4.89 105.19 102.94 3hw1 n GLY 273 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 3hw1 n GLY 273 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hw1 n THR 274 N -2.65 1.73 -1.66 2.61 -2.24 -0.83 -5.01 114.28 106.23 3hw1 n THR 274 Ca 0.00 -1.80 -0.43 0.00 -2.27 0.00 0.00 64.05 59.55 3hw1 n THR 274 Cb 0.02 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 3hw1 n THR 274 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hw1 n THR 275 N -0.83 0.74 -1.82 4.28 -1.04 -1.26 -4.85 114.28 109.51 3hw1 n THR 275 Ca 0.14 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 3hw1 n THR 275 Cb 0.61 -2.30 -0.00 0.00 -1.82 0.00 0.00 70.33 66.82 3hw1 n THR 275 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hw1 n PRO 276 N 7.54 3.08 -0.32 -2.82 -0.04 -1.26 -4.73 135.00 136.46 3hw1 n PRO 276 Ca 0.21 -2.77 0.13 0.00 -0.04 0.00 0.00 63.50 61.03 3hw1 n PRO 276 Cb 0.40 -3.18 0.32 0.00 -0.04 0.00 0.00 33.50 31.00 3hw1 n PRO 276 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hw1 h TRP 277 N 5.86 0.79 0.00 0.54 -0.00 -1.95 -2.07 115.95 119.12 3hw1 h TRP 277 Ca 0.56 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.49 3hw1 h TRP 277 Cb 0.61 -0.21 0.00 0.00 -0.00 0.00 0.00 29.16 29.56 3hw1 h TRP 277 CO 1.45 0.04 0.00 0.27 -0.00 0.00 0.00 178.44 180.20 3hw1 n ASN 278 N -4.96 0.57 0.13 -3.49 0.23 -1.26 -1.78 115.26 104.70 3hw1 n ASN 278 Ca 0.23 0.68 0.12 0.00 -0.53 0.00 0.00 54.58 55.08 3hw1 n ASN 278 Cb 0.64 -0.79 0.09 0.00 -2.08 0.00 0.00 39.78 37.64 3hw1 n ASN 278 CO 0.00 0.00 0.00 0.16 -0.93 0.00 0.00 177.26 176.49 3hw1 h ILE 279 N 0.00 0.00 -3.28 1.53 3.07 -1.76 -3.45 117.51 113.62 3hw1 h ILE 279 Ca 0.00 -0.90 -0.57 0.00 1.55 0.00 0.00 64.86 64.94 3hw1 h ILE 279 Cb 0.23 1.56 -0.04 0.00 -0.27 0.00 0.00 36.82 38.29 3hw1 h ILE 279 CO 0.00 0.00 -0.03 -0.36 -1.05 0.00 0.00 178.15 176.71 3hw1 s PHE 280 N -3.28 3.76 0.57 0.16 0.08 -0.73 -3.28 117.98 115.26 3hw1 s PHE 280 Ca 0.03 1.25 -0.11 0.00 0.12 0.00 0.00 56.93 58.22 3hw1 s PHE 280 Cb 0.09 -2.49 -0.05 0.00 -0.57 0.00 0.00 43.02 40.00 3hw1 s PHE 280 CO 0.74 0.54 0.98 -1.25 -0.10 0.00 0.00 175.22 176.13 3hw1 s PRO 281 N -1.32 3.67 0.60 0.24 0.04 -1.26 -4.79 135.00 132.17 3hw1 s PRO 281 Ca 0.32 0.71 -0.14 0.00 0.04 0.00 0.00 61.00 61.93 3hw1 s PRO 281 Cb -0.19 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 3hw1 s PRO 281 CO 0.19 -0.44 1.03 0.14 0.04 0.00 0.00 177.00 177.96 3hw1 s VAL 282 N -2.98 4.23 -0.17 -0.36 -7.23 -1.26 -4.26 120.40 108.37 3hw1 s VAL 282 Ca 0.55 0.93 0.01 0.00 -1.81 0.00 0.00 61.98 61.65 3hw1 s VAL 282 Cb -0.11 -3.57 0.02 0.00 0.56 0.00 0.00 36.38 33.28 3hw1 s VAL 282 CO 0.47 -0.75 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.71 3hw1 s ILE 283 N -2.76 1.87 -0.21 -0.62 1.01 -0.79 -1.65 121.20 118.05 3hw1 s ILE 283 Ca 0.59 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 60.30 3hw1 s ILE 283 Cb -0.13 -1.73 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3hw1 s ILE 283 CO 0.42 0.47 0.12 -0.44 0.00 0.00 0.00 174.94 175.51 3hw1 s SER 284 N 1.36 5.94 -0.19 3.58 0.01 -0.14 -1.28 113.70 122.99 3hw1 s SER 284 Ca 0.04 0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.39 3hw1 s SER 284 Cb -0.13 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 3hw1 s SER 284 CO -0.12 0.13 -0.03 -0.76 0.41 0.00 0.00 173.24 172.87 3hw1 s LEU 285 N 0.65 3.08 -0.20 2.44 1.43 0.18 -1.06 118.68 125.19 3hw1 s LEU 285 Ca 0.06 -0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 3hw1 s LEU 285 Cb -0.12 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3hw1 s LEU 285 CO 0.01 0.07 0.44 -0.31 0.23 0.00 0.00 176.35 176.79 3hw1 s TYR 286 N 0.98 3.37 0.16 0.29 1.51 0.43 -1.05 117.35 123.02 