#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw1 s SER -2 N 0.00 2.35 -0.33 1.61 0.15 -1.26 -3.64 113.70 112.58 3hw1 s SER -2 Ca 0.00 -0.41 0.17 0.00 0.70 0.00 0.00 55.95 56.40 3hw1 s SER -2 Cb 0.00 -1.05 0.44 0.00 -1.71 0.00 0.00 66.02 63.70 3hw1 s SER -2 CO 0.00 0.10 0.93 0.49 1.20 0.00 0.00 173.24 175.96 3hw1 n PHE -1 N 3.64 1.16 -0.03 3.44 3.01 -1.26 -4.99 117.46 122.42 3hw1 n PHE -1 Ca -0.21 -2.94 0.09 0.00 1.01 0.00 0.00 57.45 55.40 3hw1 n PHE -1 Cb 0.52 -0.37 0.48 0.00 -0.01 0.00 0.00 39.48 40.10 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 2.74 0.98 -0.98 -4.37 -1.51 -1.97 -1.50 116.25 109.63 3hw1 h VAL 0 Ca -0.06 -0.15 0.31 0.00 -1.23 0.00 0.00 66.70 65.57 3hw1 h VAL 0 Cb 1.14 0.50 -0.18 0.00 -2.13 0.00 0.00 31.29 30.62 3hw1 h VAL 0 CO 0.52 0.08 0.17 -0.33 -1.23 0.00 0.00 177.57 176.78 3hw1 h GLU 1 N 0.44 0.02 0.00 5.19 4.39 -1.95 -3.14 114.58 119.52 3hw1 h GLU 1 Ca 0.22 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 3hw1 h GLU 1 Cb 0.29 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3hw1 h GLU 1 CO -0.06 0.02 -1.24 -1.33 -1.16 0.00 0.00 179.01 175.24 3hw1 n MET 2 N -5.41 0.62 -1.68 2.33 2.81 -0.58 -4.64 117.12 110.57 3hw1 n MET 2 Ca 0.27 0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.82 3hw1 n MET 2 Cb 0.89 -1.78 -0.01 0.00 -0.71 0.00 0.00 33.22 31.61 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 -2.66 1.94 -2.30 2.03 0.31 -1.16 -2.21 118.33 114.29 3hw1 n VAL 3 Ca -0.03 -0.49 -0.20 0.00 -0.01 0.00 0.00 64.34 63.62 3hw1 n VAL 3 Cb 0.61 -1.49 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 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 0.90 -5.70 -0.28 4.52 2.03 -1.25 -4.87 116.55 111.90 3hw1 n ASP 4 Ca 0.06 0.03 0.14 0.00 0.52 0.00 0.00 54.79 55.55 3hw1 n ASP 4 Cb 0.35 -4.75 0.68 0.00 -0.72 0.00 0.00 41.12 36.69 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 -1.77 0.88 -4.62 1.67 6.94 -0.94 -4.80 115.26 112.61 3hw1 n ASN 5 Ca -0.23 -1.31 -0.32 0.00 -0.02 0.00 0.00 54.58 52.69 3hw1 n ASN 5 Cb 0.68 -0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 38.00 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 -1.97 3.27 0.32 -4.53 1.43 0.20 -4.34 118.68 113.06 3hw1 s LEU 6 Ca 0.41 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3hw1 s LEU 6 Cb 0.21 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 3hw1 s LEU 6 CO 0.34 0.27 0.16 -0.13 0.23 0.00 0.00 176.35 177.22 3hw1 s ARG 7 N -1.56 1.65 0.00 1.70 1.81 -0.96 -1.80 118.95 119.79 3hw1 s ARG 7 Ca 0.19 -1.95 0.00 0.00 -1.72 0.00 0.00 55.73 52.24 3hw1 s ARG 7 Cb -0.11 -0.16 0.00 0.00 -0.45 0.00 0.00 34.95 34.22 3hw1 s ARG 7 CO 0.09 -0.46 0.00 0.41 -0.68 0.00 0.00 175.30 174.67 3hw1 n GLY 8 N -0.63 3.59 3.89 -3.53 0.00 -1.26 -0.59 105.19 106.66 3hw1 n GLY 8 Ca 0.00 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 3hw1 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw1 s LYS 9 N -1.62 2.68 -0.11 1.61 -0.14 -1.25 -4.38 119.74 116.53 3hw1 s LYS 9 Ca 0.00 0.35 -0.30 0.00 -1.36 0.00 0.00 55.97 54.66 3hw1 s LYS 9 Cb 0.00 -2.03 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 3hw1 s LYS 9 CO 0.00 -1.12 1.18 0.45 -0.76 0.00 0.00 175.35 175.10 3hw1 s SER 10 N -4.40 7.04 0.00 2.83 0.15 -1.26 -2.81 113.70 115.25 3hw1 s SER 10 Ca 0.59 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.95 3hw1 s SER 10 Cb -0.11 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 3hw1 s SER 10 CO 0.51 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3hw1 n GLY 11 N 3.40 0.79 1.83 9.45 0.00 -1.26 -4.89 105.19 114.51 3hw1 n GLY 11 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.40 2.76 -1.02 1.61 6.02 -1.12 -4.89 117.38 118.33 3hw1 n GLN 12 Ca 0.00 -3.80 0.14 0.00 -0.01 0.00 0.00 57.00 53.33 3hw1 n GLN 12 Cb 0.00 -1.94 -0.04 0.00 1.02 0.00 0.00 30.24 29.28 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 -0.72 -2.00 3.23 1.08 0.00 -1.26 -4.53 105.19 100.99 3hw1 n GLY 13 Ca 0.32 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.27 2.67 0.40 1.61 1.51 -1.26 -3.96 117.35 116.05 3hw1 s TYR 14 Ca 0.00 -1.11 0.08 0.00 -1.01 0.00 0.00 57.07 55.03 3hw1 s TYR 14 Cb 0.00 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 3hw1 s TYR 14 CO 0.00 -0.48 0.24 1.52 -1.11 0.00 0.00 175.55 175.72 3hw1 s TYR 15 N 0.60 2.66 0.03 2.71 -0.85 0.24 -0.43 117.35 122.31 3hw1 s TYR 15 Ca -0.11 -0.52 -0.04 0.00 -0.52 0.00 0.00 57.07 55.87 3hw1 s TYR 15 Cb -0.16 -1.98 -0.02 0.00 0.38 0.00 0.00 41.96 40.18 3hw1 s TYR 15 CO 0.03 0.11 0.06 0.54 -1.52 0.00 0.00 175.55 174.77 3hw1 s VAL 16 N -2.53 0.13 -0.11 -3.49 0.11 0.66 -2.26 120.40 112.91 3hw1 s VAL 16 Ca 0.43 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.11 3hw1 s VAL 16 Cb 0.01 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 3hw1 s VAL 16 CO 0.24 -0.61 0.87 -0.70 -3.33 0.00 0.00 175.10 171.57 3hw1 s GLU 17 N -2.41 4.40 0.03 1.54 2.12 -1.26 -0.30 118.70 122.82 3hw1 s GLU 17 Ca -0.07 1.14 0.01 0.00 0.36 0.00 0.00 54.97 56.41 3hw1 s GLU 17 Cb -0.03 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 3hw1 s GLU 17 CO -0.04 -0.20 -0.05 -1.64 -0.54 0.00 0.00 175.26 172.79 3hw1 s MET 18 N 1.66 0.42 0.03 4.30 -1.94 -0.86 -4.05 119.30 118.85 3hw1 s MET 18 Ca 0.43 -0.70 0.07 0.00 -1.71 0.00 0.00 55.69 53.78 3hw1 s MET 18 Cb -0.18 -0.08 -0.03 0.00 2.01 0.00 0.00 34.83 36.56 3hw1 s MET 18 CO 0.17 -0.01 -0.20 0.95 -0.01 0.00 0.00 175.02 175.93 3hw1 s THR 19 N -1.51 2.66 0.01 2.05 -4.23 0.46 -1.13 115.64 113.95 3hw1 s THR 19 Ca -0.12 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 3hw1 s THR 19 Cb -0.09 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 3hw1 s THR 19 CO -0.01 0.38 -0.08 0.68 -0.54 0.00 0.00 174.62 175.05 3hw1 s VAL 20 N -0.87 0.63 0.00 2.29 -7.23 -0.49 -1.51 120.40 113.23 3hw1 s VAL 20 Ca 0.14 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.76 3hw1 s VAL 20 Cb -0.10 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.26 3hw1 s VAL 20 CO 0.04 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 3hw1 n GLY 21 N 2.49 -0.75 2.79 2.32 0.00 -0.67 -0.27 105.19 111.10 3hw1 n GLY 21 Ca -0.16 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.84 3.13 0.87 1.61 0.01 -1.26 -3.12 113.70 112.10 3hw1 s SER 22 Ca 0.00 -0.90 -0.11 0.00 1.31 0.00 0.00 55.95 56.24 3hw1 s SER 22 Cb 0.00 -0.74 0.11 0.00 0.21 0.00 0.00 66.02 65.61 3hw1 s SER 22 CO 0.00 -0.29 1.09 -2.16 0.41 0.00 0.00 173.24 172.30 3hw1 s PRO 23 N 1.75 1.48 0.16 12.44 0.04 -1.26 -1.52 135.00 148.09 3hw1 s PRO 23 Ca -0.02 0.78 -0.31 0.00 0.04 0.00 0.00 61.00 61.49 3hw1 s PRO 23 Cb -0.17 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 3hw1 s PRO 23 CO -0.07 -2.08 1.50 -2.14 0.04 0.00 0.00 177.00 174.25 3hw1 s PRO 24 N -4.99 4.25 -0.32 0.56 0.02 -1.18 -4.92 135.00 128.41 3hw1 s PRO 24 Ca 0.63 2.28 -0.07 0.00 0.02 0.00 0.00 61.00 63.85 3hw1 s PRO 24 Cb -0.17 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.20 3hw1 s PRO 24 CO 0.56 -0.54 0.11 -0.65 -0.33 0.00 0.00 177.00 176.16 3hw1 s GLN 25 N 0.91 2.88 0.26 5.54 -0.21 0.63 -4.88 119.66 124.80 3hw1 s GLN 25 Ca 0.67 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.75 3hw1 s GLN 25 Cb -0.42 -3.46 -0.09 0.00 1.00 0.00 0.00 33.01 30.04 3hw1 s GLN 25 CO 0.33 -0.56 1.03 0.99 -2.12 0.00 0.00 175.29 174.96 3hw1 s THR 26 N 1.47 3.73 -0.02 -0.19 2.01 -1.26 -1.39 115.64 119.99 3hw1 s THR 26 Ca 0.01 1.74 -0.14 0.00 0.31 0.00 0.00 61.69 63.61 3hw1 s THR 26 Cb -0.18 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.24 3hw1 s THR 26 CO 0.03 0.41 0.30 -0.76 -0.69 0.00 0.00 174.62 173.91 3hw1 s LEU 27 N -1.35 0.91 -0.24 4.42 1.43 -0.29 -4.92 118.68 118.64 3hw1 s LEU 27 Ca 0.43 0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.48 3hw1 s LEU 27 Cb -0.29 1.20 -0.04 0.00 0.03 0.00 0.00 46.19 47.09 3hw1 s LEU 27 CO 0.37 -0.42 0.40 0.20 0.23 0.00 0.00 176.35 177.14 3hw1 s ASN 28 N -1.22 6.34 -0.16 2.29 0.02 -1.26 -2.04 114.94 118.91 3hw1 s ASN 28 Ca -0.13 0.40 0.01 0.00 -1.02 0.00 0.00 52.86 52.12 3hw1 s ASN 28 Cb -0.05 -2.23 0.01 0.00 0.02 0.00 0.00 41.25 39.00 3hw1 s ASN 28 CO 0.04 -0.16 -0.18 -0.63 0.02 0.00 0.00 177.10 176.19 3hw1 s ILE 29 N 1.82 2.38 0.33 0.60 -1.09 0.59 0.42 121.20 126.26 3hw1 s ILE 29 Ca 0.17 -0.86 -0.29 0.00 -2.23 0.00 0.00 60.65 57.45 3hw1 s ILE 29 Cb -0.15 -2.00 -0.12 0.00 -1.58 0.00 0.00 42.46 38.61 3hw1 s ILE 29 CO 0.09 0.52 1.43 -0.11 -1.23 0.00 0.00 174.94 175.65 3hw1 n LEU 30 N 4.26 4.11 -4.49 2.97 7.94 -0.09 -0.25 117.00 131.46 3hw1 n LEU 30 Ca -0.20 1.20 -0.42 0.00 -1.11 0.00 0.00 56.01 55.48 3hw1 n LEU 30 Cb 0.51 -1.55 -0.09 0.00 0.53 0.00 0.00 43.42 42.82 3hw1 n LEU 30 CO 0.27 -0.13 0.04 -0.69 -1.11 0.00 0.00 177.39 175.77 3hw1 s VAL 31 N -0.79 5.16 -0.29 1.96 1.01 0.43 -0.59 120.40 127.29 3hw1 s VAL 31 Ca 0.58 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3hw1 s VAL 31 Cb -0.53 -3.96 0.09 0.00 0.00 0.00 0.00 36.38 31.98 3hw1 s VAL 31 CO 0.59 -0.32 0.05 -0.62 0.00 0.00 0.00 175.10 174.80 3hw1 s ASP 32 N 1.76 4.03 0.00 3.32 2.15 -1.01 -3.96 116.67 122.96 3hw1 s ASP 32 Ca 0.10 -1.56 0.12 0.00 0.43 0.00 0.00 52.55 51.64 3hw1 s ASP 32 Cb -0.17 -1.07 0.49 0.00 -0.30 0.00 0.00 42.92 41.87 3hw1 s ASP 32 CO 0.12 -0.36 1.35 0.35 -0.17 0.00 0.00 175.17 176.47 3hw1 n THR 33 N 4.70 0.23 -0.11 1.71 -2.24 -1.26 -0.75 114.28 116.56 3hw1 n THR 33 Ca -0.04 -0.26 0.10 0.00 -2.27 0.00 0.00 64.05 61.58 3hw1 n THR 33 Cb 0.43 0.14 0.24 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.92 2.22 3.26 3.38 0.00 -1.26 -4.39 105.19 109.30 3hw1 n GLY 34 Ca 0.11 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3hw1 n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hw1 s SER 35 N -1.12 0.14 0.00 1.61 1.04 -1.24 -5.00 113.70 109.13 3hw1 s SER 35 Ca 0.38 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3hw1 s SER 35 Cb 0.21 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3hw1 s SER 35 CO 0.28 -0.86 0.78 -1.20 0.98 0.00 0.00 173.24 173.21 3hw1 n SER 36 N -0.24 1.25 -4.73 7.02 7.64 -1.26 -1.61 113.62 121.68 3hw1 n SER 36 Ca -0.01 -1.59 -0.35 0.00 1.01 0.00 0.00 58.87 57.93 3hw1 n SER 36 Cb 0.65 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.59 5.92 -0.70 6.43 -0.87 -1.26 -4.37 114.94 119.50 3hw1 s ASN 37 Ca 0.00 0.23 -0.24 0.00 -1.57 0.00 0.00 52.86 51.28 3hw1 s ASN 37 Cb 0.00 -1.96 0.06 0.00 -0.02 0.00 0.00 41.25 39.33 3hw1 s ASN 37 CO 0.00 0.26 1.06 0.12 -2.57 0.00 0.00 177.10 175.97 3hw1 s PHE 38 N -0.16 2.58 0.03 2.20 5.36 -1.26 -1.53 117.98 125.20 3hw1 s PHE 38 Ca 0.09 -0.45 0.07 0.00 -0.96 0.00 0.00 56.93 55.67 3hw1 s PHE 38 Cb -0.12 -4.39 -0.03 0.00 -0.34 0.00 0.00 43.02 38.14 3hw1 s PHE 38 CO 0.01 -1.76 -0.18 0.00 -1.46 0.00 0.00 175.22 171.83 3hw1 s ALA 39 N 4.47 2.60 0.04 11.12 0.00 -0.67 -1.48 121.76 137.83 3hw1 s ALA 39 Ca 0.26 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.07 3hw1 s ALA 39 Cb -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3hw1 s ALA 39 CO 0.10 0.57 -0.06 0.14 0.00 0.00 0.00 175.76 176.51 3hw1 s VAL 40 N -0.90 0.39 0.29 0.00 -7.23 0.09 0.42 120.40 113.46 3hw1 s VAL 40 Ca 0.14 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 3hw1 s VAL 40 Cb -0.10 -0.54 -0.10 0.00 0.56 0.00 0.00 36.38 36.19 3hw1 s VAL 40 CO 0.05 -0.45 1.45 -0.83 -0.31 0.00 0.00 175.10 175.01 3hw1 s GLY 41 N -1.61 2.47 -0.04 2.32 0.00 0.07 -0.09 107.32 110.45 3hw1 s GLY 41 Ca -0.11 1.39 0.11 0.00 0.00 0.00 0.00 44.72 46.11 3hw1 s GLY 41 CO -0.00 2.27 1.09 0.00 0.00 0.00 0.00 173.10 176.45 3hw1 n ALA 42 N 1.82 2.28 -3.49 3.20 0.00 -0.73 -0.17 120.51 123.41 3hw1 n ALA 42 Ca 0.05 -1.82 -0.09 0.00 0.00 0.00 0.00 53.44 51.58 3hw1 n ALA 42 Cb 0.40 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.74 -1.09 0.33 0.00 0.00 -1.25 -4.77 121.76 114.24 3hw1 s ALA 43 Ca 0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 