3hw1 s TYR 286 Ca 0.00 0.67 0.06 0.00 -1.01 0.00 0.00 57.07 56.79 3hw1 s TYR 286 Cb -0.15 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 3hw1 s TYR 286 CO 0.01 -0.06 0.08 -0.51 -1.11 0.00 0.00 175.55 173.96 3hw1 s LEU 287 N 1.48 3.62 0.48 -1.29 1.43 -0.13 -0.15 118.68 124.12 3hw1 s LEU 287 Ca 0.21 -0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 3hw1 s LEU 287 Cb -0.15 -2.26 -0.08 0.00 0.03 0.00 0.00 46.19 43.73 3hw1 s LEU 287 CO 0.09 0.09 1.33 0.80 0.23 0.00 0.00 176.35 178.89 3hw1 n MET 288 N -0.15 1.91 -3.70 1.70 0.00 -0.12 -2.36 117.12 114.40 3hw1 n MET 288 Ca -0.09 0.69 -0.30 0.00 -0.00 0.00 0.00 57.70 58.00 3hw1 n MET 288 Cb 0.54 -2.51 -0.04 0.00 0.00 0.00 0.00 33.22 31.21 3hw1 n MET 288 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hw1 s GLY 289 N -0.66 2.10 0.42 -5.12 0.00 0.22 -4.16 107.32 100.12 3hw1 s GLY 289 Ca 0.65 -0.67 0.14 0.00 0.00 0.00 0.00 44.72 44.84 3hw1 s GLY 289 CO 0.55 -0.61 1.93 0.83 0.00 0.00 0.00 173.10 175.80 3hw1 h GLU 290 N 2.60 0.43 -6.85 2.90 4.39 -1.83 -3.42 114.58 112.79 3hw1 h GLU 290 Ca -0.46 -0.03 -0.47 0.00 0.34 0.00 0.00 59.36 58.74 3hw1 h GLU 290 Cb 1.17 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 3hw1 h GLU 290 CO 0.72 0.28 0.24 0.08 -1.16 0.00 0.00 179.01 179.17 3hw1 s VAL 291 N -5.43 4.46 0.18 3.13 1.01 -1.26 -5.02 120.40 117.47 3hw1 s VAL 291 Ca -0.08 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 62.97 3hw1 s VAL 291 Cb 0.21 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 3hw1 s VAL 291 CO 0.76 -0.10 1.46 -0.89 0.00 0.00 0.00 175.10 176.33 3hw1 s THR 292 N -1.90 2.87 -1.20 3.92 2.01 -1.26 -3.05 115.64 117.03 3hw1 s THR 292 Ca 0.54 0.66 -0.08 0.00 0.31 0.00 0.00 61.69 63.13 3hw1 s THR 292 Cb -0.13 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 68.97 3hw1 s THR 292 CO 0.18 0.07 1.05 0.59 -0.69 0.00 0.00 174.62 175.82 3hw1 n ASN 293 N 3.37 -5.75 -3.92 3.53 3.02 -1.26 -5.00 115.26 109.26 3hw1 n ASN 293 Ca 0.10 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 54.04 3hw1 n ASN 293 Cb 0.40 -4.54 -0.14 0.00 -0.61 0.00 0.00 39.78 34.89 3hw1 n ASN 293 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hw1 s GLN 294 N -6.13 0.19 0.10 3.52 -0.21 -1.17 -2.21 119.66 113.74 3hw1 s GLN 294 Ca 0.50 -0.16 0.02 0.00 0.02 0.00 0.00 55.36 55.75 3hw1 s GLN 294 Cb -0.22 -0.13 -0.04 0.00 1.00 0.00 0.00 33.01 33.62 3hw1 s GLN 294 CO 0.65 0.03 -0.07 -1.54 -2.12 0.00 0.00 175.29 172.24 3hw1 s SER 295 N -0.26 1.18 0.35 5.90 1.04 -0.59 0.72 113.70 122.03 3hw1 s SER 295 Ca -0.01 -0.96 0.09 0.00 0.48 0.00 0.00 55.95 55.55 3hw1 s SER 295 Cb -0.02 0.08 -0.07 0.00 0.10 0.00 0.00 66.02 66.11 3hw1 s SER 295 CO -0.00 -0.42 -0.09 0.72 0.98 0.00 0.00 173.24 174.42 3hw1 s PHE 296 N -3.37 2.40 0.12 5.02 -0.12 -1.00 0.03 117.98 121.07 3hw1 s PHE 296 Ca 0.10 -0.51 0.08 0.00 -0.05 0.00 0.00 56.93 56.56 3hw1 s PHE 296 Cb 0.03 -1.39 -0.04 0.00 -0.63 0.00 0.00 43.02 40.99 3hw1 s PHE 296 CO -0.04 0.58 -0.20 -0.98 -0.05 0.00 0.00 175.22 174.53 3hw1 s ARG 297 N -3.61 1.16 -0.06 1.99 1.70 -0.31 -0.95 118.95 118.86 3hw1 s ARG 297 Ca 0.33 -1.23 0.05 0.00 -0.47 0.00 0.00 55.73 54.40 3hw1 s ARG 297 Cb 0.03 -1.37 -0.01 0.00 -0.57 0.00 0.00 34.95 33.03 3hw1 s ARG 297 CO 0.17 0.31 -0.22 0.96 -1.08 0.00 0.00 175.30 175.43 3hw1 s ILE 298 N -1.42 1.83 -0.17 4.99 -4.36 -0.22 -1.69 121.20 120.16 3hw1 s ILE 298 Ca 0.09 -0.