3hw1 s ALA 43 Cb 0.18 0.88 -0.10 0.00 0.00 0.00 0.00 23.12 24.07 3hw1 s ALA 43 CO -0.05 -0.88 1.31 -1.25 0.00 0.00 0.00 175.76 174.90 3hw1 s PRO 44 N -3.88 4.35 -0.21 0.00 0.04 -1.26 -4.91 135.00 129.14 3hw1 s PRO 44 Ca 0.09 2.22 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 3hw1 s PRO 44 Cb -0.03 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.50 3hw1 s PRO 44 CO -0.00 -0.20 0.54 -1.58 0.04 0.00 0.00 177.00 175.79 3hw1 s HIS 45 N -1.09 -0.63 0.19 0.56 2.46 -1.26 -5.07 115.29 110.46 3hw1 s HIS 45 Ca 0.49 1.49 -0.18 0.00 0.47 0.00 0.00 55.06 57.33 3hw1 s HIS 45 Cb -0.40 0.25 0.17 0.00 -0.13 0.00 0.00 32.58 32.46 3hw1 s HIS 45 CO 0.53 -0.31 1.60 -1.35 -2.47 0.00 0.00 174.74 172.74 3hw1 h PRO 46 N 5.64 -0.11 0.00 2.88 0.11 -2.01 -2.00 132.00 136.52 3hw1 h PRO 46 Ca -0.29 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3hw1 h PRO 46 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hw1 h PRO 46 CO 0.18 -0.07 -0.02 0.74 -0.21 0.00 0.00 178.00 178.62 3hw1 h PHE 47 N -0.11 0.00 -4.18 0.65 0.05 -1.93 -3.43 116.94 107.99 3hw1 h PHE 47 Ca 0.26 0.00 -0.46 0.00 3.82 0.00 0.00 57.97 61.59 3hw1 h PHE 47 Cb 0.52 0.00 0.14 0.00 2.00 0.00 0.00 35.95 38.61 3hw1 h PHE 47 CO -0.58 0.00 0.30 -0.51 -0.18 0.00 0.00 178.31 177.34 3hw1 s LEU 48 N -6.09 1.97 0.00 1.54 1.43 -0.75 -4.58 118.68 112.20 3hw1 s LEU 48 Ca 0.07 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 3hw1 s LEU 48 Cb 0.06 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.10 3hw1 s LEU 48 CO 0.67 -2.66 0.00 1.41 0.23 0.00 0.00 176.35 176.00 3hw1 n HIS 49 N -3.83 -0.18 -3.90 0.29 8.25 -1.26 -4.75 115.22 109.84 3hw1 n HIS 49 Ca 0.07 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 3hw1 n HIS 49 Cb 0.59 0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.80 3hw1 n HIS 49 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3hw1 s ARG 50 N -1.26 2.95 0.16 -0.41 1.70 -1.26 -5.03 118.95 115.79 3hw1 s ARG 50 Ca 0.00 -1.10 -0.24 0.00 -0.47 0.00 0.00 55.73 53.92 3hw1 s ARG 50 Cb 0.00 -2.61 0.06 0.00 -0.57 0.00 0.00 34.95 31.83 3hw1 s ARG 50 CO 0.00 0.25 0.82 1.52 -1.08 0.00 0.00 175.30 176.81 3hw1 s TYR 51 N -2.18 -0.25 0.09 5.89 -0.85 -1.26 -4.93 117.35 113.85 3hw1 s TYR 51 Ca 0.38 -0.05 -0.31 0.00 -0.52 0.00 0.00 57.07 56.57 3hw1 s TYR 51 Cb -0.07 0.63 -0.07 0.00 0.38 0.00 0.00 41.96 42.82 3hw1 s TYR 51 CO 0.27 -0.89 1.39 -0.47 -1.52 0.00 0.00 175.55 174.33 3hw1 s TYR 52 N -3.50 3.13 -0.66 -3.49 5.04 0.75 -4.94 117.35 113.68 3hw1 s TYR 52 Ca 0.09 0.91 0.02 0.00 -2.44 0.00 0.00 57.07 55.65 3hw1 s TYR 52 Cb -0.02 -3.68 0.16 0.00 0.35 0.00 0.00 41.96 38.77 3hw1 s TYR 52 CO -0.01 -2.41 0.46 -0.65 -1.34 0.00 0.00 175.55 171.59 3hw1 s GLN 53 N 1.45 2.47 0.39 4.97 -0.21 -1.26 -4.36 119.66 123.11 3hw1 s GLN 53 Ca 0.65 -2.94 0.09 0.00 0.02 0.00 0.00 55.36 53.18 3hw1 s GLN 53 Cb -0.35 -3.55 0.87 0.00 1.00 0.00 0.00 33.01 30.98 3hw1 s GLN 53 CO 0.29 -1.20 1.96 0.00 -2.12 0.00 0.00 175.29 174.22 3hw1 h ARG 54 N 6.18 0.59 0.00 2.91 3.08 -1.94 0.48 114.38 125.69 3hw1 h ARG 54 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3hw1 h ARG 54 Cb 0.85 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3hw1 h ARG 54 CO 0.73 0.39 0.00 0.00 -1.07 0.00 0.00 179.97 180.02 3hw1 n GLN 55 N -4.48 0.22 0.00 0.04 0.00 -1.26 -2.19 117.38 109.71 3hw1 n GLN 55 Ca 0.11 0.14 0.10 0.00 0.00 0.00 0.00 57.00 57.35 3hw1 n GLN 55 Cb 0.31 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.06 3hw1 n GLN 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3hw1 n LEU 56 N -1.28 2.06 -4.57 2.61 4.77 0.16 -4.93 117.00 115.82 3hw1 n LEU 56 Ca 0.07 -0.79 -0.38 0.00 -0.03 0.00 0.00 56.01 54.88 3hw1 n LEU 56 Cb 0.12 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 3hw1 n LEU 56 CO 0.12 0.38 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.82 3hw1 s SER 57 N -2.27 5.89 0.11 -1.43 0.15 -0.93 -4.39 113.70 110.83 3hw1 s SER 57 Ca 0.18 -0.03 0.20 0.00 0.70 0.00 0.00 55.95 57.00 3hw1 s SER 57 Cb 0.17 -2.09 0.82 0.00 -1.71 0.00 0.00 66.02 63.21 3hw1 s SER 57 CO 0.50 -0.04 1.62 -1.54 1.20 0.00 0.00 173.24 174.97 3hw1 n SER 58 N 4.99 0.30 -0.41 5.45 3.41 -0.57 -2.91 113.62 123.88 3hw1 n SER 58 Ca -0.14 0.57 0.06 0.00 -0.26 0.00 0.00 58.87 59.09 3hw1 n SER 58 Cb 0.52 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.87 3hw1 n SER 58 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hw1 n THR 59 N -1.83 0.00 -1.95 6.66 -2.24 -1.26 -5.00 114.28 108.66 3hw1 n THR 59 Ca 0.03 -0.45 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 3hw1 n THR 59 Cb 0.22 1.21 0.02 0.00 -2.10 0.00 0.00 70.33 69.68 3hw1 n THR 59 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hw1 s TYR 60 N -1.22 2.55 -0.03 4.78 5.04 -1.15 -4.47 117.35 122.85 3hw1 s TYR 60 Ca 0.13 1.41 -0.00 0.00 -2.44 0.00 0.00 57.07 56.16 3hw1 s TYR 60 Cb 0.10 -3.68 0.03 0.00 0.35 0.00 0.00 41.96 38.76 3hw1 s TYR 60 CO 0.21 -2.40 0.04 1.03 -1.34 0.00 0.00 175.55 173.09 3hw1 s ARG 61 N -2.69 -0.03 -0.19 4.97 0.52 -0.49 -4.99 118.95 116.04 3hw1 s ARG 61 Ca 0.66 0.23 -0.24 0.00 -0.52 0.00 0.00 55.73 55.86 3hw1 s ARG 61 Cb -0.37 -0.28 -0.02 0.00 0.52 0.00 0.00 34.95 34.80 3hw1 s ARG 61 CO 0.45 -0.19 0.77 0.34 0.02 0.00 0.00 175.30 176.69 3hw1 s ASP 62 N 1.24 6.86 0.00 0.23 -1.08 -1.26 -0.58 116.67 122.07 3hw1 s ASP 62 Ca -0.07 1.05 0.24 0.00 -0.52 0.00 0.00 52.55 53.25 3hw1 s ASP 62 Cb -0.13 -2.42 1.28 0.00 -1.46 0.00 0.00 42.92 40.20 3hw1 s ASP 62 CO -0.03 -0.37 1.84 0.18 0.52 0.00 0.00 175.17 177.31 3hw1 n LEU 63 N 5.26 0.41 -4.13 -1.34 4.77 -0.97 -4.94 117.00 116.06 3hw1 n LEU 63 Ca 0.03 -0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.53 3hw1 n LEU 63 Cb 0.49 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3hw1 n LEU 63 CO 0.47 0.08 -0.33 0.54 -1.33 0.00 0.00 177.39 176.82 3hw1 n ARG 64 N -0.58 -1.47 -3.65 3.23 1.74 -1.26 -4.94 116.66 109.73 3hw1 n ARG 64 Ca 0.18 0.20 -0.04 0.00 -0.77 0.00 0.00 57.85 57.42 3hw1 n ARG 64 Cb 0.15 -3.68 -0.06 0.00 -1.02 0.00 0.00 32.46 27.85 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 -7.08 0.57 0.84 5.56 2.47 -1.26 -5.06 119.74 115.78 3hw1 s LYS 65 Ca 0.12 1.33 -0.12 0.00 -1.56 0.00 0.00 55.97 55.74 3hw1 s LYS 65 Cb -0.06 0.62 0.10 0.00 -1.46 0.00 0.00 37.83 37.02 3hw1 s LYS 65 CO 0.96 -0.19 1.13 0.20 0.16 0.00 0.00 175.35 177.61 3hw1 s GLY 66 N 2.53 1.59 -0.11 5.54 0.00 -1.26 -0.82 107.32 114.78 3hw1 s GLY 66 Ca -0.07 -0.46 -0.10 0.00 0.00 0.00 0.00 44.72 44.09 3hw1 s GLY 66 CO -0.18 0.03 0.30 0.54 0.00 0.00 0.00 173.10 173.79 3hw1 s VAL 67 N -3.33 -0.00 -0.15 1.40 0.11 0.13 -4.74 120.40 113.81 3hw1 s VAL 67 Ca 0.62 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.67 3hw1 s VAL 67 Cb -0.13 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3hw1 s VAL 67 CO 0.52 0.00 -0.07 -0.47 -3.33 0.00 0.00 175.10 171.76 3hw1 s TYR 68 N 0.20 1.69 -0.51 1.54 5.04 -1.26 -0.99 117.35 123.07 3hw1 s TYR 68 Ca -0.00 -1.02 -0.01 0.00 -2.44 0.00 0.00 57.07 53.60 3hw1 s TYR 68 Cb -0.02 -1.32 0.13 0.00 0.35 0.00 0.00 41.96 41.10 3hw1 s TYR 68 CO -0.00 -0.60 0.29 0.08 -1.34 0.00 0.00 175.55 173.99 3hw1 s VAL 69 N 1.64 3.21 0.72 3.14 1.01 0.83 -4.97 120.40 125.98 3hw1 s VAL 69 Ca 0.02 -2.70 -0.11 0.00 0.00 0.00 0.00 61.98 59.19 3hw1 s VAL 69 Cb -0.14 -3.17 0.03 0.00 0.00 0.00 0.00 36.38 33.09 3hw1 s VAL 69 CO -0.08 -0.78 1.10 -2.16 0.00 0.00 0.00 175.10 173.18 3hw1 s PRO 70 N 0.35 2.64 0.00 2.72 0.04 -1.26 -0.92 135.00 138.57 3hw1 s PRO 70 Ca 0.14 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.51 3hw1 s PRO 70 Cb -0.22 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3hw1 s PRO 70 CO -0.04 -1.15 0.00 2.48 0.04 0.00 0.00 177.00 178.33 3hw1 n TYR 71 N -3.05 -0.50 -0.03 0.56 4.11 -0.82 -4.94 117.16 112.48 3hw1 n TYR 71 Ca 0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.91 3hw1 n TYR 71 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.88 3hw1 n TYR 71 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.86 178.01 3hw1 h THR 72 N 0.67 0.00 -0.74 -3.48 2.02 -2.02 -3.31 112.91 106.04 3hw1 h THR 72 Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 3hw1 h THR 72 Cb 0.00 0.00 -0.42 0.00 -1.74 0.00 0.00 68.15 65.99 3hw1 h THR 72 CO 0.00 0.00 -0.88 1.67 0.37 0.00 0.00 175.52 176.68 3hw1 n GLN 73 N -3.71 3.23 -3.43 6.66 7.27 -1.26 -5.07 117.38 121.07 3hw1 n GLN 73 Ca -0.02 -4.06 0.00 0.00 0.07 0.00 0.00 57.00 53.00 3hw1 n GLN 73 Cb 0.14 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 30.65 3hw1 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hw1 n GLY 74 N -0.67 -1.01 3.54 1.69 0.00 -1.25 -4.81 105.19 102.68 3hw1 n GLY 74 Ca 0.36 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 3hw1 n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hw1 s LYS 75 N -0.86 0.97 0.14 1.61 1.02 -1.06 -1.94 119.74 119.62 3hw1 s LYS 75 Ca 0.00 0.46 0.04 0.00 0.02 0.00 0.00 55.97 56.50 3hw1 s LYS 75 Cb 0.00 0.46 -0.04 0.00 -0.52 0.00 0.00 37.83 37.73 3hw1 s LYS 75 CO 0.00 -0.25 -0.10 1.67 -0.92 0.00 0.00 175.35 175.75 3hw1 s TRP 76 N -0.72 1.20 -0.13 3.18 1.48 -0.09 -2.26 118.94 121.60 3hw1 s TRP 76 Ca -0.08 -0.78 -0.14 0.00 -1.06 0.00 0.00 56.10 54.04 3hw1 s TRP 76 Cb -0.02 -0.62 0.04 0.00 -1.16 0.00 0.00 33.47 31.71 3hw1 s TRP 76 CO 0.07 0.05 0.39 -2.00 -4.06 0.00 0.00 176.95 171.39 3hw1 s GLU 77 N -3.74 0.49 -0.03 3.25 2.12 -0.93 -0.12 118.70 119.75 3hw1 s GLU 77 Ca 0.16 0.45 -0.24 0.00 0.36 0.00 0.00 54.97 55.70 3hw1 s GLU 77 Cb 0.03 0.24 0.08 0.00 0.26 0.00 0.00 34.13 34.73 3hw1 s GLU 77 CO -0.00 -0.08 1.06 0.41 -0.54 0.00 0.00 175.26 176.11 3hw1 n GLY 78 N 2.63 0.26 3.59 -1.50 0.00 -0.16 -0.71 105.19 109.31 3hw1 n GLY 78 Ca -0.14 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.01 3.90 0.42 1.61 2.02 0.09 0.17 118.70 124.91 3hw1 s GLU 79 Ca 0.25 -0.38 -0.24 0.00 0.02 0.00 0.00 54.97 54.63 3hw1 s GLU 79 Cb -0.01 -3.24 -0.08 0.00 0.10 0.00 0.00 34.13 30.90 3hw1 s GLU 79 CO -0.01 0.17 1.10 -0.51 0.02 0.00 0.00 175.26 176.03 3hw1 s LEU 80 N 0.65 4.10 0.00 1.80 1.43 -0.00 -1.55 118.68 125.11 3hw1 s LEU 80 Ca 0.03 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.18 3hw1 s LEU 80 Cb -0.13 -4.19 0.04 0.00 0.03 0.00 0.00 46.19 41.94 3hw1 s LEU 80 CO 0.02 -0.66 0.53 0.61 0.23 0.00 0.00 176.35 177.08 3hw1 n GLY 81 N 0.40 1.01 3.12 -3.19 0.00 -0.70 -2.29 105.19 103.54 3hw1 n GLY 81 Ca 0.06 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.33 0.49 -0.11 2.61 -4.23 0.25 -0.63 115.64 111.70 3hw1 s THR 82 Ca 0.12 -1.78 -0.32 0.00 -1.18 0.00 0.00 61.69 58.53 3hw1 s THR 82 Cb -0.02 -1.48 0.12 0.00 1.34 0.00 0.00 72.50 72.46 3hw1 s THR 82 CO 0.03 -0.87 1.05 -0.62 -0.54 0.00 0.00 174.62 173.68 3hw1 s ASP 83 N -2.82 -0.26 0.22 3.99 -1.08 -1.07 -1.40 116.67 114.25 3hw1 s ASP 83 Ca 0.07 0.04 -0.30 0.00 -0.52 0.00 0.00 52.55 51.84 3hw1 s ASP 83 Cb 0.04 0.26 -0.09 0.00 -1.46 0.00 0.00 42.92 41.68 3hw1 s ASP 83 CO -0.06 -0.41 1.33 -0.76 0.52 0.00 0.00 175.17 175.79 3hw1 s LEU 84 N -2.19 4.41 0.11 -1.34 1.43 -1.26 -2.54 118.68 117.31 3hw1 s LEU 84 Ca 0.06 2.48 0.08 0.00 -1.03 0.00 0.00 54.13 55.72 3hw1 s LEU 84 Cb -0.01 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 3hw1 s LEU 84 CO -0.06 -0.56 -0.19 -0.69 0.23 0.00 0.00 176.35 175.08 3hw1 s VAL 85 N -0.06 1.60 0.20 -1.59 1.01 0.22 -1.67 120.40 120.11 3hw1 s VAL 85 Ca 0.56 -1.56 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 3hw1 s VAL 85 Cb -0.38 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 3hw1 s VAL 85 CO 0.41 -0.14 0.40 -0.94 0.00 0.00 0.00 175.10 174.83 3hw1 s SER 86 N -2.00 -0.07 -0.40 3.32 1.04 -0.57 -0.85 113.70 114.17 3hw1 s SER 86 Ca 0.06 -0.83 0.01 0.00 0.48 0.00 0.00 55.95 55.67 3hw1 s SER 86 Cb -0.09 0.52 0.13 0.00 0.10 0.00 0.00 66.02 66.67 3hw1 s SER 86 CO 0.04 -1.02 0.20 -0.63 0.98 0.00 0.00 173.24 172.81 3hw1 s ILE 87 N -3.98 1.27 0.21 -1.02 1.01 -1.26 -0.40 121.20 117.04 3hw1 s ILE 87 Ca 0.18 -2.25 -0.11 0.00 0.00 0.00 0.00 60.65 58.47 3hw1 s ILE 87 Cb 0.01 -1.91 0.29 0.00 0.01 0.00 0.00 42.46 40.86 3hw1 s ILE 87 CO 0.03 -0.84 1.31 -2.65 0.00 0.00 0.00 174.94 172.79 3hw1 n PRO 88 N 3.89 -0.14 -2.43 2.79 -0.02 -1.26 0.13 135.00 137.95 3hw1 n PRO 88 Ca 0.06 1.30 -0.40 0.00 -2.02 0.00 0.00 63.50 62.45 3hw1 n PRO 88 Cb 0.36 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 31.93 3hw1 n PRO 88 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hw1 n HIS 89 N -5.30 2.92 -3.19 6.00 8.25 -1.26 -4.90 115.22 117.74 3hw1 n HIS 89 Ca 0.11 -2.58 0.00 0.00 -0.26 0.00 0.00 57.72 54.99 3hw1 n HIS 89 Cb 0.38 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.36 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 -0.23 4.94 3.78 -1.41 0.00 0.34 -4.36 105.19 108.25 3hw1 n GLY 90 Ca 0.48 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 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 0.41 4.20 -1.06 1.61 0.04 -1.26 -4.85 135.00 134.08 3hw1 s PRO 91 Ca 0.00 2.44 -0.22 0.00 0.04 0.00 0.00 61.00 63.26 3hw1 s PRO 91 Cb 0.00 -3.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 3hw1 s PRO 91 CO 0.00 -0.41 1.92 -1.71 0.04 0.00 0.00 177.00 176.84 3hw1 n ASN 92 N 0.59 3.06 -3.68 6.66 4.05 -1.26 -4.67 115.26 120.01 3hw1 n ASN 92 Ca 0.01 -2.71 -0.14 0.00 0.45 0.00 0.00 54.58 52.18 3hw1 n ASN 92 Cb 0.40 -1.53 -0.08 0.00 1.23 0.00 0.00 39.78 39.80 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 8.33 0.02 -0.10 3.44 -7.23 -1.26 -5.15 120.40 118.44 3hw1 s VAL 93 Ca 0.63 -0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 3hw1 s VAL 93 Cb 0.05 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.24 3hw1 s VAL 93 CO 0.12 -0.08 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.78 3hw1 s THR 94 N -0.50 2.73 0.01 5.32 2.01 -1.26 -4.47 115.64 119.48 3hw1 s THR 94 Ca -0.06 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.16 3hw1 s THR 94 Cb -0.03 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 3hw1 s THR 94 CO 0.04 0.55 -0.06 0.68 -0.69 0.00 0.00 174.62 175.13 3hw1 s VAL 95 N 0.14 0.47 0.26 3.82 -7.23 -0.03 -4.92 120.40 112.90 3hw1 s VAL 95 Ca -0.09 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 3hw1 s VAL 95 Cb -0.15 -0.44 -0.09 0.00 0.56 0.00 0.00 36.38 36.25 3hw1 s VAL 95 CO 0.05 -0.04 0.99 -0.60 -0.31 0.00 0.00 175.10 175.20 3hw1 s ARG 96 N -0.60 4.77 0.14 4.82 3.52 -1.26 0.71 118.95 131.05 3hw1 s ARG 96 Ca -0.02 1.58 -0.13 0.00 -0.13 0.00 0.00 55.73 57.03 3hw1 s ARG 96 Cb -0.05 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.14 3hw1 s ARG 96 CO 0.00 0.41 0.35 0.00 -0.81 0.00 0.00 175.30 175.25 3hw1 s ALA 97 N -1.20 -0.60 0.01 6.12 0.00 -1.05 -4.83 121.76 120.21 3hw1 s ALA 97 Ca 0.43 -0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 3hw1 s ALA 97 Cb -0.28 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.49 3hw1 s ALA 97 CO 0.35 -0.64 1.53 -0.80 0.00 0.00 0.00 175.76 176.19 3hw1 s ASN 98 N -2.86 6.73 -0.10 0.00 0.01 -1.26 -2.61 114.94 114.85 3hw1 s ASN 98 Ca 0.07 2.25 0.03 0.00 -0.71 0.00 0.00 52.86 54.51 3hw1 s ASN 98 Cb 0.02 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.13 3hw1 s ASN 98 CO -0.08 -0.82 -0.22 -0.63 -1.51 0.00 0.00 177.10 173.85 3hw1 s ILE 99 N 2.85 1.90 -0.46 0.60 1.01 0.20 -4.57 121.20 122.73 3hw1 s ILE 99 Ca 0.69 -0.92 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 3hw1 s ILE 99 Cb -0.34 -1.66 0.04 0.00 0.01 0.00 0.00 42.46 40.51 3hw1 s ILE 99 CO 0.29 0.52 0.60 0.00 0.00 0.00 0.00 174.94 176.35 3hw1 s ALA 100 N 0.46 3.37 -0.52 9.38 0.00 -0.55 -1.72 121.76 132.19 3hw1 s ALA 100 Ca -0.17 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.03 3hw1 s ALA 100 Cb -0.17 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3hw1 s ALA 100 CO 0.07 -1.84 1.10 0.00 0.00 0.00 0.00 175.76 175.08 3hw1 s ALA 101 N 2.62 3.11 0.22 0.00 0.00 -0.59 -0.73 121.76 126.39 3hw1 s ALA 101 Ca 0.18 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 3hw1 s ALA 101 Cb -0.17 -3.88 -0.09 0.00 0.00 0.00 0.00 23.12 18.99 3hw1 s ALA 101 CO 0.15 -2.38 1.10 0.42 0.00 0.00 0.00 175.76 175.06 3hw1 s ILE 102 N 4.45 3.68 0.00 0.00 1.01 0.87 -0.73 121.20 130.49 3hw1 s ILE 102 Ca 0.42 1.55 0.00 0.00 0.00 0.00 0.00 60.65 62.63 3hw1 s ILE 102 Cb -0.08 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3hw1 s ILE 102 CO 0.27 0.31 0.00 0.35 0.00 0.00 0.00 174.94 175.88 3hw1 n THR 103 N 1.87 0.00 -5.00 2.92 -2.24 0.12 -1.78 114.28 110.16 3hw1 n THR 103 Ca 0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 3hw1 n THR 103 Cb 0.45 -0.48 -0.14 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.51 2.52 0.15 -0.78 2.02 -0.98 -4.96 118.70 115.16 3hw1 s GLU 104 Ca 0.00 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.29 3hw1 s GLU 104 Cb 0.00 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 3hw1 s GLU 104 CO 0.00 0.54 -0.14 -1.12 0.02 0.00 0.00 175.26 174.57 3hw1 s SER 105 N -0.54 2.15 -0.29 -0.19 0.01 -1.26 -2.18 113.70 111.40 3hw1 s SER 105 Ca 0.07 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 3hw1 s SER 105 Cb -0.11 -0.08 0.18 0.00 0.21 0.00 0.00 66.02 66.22 3hw1 s SER 105 CO 0.01 -0.17 0.58 -0.62 0.41 0.00 0.00 173.24 173.45 3hw1 s ASP 106 N -2.79 -1.23 -1.17 2.44 2.15 -0.96 -4.96 116.67 110.15 3hw1 s ASP 106 Ca 0.14 0.85 -0.25 0.00 0.43 0.00 0.00 52.55 53.72 3hw1 s ASP 106 Cb -0.03 2.08 0.01 0.00 -0.30 0.00 0.00 42.92 44.68 3hw1 s ASP 106 CO 0.04 -0.26 0.75 0.29 -0.17 0.00 0.00 175.17 175.81 3hw1 n LYS 107 N 5.42 -0.94 0.12 4.34 5.02 -1.26 -2.55 118.16 128.30 3hw1 n LYS 107 Ca -0.02 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 3hw1 n LYS 107 Cb 0.51 -3.61 0.00 0.00 -0.02 0.00 0.00 35.03 31.91 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 -4.48 -1.74 -2.46 2.13 7.35 -1.26 -4.61 117.46 112.38 3hw1 n PHE 108 Ca -0.10 0.31 -0.42 0.00 -0.76 0.00 0.00 57.45 56.47 3hw1 n PHE 108 Cb 0.58 0.39 -0.03 0.00 0.35 0.00 0.00 39.48 40.78 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 -2.00 3.47 -0.13 -5.13 0.40 -1.26 -5.02 117.98 108.31 3hw1 s PHE 109 Ca 0.00 1.35 -0.07 0.00 -0.60 0.00 0.00 56.93 57.61 3hw1 s PHE 109 Cb 0.00 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.11 3hw1 s PHE 109 CO 0.00 -1.11 0.13 0.42 0.70 0.00 0.00 175.22 175.36 3hw1 s ILE 110 N 1.01 5.44 0.21 0.64 1.01 -1.26 -4.92 121.20 123.34 3hw1 s ILE 110 Ca 0.58 0.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.10 3hw1 s ILE 110 Cb -0.28 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.71 3hw1 s ILE 110 CO 0.29 0.60 1.50 0.21 0.00 0.00 0.00 174.94 177.54 3hw1 s ASN 111 N -0.89 6.62 -1.65 3.58 3.04 -1.26 -2.74 114.94 121.63 3hw1 s ASN 111 Ca 0.14 2.64 -0.02 0.00 0.04 0.00 0.00 52.86 55.66 3hw1 s ASN 111 Cb -0.12 -2.61 0.00 0.00 -1.54 0.00 0.00 41.25 36.98 3hw1 s ASN 111 CO 0.03 -0.76 0.33 0.61 -3.04 0.00 0.00 177.10 174.27 3hw1 n GLY 112 N 2.90 -0.50 0.08 1.21 0.00 -1.26 -4.92 105.19 102.71 3hw1 n GLY 112 Ca 0.10 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3hw1 n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hw1 n SER 113 N -2.24 0.58 0.00 1.61 3.41 -1.11 -4.99 113.62 110.89 3hw1 n SER 113 Ca -0.17 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3hw1 n SER 113 Cb 0.65 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 3hw1 n SER 113 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hw1 n ASN 114 N -2.79 -2.61 -4.75 4.04 5.15 -1.26 -4.76 115.26 108.28 3hw1 n ASN 114 Ca -0.14 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.49 3hw1 n ASN 114 Cb 0.89 -1.68 -0.08 0.00 -0.53 0.00 0.00 39.78 38.38 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 -1.92 3.27 -0.68 1.20 1.48 -1.26 -4.54 118.94 116.48 3hw1 s TRP 115 Ca 0.00 0.25 0.09 0.00 -1.06 0.00 0.00 56.10 55.37 3hw1 s TRP 115 Cb 0.00 -1.79 -0.03 0.00 -1.16 0.00 0.00 33.47 30.49 3hw1 s TRP 115 CO 0.00 0.54 0.52 0.39 -4.06 0.00 0.00 176.95 174.34 3hw1 n GLU 116 N 1.75 2.84 -3.07 3.25 4.71 0.17 -4.87 120.64 125.41 3hw1 n GLU 116 Ca -0.17 -0.38 -0.03 0.00 -0.01 0.00 0.00 57.16 56.57 3hw1 n GLU 116 Cb 0.53 -1.00 0.02 0.00 -1.01 0.00 0.00 31.44 29.98 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 0.97 0.94 2.99 0.62 0.00 -1.19 -0.75 105.19 108.76 3hw1 n GLY 117 Ca 0.03 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.26 0.49 -0.54 -0.61 2.07 0.17 -0.91 121.20 119.61 3hw1 s ILE 118 Ca 0.15 -0.46 0.03 0.00 -1.41 0.00 0.00 60.65 58.96 3hw1 s ILE 118 Cb -0.02 -0.46 0.14 0.00 0.13 0.00 0.00 42.46 42.25 3hw1 s ILE 118 CO 0.05 0.01 0.30 -0.22 -1.91 0.00 0.00 174.94 173.16 3hw1 s LEU 119 N -0.50 4.45 -0.16 8.50 2.96 0.24 -1.68 118.68 132.49 3hw1 s LEU 119 Ca -0.01 -3.05 -0.29 0.00 -0.22 0.00 0.00 54.13 50.57 3hw1 s LEU 119 Cb -0.04 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 3hw1 s LEU 119 CO -0.00 -0.24 1.62 -0.83 -1.32 0.00 0.00 176.35 175.59 3hw1 s GLY 120 N -0.24 1.33 -0.24 7.98 0.00 -0.58 -2.39 107.32 113.18 3hw1 s GLY 120 Ca 0.17 0.63 0.14 0.00 0.00 0.00 0.00 44.72 45.66 3hw1 s GLY 120 CO -0.01 3.01 1.53 1.04 0.00 0.00 0.00 173.10 178.66 3hw1 n LEU 121 N 7.99 4.48 0.00 0.66 4.77 0.07 -4.27 117.00 130.70 3hw1 n LEU 121 Ca 0.18 -3.22 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 3hw1 n LEU 121 Cb 0.44 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3hw1 n LEU 121 CO 0.63 0.83 0.00 0.00 -1.33 0.00 0.00 177.39 177.52 3hw1 n ALA 122 N -0.54 0.00 -2.71 -1.18 0.00 -0.79 -4.89 120.51 110.40 3hw1 n ALA 122 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.46 3hw1 n ALA 122 Cb 1.04 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.46 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 1.11 3.48 0.37 0.00 1.51 -0.50 -4.63 117.35 118.68 3hw1 s TYR 123 Ca 0.00 0.39 0.18 0.00 -1.01 0.00 0.00 57.07 56.63 3hw1 s TYR 123 Cb 0.00 -1.90 1.19 0.00 -0.11 0.00 0.00 41.96 41.14 3hw1 s TYR 123 CO 0.00 0.30 1.65 0.00 -1.11 0.00 0.00 175.55 176.39 3hw1 h ALA 124 N 1.72 2.13 -0.88 3.71 0.00 -1.87 -2.36 119.26 121.72 3hw1 h ALA 124 Ca -0.48 0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.84 3hw1 h ALA 124 Cb 1.20 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 19.00 3hw1 h ALA 124 CO 0.66 -0.76 -0.03 -1.91 0.00 0.00 0.00 179.25 177.21 3hw1 n GLU 125 N -5.00 -0.07 -0.58 0.00 0.00 -1.26 -0.07 120.64 113.66 3hw1 n GLU 125 Ca 0.33 1.32 0.09 0.00 0.00 0.00 0.00 57.16 58.90 3hw1 n GLU 125 Cb 1.10 -2.08 0.33 0.00 0.00 0.00 0.00 31.44 30.79 3hw1 n GLU 125 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3hw1 n ILE 126 N -5.31 1.92 -2.33 6.31 -5.35 -0.89 -4.46 119.36 109.26 3hw1 n ILE 126 Ca 0.19 -1.30 -0.38 0.00 -0.27 0.00 0.00 62.75 60.98 3hw1 n ILE 126 Cb 0.63 0.07 -0.02 0.00 -1.74 0.00 0.00 39.64 38.57 3hw1 n ILE 126 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hw1 s ALA 127 N -2.00 3.20 0.03 -1.28 0.00 0.90 -4.55 121.76 118.05 3hw1 s ALA 127 Ca 0.47 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3hw1 s ALA 127 Cb 0.32 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3hw1 s ALA 127 CO 0.20 -0.46 0.09 1.03 0.00 0.00 0.00 175.76 176.62 3hw1 s ARG 128 N -2.19 3.01 0.24 0.00 1.81 -1.26 -2.94 118.95 117.61 3hw1 s ARG 128 Ca 0.55 -0.57 -0.02 0.00 -1.72 0.00 0.00 55.73 53.98 3hw1 s ARG 128 Cb -0.30 -2.81 0.26 0.00 -0.45 0.00 0.00 34.95 31.64 3hw1 s ARG 128 CO 0.39 0.61 1.65 -1.00 -0.68 0.00 0.00 175.30 176.27 3hw1 h PRO 129 N 3.72 0.64 -4.30 3.54 0.13 -1.93 -3.46 132.00 130.35 3hw1 h PRO 129 Ca -0.48 -0.27 -0.20 0.00 -0.87 0.00 0.00 66.00 64.18 3hw1 h PRO 129 Cb 1.17 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 3hw1 h PRO 129 CO 0.64 0.85 -0.43 0.16 -0.23 0.00 0.00 178.00 178.99 3hw1 s ASP 130 N -6.79 0.23 0.00 1.44 -4.77 -1.15 -5.04 116.67 100.59 3hw1 s ASP 130 Ca -0.08 -1.28 0.05 0.00 -3.30 0.00 