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 3hw1 s ILE 298 Cb -0.09 -1.57 0.03 0.00 1.25 0.00 0.00 42.46 42.09 3hw1 s ILE 298 CO 0.05 0.51 -0.12 -0.89 0.24 0.00 0.00 174.94 174.73 3hw1 s THR 299 N 0.04 1.60 0.29 8.37 2.01 -0.06 -0.65 115.64 127.23 3hw1 s THR 299 Ca -0.07 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.19 3hw1 s THR 299 Cb -0.14 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.77 3hw1 s THR 299 CO 0.04 0.33 0.42 0.27 -0.69 0.00 0.00 174.62 174.98 3hw1 s ILE 300 N 1.45 4.64 0.32 1.82 -4.36 -0.40 -2.03 121.20 122.64 3hw1 s ILE 300 Ca 0.02 -1.00 0.09 0.00 -0.26 0.00 0.00 60.65 59.50 3hw1 s ILE 300 Cb -0.14 -3.63 -0.04 0.00 1.25 0.00 0.00 42.46 39.90 3hw1 s ILE 300 CO -0.10 -0.24 0.11 -0.76 0.24 0.00 0.00 174.94 174.19 3hw1 s LEU 301 N -4.08 3.27 0.61 0.37 1.43 -1.26 -1.88 118.68 117.14 3hw1 s LEU 301 Ca 0.40 -0.71 0.30 0.00 -1.03 0.00 0.00 54.13 53.09 3hw1 s LEU 301 Cb -0.09 -1.76 1.71 0.00 0.03 0.00 0.00 46.19 46.07 3hw1 s LEU 301 CO 0.30 -0.20 2.08 1.55 0.23 0.00 0.00 176.35 180.31 3hw1 h PRO 302 N 1.64 0.00 -0.06 1.29 0.13 -1.87 0.59 132.00 133.71 3hw1 h PRO 302 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3hw1 h PRO 302 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hw1 h PRO 302 CO 0.62 0.00 0.09 1.96 -0.23 0.00 0.00 178.00 180.44 3hw1 h GLN 303 N 0.00 0.00 0.00 0.86 7.50 -1.87 -0.70 115.11 120.91 3hw1 h GLN 303 Ca 0.08 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.14 3hw1 h GLN 303 Cb 0.53 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 3hw1 h GLN 303 CO -0.00 0.00 -0.61 1.96 -1.50 0.00 0.00 178.83 178.68 3hw1 h GLN 304 N 0.00 0.00 -0.00 1.46 7.50 -0.08 -3.41 115.11 120.58 3hw1 h GLN 304 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 3hw1 h GLN 304 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.74 3hw1 h GLN 304 CO -0.00 0.58 -0.12 2.48 -1.50 0.00 0.00 178.83 180.27 3hw1 n TYR 305 N -4.57 0.00 -3.56 2.96 0.18 -1.13 -4.39 117.16 106.64 3hw1 n TYR 305 Ca -0.16 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.21 3hw1 n TYR 305 Cb 0.42 -0.18 -0.09 0.00 -0.38 0.00 0.00 39.34 39.11 3hw1 n TYR 305 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3hw1 s LEU 306 N -2.48 5.41 -0.06 -3.48 1.43 -0.27 -0.47 118.68 118.76 3hw1 s LEU 306 Ca 0.28 -1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 51.44 3hw1 s LEU 306 Cb 0.20 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3hw1 s LEU 306 CO 0.48 -0.61 0.96 -0.13 0.23 0.00 0.00 176.35 177.28 3hw1 s ARG 307 N 1.42 4.47 0.48 1.70 0.52 0.05 -4.75 118.95 122.85 3hw1 s ARG 307 Ca 0.04 1.34 -0.22 0.00 -0.52 0.00 0.00 55.73 56.38 3hw1 s ARG 307 Cb -0.24 -3.50 -0.07 0.00 0.52 0.00 0.00 34.95 31.65 3hw1 s ARG 307 CO 0.01 -0.18 1.14 -1.25 0.02 0.00 0.00 175.30 175.05 3hw1 s PRO 308 N 1.50 3.66 0.01 3.54 0.04 -1.26 -0.06 135.00 142.42 3hw1 s PRO 308 Ca 0.48 1.69 0.03 0.00 0.04 0.00 0.00 61.00 63.24 3hw1 s PRO 308 Cb -0.19 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 3hw1 s PRO 308 CO 0.22 -0.62 -0.09 0.08 0.04 0.00 0.00 177.00 176.63 3hw1 s VAL 309 N -1.64 0.68 0.26 -0.36 1.01 0.18 -4.84 120.40 115.70 3hw1 s VAL 309 Ca 0.66 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 3hw1 s VAL 309 Cb -0.26 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 3hw1 s VAL 309 CO 0.31 0.09 1.05 -1.61 0.00 0.00 0.00 175.10 174.95 3hw1 s GLU 310 N -0.47 4.71 0.00 2.72 0.41 -1.26 -3.69 118.70 121.12 3hw1 s GLU 310 Ca 0.01 1.71 0.00 0.00 -0.41 0.00 0.00 54.97 56.28 3hw1 s GLU 310 Cb -0.04 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 29.09 3hw1 s GLU 310 CO -0.00 0.30 0.00 -0.25 -0.49 0.00 0.00 175.26 174.82 3hw1 n ASP 311 N 1.32 0.00 0.00 -0.19 10.43 -1.26 -5.01 116.55 121.84 3hw1 n ASP 311 Ca -0.01 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.35 3hw1 n ASP 311 Cb 0.45 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.41 3hw1 n ASP 311 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 3hw1 n GLN 316 N 0.00 0.00 -4.29 -1.24 -0.06 -1.26 -5.20 117.38 105.33 3hw1 n GLN 316 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.80 3hw1 n GLN 316 Cb 0.00 -0.14 -0.13 0.00 -4.06 0.00 0.00 30.24 25.91 3hw1 n GLN 316 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3hw1 s ASP 317 N 0.00 1.78 -0.27 1.69 1.11 -1.26 -1.39 116.67 118.33 3hw1 s ASP 317 Ca 0.00 -0.54 -0.08 0.00 0.18 0.00 0.00 52.55 52.11 3hw1 s ASP 317 Cb 0.00 -0.09 -0.02 0.00 1.07 0.00 0.00 42.92 43.88 3hw1 s ASP 317 CO 0.00 0.00 0.10 -1.81 1.18 0.00 0.00 175.17 174.64 3hw1 s ASP 318 N -1.44 5.32 0.04 0.27 1.01 -0.37 -4.87 116.67 116.64 3hw1 s ASP 318 Ca 0.01 -0.32 0.06 0.00 0.71 0.00 0.00 52.55 53.01 3hw1 s ASP 318 Cb -0.09 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 3hw1 s ASP 318 CO 0.02 -0.09 -0.13 0.00 0.21 0.00 0.00 175.17 175.18 3hw1 s TYR 320 N -1.00 0.81 -0.11 0.00 1.51 -0.01 0.49 117.35 119.04 3hw1 s TYR 320 Ca 0.17 -0.41 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 3hw1 s TYR 320 Cb -0.11 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3hw1 s TYR 320 CO 0.08 -0.03 -0.07 0.21 -1.11 0.00 0.00 175.55 174.62 3hw1 s LYS 321 N -1.34 3.17 0.02 -0.62 2.20 0.91 -1.79 119.74 122.29 3hw1 s LYS 321 Ca -0.05 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 3hw1 s LYS 321 Cb -0.09 -2.71 -0.07 0.00 -1.51 0.00 0.00 37.83 33.46 3hw1 s LYS 321 CO 0.01 0.44 1.53 0.12 -0.36 0.00 0.00 175.35 177.10 3hw1 s PHE 322 N -0.21 2.57 -0.29 4.03 5.36 -1.26 -0.77 117.98 127.40 3hw1 s PHE 322 Ca 0.03 0.54 0.09 0.00 -0.96 0.00 0.00 56.93 56.62 3hw1 s PHE 322 Cb -0.13 -3.82 0.49 0.00 -0.34 0.00 0.00 43.02 39.22 3hw1 s PHE 322 CO 0.03 -3.20 1.43 0.00 -1.46 0.00 0.00 175.22 172.02 3hw1 n ALA 323 N 5.70 4.32 -3.30 11.12 0.00 0.38 -4.50 120.51 134.23 3hw1 n ALA 323 Ca 0.15 -3.23 -0.33 0.00 0.00 0.00 0.00 53.44 50.03 3hw1 n ALA 323 Cb 0.42 -0.68 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 3hw1 n ALA 323 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hw1 s ILE 324 N -3.36 2.51 0.25 0.00 1.01 -1.26 -1.82 121.20 118.53 3hw1 s ILE 324 Ca 0.44 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3hw1 s ILE 324 Cb 0.40 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 3hw1 s ILE 324 CO -0.01 0.54 0.24 -0.94 0.00 0.00 0.00 174.94 174.77 3hw1 s SER 325 N 0.54 0.57 0.19 3.58 1.04 -0.95 -4.81 113.70 113.86 3hw1 s SER 325 Ca -0.11 -1.43 -0.30 0.00 0.48 0.00 0.00 55.95 54.58 3hw1 s SER 325 Cb -0.16 0.48 -0.08 0.00 0.10 0.00 0.00 66.02 66.35 3hw1 s SER 325 CO 0.04 -0.98 1.20 -1.58 0.98 0.00 0.00 173.24 172.91 3hw1 s GLN 326 N -3.86 4.49 0.10 4.02 0.74 -1.26 -1.33 119.66 122.56 3hw1 s GLN 326 Ca 0.37 1.89 0.09 0.00 0.05 0.00 0.00 55.36 57.76 3hw1 s GLN 326 Cb 0.04 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.88 3hw1 s GLN 326 CO 0.16 -0.09 -0.22 0.45 -0.55 0.00 0.00 175.29 175.04 3hw1 s SER 327 N 0.11 3.57 -0.06 6.67 0.15 0.11 -4.75 113.70 119.50 3hw1 s SER 327 Ca 0.53 -0.61 0.09 0.00 0.70 0.00 0.00 55.95 56.65 3hw1 s SER 327 Cb -0.33 -0.40 0.13 0.00 -1.71 0.00 0.00 66.02 63.71 3hw1 s SER 327 CO 0.37 0.20 1.03 -1.54 1.20 0.00 0.00 173.24 174.50 3hw1 n SER 328 N 1.08 1.84 -0.60 5.45 3.41 -1.26 -3.18 113.62 120.36 3hw1 n SER 328 Ca -0.17 -2.42 0.06 0.00 -0.26 0.00 0.00 58.87 56.08 3hw1 n SER 328 Cb 0.53 -0.21 0.14 0.00 -0.26 0.00 0.00 64.21 64.40 3hw1 n SER 328 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hw1 n THR 329 N -0.85 1.52 -0.24 6.66 -2.24 -1.26 -4.90 114.28 112.96 3hw1 n THR 329 Ca 0.07 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.58 3hw1 n THR 329 Cb 0.48 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3hw1 n THR 329 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw1 