0.00 52.55 47.94 3hw1 s ASP 130 Cb 0.13 0.47 0.31 0.00 -1.09 0.00 0.00 42.92 42.75 3hw1 s ASP 130 CO 0.82 -0.98 0.70 -0.90 0.70 0.00 0.00 175.17 175.51 3hw1 n ASP 131 N -0.47 0.00 -0.95 2.11 5.75 -1.24 -1.14 116.55 120.61 3hw1 n ASP 131 Ca 0.01 -0.34 0.12 0.00 -0.01 0.00 0.00 54.79 54.57 3hw1 n ASP 131 Cb 0.64 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.91 3hw1 n ASP 131 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hw1 n SER 132 N -0.82 2.94 -4.46 -1.12 3.41 -1.26 -4.66 113.62 107.65 3hw1 n SER 132 Ca 0.04 -1.95 -0.43 0.00 -0.26 0.00 0.00 58.87 56.27 3hw1 n SER 132 Cb 0.02 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 3hw1 n SER 132 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hw1 s LEU 133 N -1.87 4.59 0.05 1.04 2.96 -0.29 -5.01 118.68 120.15 3hw1 s LEU 133 Ca 0.32 -0.90 -0.30 0.00 -0.22 0.00 0.00 54.13 53.03 3hw1 s LEU 133 Cb 0.21 -2.50 -0.08 0.00 0.50 0.00 0.00 46.19 44.31 3hw1 s LEU 133 CO 0.31 -1.23 1.71 -0.70 -1.32 0.00 0.00 176.35 175.11 3hw1 s GLU 134 N 3.54 4.18 0.59 1.98 2.12 -1.26 -4.87 118.70 124.98 3hw1 s GLU 134 Ca 0.21 2.37 -0.18 0.00 0.36 0.00 0.00 54.97 57.73 3hw1 s GLU 134 Cb -0.17 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 3hw1 s GLU 134 CO 0.12 -0.79 1.14 -2.14 -0.54 0.00 0.00 175.26 173.05 3hw1 s PRO 135 N 3.09 3.07 0.22 4.30 0.02 -1.26 -4.52 135.00 139.91 3hw1 s PRO 135 Ca 0.76 1.60 -0.09 0.00 0.02 0.00 0.00 61.00 63.29 3hw1 s PRO 135 Cb -0.40 -1.97 0.36 0.00 0.02 0.00 0.00 34.50 32.51 3hw1 s PRO 135 CO 0.33 -1.08 1.67 0.35 -0.33 0.00 0.00 177.00 177.94 3hw1 h PHE 136 N 0.74 0.06 -0.97 6.54 3.57 -1.81 -2.28 116.94 122.78 3hw1 h PHE 136 Ca -0.49 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.06 3hw1 h PHE 136 Cb 1.27 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 3hw1 h PHE 136 CO 0.51 -0.14 0.64 0.35 -2.23 0.00 0.00 178.31 177.43 3hw1 h PHE 137 N 0.16 1.23 0.01 0.41 3.57 -1.93 0.68 116.94 121.08 3hw1 h PHE 137 Ca 0.36 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.89 3hw1 h PHE 137 Cb 0.59 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3hw1 h PHE 137 CO -0.34 0.78 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.03 3hw1 h ASP 138 N 1.33 -0.17 -0.22 0.41 3.32 -1.80 0.25 116.42 119.54 3hw1 h ASP 138 Ca 0.36 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.49 3hw1 h ASP 138 Cb -0.14 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 3hw1 h ASP 138 CO -0.08 -0.09 -0.24 0.28 -1.72 0.00 0.00 179.24 177.39 3hw1 h SER 139 N -0.11 -0.77 -0.18 6.45 0.02 -1.21 0.13 113.55 117.87 3hw1 h SER 139 Ca 0.02 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.16 3hw1 h SER 139 Cb 0.13 0.36 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 3hw1 h SER 139 CO -0.05 -0.28 -0.34 0.25 -1.14 0.00 0.00 176.83 175.26 3hw1 h LEU 140 N -0.26 -1.08 -0.31 5.07 5.85 -0.59 -0.59 115.31 123.40 3hw1 h LEU 140 Ca 0.13 0.16 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3hw1 h LEU 140 Cb 0.46 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hw1 h LEU 140 CO -0.37 -0.37 0.17 0.58 -0.34 0.00 0.00 178.44 178.11 3hw1 h VAL 141 N -0.39 1.01 0.00 1.05 2.07 -0.58 -2.73 116.25 116.68 3hw1 h VAL 141 Ca 0.11 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3hw1 h VAL 141 Cb 0.56 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3hw1 h VAL 141 CO -0.40 0.06 -0.22 0.11 0.02 0.00 0.00 177.57 177.14 3hw1 h LYS 142 N 0.34 0.00 -0.02 1.57 1.57 -0.30 -3.02 116.57 116.72 3hw1 h LYS 142 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3hw1 h LYS 142 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3hw1 h LYS 142 CO -0.07 0.22 -0.15 1.04 -0.57 0.00 0.00 179.45 179.92 3hw1 n GLN 143 N -3.50 1.63 -2.04 3.15 6.02 -0.27 -4.99 117.38 117.39 3hw1 n GLN 143 Ca -0.01 -1.20 -0.00 0.00 -0.01 0.00 0.00 57.00 55.78 3hw1 n GLN 143 Cb 0.39 -1.48 -0.00 0.00 1.02 0.00 0.00 30.24 30.17 3hw1 n GLN 143 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hw1 n THR 144 N 0.36 0.00 -0.51 5.09 -2.24 -1.04 -5.04 114.28 110.90 3hw1 n THR 144 Ca 0.14 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 3hw1 n THR 144 Cb 0.46 0.02 0.32 0.00 -2.10 0.00 0.00 70.33 69.03 3hw1 n THR 144 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hw1 n HIS 145 N -0.01 1.18 -2.15 4.78 8.25 -1.26 -4.89 115.22 121.11 3hw1 n HIS 145 Ca 0.00 -0.58 -0.43 0.00 -0.26 0.00 0.00 57.72 56.46 3hw1 n HIS 145 Cb 0.01 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 3hw1 n HIS 145 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hw1 s VAL 146 N -1.53 3.81 0.80 1.59 1.01 -1.26 -4.97 120.40 119.84 3hw1 s VAL 146 Ca 0.47 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.26 3hw1 s VAL 146 Cb 0.28 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 3hw1 s VAL 146 CO 0.25 -0.10 0.02 -2.65 0.00 0.00 0.00 175.10 172.62 3hw1 n PRO 147 N 7.01 0.06 -2.38 2.72 -0.02 -1.26 -4.65 135.00 136.48 3hw1 n PRO 147 Ca 0.16 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.26 3hw1 n PRO 147 Cb 0.44 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 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 1.11 4.82 -3.64 2.55 5.15 -1.26 -4.41 115.26 119.58 3hw1 n ASN 148 Ca 0.06 -2.99 -0.04 0.00 -0.60 0.00 0.00 54.58 51.00 3hw1 n ASN 148 Cb 0.52 -1.58 -0.07 0.00 -0.53 0.00 0.00 39.78 38.12 3hw1 n ASN 148 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3hw1 s LEU 149 N 1.46 -0.71 0.08 1.20 0.20 -1.26 -1.85 118.68 117.79 3hw1 s LEU 149 Ca 0.44 1.13 0.02 0.00 0.69 0.00 0.00 54.13 56.42 3hw1 s LEU 149 Cb 0.07 2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 47.83 3hw1 s LEU 149 CO -0.01 -0.18 -0.07 0.72 -0.29 0.00 0.00 176.35 176.52 3hw1 s PHE 150 N 1.48 0.83 0.08 5.38 -0.71 -1.16 0.80 117.98 124.68 3hw1 s PHE 150 Ca -0.09 -0.72 0.05 0.00 -1.04 0.00 0.00 56.93 55.12 3hw1 s PHE 150 Cb -0.04 -0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 41.26 3hw1 s PHE 150 CO -0.17 -0.11 -0.13 -1.54 -1.34 0.00 0.00 175.22 171.93 3hw1 s SER 151 N -2.40 1.65 -0.17 1.98 1.04 -0.50 0.87 113.70 116.17 3hw1 s SER 151 Ca 0.03 -0.67 -0.01 0.00 0.48 0.00 0.00 55.95 55.77 3hw1 s SER 151 Cb -0.02 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.11 3hw1 s SER 151 CO -0.02 -0.12 -0.01 -0.76 0.98 0.00 0.00 173.24 173.31 3hw1 s LEU 152 N -1.94 1.39 -0.35 2.42 1.43 -0.72 -1.78 118.68 119.14 3hw1 s LEU 152 Ca 0.00 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.26 3hw1 s LEU 152 Cb -0.08 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.38 3hw1 s LEU 152 CO 0.02 -0.24 0.31 -1.58 0.23 0.00 0.00 176.35 175.09 3hw1 s GLN 153 N 1.75 3.50 -0.19 1.70 0.74 -0.61 -2.33 119.66 124.22 3hw1 s GLN 153 Ca -0.00 -0.54 -0.02 0.00 0.05 0.00 0.00 55.36 54.85 3hw1 s GLN 153 Cb -0.16 -3.82 -0.00 0.00 1.10 0.00 0.00 33.01 30.13 3hw1 s GLN 153 CO -0.07 -0.50 -0.10 -0.51 -0.55 0.00 0.00 175.29 173.56 3hw1 s LEU 154 N 1.88 2.69 -0.20 3.68 1.43 -1.26 -0.25 118.68 126.65 3hw1 s LEU 154 Ca 0.09 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3hw1 s LEU 154 Cb -0.17 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 3hw1 s LEU 154 CO 0.11 0.03 0.05 0.00 0.23 0.00 0.00 176.35 176.77 3hw1 n GLY 156 N 3.99 -2.34 0.00 0.00 0.00 -1.26 -3.63 105.19 101.95 3hw1 n GLY 156 Ca -0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.00 0.00 -1.20 4.61 0.00 -1.26 -5.03 120.51 114.63 3hw1 n ALA 157 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3hw1 n ALA 157 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3hw1 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hw1 n GLY 171 N 0.00 -2.67 0.00 0.00 0.00 -1.24 -4.96 105.19 96.33 3hw1 n GLY 171 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3hw1 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hw1 n GLY 172 N -4.00 -1.59 3.32 -0.02 0.00 -0.75 -0.71 105.19 101.44 3hw1 n GLY 172 Ca -0.04 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 -3.02 3.05 -0.21 1.61 0.01 0.65 0.63 113.70 116.42 3hw1 s SER 173 Ca 0.00 -0.52 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 3hw1 s SER 173 Cb 0.00 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.93 3hw1 s SER 173 CO 0.00 0.28 -0.10 -0.32 0.41 0.00 0.00 173.24 173.51 3hw1 s MET 174 N -0.92 3.13 -0.41 12.44 1.75 -1.26 -1.58 119.30 132.45 3hw1 s MET 174 Ca 0.11 -0.77 -0.12 0.00 -1.25 0.00 0.00 55.69 53.66 3hw1 s MET 174 Cb -0.10 -2.85 0.05 0.00 2.84 0.00 0.00 34.83 34.77 3hw1 s MET 174 CO 0.01 -0.24 0.28 0.42 -0.65 0.00 0.00 175.02 174.83 3hw1 s ILE 175 N 1.38 4.75 -0.15 10.11 -1.09 -0.73 -4.75 121.20 130.72 3hw1 s ILE 175 Ca 0.04 -1.00 -0.26 0.00 -2.23 0.00 0.00 60.65 57.20 3hw1 s ILE 175 Cb -0.14 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 3hw1 s ILE 175 CO -0.07 -0.39 0.87 -0.63 -1.23 0.00 0.00 174.94 173.49 3hw1 s ILE 176 N 1.56 4.86 0.00 2.92 1.01 -1.26 -1.42 121.20 128.88 3hw1 s ILE 176 Ca 0.03 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.41 3hw1 s ILE 176 Cb -0.21 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.08 3hw1 s ILE 176 CO 0.06 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.64 3hw1 n GLY 177 N 3.34 0.80 3.56 6.18 0.00 0.24 -4.78 105.19 114.53 3hw1 n GLY 177 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 3hw1 n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hw1 s GLY 178 N -1.93 -0.32 -0.28 -0.02 0.00 -1.24 -4.46 107.32 99.08 3hw1 s GLY 178 Ca 0.00 1.63 -0.11 0.00 0.00 0.00 0.00 44.72 46.25 3hw1 s GLY 178 CO 0.00 0.68 0.18 -0.42 0.00 0.00 0.00 173.10 173.54 3hw1 s ILE 179 N -2.11 5.28 -0.53 0.90 1.01 -1.26 -4.27 121.20 120.21 3hw1 s ILE 179 Ca 0.04 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 3hw1 s ILE 179 Cb -0.01 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 39.03 3hw1 s ILE 179 CO -0.04 0.26 0.61 -0.62 0.00 0.00 0.00 174.94 175.14 3hw1 s ASP 180 N 1.72 6.19 0.56 3.58 2.15 -1.26 -4.60 116.67 125.01 3hw1 s ASP 180 Ca 0.07 -1.23 0.31 0.00 0.43 0.00 0.00 52.55 52.12 3hw1 s ASP 180 Cb -0.16 -2.27 1.47 0.00 -0.30 0.00 0.00 42.92 41.66 3hw1 s ASP 180 CO 0.10 -0.93 1.87 -0.74 -0.17 0.00 0.00 175.17 175.30 3hw1 h HIS 181 N 9.02 0.00 0.00 -5.34 -0.00 -1.92 -1.62 115.15 115.29 3hw1 h HIS 181 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 3hw1 h HIS 181 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.50 3hw1 h HIS 181 CO 0.76 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 179.35 3hw1 h SER 182 N 0.00 0.00 0.00 3.26 4.64 -1.93 -2.90 113.55 116.63 3hw1 h SER 182 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hw1 h SER 182 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3hw1 h SER 182 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3hw1 n LEU 183 N -2.75 0.00 -3.51 5.97 4.77 -0.61 -4.85 117.00 116.03 3hw1 n LEU 183 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.88 3hw1 n LEU 183 Cb 0.31 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3hw1 n LEU 183 CO 0.26 0.00 0.61 -0.72 -1.33 0.00 0.00 177.39 176.21 3hw1 s TYR 184 N -2.00 -0.45 0.38 -1.77 1.13 -1.09 -1.81 117.35 111.74 3hw1 s TYR 184 Ca 0.40 0.50 0.08 0.00 -1.41 0.00 0.00 57.07 56.64 3hw1 s TYR 184 Cb 0.18 0.50 -0.07 0.00 -1.10 0.00 0.00 41.96 41.47 3hw1 s TYR 184 CO 0.31 -0.57 -0.00 0.95 -2.51 0.00 0.00 175.55 173.73 3hw1 s THR 185 N -2.41 2.16 0.00 -3.49 -4.23 -1.10 -4.86 115.64 101.70 3hw1 s THR 185 Ca -0.00 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3hw1 s THR 185 Cb -0.01 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3hw1 s THR 185 CO -0.04 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 3hw1 n GLY 186 N -0.94 -0.72 3.73 3.99 0.00 -1.26 -3.72 105.19 106.26 3hw1 n GLY 186 Ca -0.05 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 5.26 0.11 1.61 0.01 -1.26 -5.01 113.70 110.42 3hw1 s SER 187 Ca 0.00 -0.11 -0.28 0.00 1.31 0.00 0.00 55.95 56.86 3hw1 s SER 187 Cb 0.00 -1.33 -0.06 0.00 0.21 0.00 0.00 66.02 64.84 3hw1 s SER 187 CO 0.00 0.16 0.89 -0.76 0.41 0.00 0.00 173.24 173.94 3hw1 s LEU 188 N -2.44 4.51 -0.06 2.44 1.43 -1.26 -4.50 118.68 118.80 3hw1 s LEU 188 Ca 0.28 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.12 3hw1 s LEU 188 Cb -0.12 -3.46 -0.00 0.00 0.03 0.00 0.00 46.19 42.64 3hw1 s LEU 188 CO 0.20 0.00 -0.21 0.26 0.23 0.00 0.00 176.35 176.84 3hw1 s TRP 189 N -0.21 2.08 -0.05 0.29 0.52 -0.67 -4.94 118.94 115.96 3hw1 s TRP 189 Ca 0.43 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.88 3hw1 s TRP 189 Cb -0.23 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.67 3hw1 s TRP 189 CO 0.28 -0.24 -0.02 0.71 0.02 0.00 0.00 176.95 177.70 3hw1 s TYR 190 N 0.08 3.07 -0.04 -1.98 1.51 -1.26 -0.38 117.35 118.34 3hw1 s TYR 190 Ca -0.07 0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.15 3hw1 s TYR 190 Cb -0.14 -1.73 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 3hw1 s TYR 190 CO 0.04 0.43 -0.21 -0.08 -1.11 0.00 0.00 175.55 174.62 3hw1 s THR 191 N -0.94 2.47 0.40 -0.71 -1.32 -0.20 -3.53 115.64 111.81 3hw1 s THR 191 Ca 0.15 -0.94 -0.27 0.00 -1.21 0.00 0.00 61.69 59.42 3hw1 s THR 191 Cb -0.11 -1.91 -0.10 0.00 -1.51 0.00 0.00 72.50 68.86 3hw1 s THR 191 CO 0.05 0.58 1.37 -2.65 -2.21 0.00 0.00 174.62 171.76 3hw1 n PRO 192 N 2.51 2.24 -2.41 7.08 -0.02 -1.26 -0.85 135.00 142.30 3hw1 n PRO 192 Ca -0.17 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.68 3hw1 n PRO 192 Cb 0.52 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 3hw1 n PRO 192 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hw1 s ILE 193 N -1.16 4.16 0.05 4.25 1.01 -0.61 -4.59 121.20 124.31 3hw1 s ILE 193 Ca 0.58 1.33 -0.25 0.00 0.00 0.00 0.00 60.65 62.31 3hw1 s ILE 193 Cb -0.50 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 37.71 3hw1 s ILE 193 CO 0.60 -0.38 1.54 -0.09 0.00 0.00 0.00 174.94 176.62 3hw1 h ARG 194 N 9.09 -0.16 -3.69 2.79 2.43 -0.45 -3.45 114.38 120.93 3hw1 h ARG 194 Ca -0.27 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.78 3hw1 h ARG 194 Cb 1.10 0.04 -0.19 0.00 -0.42 0.00 0.00 29.97 30.50 3hw1 h ARG 194 CO 1.02 0.03 -0.51 0.50 -1.51 0.00 0.00 179.97 179.49 3hw1 s ARG 195 N -5.50 0.54 -1.19 0.20 3.52 -1.26 -5.09 118.95 110.18 3hw1 s ARG 195 Ca -0.14 -0.61 -0.12 0.00 -0.13 0.00 0.00 55.73 54.73 3hw1 s ARG 195 Cb 0.04 0.22 0.20 0.00 -1.56 0.00 0.00 34.95 33.85 3hw1 s ARG 195 CO 0.64 -0.13 1.40 0.39 -0.81 0.00 0.00 175.30 176.78 3hw1 n GLU 196 N 1.05 3.47 0.00 5.12 1.02 -1.26 -4.08 120.64 125.96 3hw1 n GLU 196 Ca -0.21 -4.00 0.00 0.00 -0.02 0.00 0.00 57.16 52.93 3hw1 n GLU 196 Cb 0.57 -2.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 3hw1 n GLU 196 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3hw1 n TRP 197 N 4.61 0.00 -1.69 -0.32 4.27 -1.26 -4.50 117.44 118.55 3hw1 n TRP 197 Ca 0.34 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.66 3hw1 n TRP 197 Cb 0.41 0.00 0.12 0.00 -1.36 0.00 0.00 31.31 30.48 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 0.00 2.65 -1.30 -2.67 2.02 -1.26 -1.41 117.35 115.38 3hw1 s TYR 198 Ca 0.00 0.80 -0.14 0.00 -0.37 0.00 0.00 57.07 57.35 3hw1 s TYR 198 Cb 0.00 -3.45 -0.03 0.00 -0.40 0.00 0.00 41.96 38.07 3hw1 s TYR 198 CO 0.00 -2.15 2.30 0.66 -1.57 0.00 0.00 175.55 174.79 3hw1 n TYR 199 N -3.59 2.78 -2.25 2.71 4.02 -1.26 -4.83 117.16 114.73 3hw1 n TYR 199 Ca 0.07 -2.67 -0.41 0.00 -0.01 0.00 0.00 57.90 54.88 3hw1 n TYR 199 Cb 0.60 -2.29 -0.03 0.00 -0.02 0.00 0.00 39.34 37.60 3hw1 n TYR 199 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3hw1 s GLU 200 N 3.39 4.40 0.14 -0.72 2.12 -1.26 -2.48 118.70 124.29 3hw1 s GLU 200 Ca 0.53 2.02 -0.01 0.00 0.36 0.00 0.00 54.97 57.86 3hw1 s GLU 200 Cb 0.15 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 3hw1 s GLU 200 CO -0.04 -0.24 0.07 0.14 -0.54 0.00 0.00 175.26 174.65 3hw1 s VAL 201 N 0.21 0.09 -0.21 3.70 -7.23 0.58 0.34 120.40 117.87 3hw1 s VAL 201 Ca 0.57 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 3hw1 s VAL 201 Cb -0.36 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 3hw1 s VAL 201 CO 0.37 -0.40 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.13 3hw1 s ILE 202 N -4.06 3.84 -0.11 -0.62 1.01 -1.26 -4.10 121.20 115.89 3hw1 s ILE 202 Ca 0.26 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 3hw1 s ILE 202 Cb 0.07 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 3hw1 s ILE 202 CO 0.03 0.41 0.46 -0.63 0.00 0.00 0.00 174.94 175.21 3hw1 s ILE 203 N 1.25 5.19 -0.34 2.92 1.01 -1.26 -1.09 121.20 128.87 3hw1 s ILE 203 Ca 0.03 0.92 0.08 0.00 0.00 0.00 0.00 60.65 61.68 3hw1 s ILE 203 Cb -0.15 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 3hw1 s ILE 203 CO 0.01 0.35 0.32 1.33 0.00 0.00 0.00 174.94 176.94 3hw1 n VAL 204 N 3.55 0.00 -3.60 2.92 0.24 -0.54 -4.64 118.33 116.27 3hw1 n VAL 204 Ca -0.08 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 3hw1 n VAL 204 Cb 0.52 0.95 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 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 -1.79 0.69 -0.03 7.34 3.52 -1.23 -4.82 118.95 122.63 3hw1 s ARG 205 Ca 0.02 0.55 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 3hw1 s ARG 205 Cb 0.06 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 3hw1 s ARG 205 CO 0.32 -0.14 -0.13 0.08 -0.81 0.00 0.00 175.30 174.62 3hw1 s VAL 206 N -0.24 1.11 -0.01 7.11 1.01 -1.26 -1.26 120.40 126.85 3hw1 s VAL 206 Ca -0.01 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3hw1 s VAL 206 Cb -0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 3hw1 s VAL 206 CO -0.00 0.33 -0.13 -1.61 0.00 0.00 0.00 175.10 173.69 3hw1 s GLU 207 N 0.12 1.09 -0.23 2.72 2.02 -0.41 -2.11 118.70 121.89 3hw1 s GLU 207 Ca -0.03 -0.46 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 3hw1 s GLU 207 Cb -0.10 -1.04 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 3hw1 s GLU 207 CO 0.01 0.26 -0.02 0.42 0.02 0.00 0.00 175.26 175.96 3hw1 s ILE 208 N -0.24 3.54 -1.79 -1.63 -1.09 -0.70 -0.58 121.20 118.70 3hw1 s ILE 208 Ca 0.04 -0.48 -0.20 0.00 -2.23 0.00 0.00 60.65 57.77 3hw1 s ILE 208 Cb -0.06 -2.64 0.19 0.00 -1.58 0.00 0.00 42.46 38.37 3hw1 s ILE 208 CO -0.00 0.37 0.66 0.59 -1.23 0.00 0.00 174.94 175.33 3hw1 n ASN 209 N 4.82 -2.35 0.00 3.58 3.02 0.12 -0.66 115.26 123.79 3hw1 n ASN 209 Ca -0.18 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 3hw1 n ASN 209 Cb 0.51 -2.13 0.00 0.00 -0.61 0.00 0.00 39.78 37.55 3hw1 n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hw1 n GLY 210 N -1.28 1.59 3.69 7.41 0.00 -1.26 -5.01 105.19 110.33 3hw1 n GLY 210 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.12 4.36 0.40 1.61 0.74 0.17 -5.00 119.66 121.83 3hw1 s GLN 211 Ca 0.00 0.93 -0.26 0.00 0.05 0.00 0.00 55.36 56.08 3hw1 s GLN 211 Cb 0.00 -3.51 -0.09 0.00 1.10 0.00 0.00 33.01 30.51 3hw1 s GLN 211 CO 0.00 -0.13 1.32 0.34 -0.55 0.00 0.00 175.29 176.26 3hw1 s ASP 212 N 1.00 6.31 0.39 6.67 2.15 -1.26 -1.72 116.67 130.20 3hw1 s ASP 212 Ca 0.37 2.68 0.28 0.00 0.43 0.00 0.00 52.55 56.32 3hw1 s ASP 212 Cb -0.17 -2.64 1.02 0.00 -0.30 0.00 0.00 42.92 40.83 3hw1 s ASP 212 CO 0.15 -0.86 1.81 -0.07 -0.17 0.00 0.00 175.17 176.04 3hw1 h LEU 213 N 2.70 0.00 -1.55 -1.34 4.07 -1.82 -3.47 115.31 113.89 3hw1 h LEU 213 Ca -0.50 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.09 3hw1 h LEU 213 Cb 1.25 0.00 0.13 0.00 1.08 0.00 0.00 40.66 43.11 3hw1 h LEU 213 CO 0.63 0.00 -0.77 1.17 -1.08 0.00 0.00 178.44 178.38 3hw1 n LYS 214 N -2.68 -6.30 -4.69 1.13 3.00 -1.26 -4.95 118.16 102.41 3hw1 n LYS 214 Ca 0.02 0.78 -0.28 0.00 -0.00 0.00 0.00 58.31 58.83 3hw1 n LYS 214 Cb 0.33 -5.67 -0.14 0.00 0.00 0.00 0.00 35.03 29.54 3hw1 n LYS 214 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 3hw1 s MET 215 N -5.70 1.53 -0.08 1.64 1.75 -1.26 -5.08 119.30 112.10 3hw1 s MET 215 Ca 0.11 -1.07 -0.31 0.00 -1.25 0.00 0.00 55.69 53.17 3hw1 s MET 215 Cb -0.05 -1.72 -0.09 0.00 2.84 0.00 0.00 34.83 35.82 3hw1 s MET 215 CO 0.76 0.44 2.04 -3.47 -0.65 0.00 0.00 175.02 174.13 3hw1 n ASP 216 N 1.66 3.69 0.24 1.11 -0.08 -1.26 -4.84 116.55 117.07 3hw1 n ASP 216 Ca -0.17 0.69 0.17 0.00 -1.51 0.00 0.00 54.79 53.96 3hw1 n ASP 216 Cb 0.53 -1.49 0.83 0.00 2.34 0.00 0.00 41.12 43.32 3hw1 n ASP 216 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hw1 h LYS 218 N 0.00 0.48 0.00 0.00 1.57 -1.80 -1.69 116.57 115.13 3hw1 h LYS 218 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hw1 h LYS 218 Cb 0.15 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hw1 h LYS 218 CO 0.00 0.32 -0.01 0.93 -0.57 0.00 0.00 179.45 180.12 3hw1 h GLU 219 N 0.49 0.00 -0.01 3.15 4.39 -1.15 -2.57 114.58 118.89 3hw1 h GLU 219 Ca 0.33 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.85 3hw1 h GLU 219 Cb 0.61 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3hw1 h GLU 219 CO -0.11 0.01 -0.82 1.88 -1.16 0.00 0.00 179.01 178.81 3hw1 h TYR 220 N 0.00 0.24 -0.78 4.33 0.99 -1.47 -3.27 116.97 117.00 3hw1 h TYR 220 Ca -0.00 -0.13 -0.54 0.00 2.00 0.00 0.00 58.73 60.06 3hw1 h TYR 220 Cb 0.02 -0.03 -0.33 0.00 1.00 0.00 0.00 36.73 37.38 3hw1 h TYR 220 CO 0.00 0.91 -0.09 0.09 -0.00 0.00 0.00 178.16 179.07 3hw1 n ASN 221 N -3.68 5.53 -4.38 3.88 3.02 -1.00 -4.36 115.26 114.27 3hw1 n ASN 221 Ca -0.03 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.34 3hw1 n ASN 221 Cb 0.77 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 39.21 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 -3.63 3.25 -0.38 3.10 5.04 -1.02 -1.35 117.35 122.36 3hw1 s TYR 222 Ca 0.55 -0.97 0.15 0.00 -2.44 0.00 0.00 57.07 54.37 3hw1 s TYR 222 Cb 0.45 -2.47 0.70 0.00 0.35 0.00 0.00 41.96 40.99 3hw1 s TYR 222 CO 0.02 -0.66 1.61 -0.40 -1.34 0.00 0.00 175.55 174.78 3hw1 n ASP 223 N 5.01 4.93 -3.61 4.32 5.68 -1.26 -3.77 116.55 127.84 3hw1 n ASP 223 Ca -0.12 -2.86 -0.01 0.00 -0.50 0.00 0.00 54.79 51.30 3hw1 n ASP 223 Cb 0.46 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 39.81 3hw1 n ASP 223 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3hw1 s LYS 224 N -2.59 0.23 -0.19 0.11 -2.85 -0.46 -4.82 119.74 109.18 3hw1 s LYS 224 Ca 0.49 -0.10 -0.01 0.00 -1.00 0.00 0.00 55.97 55.35 3hw1 s LYS 224 Cb 0.37 0.09 0.05 0.00 -2.06 0.00 0.00 37.83 36.29 3hw1 s LYS 224 CO 0.15 -0.10 -0.03 -1.12 0.10 0.00 0.00 175.35 174.35 3hw1 s SER 225 N -2.44 3.09 0.25 0.03 0.01 -1.26 -0.05 113.70 113.33 3hw1 s SER 225 Ca 0.12 -0.83 0.10 0.00 1.31 0.00 0.00 55.95 56.65 3hw1 s SER 225 Cb 0.02 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 3hw1 s SER 225 CO -0.04 -0.23 -0.04 0.27 0.41 0.00 0.00 173.24 173.61 3hw1 s ILE 226 N 1.64 3.31 -0.41 1.44 -4.36 0.28 -0.30 121.20 122.80 3hw1 s ILE 226 Ca -0.01 -1.90 -0.09 0.00 -0.26 0.00 0.00 60.65 58.38 3hw1 s ILE 226 Cb -0.17 -2.74 0.07 0.00 1.25 0.00 0.00 42.46 40.87 3hw1 s ILE 226 CO -0.07 -0.32 0.25 -0.69 0.24 0.00 0.00 174.94 174.35 3hw1 s VAL 227 N -2.21 4.28 -0.31 8.37 1.01 -1.04 0.46 120.40 130.97 3hw1 s VAL 227 Ca 0.30 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3hw1 s VAL 227 Cb -0.07 -3.58 0.09 0.00 0.00 0.00 0.00 36.38 32.83 3hw1 s VAL 227 CO 0.18 -0.45 0.04 -0.62 0.00 0.00 0.00 175.10 174.25 3hw1 s ASP 228 N 2.01 4.36 0.03 3.32 2.15 -0.98 -4.51 116.67 123.07 3hw1 s ASP 228 Ca 0.03 -1.79 0.12 0.00 0.43 0.00 0.00 52.55 51.34 3hw1 s ASP 228 Cb -0.22 -1.31 0.53 0.00 -0.30 0.00 0.00 42.92 41.62 3hw1 s ASP 228 CO 0.03 -0.36 1.39 -1.54 -0.17 0.00 0.00 175.17 174.52 3hw1 n SER 229 N 4.52 0.08 -0.97 -0.34 3.41 -1.26 -2.25 113.62 116.80 3hw1 n SER 229 Ca -0.01 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.20 3hw1 n SER 229 Cb 0.42 -0.54 0.24 0.00 -0.26 0.00 0.00 64.21 64.08 3hw1 n SER 229 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hw1 n GLY 230 N -0.36 1.45 3.30 5.00 0.00 -1.25 -4.68 