n GLY 330 N -0.82 -3.17 3.74 3.38 0.00 -1.24 -4.55 105.19 102.53 3hw1 n GLY 330 Ca 0.14 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 3hw1 n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hw1 s THR 331 N -0.61 3.94 -0.24 2.61 2.01 0.13 -4.34 115.64 119.14 3hw1 s THR 331 Ca 0.00 1.80 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 3hw1 s THR 331 Cb 0.00 -4.15 0.07 0.00 0.01 0.00 0.00 72.50 68.43 3hw1 s THR 331 CO 0.00 0.37 0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 3hw1 s VAL 332 N -0.68 0.94 -1.14 3.82 1.01 -0.56 -1.30 120.40 122.48 3hw1 s VAL 332 Ca 0.45 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.20 3hw1 s VAL 332 Cb -0.28 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.70 3hw1 s VAL 332 CO 0.35 -0.33 1.57 -0.04 0.00 0.00 0.00 175.10 176.64 3hw1 s MET 333 N 1.64 3.76 0.00 2.72 -1.94 0.16 -1.91 119.30 123.74 3hw1 s MET 333 Ca 0.01 -1.50 0.00 0.00 -1.71 0.00 0.00 55.69 52.49 3hw1 s MET 333 Cb -0.18 -5.43 0.00 0.00 2.01 0.00 0.00 34.83 31.23 3hw1 s MET 333 CO -0.13 -2.22 0.00 0.41 -0.01 0.00 0.00 175.02 173.07 3hw1 n GLY 334 N 6.24 -0.25 0.32 -0.03 0.00 -1.11 -2.40 105.19 107.96 3hw1 n GLY 334 Ca 0.40 -1.68 0.21 0.00 0.00 0.00 0.00 46.02 44.94 3hw1 n GLY 334 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hw1 h ALA 335 N -1.85 1.08 -0.02 4.61 0.00 0.49 -1.01 119.26 122.56 3hw1 h ALA 335 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3hw1 h ALA 335 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hw1 h ALA 335 CO 0.00 0.01 -0.67 -0.39 0.00 0.00 0.00 179.25 178.20 3hw1 h VAL 336 N 0.00 1.45 -0.09 0.00 -1.51 -1.59 -0.18 116.25 114.33 3hw1 h VAL 336 Ca -0.00 -2.23 -0.15 0.00 -1.23 0.00 0.00 66.70 63.09 3hw1 h VAL 336 Cb 0.09 2.19 0.01 0.00 -2.13 0.00 0.00 31.29 31.45 3hw1 h VAL 336 CO 0.00 0.65 -0.54 0.40 -1.23 0.00 0.00 177.57 176.85 3hw1 h ILE 337 N 0.07 1.37 0.00 7.19 1.08 -1.51 -3.33 117.51 122.38 3hw1 h ILE 337 Ca -0.01 -1.87 0.00 0.00 -0.39 0.00 0.00 64.86 62.58 3hw1 h ILE 337 Cb 1.20 2.25 0.00 0.00 -3.07 0.00 0.00 36.82 37.20 3hw1 h ILE 337 CO 0.10 0.56 0.00 0.23 -0.69 0.00 0.00 178.15 178.35 3hw1 n MET 338 N -4.21 0.02 0.09 2.37 2.81 -0.79 -3.06 117.12 114.35 3hw1 n MET 338 Ca -0.08 0.01 0.12 0.00 -1.81 0.00 0.00 57.70 55.95 3hw1 n MET 338 Cb 0.62 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.91 3hw1 n MET 338 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3hw1 h GLU 339 N 0.00 0.00 0.00 0.03 5.08 -1.15 -3.19 114.58 115.36 3hw1 h GLU 339 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hw1 h GLU 339 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hw1 h GLU 339 CO 0.00 0.00 -0.48 0.41 -1.00 0.00 0.00 179.01 177.94 3hw1 n GLY 340 N 1.31 -1.36 2.96 -3.84 0.00 -1.17 -4.39 105.19 98.69 3hw1 n GLY 340 Ca 0.04 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 3hw1 n GLY 340 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hw1 s PHE 341 N -3.08 0.30 -0.24 1.61 0.40 -1.20 -1.41 117.98 114.36 3hw1 s PHE 341 Ca 0.09 -0.29 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 3hw1 s PHE 341 Cb 0.16 -0.19 0.00 0.00 0.51 0.00 0.00 43.02 43.50 3hw1 s PHE 341 CO 0.69 -0.08 1.15 -0.47 0.70 0.00 0.00 175.22 177.21 3hw1 s TYR 342 N -0.78 3.05 -0.27 0.36 5.04 0.16 -4.60 117.35 120.31 3hw1 s TYR 342 Ca -0.07 1.18 -0.06 0.00 -2.44 0.00 0.00 57.07 55.68 3hw1 s TYR 342 Cb -0.06 -3.53 -0.00 0.00 0.35 0.00 0.00 41.96 38.72 3hw1 s TYR 342 CO -0.00 -1.09 0.06 0.08 -1.34 0.00 0.00 175.55 173.25 3hw1 s VAL 343 N 3.57 3.94 -0.33 3.14 1.01 -0.82 -1.79 120.40 129.12 3hw1 s VAL 343 Ca 0.49 -0.54 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 3hw1 s VAL 343 Cb -0.17 