105.19 108.64 3hw1 n GLY 230 Ca 0.02 -0.58 -0.32 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 -1.32 2.35 -0.03 2.61 2.01 -0.96 -4.96 115.64 115.35 3hw1 s THR 231 Ca 0.36 -0.94 -0.13 0.00 0.31 0.00 0.00 61.69 61.28 3hw1 s THR 231 Cb 0.19 -1.90 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 3hw1 s THR 231 CO 0.24 0.56 0.60 0.74 -0.69 0.00 0.00 174.62 176.08 3hw1 h THR 232 N 5.22 0.00 -4.14 -0.82 2.02 -1.88 0.12 112.91 113.43 3hw1 h THR 232 Ca -0.29 -0.48 -0.49 0.00 0.77 0.00 0.00 66.41 65.92 3hw1 h THR 232 Cb 1.20 0.00 0.14 0.00 -1.74 0.00 0.00 68.15 67.75 3hw1 h THR 232 CO 0.49 0.00 0.27 0.20 0.37 0.00 0.00 175.52 176.85 3hw1 s ASN 233 N -4.47 3.78 -0.31 4.18 -0.87 -1.26 -1.10 114.94 114.88 3hw1 s ASN 233 Ca -0.07 1.55 -0.26 0.00 -1.57 0.00 0.00 52.86 52.51 3hw1 s ASN 233 Cb 0.01 -2.24 0.01 0.00 -0.02 0.00 0.00 41.25 39.00 3hw1 s ASN 233 CO 0.20 -2.46 0.92 -0.22 -2.57 0.00 0.00 177.10 172.97 3hw1 s LEU 234 N -6.12 4.03 -0.14 0.60 2.96 -0.74 -2.75 118.68 116.52 3hw1 s LEU 234 Ca 0.63 0.87 -0.05 0.00 -0.22 0.00 0.00 54.13 55.36 3hw1 s LEU 234 Cb -0.18 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3hw1 s LEU 234 CO 0.57 -0.72 0.03 -0.13 -1.32 0.00 0.00 176.35 174.77 3hw1 s ARG 235 N 3.24 3.52 0.09 1.98 0.52 -0.48 -1.96 118.95 125.86 3hw1 s ARG 235 Ca 0.38 -0.38 0.08 0.00 -0.52 0.00 0.00 55.73 55.29 3hw1 s ARG 235 Cb -0.13 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 32.29 3hw1 s ARG 235 CO 0.13 0.47 -0.20 -0.51 0.02 0.00 0.00 175.30 175.21 3hw1 s LEU 236 N -0.21 2.28 0.08 2.53 1.43 -0.71 -1.36 118.68 122.72 3hw1 s LEU 236 Ca 0.06 -0.66 -0.36 0.00 -1.03 0.00 0.00 54.13 52.15 3hw1 s LEU 236 Cb -0.12 -0.83 -0.15 0.00 0.03 0.00 0.00 46.19 45.12 3hw1 s LEU 236 CO 0.02 0.05 1.52 -2.65 0.23 0.00 0.00 176.35 175.51 3hw1 n PRO 237 N 1.20 1.67 -0.02 1.29 -0.02 -1.26 -0.12 135.00 137.74 3hw1 n PRO 237 Ca -0.20 0.60 -0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3hw1 n PRO 237 Cb 0.54 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3hw1 n PRO 237 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hw1 n LYS 238 N 3.47 -0.02 -0.03 -0.52 4.81 -0.95 0.66 118.16 125.58 3hw1 n LYS 238 Ca 0.19 0.07 -0.10 0.00 -0.87 0.00 0.00 58.31 57.60 3hw1 n LYS 238 Cb 0.24 -0.10 -0.04 0.00 0.02 0.00 0.00 35.03 35.15 3hw1 n LYS 238 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3hw1 h LYS 239 N 0.00 0.17 -0.63 1.64 3.64 -1.90 -1.41 116.57 118.07 3hw1 h LYS 239 Ca 0.01 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3hw1 h LYS 239 Cb 0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3hw1 h LYS 239 CO -0.04 0.11 0.06 0.28 -2.27 0.00 0.00 179.45 177.59 3hw1 h VAL 240 N 0.17 1.26 0.08 2.00 2.07 -0.07 -3.12 116.25 118.65 3hw1 h VAL 240 Ca 0.07 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3hw1 h VAL 240 Cb 0.01 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3hw1 h VAL 240 CO -0.05 0.40 -0.05 0.15 0.02 0.00 0.00 177.57 178.04 3hw1 h PHE 241 N 0.99 -0.14 -0.51 1.57 3.57 -0.25 -1.12 116.94 121.05 3hw1 h PHE 241 Ca 0.19 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3hw1 h PHE 241 Cb 0.48 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 3hw1 h PHE 241 CO 0.03 -0.09 0.20 0.93 -2.23 0.00 0.00 178.31 177.16 3hw1 h GLU 242 N -0.14 0.38 -0.17 1.11 5.08 -1.29 0.06 114.58 119.61 3hw1 h GLU 242 Ca -0.01 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3hw1 h GLU 242 Cb 0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3hw1 h GLU 242 CO 0.00 0.25 -0.48 0.00 -1.00 0.00 0.00 179.01 177.79 3hw1 h ALA 243 N 1.33 0.87 -0.14 3.43 0.00 -1.46 -0.78 119.26 122.51 3hw1 h ALA 243 Ca 0.25 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hw1 h ALA 243 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hw1 h ALA 243 CO -0.24 0.66 0.02 0.00 0.00 0.00 0.00 179.25 179.69 3hw1 h ALA 244 N 1.15 0.18 -0.45 0.00 0.00 -0.64 -1.36 119.26 118.14 3hw1 h ALA 244 Ca 0.02 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3hw1 h ALA 244 Cb 0.97 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hw1 h ALA 244 CO 0.08 -0.16 -0.16 0.28 0.00 0.00 0.00 179.25 179.30 3hw1 h VAL 245 N 0.00 1.27 -0.79 0.00 2.07 -0.91 0.52 116.25 118.41 3hw1 h VAL 245 Ca 0.04 -1.27 0.06 0.00 0.82 0.00 0.00 66.70 66.36 3hw1 h VAL 245 Cb 0.30 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 3hw1 h VAL 245 CO 0.00 0.43 0.47 0.50 0.02 0.00 0.00 177.57 179.00 3hw1 h LYS 246 N 0.76 0.83 -0.14 1.57 3.64 -1.08 0.27 116.57 122.42 3hw1 h LYS 246 Ca 0.12 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.24 3hw1 h LYS 246 Cb 0.68 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3hw1 h LYS 246 CO 0.05 0.55 -0.70 1.03 -2.27 0.00 0.00 179.45 178.11 3hw1 h SER 247 N 0.85 0.86 -0.55 4.20 0.87 -0.80 -2.36 113.55 116.63 3hw1 h SER 247 Ca 0.35 -0.63 -0.09 0.00 -1.23 0.00 0.00 61.79 60.19 3hw1 h SER 247 Cb 0.19 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3hw1 h SER 247 CO -0.18 1.35 0.00 0.40 -0.53 0.00 0.00 176.83 177.87 3hw1 h ILE 248 N 0.42 1.26 0.17 2.23 2.04 -0.72 -2.04 117.51 120.87 3hw1 h ILE 248 Ca -0.05 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.72 3hw1 h ILE 248 Cb 1.34 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 3hw1 h ILE 248 CO 0.14 0.40 -0.46 0.11 0.00 0.00 0.00 178.15 178.34 3hw1 h LYS 249 N 0.85 -0.70 -0.76 2.37 1.57 -0.47 -1.81 116.57 117.62 3hw1 h LYS 249 Ca 0.16 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 3hw1 h LYS 249 Cb 0.53 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 3hw1 h LYS 249 CO 0.03 -0.46 0.50 0.00 -0.57 0.00 0.00 179.45 178.94 3hw1 h ALA 250 N -0.35 1.66 0.00 3.86 0.00 -1.33 -2.27 119.26 120.84 3hw1 h ALA 250 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3hw1 h ALA 250 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hw1 h ALA 250 CO -0.23 0.22 -0.48 0.00 0.00 0.00 0.00 179.25 178.76 3hw1 h ALA 251 N 1.59 0.81 -0.42 0.00 0.00 -1.11 -3.16 119.26 116.96 3hw1 h ALA 251 Ca 0.33 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3hw1 h ALA 251 Cb 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3hw1 h ALA 251 CO -0.11 0.60 0.06 -1.13 0.00 0.00 0.00 179.25 178.67 3hw1 n SER 252 N -3.39 3.85 0.09 0.00 3.41 -0.70 -4.77 113.62 112.11 3hw1 n SER 252 Ca 0.01 -3.25 0.10 0.00 -0.26 0.00 0.00 58.87 55.47 3hw1 n SER 252 Cb 0.64 -0.62 0.43 0.00 -0.26 0.00 0.00 64.21 64.39 3hw1 n SER 252 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hw1 n SER 253 N -0.54 0.44 -0.23 4.04 3.41 -0.91 -2.88 113.62 116.94 3hw1 n SER 253 Ca 0.30 0.62 0.04 0.00 -0.26 0.00 0.00 58.87 59.56 3hw1 n SER 253 Cb 1.07 -0.71 0.28 0.00 -0.26 0.00 0.00 64.21 64.59 3hw1 n SER 253 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3hw1 h THR 254 N 0.00 1.10 -3.44 6.66 1.35 -1.88 -3.38 112.91 113.31 3hw1 h THR 254 Ca 0.00 -0.32 -0.67 0.00 -0.55 0.00 0.00 66.41 64.87 3hw1 h THR 254 Cb 0.30 0.08 -0.15 0.00 -1.73 0.00 0.00 68.15 66.65 3hw1 h THR 254 CO 0.00 0.17 -0.66 -1.61 -0.25 0.00 0.00 175.52 173.17 3hw1 s GLU 255 N -5.81 2.74 0.06 4.72 2.02 -1.14 -5.14 118.70 116.15 3hw1 s GLU 255 Ca -0.11 -0.62 0.10 0.00 0.02 0.00 0.00 54.97 54.36 3hw1 s GLU 255 Cb 0.19 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 3hw1 s GLU 255 CO 0.78 0.63 -0.26 0.15 0.02 0.00 0.00 175.26 176.58 3hw1 s LYS 256 N -1.41 1.73 0.17 1.61 -0.14 -1.26 -4.92 119.74 115.52 3hw1 s LYS 256 Ca 0.18 -1.15 0.08 0.00 -1.36 0.00 0.00 55.97 53.71 3hw1 s LYS 256 Cb -0.11 -1.97 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 3hw1 s LYS 256 CO 0.08 0.50 -0.17 -0.06 -0.76 0.00 0.00 175.35 174.94 3hw1 s PHE 257 N -0.85 1.76 0.49 3.18 0.40 -1.26 -5.13 117.98 116.57 3hw1 s PHE 257 Ca 0.12 -0.50 -0.21 0.00 -0.60 0.00 0.00 56.93 55.74 3hw1 s PHE 257 Cb -0.10 -0.86 -0.07 0.00 0.51 0.00 0.00 43.02 42.49 3hw1 s PHE 257 CO 0.03 0.33 1.11 -1.25 0.70 0.00 0.00 175.22 176.13 3hw1 s PRO 258 N -3.01 3.65 0.39 0.24 0.04 -1.26 -4.88 135.00 130.17 3hw1 s PRO 258 Ca 0.17 1.58 0.23 0.00 0.04 0.00 0.00 61.00 63.02 3hw1 s PRO 258 Cb -0.04 -2.18 1.31 0.00 0.04 0.00 0.00 34.50 33.63 3hw1 s PRO 258 CO 0.06 -0.60 1.63 -0.44 0.04 0.00 0.00 177.00 177.69 3hw1 h ASP 259 N 1.63 0.34 0.14 6.66 3.45 -2.01 0.17 116.42 126.80 3hw1 h ASP 259 Ca -0.50 0.18 -0.02 0.00 0.43 0.00 0.00 57.03 57.13 3hw1 h ASP 259 Cb 1.24 0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 40.17 3hw1 h ASP 259 CO 0.59 -0.23 -0.09 1.23 -1.57 0.00 0.00 179.24 179.16 3hw1 h GLY 260 N 0.13 0.00 0.83 2.75 0.00 -1.97 -2.52 103.07 102.30 3hw1 h GLY 260 Ca 0.80 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 48.08 3hw1 h GLY 260 CO -0.56 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.17 3hw1 h PHE 261 N 0.00 0.50 0.00 5.60 3.57 -0.85 -2.35 116.94 123.41 3hw1 h PHE 261 Ca -0.00 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 3hw1 h PHE 261 Cb 0.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3hw1 h PHE 261 CO 0.00 0.68 -0.18 -1.49 -2.23 0.00 0.00 178.31 175.09 3hw1 h TRP 262 N 0.18 0.00 -0.07 0.41 4.06 -1.50 -1.74 115.95 117.29 3hw1 h TRP 262 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3hw1 h TRP 262 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 3hw1 h TRP 262 CO 0.05 0.18 0.00 1.28 -3.56 0.00 0.00 178.44 176.39 3hw1 n LEU 263 N -4.13 0.40 0.00 -4.49 4.77 -0.98 -4.88 117.00 107.68 3hw1 n LEU 263 Ca -0.02 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3hw1 n LEU 263 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3hw1 n LEU 263 CO 0.35 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3hw1 n GLY 264 N 0.59 0.58 0.00 -0.72 0.00 -0.65 -4.94 105.19 100.04 3hw1 n GLY 264 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.84 0.00 -1.76 1.61 1.02 -0.94 -4.76 120.64 112.97 3hw1 n GLU 265 Ca 0.00 0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 3hw1 n GLU 265 Cb 0.00 -0.21 -0.03 0.00 -0.02 0.00 0.00 31.44 31.18 3hw1 n GLU 265 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3hw1 s GLN 266 N -0.19 4.13 0.96 3.49 -0.21 -0.93 -4.94 119.66 121.98 3hw1 s GLN 266 Ca 0.00 2.58 -0.11 0.00 0.02 0.00 0.00 55.36 57.84 3hw1 s GLN 266 Cb 0.00 -3.08 0.17 0.00 1.00 0.00 0.00 33.01 31.10 3hw1 s GLN 266 CO 0.00 -0.72 1.09 -0.51 -2.12 0.00 0.00 175.29 173.03 3hw1 s LEU 267 N 1.00 2.10 0.02 2.90 1.43 -1.26 -4.37 118.68 120.49 3hw1 s LEU 267 Ca 0.73 1.72 0.02 0.00 -1.03 0.00 0.00 54.13 55.57 3hw1 s LEU 267 Cb -0.49 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 3hw1 s LEU 267 CO 0.34 -3.15 -0.08 -0.69 0.23 0.00 0.00 176.35 172.99 3hw1 s VAL 268 N -2.73 0.60 -0.01 -1.59 1.01 -0.33 -4.94 120.40 112.42 3hw1 s VAL 268 Ca 0.66 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.00 3hw1 s VAL 268 Cb -0.21 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.60 3hw1 s VAL 268 CO 0.59 -0.06 -0.03 0.00 0.00 0.00 0.00 175.10 175.60 3hw1 s TRP 270 N 0.05 2.40 0.55 0.00 0.51 -0.75 -4.98 118.94 116.73 3hw1 s TRP 270 Ca -0.00 -0.47 -0.21 0.00 -2.12 0.00 0.00 56.10 53.29 3hw1 s TRP 270 Cb -0.03 -1.34 -0.04 0.00 -0.81 0.00 0.00 33.47 31.24 3hw1 s TRP 270 CO -0.00 0.60 1.33 -0.65 -0.51 0.00 0.00 176.95 177.71 3hw1 s GLN 271 N -3.60 3.11 -0.03 4.98 -0.21 -1.26 -0.75 119.66 121.90 3hw1 s GLN 271 Ca 0.32 2.16 -0.37 0.00 0.02 0.00 0.00 55.36 57.49 3hw1 s GLN 271 Cb 0.01 -2.20 -0.15 0.00 1.00 0.00 0.00 33.01 31.67 3hw1 s GLN 271 CO 0.16 -1.19 1.56 0.00 -2.12 0.00 0.00 175.29 173.70 3hw1 n ALA 272 N -1.12 -0.14 -0.88 6.09 0.00 -1.26 -1.43 120.51 121.77 3hw1 n ALA 272 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3hw1 n ALA 272 Cb 0.46 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 3.37 0.84 0.99 0.00 0.00 -1.26 -4.91 105.19 104.23 3hw1 n GLY 273 Ca 0.21 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.23 2.39 -2.31 2.61 -2.24 -0.51 -5.01 114.28 106.98 3hw1 n THR 274 Ca 0.00 -2.17 -0.43 0.00 -2.27 0.00 0.00 64.05 59.18 3hw1 n THR 274 Cb 0.00 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 3hw1 n THR 274 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hw1 s THR 275 N -2.98 4.08 -1.39 4.28 2.01 -1.26 -4.84 115.64 115.55 3hw1 s THR 275 Ca 0.43 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.63 3hw1 s THR 275 Cb 0.36 -3.85 0.09 0.00 0.01 0.00 0.00 72.50 69.11 3hw1 s THR 275 CO 0.06 -0.11 2.08 -0.81 -0.69 0.00 0.00 174.62 175.15 3hw1 n PRO 276 N 6.61 3.16 -0.29 4.92 -0.04 -1.26 -4.74 135.00 143.36 3hw1 n PRO 276 Ca 0.15 -2.98 0.07 0.00 -0.04 0.00 0.00 63.50 60.69 3hw1 n PRO 276 Cb 0.44 -3.15 0.21 0.00 -0.04 0.00 0.00 33.50 30.96 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 5.95 0.71 0.00 0.54 4.06 -1.95 -2.45 115.95 122.80 3hw1 h TRP 277 Ca 0.50 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.48 3hw1 h TRP 277 Cb 0.64 -0.19 0.00 0.00 -1.00 0.00 0.00 29.16 28.61 3hw1 h TRP 277 CO 1.38 0.16 0.00 -2.95 -3.56 0.00 0.00 178.44 173.46 3hw1 h ASN 278 N 0.58 0.00 1.82 -3.49 7.08 -2.01 -0.62 115.58 118.93 3hw1 h ASN 278 Ca 0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.67 3hw1 h ASN 278 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.88 3hw1 h ASN 278 CO -0.37 0.00 -0.03 0.16 -2.08 0.00 0.00 177.43 175.12 3hw1 h ILE 279 N 0.00 0.00 -3.31 6.14 3.07 -1.82 -3.45 117.51 118.15 3hw1 h ILE 279 Ca 0.00 -0.84 -0.56 0.00 1.55 0.00 0.00 64.86 65.00 3hw1 h ILE 279 Cb 0.19 1.83 -0.04 0.00 -0.27 0.00 0.00 36.82 38.54 3hw1 h ILE 279 CO 0.00 0.00 -0.08 -0.36 -1.05 0.00 0.00 178.15 176.66 3hw1 s PHE 280 N -3.18 3.64 0.68 0.16 0.08 -0.24 -3.76 117.98 115.35 3hw1 s PHE 280 Ca 0.08 1.09 -0.11 0.00 0.12 0.00 0.00 56.93 58.11 3hw1 s PHE 280 Cb 0.07 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.14 3hw1 s PHE 280 CO 0.65 0.45 1.06 -1.25 -0.10 0.00 0.00 175.22 176.04 3hw1 s PRO 281 N -1.83 3.01 0.03 0.24 0.04 -1.26 -4.78 135.00 130.46 3hw1 s PRO 281 Ca 0.36 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 61.72 3hw1 s PRO 281 Cb -0.16 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 3hw1 s PRO 281 CO 0.19 -0.90 0.45 0.08 0.04 0.00 0.00 177.00 176.85 3hw1 s VAL 282 N -3.28 4.97 -0.15 -0.36 1.01 -1.26 -4.14 120.40 117.18 3hw1 s VAL 282 Ca 0.57 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 3hw1 s VAL 282 Cb -0.11 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3hw1 s VAL 282 CO 0.51 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 175.39 3hw1 s ILE 283 N -1.14 2.99 -0.07 2.22 1.01 -0.55 0.11 121.20 125.76 3hw1 s ILE 283 Ca 0.27 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.31 3hw1 s ILE 283 Cb -0.17 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3hw1 s ILE 283 CO 0.15 0.50 -0.24 -0.44 0.00 0.00 0.00 174.94 174.91 3hw1 s SER 284 N 0.70 3.11 -0.21 3.58 0.01 0.26 -0.64 113.70 120.50 3hw1 s SER 284 Ca -0.06 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 3hw1 s SER 284 Cb -0.15 -1.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 3hw1 s SER 284 CO 0.02 0.22 -0.05 -0.76 0.41 0.00 0.00 173.24 173.07 3hw1 s LEU 285 N -0.00 2.87 -0.18 2.44 1.43 0.73 -1.29 118.68 124.68 3hw1 s LEU 285 Ca -0.08 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 3hw1 s LEU 285 Cb -0.15 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3hw1 s LEU 285 CO 0.05 0.01 0.72 -0.31 0.23 0.00 0.00 176.35 177.05 3hw1 s TYR 286 N 1.31 3.41 0.14 0.29 1.51 -0.39 -0.54 117.35 123.07 3hw1 s TYR 286 Ca 0.04 1.09 0.05 0.00 -1.01 0.00 0.00 57.07 57.23 3hw1 s TYR 286 Cb -0.14 -2.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 3hw1 s TYR 286 CO -0.02 -0.19 0.11 -0.51 -1.11 0.00 0.00 175.55 173.83 3hw1 s LEU 287 N 1.95 3.77 0.39 -1.29 1.43 0.18 -1.46 118.68 123.66 3hw1 s LEU 287 Ca 0.33 -0.11 -0.28 0.00 -1.03 0.00 0.00 54.13 53.05 3hw1 s LEU 287 Cb -0.16 -2.41 -0.11 0.00 0.03 0.00 0.00 46.19 43.54 3hw1 s LEU 287 CO 0.12 0.10 1.48 0.80 0.23 0.00 0.00 176.35 179.08 3hw1 n MET 288 N -0.08 2.62 -2.82 1.70 0.00 -0.25 -2.72 117.12 115.57 3hw1 n MET 288 Ca -0.09 0.92 -0.21 0.00 -0.00 0.00 0.00 57.70 58.33 3hw1 n MET 288 Cb 0.54 -2.67 0.07 0.00 0.00 0.00 0.00 33.22 31.15 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 -0.18 1.78 0.32 -5.12 0.00 -0.02 -4.28 107.32 99.82 3hw1 s GLY 289 Ca 0.54 -1.83 0.13 0.00 0.00 0.00 0.00 44.72 43.57 3hw1 s GLY 289 CO 0.63 -1.39 1.69 0.83 0.00 0.00 0.00 173.10 174.86 3hw1 h GLU 290 N -0.02 0.00 -6.12 2.90 4.39 -1.81 -3.43 114.58 110.49 3hw1 h GLU 290 Ca -0.35 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.75 3hw1 h GLU 290 Cb 1.28 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.87 3hw1 h GLU 290 CO 0.43 0.50 -0.55 0.08 -1.16 0.00 0.00 179.01 178.31 3hw1 s VAL 291 N -3.71 4.80 0.20 3.13 1.01 -1.26 -5.06 120.40 119.50 3hw1 s VAL 291 Ca -0.01 -0.78 -0.32 0.00 0.00 0.00 0.00 61.98 60.87 3hw1 s VAL 291 Cb 0.12 -3.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 3hw1 s VAL 291 CO 0.73 0.02 1.63 -0.89 0.00 0.00 0.00 175.10 176.59 3hw1 s THR 292 N -1.57 2.33 -0.89 3.92 2.01 -1.26 -2.64 115.64 117.54 3hw1 s THR 292 Ca 0.32 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.56 3hw1 s THR 292 Cb -0.12 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3hw1 s THR 292 CO 0.24 0.02 0.00 0.59 -0.69 0.00 0.00 174.62 174.79 3hw1 n ASN 293 N 3.73 -3.85 -4.25 3.53 3.02 -1.26 -5.02 115.26 111.17 3hw1 n ASN 293 Ca 0.14 0.17 -0.32 0.00 -0.03 0.00 0.00 54.58 54.54 3hw1 n ASN 293 Cb 0.37 -2.32 -0.17 0.00 -0.61 0.00 0.00 39.78 37.05 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 -3.08 2.73 0.31 3.52 -0.21 -1.08 -1.19 119.66 120.65 3hw1 s GLN 294 Ca 0.00 -0.89 0.10 0.00 0.02 0.00 0.00 55.36 54.60 3hw1 s GLN 294 Cb 0.00 -2.20 -0.06 0.00 1.00 0.00 0.00 33.01 31.75 3hw1 s GLN 294 CO 0.00 0.30 -0.11 -1.54 -2.12 0.00 0.00 175.29 171.82 3hw1 s SER 295 N 0.04 3.82 0.23 5.90 1.04 0.08 -0.84 113.70 123.96 3hw1 s SER 295 Ca -0.10 -1.05 0.09 0.00 0.48 0.00 0.00 55.95 55.38 3hw1 s SER 295 Cb -0.15 -0.40 -0.05 0.00 0.10 0.00 0.00 66.02 65.52 3hw1 s SER 295 CO 0.06 -0.09 -0.17 0.72 0.98 0.00 0.00 173.24 174.74 3hw1 s PHE 296 N -2.53 1.95 0.11 5.02 -0.12 -1.10 -0.28 117.98 121.02 3hw1 s PHE 296 Ca 0.32 -0.47 0.08 0.00 -0.05 0.00 0.00 56.93 56.81 3hw1 s PHE 296 Cb -0.02 -0.88 -0.04 0.00 -0.63 0.00 0.00 43.02 41.45 3hw1 s PHE 296 CO 0.17 0.49 -0.14 -0.98 -0.05 0.00 0.00 175.22 174.71 3hw1 s ARG 297 N -3.50 1.96 0.01 1.99 1.70 0.34 -0.64 118.95 120.81 3hw1 s ARG 297 Ca 0.25 -1.10 0.04 0.00 -0.47 0.00 0.00 55.73 54.45 3hw1 s ARG 297 Cb -0.03 -2.21 -0.03 0.00 -0.57 0.00 0.00 34.95 32.11 3hw1 s ARG 297 CO 0.10 0.50 -0.09 0.96 -1.08 0.00 0.00 175.30 175.69 3hw1 s ILE 298 N -1.17 3.49 -0.14 4.99 -4.36 0.30 -1.82 121.20 122.49 3hw1 s ILE 298 Ca 0.20 -0.85 -0.03 0.00 -0.26 0.00 0.00 60.65 59.71 3hw1 s ILE 298 Cb -0.11 -2.51 0.05 0.00 1.25 0.00 0.00 42.46 41.14 3hw1 s ILE 298 CO 0.12 0.38 0.04 -0.89 0.24 0.00 0.00 174.94 174.83 3hw1 s THR 299 N -0.98 0.30 0.19 8.37 2.01 -0.65 -0.19 115.64 124.69 3hw1 s THR 299 Ca 0.17 -0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.03 3hw1 s THR 299 Cb -0.11 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.64 3hw1 s THR 299 CO 0.07 -0.06 0.06 0.27 -0.69 0.00 0.00 174.62 174.27 3hw1 s ILE 300 N 1.98 3.99 0.36 1.82 -4.36 0.18 -2.01 121.20 123.16 3hw1 s ILE 300 Ca 0.02 -1.38 0.07 0.00 -0.26 0.00 0.00 60.65 59.10 3hw1 s ILE 300 Cb -0.15 -3.05 -0.01 0.00 1.25 0.00 0.00 42.46 40.50 3hw1 s ILE 300 CO -0.07 -0.17 0.46 -0.76 0.24 0.00 0.00 174.94 174.64 3hw1 s LEU 301 N -3.18 3.81 0.40 0.37 1.43 -1.26 -1.48 118.68 118.77 3hw1 s LEU 301 Ca 0.29 -0.33 0.15 0.00 -1.03 0.00 0.00 54.13 53.22 3hw1 s LEU 301 Cb -0.09 -2.60 1.02 0.00 0.03 0.00 0.00 46.19 44.55 3hw1 s LEU 301 CO 0.21 -0.51 1.86 1.55 0.23 0.00 0.00 176.35 179.69 3hw1 h PRO 302 N 0.90 0.46 -0.45 1.29 0.13 -1.87 -0.39 132.00 132.09 3hw1 h PRO 302 Ca -0.44 -0.03 0.13 0.00 -0.87 0.00 0.00 66.00 64.79 3hw1 h PRO 302 Cb 1.26 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3hw1 h PRO 302 CO 0.52 0.31 0.43 1.96 -0.23 0.00 0.00 178.00 180.98 3hw1 h GLN 303 N 0.48 0.00 0.17 0.86 7.50 -1.88 0.66 115.11 122.90 3hw1 h GLN 303 Ca 0.46 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 59.26 3hw1 h GLN 303 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.58 3hw1 h GLN 303 CO -0.19 0.00 -1.80 1.96 -1.50 0.00 0.00 178.83 177.30 3hw1 h GLN 304 N 0.00 0.36 -0.32 1.46 7.50 -1.36 -3.38 115.11 119.37 3hw1 h GLN 304 Ca 0.21 -0.62 0.00 0.00 0.50 0.00 0.00 58.65 58.74 3hw1 h GLN 304 Cb 1.06 0.23 0.00 0.00 0.05 0.00 0.00 27.48 28.82 3hw1 h GLN 304 CO -0.00 1.29 0.00 2.48 -1.50 0.00 0.00 178.83 181.10 3hw1 n TYR 305 N -3.56 0.40 -3.86 2.96 0.18 -0.59 -4.59 117.16 108.10 3hw1 n TYR 305 Ca -0.26 -0.20 -0.36 0.00 1.88 0.00 0.00 57.90 58.96 3hw1 n TYR 305 Cb 1.07 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.90 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 -1.57 4.21 -0.18 -3.48 1.43 0.22 -1.30 118.68 118.01 3hw1 s LEU 306 Ca 0.37 -1.39 -0.18 0.00 -1.03 0.00 0.00 54.13 51.89 3hw1 s LEU 306 Cb 0.22 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3hw1 s LEU 306 CO 0.31 -0.32 0.51 -0.60 0.23 0.00 0.00 176.35 176.48 3hw1 s ARG 307 N 1.26 4.23 0.37 1.70 3.52 -0.04 -4.73 118.95 125.26 3hw1 s ARG 307 Ca -0.02 0.43 -0.27 0.00 -0.13 0.00 0.00 55.73 55.74 3hw1 s ARG 307 Cb -0.20 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 3hw1 s ARG 307 CO -0.01 -0.07 1.27 -2.14 -0.81 0.00 0.00 175.30 173.54 3hw1 s PRO 308 N 1.37 4.14 0.00 5.12 0.02 -1.26 -0.99 135.00 143.41 3hw1 s PRO 308 Ca 0.25 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.38 3hw1 s PRO 308 Cb -0.15 -2.87 -0.01 0.00 0.02 0.00 0.00 34.50 31.49 3hw1 s PRO 308 CO 0.10 -0.33 -0.02 0.08 -0.33 0.00 0.00 177.00 176.50 3hw1 s VAL 309 N -1.24 0.15 -0.13 3.83 1.01 -0.80 -4.90 120.40 118.33 3hw1 s VAL 309 Ca 0.54 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.97 3hw1 s VAL 309 Cb -0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 3hw1 s VAL 309 CO 0.48 -0.06 1.44 -1.61 0.00 0.00 0.00 175.10 175.35 3hw1 s GLU 310 N -0.33 4.18 0.46 2.72 2.02 -1.26 -3.98 118.70 122.50 3hw1 s GLU 310 Ca -0.02 1.86 0.00 0.00 0.02 0.00 0.00 54.97 56.83 3hw1 s GLU 310 Cb -0.03 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.33 3hw1 s GLU 310 CO -0.00 -0.81 0.00 -0.25 0.02 0.00 0.00 175.26 174.22 3hw1 n ASP 317 N 6.96 -6.74 -4.51 -0.19 9.92 -1.26 -5.03 116.55 115.69 3hw1 n ASP 317 Ca 0.16 1.37 -0.36 0.00 -0.53 0.00 0.00 54.79 55.43 3hw1 n ASP 317 Cb 0.44 -4.38 -0.12 0.00 -0.64 0.00 0.00 41.12 36.42 3hw1 n ASP 317 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3hw1 s ASP 318 N -4.73 5.38 0.18 -2.24 1.01 0.07 -4.71 116.67 111.64 3hw1 s ASP 318 Ca 0.00 -0.11 0.10 0.00 0.71 0.00 0.00 52.55 53.24 3hw1 s ASP 318 Cb 0.00 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 3hw1 s ASP 318 CO 0.00 0.01 -0.15 0.00 0.21 0.00 0.00 175.17 175.23 3hw1 s TYR 320 N -1.68 -0.14 -0.07 0.00 1.51 0.57 -1.90 117.35 115.64 3hw1 s TYR 320 Ca 0.23 0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.62 3hw1 s TYR 320 Cb -0.08 0.04 -0.00 0.00 -0.11 0.00 0.00 41.96 41.80 3hw1 s TYR 320 CO 0.13 -0.24 -0.23 0.21 -1.11 0.00 0.00 175.55 174.31 3hw1 s LYS 321 N -0.72 2.61 0.08 -0.62 2.20 -0.16 -1.18 119.74 121.95 3hw1 s LYS 321 Ca -0.08 -0.84 -0.31 0.00 -0.36 0.00 0.00 55.97 54.38 3hw1 s LYS 321 Cb -0.05 -2.11 -0.08 0.00 -1.51 0.00 0.00 37.83 34.09 3hw1 s LYS 321 CO 0.02 0.28 1.46 0.12 -0.36 0.00 0.00 175.35 176.87 3hw1 s PHE 322 N 0.08 2.97 -0.38 4.03 5.36 -1.26 -0.86 117.98 127.92 3hw1 s PHE 322 Ca -0.10 0.76 0.05 0.00 -0.96 0.00 0.00 56.93 56.68 3hw1 s PHE 322 Cb -0.15 -3.76 0.46 0.00 -0.34 0.00 0.00 43.02 39.23 3hw1 s PHE 322 CO 0.05 -2.81 1.44 