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3hw1 s VAL 343 CO 0.13 0.20 0.29 -0.69 0.00 0.00 0.00 175.10 175.03 3hw1 s VAL 344 N 1.52 5.24 -0.95 2.92 1.01 -0.47 -0.81 120.40 128.86 3hw1 s VAL 344 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 3hw1 s VAL 344 Cb -0.16 -3.73 0.13 0.00 0.00 0.00 0.00 36.38 32.62 3hw1 s VAL 344 CO 0.02 -0.00 1.14 -0.36 0.00 0.00 0.00 175.10 175.90 3hw1 s PHE 345 N 1.86 3.15 -0.84 5.22 0.08 0.55 -1.35 117.98 126.64 3hw1 s PHE 345 Ca 0.09 -1.44 -0.18 0.00 0.12 0.00 0.00 56.93 55.52 3hw1 s PHE 345 Cb -0.17 -4.28 0.15 0.00 -0.57 0.00 0.00 43.02 38.15 3hw1 s PHE 345 CO 0.11 -1.48 0.97 0.34 -0.10 0.00 0.00 175.22 175.06 3hw1 s ASP 346 N 3.58 6.58 0.03 1.36 2.15 -0.57 -2.37 116.67 127.43 3hw1 s ASP 346 Ca 0.33 -2.07 -0.19 0.00 0.43 0.00 0.00 52.55 51.05 3hw1 s ASP 346 Cb -0.05 -2.34 -0.17 0.00 -0.30 0.00 0.00 42.92 40.07 3hw1 s ASP 346 CO -0.09 -0.96 1.25 0.03 -0.17 0.00 0.00 175.17 175.23 3hw1 h ARG 347 N 8.65 0.42 -0.98 4.34 3.08 -1.76 -0.86 114.38 127.27 3hw1 h ARG 347 Ca 0.06 -0.30 0.27 0.00 0.07 0.00 0.00 59.98 60.08 3hw1 h ARG 347 Cb 1.04 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 31.00 3hw1 h ARG 347 CO 1.02 0.91 0.54 0.00 -1.07 0.00 0.00 179.97 181.37 3hw1 h ALA 348 N 0.51 1.77 -0.32 0.04 0.00 -1.74 0.22 119.26 119.73 3hw1 h ALA 348 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hw1 h ALA 348 Cb 0.93 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hw1 h ALA 348 CO 0.07 -0.39 0.00 0.54 0.00 0.00 0.00 179.25 179.46 3hw1 n ARG 349 N -4.99 3.15 -3.86 0.00 1.74 -1.22 -5.00 116.66 106.48 3hw1 n ARG 349 Ca 0.28 -2.77 -0.37 0.00 -0.77 0.00 0.00 57.85 54.21 3hw1 n ARG 349 Cb 0.81 -1.81 0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3hw1 n ARG 349 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3hw1 n LYS 350 N -0.20 -0.94 -3.62 5.56 4.81 0.06 -4.90 118.16 118.94 3hw1 n LYS 350 Ca 0.21 0.30 -0.09 0.00 -0.87 0.00 0.00 58.31 57.85 3hw1 n LYS 350 Cb 0.86 -3.51 -0.02 0.00 0.02 0.00 0.00 35.03 32.38 3hw1 n LYS 350 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3hw1 s ARG 351 N -6.61 1.41 -0.04 1.64 1.70 -0.40 -2.37 118.95 114.27 3hw1 s ARG 351 Ca 0.45 -0.66 0.03 0.00 -0.47 0.00 0.00 55.73 55.08 3hw1 s ARG 351 Cb -0.20 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3hw1 s ARG 351 CO 0.91 -0.63 -0.12 0.42 -1.08 0.00 0.00 175.30 174.80 3hw1 s ILE 352 N -3.70 1.06 -0.13 4.99 1.01 0.16 -1.52 121.20 123.08 3hw1 s ILE 352 Ca 0.06 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 3hw1 s ILE 352 Cb -0.03 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 3hw1 s ILE 352 CO -0.04 0.32 -0.01 -0.83 0.00 0.00 0.00 174.94 174.38 3hw1 s GLY 353 N 0.23 1.79 -0.17 6.18 0.00 -0.46 0.67 107.32 115.57 3hw1 s GLY 353 Ca -0.05 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3hw1 s GLY 353 CO 0.02 -0.29 -0.20 -1.36 0.00 0.00 0.00 173.10 171.27 3hw1 s PHE 354 N -0.21 2.76 0.17 1.90 0.40 0.77 -1.37 117.98 122.41 3hw1 s PHE 354 Ca 0.05 -1.54 0.04 0.00 -0.60 0.00 0.00 56.93 54.88 3hw1 s PHE 354 Cb -0.13 -1.90 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 3hw1 s PHE 354 CO 0.02 -0.75 -0.08 0.00 0.70 0.00 0.00 175.22 175.12 3hw1 s ALA 355 N 1.18 1.55 0.17 5.36 0.00 -0.74 -1.97 121.76 127.31 3hw1 s ALA 355 Ca 0.02 -1.56 -0.31 0.00 0.00 0.00 0.00 51.96 50.11 3hw1 s ALA 355 Cb -0.14 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 3hw1 s ALA 355 CO -0.10 -0.13 1.48 0.08 0.00 0.00 0.00 175.76 177.09 3hw1 s VAL 356 N -3.34 2.85 0.00 0.00 1.01 -1.23 -0.67 120.40 119.02 3hw1 s VAL 356 Ca 0.20 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 3hw1 s VAL 356 Cb 0.03 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3hw1 s VAL 356 CO 0.03 0.06 1.23 -0.55 0.00 0.00 0.00 175.10 175.87 3hw1 s SER 357 N 0.96 7.03 0.31 3.32 0.15 -0.50 -2.05 113.70 122.93 3hw1 s SER 357 Ca 0.66 1.94 0.21 0.00 0.70 0.00 0.00 55.95 59.47 3hw1 s SER 357 Cb -0.41 -2.57 1.14 0.00 -1.71 0.00 0.00 66.02 62.47 3hw1 s SER 357 CO 0.33 -0.56 1.65 0.00 1.20 0.00 0.00 173.24 175.87 3hw1 n ALA 358 N 4.71 1.09 -0.34 5.45 0.00 -0.55 -1.86 120.51 129.01 3hw1 n ALA 358 Ca 0.10 0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.77 3hw1 n ALA 358 Cb 0.46 -1.32 0.09 0.00 0.00 0.00 0.00 19.45 18.68 3hw1 n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hw1 s HIS 360 N -1.52 3.00 -0.09 0.00 -0.00 -0.78 -4.37 115.29 111.53 3hw1 s HIS 360 Ca 0.16 1.58 -0.25 0.00 -0.00 0.00 0.00 55.06 56.55 3hw1 s HIS 360 Cb 0.12 -3.19 -0.03 0.00 -0.00 0.00 0.00 32.58 29.48 3hw1 s HIS 360 CO 0.06 -1.04 0.80 0.08 -0.00 0.00 0.00 174.74 174.64 3hw1 s VAL 361 N -1.75 4.95 0.06 -5.38 1.01 -1.26 -5.02 120.40 113.01 3hw1 s VAL 361 Ca 0.65 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 64.25 3hw1 s VAL 361 Cb -0.22 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3hw1 s VAL 361 CO 0.27 0.15 0.09 0.00 0.00 0.00 0.00 175.10 175.61 3hw1 n HIS 362 N 4.31 -0.77 -3.61 5.22 -0.00 -1.26 -4.70 115.22 114.40 3hw1 n HIS 362 Ca 0.02 -0.34 0.00 0.00 -0.00 0.00 0.00 57.72 57.40 3hw1 n HIS 362 Cb 0.50 0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 3hw1 n HIS 362 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 3hw1 n ASP 363 N -1.77 1.68 0.16 4.39 5.68 -1.24 -5.04 116.55 120.40 3hw1 n ASP 363 Ca -0.00 -0.61 0.03 0.00 -0.50 0.00 0.00 54.79 53.70 3hw1 n ASP 363 Cb 0.09 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.26 3hw1 n ASP 363 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3hw1 h GLU 364 N 0.00 0.00 0.00 0.11 4.81 -2.05 -3.36 114.58 114.09 3hw1 h GLU 364 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hw1 h GLU 364 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hw1 h GLU 364 CO 0.00 0.51 -1.09 1.19 -0.73 0.00 0.00 179.01 178.88 3hw1 n PHE 365 N -3.47 0.00 -4.25 0.92 3.01 -1.26 -4.98 117.46 107.43 3hw1 n PHE 365 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 3hw1 n PHE 365 Cb 0.62 -0.15 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 3hw1 n PHE 365 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3hw1 s ARG 366 N -2.48 1.12 0.06 -1.08 0.52 -1.26 -5.17 118.95 110.65 3hw1 s ARG 366 Ca -0.01 -1.54 -0.22 0.00 -0.52 0.00 0.00 55.73 53.45 3hw1 s ARG 366 Cb 0.08 -0.32 0.05 0.00 0.52 0.00 0.00 34.95 35.28 3hw1 s ARG 366 CO 0.47 -0.11 0.51 -0.08 0.02 0.00 0.00 175.30 176.11 3hw1 s THR 367 N -3.61 0.03 0.67 0.02 -1.32 -1.26 -3.69 115.64 106.48 3hw1 s THR 367 Ca 0.23 -0.26 -0.16 0.00 -1.21 0.00 0.00 61.69 60.29 3hw1 s THR 367 Cb 0.06 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 70.07 3hw1 s THR 367 CO 0.04 -0.14 1.20 0.00 -2.21 0.00 0.00 174.62 173.51 3hw1 s ALA 368 N -2.59 2.32 0.02 11.08 0.00 -1.26 -4.91 121.76 126.42 3hw1 s ALA 368 Ca -0.04 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.77 3hw1 s ALA 368 Cb -0.01 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 3hw1 s ALA 368 CO -0.03 -1.56 0.12 0.00 0.00 0.00 0.00 175.76 174.30 3hw1 s ALA 369 N -1.84 -0.22 -0.22 0.00 0.00 -0.86 -4.94 121.76 113.68 3hw1 s ALA 369 Ca 0.75 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.36 3hw1 s ALA 369 Cb -0.29 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.08 3hw1 s ALA 369 CO 0.40 -0.27 0.07 0.08 0.00 0.00 0.00 175.76 176.05 3hw1 s VAL 370 N -1.99 0.39 0.07 0.00 1.01 -1.26 -0.88 120.40 117.75 3hw1 s VAL 370 Ca -0.10 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3hw1 s VAL 370 Cb -0.05 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3hw1 s VAL 370 CO -0.01 -0.38 -0.15 -1.61 0.00 0.00 0.00 175.10 172.94 3hw1 s GLU 371 N 1.90 0.88 -0.13 2.72 2.02 -0.68 -4.86 118.70 120.55 3hw1 s GLU 371 Ca 0.03 -0.98 -0.34 0.00 0.02 0.00 0.00 54.97 53.70 3hw1 s GLU 371 Cb -0.17 -0.94 0.15 0.00 0.10 0.00 0.00 34.13 33.27 3hw1 s GLU 371 CO -0.15 0.21 1.40 0.20 0.02 0.00 0.00 175.26 176.93 3hw1 s GLY 372 N -1.74 -0.42 0.58 -1.39 0.00 -1.26 -1.17 107.32 101.93 3hw1 s GLY 372 Ca -0.00 1.14 0.05 0.00 0.00 0.00 0.00 44.72 45.91 3hw1 s GLY 372 CO 0.03 0.28 0.80 2.56 0.00 0.00 0.00 173.10 176.77 3hw1 s PRO 373 N -2.10 2.26 -0.08 2.90 0.04 -1.26 -5.09 135.00 131.67 3hw1 s PRO 373 Ca 0.14 -1.30 -0.01 0.00 0.04 0.00 0.00 61.00 59.87 3hw1 s PRO 373 Cb 0.05 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 32.06 3hw1 s PRO 373 CO -0.05 -0.89 -0.03 -0.06 0.04 0.00 0.00 177.00 176.00 3hw1 s PHE 374 N -2.75 0.99 -0.39 0.56 0.40 0.10 -4.94 117.98 111.95 3hw1 s PHE 374 Ca 0.61 -0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 56.28 3hw1 s PHE 374 Cb -0.07 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.47 3hw1 s PHE 374 CO 0.39 -0.38 2.03 0.08 0.70 0.00 0.00 175.22 178.04 3hw1 s VAL 375 N 1.76 3.25 -0.23 -0.44 1.01 -1.26 -1.54 120.40 122.95 3hw1 s VAL 375 Ca 0.03 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3hw1 s VAL 375 Cb -0.13 -3.43 0.06 0.00 0.00 0.00 0.00 36.38 32.89 3hw1 s VAL 375 CO -0.06 -0.33 -0.04 -0.89 0.00 0.00 0.00 175.10 173.77 3hw1 s THR 376 N 8.70 1.43 0.36 3.92 2.01 -0.94 -4.98 115.64 126.13 3hw1 s THR 376 Ca 0.86 -1.16 -0.24 0.00 0.31 0.00 0.00 61.69 61.46 3hw1 s THR 376 Cb -0.22 -1.72 -0.10 0.00 0.01 0.00 0.00 72.50 70.47 3hw1 s THR 376 CO 0.30 -0.11 0.93 -0.76 -0.69 0.00 0.00 174.62 174.29 3hw1 s LEU 377 N 1.44 4.19 -0.25 4.42 1.43 -1.26 -4.15 118.68 124.50 3hw1 s LEU 377 Ca -0.05 1.75 -0.01 0.00 -1.03 0.00 0.00 54.13 54.78 3hw1 s LEU 377 Cb -0.19 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.86 3hw1 s LEU 377 CO -0.06 -0.17 0.04 0.47 0.23 0.00 0.00 176.35 176.86 3hw1 n ASP 378 N 0.12 -7.69 -0.00 2.29 8.00 -1.26 -5.00 116.55 113.01 3hw1 n ASP 378 Ca 0.04 1.15 0.04 0.00 0.71 0.00 0.00 54.79 56.72 3hw1 n ASP 378 Cb 0.52 -4.49 -0.05 0.00 -0.02 0.00 0.00 41.12 37.08 3hw1 n ASP 378 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3hw1 n MET 379 N 0.77 1.58 0.07 -1.24 2.81 -1.26 -4.59 117.12 115.26 3hw1 n MET 379 Ca 0.00 -0.05 0.12 0.00 -1.81 0.00 0.00 57.70 55.97 3hw1 n MET 379 Cb 0.14 -1.07 0.27 0.00 -0.71 0.00 0.00 33.22 31.85 3hw1 n MET 379 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hw1 n GLU 380 N -1.58 0.25 0.00 0.03 4.71 -1.26 -2.81 120.64 119.99 3hw1 n GLU 380 Ca -0.01 0.12 0.10 0.00 -0.01 0.00 0.00 57.16 57.36 3hw1 n GLU 380 Cb 0.17 -1.71 0.46 0.00 -1.01 0.00 0.00 31.44 29.35 3hw1 n GLU 380 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3hw1 n ASP 381 N -2.10 0.00 0.08 1.62 9.92 -1.26 -2.91 116.55 121.90 3hw1 n ASP 381 Ca 0.04 0.42 -0.14 0.00 -0.53 0.00 0.00 54.79 54.58 3hw1 n ASP 381 Cb 0.43 -0.47 -0.14 0.00 -0.64 0.00 0.00 41.12 40.30 3hw1 n ASP 381 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hw1 n GLY 383 N 1.53 1.54 3.56 0.00 0.00 -1.15 -4.09 105.19 106.60 3hw1 n GLY 383 Ca -0.09 0.84 -0.39 0.00 0.00 0.00 0.00 46.02 46.37 3hw1 n GLY 383 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hw1 s TYR 384 N 5.04 1.61 -2.46 1.61 5.04 -1.26 -5.04 117.35 121.88 3hw1 s TYR 384 Ca 0.93 0.86 0.28 0.00 -2.44 0.00 0.00 57.07 56.70 3hw1 s TYR 384 Cb -0.53 -4.02 1.13 0.00 0.35 0.00 0.00 41.96 38.88 3hw1 s TYR 384 CO 0.45 -2.53 1.79 0.09 -1.34 0.00 0.00 175.55 174.01