0.00 -1.46 0.00 0.00 175.22 172.45 3hw1 n ALA 323 N 4.61 5.22 -3.82 11.12 0.00 -0.42 -4.53 120.51 132.69 3hw1 n ALA 323 Ca 0.13 -3.61 -0.25 0.00 0.00 0.00 0.00 53.44 49.71 3hw1 n ALA 323 Cb 0.42 -0.75 -0.17 0.00 0.00 0.00 0.00 19.45 18.95 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 -4.43 0.87 0.11 0.00 1.01 -1.26 -1.80 121.20 115.71 3hw1 s ILE 324 Ca 0.53 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 61.00 3hw1 s ILE 324 Cb 0.43 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 3hw1 s ILE 324 CO 0.02 0.34 -0.07 -0.94 0.00 0.00 0.00 174.94 174.28 3hw1 s SER 325 N 1.62 1.30 0.80 3.58 1.04 -0.83 -4.80 113.70 116.41 3hw1 s SER 325 Ca 0.02 -1.02 -0.12 0.00 0.48 0.00 0.00 55.95 55.31 3hw1 s SER 325 Cb -0.13 0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.14 3hw1 s SER 325 CO -0.06 -0.44 1.15 -1.58 0.98 0.00 0.00 173.24 173.29 3hw1 s GLN 326 N -3.82 1.84 0.01 4.02 0.74 -1.26 -1.73 119.66 119.45 3hw1 s GLN 326 Ca 0.14 1.51 -0.04 0.00 0.05 0.00 0.00 55.36 57.02 3hw1 s GLN 326 Cb 0.05 -1.82 -0.01 0.00 1.10 0.00 0.00 33.01 32.33 3hw1 s GLN 326 CO -0.03 -2.01 0.06 0.45 -0.55 0.00 0.00 175.29 173.21 3hw1 s SER 327 N -2.62 0.11 0.00 6.67 0.15 0.83 -4.60 113.70 114.24 3hw1 s SER 327 Ca 0.68 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 57.06 3hw1 s SER 327 Cb -0.23 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3hw1 s SER 327 CO 0.52 -0.33 0.56 -1.54 1.20 0.00 0.00 173.24 173.65 3hw1 n SER 328 N 1.57 1.17 -0.35 5.45 3.41 -1.26 -2.24 113.62 121.36 3hw1 n SER 328 Ca -0.23 -1.08 0.03 0.00 -0.26 0.00 0.00 58.87 57.33 3hw1 n SER 328 Cb 0.55 0.24 0.08 0.00 -0.26 0.00 0.00 64.21 64.83 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 -0.03 0.90 0.00 6.66 -2.24 -1.26 -4.85 114.28 113.46 3hw1 n THR 329 Ca 0.03 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 3hw1 n THR 329 Cb 0.12 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.11 -1.13 3.62 3.38 0.00 -1.25 -4.31 105.19 105.62 3hw1 n GLY 330 Ca 0.06 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.21 4.48 -0.36 2.61 2.01 0.93 -4.26 115.64 120.83 3hw1 s THR 331 Ca 0.00 1.52 -0.14 0.00 0.31 0.00 0.00 61.69 63.38 3hw1 s THR 331 Cb 0.00 -4.43 -0.00 0.00 0.01 0.00 0.00 72.50 68.08 3hw1 s THR 331 CO 0.00 -0.58 0.31 -0.69 -0.69 0.00 0.00 174.62 172.97 3hw1 s VAL 332 N 3.75 5.22 -1.06 3.82 1.01 -0.46 -0.55 120.40 132.12 3hw1 s VAL 332 Ca 0.44 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 3hw1 s VAL 332 Cb -0.11 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.54 3hw1 s VAL 332 CO 0.19 -0.13 1.40 -0.04 0.00 0.00 0.00 175.10 176.52 3hw1 s MET 333 N 1.85 3.71 0.00 2.72 -1.94 0.17 -1.39 119.30 124.43 3hw1 s MET 333 Ca 0.08 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 3hw1 s MET 333 Cb -0.17 -5.23 0.00 0.00 2.01 0.00 0.00 34.83 31.44 3hw1 s MET 333 CO 0.11 -2.04 0.00 0.41 -0.01 0.00 0.00 175.02 173.49 3hw1 n GLY 334 N 5.93 -0.32 0.37 -0.03 0.00 -1.11 -2.32 105.19 107.71 3hw1 n GLY 334 Ca 0.33 -1.68 0.05 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.87 1.45 -0.99 4.61 0.00 0.37 -0.62 119.26 122.21 3hw1 h ALA 335 Ca 0.00 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3hw1 h ALA 335 Cb 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 17.79 17.43 3hw1 h ALA 335 CO 0.00 0.35 0.61 -0.39 0.00 0.00 0.00 179.25 179.83 3hw1 h VAL 336 N 1.10 0.74 0.04 0.00 -1.51 -1.37 0.12 116.25 115.37 3hw1 h VAL 336 Ca 0.46 -0.26 -0.05 0.00 -1.23 0.00 0.00 66.70 65.63 3hw1 h VAL 336 Cb 0.30 -0.07 0.01 0.00 -2.13 0.00 0.00 31.29 29.40 3hw1 h VAL 336 CO -0.21 0.14 -0.22 0.40 -1.23 0.00 0.00 177.57 176.44 3hw1 h ILE 337 N 0.74 1.71 0.00 7.19 1.08 -1.64 -3.34 117.51 123.26 3hw1 h ILE 337 Ca 0.55 -2.37 -0.00 0.00 -0.39 0.00 0.00 64.86 62.64 3hw1 h ILE 337 Cb 0.88 3.31 -0.00 0.00 -3.07 0.00 0.00 36.82 37.94 3hw1 h ILE 337 CO -0.33 0.63 -0.02 0.24 -0.69 0.00 0.00 178.15 177.99 3hw1 h MET 338 N -0.81 0.00 0.00 2.37 2.86 -0.46 -2.51 114.93 116.38 3hw1 h MET 338 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hw1 h MET 338 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3hw1 h MET 338 CO 0.04 0.02 0.00 0.93 1.06 0.00 0.00 176.91 178.96 3hw1 h GLU 339 N 0.00 0.00 -0.00 1.72 5.08 -0.90 -2.77 114.58 117.70 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 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hw1 h GLU 339 CO 0.00 0.00 -0.23 0.41 -1.00 0.00 0.00 179.01 178.19 3hw1 n GLY 340 N 0.49 -1.05 2.95 -3.84 0.00 -0.94 -4.56 105.19 98.23 3hw1 n GLY 340 Ca 0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.71 -0.03 -0.24 1.61 0.40 -1.05 -1.05 117.98 114.91 3hw1 s PHE 341 Ca 0.21 0.08 -0.29 0.00 -0.60 0.00 0.00 56.93 56.33 3hw1 s PHE 341 Cb 0.19 -0.00 -0.01 0.00 0.51 0.00 0.00 43.02 43.71 3hw1 s PHE 341 CO 0.55 -0.06 1.38 -0.47 0.70 0.00 0.00 175.22 177.32 3hw1 s TYR 342 N -0.19 2.56 -0.39 0.36 5.04 0.11 -4.57 117.35 120.27 3hw1 s TYR 342 Ca -0.02 0.80 -0.05 0.00 -2.44 0.00 0.00 57.07 55.35 3hw1 s TYR 342 Cb -0.02 -3.84 0.09 0.00 0.35 0.00 0.00 41.96 38.54 3hw1 s TYR 342 CO 0.00 -2.08 0.19 0.08 -1.34 0.00 0.00 175.55 172.40 3hw1 s VAL 343 N 4.35 3.62 -0.24 3.14 1.01 -0.98 -1.06 120.40 130.24 3hw1 s VAL 343 Ca 0.60 -1.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 3hw1 s VAL 343 Cb -0.20 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3hw1 s VAL 343 CO 0.23 -0.51 0.76 -0.69 0.00 0.00 0.00 175.10 174.88 3hw1 s VAL 344 N 1.28 4.89 -1.15 2.92 1.01 0.49 -1.75 120.40 128.08 3hw1 s VAL 344 Ca 0.04 1.43 -0.10 0.00 0.00 0.00 0.00 61.98 63.35 3hw1 s VAL 344 Cb -0.22 -4.06 0.25 0.00 0.00 0.00 0.00 36.38 32.35 3hw1 s VAL 344 CO -0.01 -0.02 1.31 0.49 0.00 0.00 0.00 175.10 176.87 3hw1 n PHE 345 N 5.80 4.60 -2.66 5.22 3.72 0.25 0.59 117.46 134.98 3hw1 n PHE 345 Ca 0.03 -3.49 -0.43 0.00 -0.05 0.00 0.00 57.45 53.51 3hw1 n PHE 345 Cb 0.48 -1.79 0.00 0.00 -0.94 0.00 0.00 39.48 37.23 3hw1 n PHE 345 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3hw1 n ASP 346 N 3.37 5.05 0.14 4.37 2.03 0.18 -2.96 116.55 128.73 3hw1 n ASP 346 Ca 0.29 -2.99 0.09 0.00 0.52 0.00 0.00 54.79 52.70 3hw1 n ASP 346 Cb 0.39 -1.59 0.59 0.00 -0.72 0.00 0.00 41.12 39.79 3hw1 n ASP 346 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3hw1 h ARG 347 N 6.81 0.15 -0.57 -0.67 3.08 -1.73 -0.74 114.38 120.71 3hw1 h ARG 347 Ca 0.38 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.36 3hw1 h ARG 347 Cb 0.80 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3hw1 h ARG 347 CO 1.41 0.10 0.12 0.00 -1.07 0.00 0.00 179.97 180.54 3hw1 h ALA 348 N 1.89 1.14 -0.35 0.04 0.00 -1.67 -2.89 119.26 117.42 3hw1 h ALA 348 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hw1 h ALA 348 Cb 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hw1 h ALA 348 CO -0.01 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.35 3hw1 n ARG 349 N -4.26 2.88 -3.22 0.00 1.74 -1.01 -5.00 116.66 107.80 3hw1 n ARG 349 Ca 0.04 -2.10 -0.15 0.00 -0.77 0.00 0.00 57.85 54.87 3hw1 n ARG 349 Cb 0.24 -1.30 0.07 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.48 -2.44 -3.52 5.56 4.81 -0.35 -4.95 118.16 117.75 3hw1 n LYS 350 Ca 0.12 0.85 -0.08 0.00 -0.87 0.00 0.00 58.31 58.33 3hw1 n LYS 350 Cb 0.45 -5.74 -0.02 0.00 0.02 0.00 0.00 35.03 29.74 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 -4.41 0.73 -0.18 1.64 1.70 -0.77 -1.57 118.95 116.08 3hw1 s ARG 351 Ca 0.42 -0.22 0.01 0.00 -0.47 0.00 0.00 55.73 55.47 3hw1 s ARG 351 Cb -0.06 0.34 0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3hw1 s ARG 351 CO 0.72 -0.31 -0.16 0.42 -1.08 0.00 0.00 175.30 174.89 3hw1 s ILE 352 N -2.77 1.90 -0.17 4.99 1.01 -0.03 -0.65 121.20 125.48 3hw1 s ILE 352 Ca 0.05 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 3hw1 s ILE 352 Cb -0.01 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3hw1 s ILE 352 CO -0.07 0.41 0.08 -0.83 0.00 0.00 0.00 174.94 174.53 3hw1 s GLY 353 N 1.33 1.95 -0.09 6.18 0.00 0.20 -1.04 107.32 115.85 3hw1 s GLY 353 Ca 0.03 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 44.03 3hw1 s GLY 353 CO -0.11 -0.01 -0.11 -1.36 0.00 0.00 0.00 173.10 171.51 3hw1 s PHE 354 N 0.15 2.84 0.03 1.90 0.40 0.49 0.18 117.98 123.96 3hw1 s PHE 354 Ca 0.06 -0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.10 3hw1 s PHE 354 Cb -0.12 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 3hw1 s PHE 354 CO 0.00 0.07 -0.01 0.00 0.70 0.00 0.00 175.22 175.98 3hw1 s ALA 355 N -0.28 0.20 0.18 5.36 0.00 -0.22 -1.66 121.76 125.34 3hw1 s ALA 355 Ca 0.03 -0.75 -0.33 0.00 0.00 0.00 0.00 51.96 50.91 3hw1 s ALA 355 Cb -0.13 0.19 -0.13 0.00 0.00 0.00 0.00 23.12 23.05 3hw1 s ALA 355 CO 0.03 -0.24 1.61 0.28 0.00 0.00 0.00 175.76 177.44 3hw1 n VAL 356 N 1.10 0.09 -2.68 0.00 0.31 -1.24 0.05 118.33 115.95 3hw1 n VAL 356 Ca -0.21 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 3hw1 n VAL 356 Cb 0.57 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.79 3hw1 n VAL 356 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3hw1 s SER 357 N 0.93 7.40 0.55 4.52 0.15 -0.22 -2.71 113.70 124.33 3hw1 s SER 357 Ca 0.77 1.78 0.33 0.00 0.70 0.00 0.00 55.95 59.53 3hw1 s SER 357 Cb -0.62 -2.58 1.35 0.00 -1.71 0.00 0.00 66.02 62.46 3hw1 s SER 357 CO 0.37 -0.18 1.98 0.00 1.20 0.00 0.00 173.24 176.61 3hw1 h ALA 358 N 6.07 1.00 -0.68 5.45 0.00 -1.68 -2.96 119.26 126.46 3hw1 h ALA 358 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hw1 h ALA 358 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hw1 h ALA 358 CO 0.74 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.99 3hw1 s HIS 360 N -1.50 3.45 -0.09 0.00 -0.00 -1.12 -4.68 115.29 111.35 3hw1 s HIS 360 Ca 0.50 1.55 -0.30 0.00 -0.00 0.00 0.00 55.06 56.81 3hw1 s HIS 360 Cb 0.29 -2.78 -0.02 0.00 -0.00 0.00 0.00 32.58 30.08 3hw1 s HIS 360 CO 0.28 0.05 1.07 0.08 -0.00 0.00 0.00 174.74 176.22 3hw1 s VAL 361 N -1.94 4.62 0.20 -5.38 1.01 -1.26 -5.02 120.40 112.62 3hw1 s VAL 361 Ca 0.56 1.90 -0.22 0.00 0.00 0.00 0.00 61.98 64.21 3hw1 s VAL 361 Cb -0.12 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.09 3hw1 s VAL 361 CO 0.17 0.01 0.64 -1.38 0.00 0.00 0.00 175.10 174.54 3hw1 s HIS 362 N 2.05 -0.41 0.87 5.22 -0.00 -1.26 -4.75 115.29 117.01 3hw1 s HIS 362 Ca 0.51 0.11 -0.11 0.00 -0.00 0.00 0.00 55.06 55.57 3hw1 s HIS 362 Cb -0.20 0.61 0.16 0.00 -0.00 0.00 0.00 32.58 33.15 3hw1 s HIS 362 CO 0.19 -0.99 1.20 0.16 -0.00 0.00 0.00 174.74 175.31 3hw1 s ASP 363 N -2.81 3.68 0.58 7.38 1.47 -1.23 -4.97 116.67 120.77 3hw1 s ASP 363 Ca 0.05 0.17 0.28 0.00 1.18 0.00 0.00 52.55 54.22 3hw1 s ASP 363 Cb -0.03 -0.38 1.72 0.00 -0.34 0.00 0.00 42.92 43.89 3hw1 s ASP 363 CO -0.06 -2.35 2.21 -0.08 0.68 0.00 0.00 175.17 175.58 3hw1 h GLU 364 N -1.23 0.00 0.00 2.11 4.81 -2.04 -3.28 114.58 114.95 3hw1 h GLU 364 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3hw1 h GLU 364 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3hw1 h GLU 364 CO 0.43 0.00 -1.53 1.19 -0.73 0.00 0.00 179.01 178.37 3hw1 n PHE 365 N -3.94 0.00 -3.80 0.92 3.01 -1.26 -4.95 117.46 107.44 3hw1 n PHE 365 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 3hw1 n PHE 365 Cb 0.13 -0.29 -0.15 0.00 -0.01 0.00 0.00 39.48 39.15 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 -3.01 -0.01 0.22 -1.08 0.52 -1.24 -5.15 118.95 109.19 3hw1 s ARG 366 Ca -0.03 0.15 0.11 0.00 -0.52 0.00 0.00 55.73 55.43 3hw1 s ARG 366 Cb 0.11 -0.16 -0.05 0.00 0.52 0.00 0.00 34.95 35.38 3hw1 s ARG 366 CO 0.69 -0.11 -0.19 -0.08 0.02 0.00 0.00 175.30 175.62 3hw1 s THR 367 N 0.73 2.59 0.92 0.02 -1.32 -1.26 -3.56 115.64 113.76 3hw1 s THR 367 Ca -0.06 -2.05 -0.11 0.00 -1.21 0.00 0.00 61.69 58.26 3hw1 s THR 367 Cb -0.09 -2.29 0.15 0.00 -1.51 0.00 0.00 72.50 68.76 3hw1 s THR 367 CO -0.02 -0.20 1.09 0.00 -2.21 0.00 0.00 174.62 173.28 3hw1 s ALA 368 N -1.91 1.33 0.05 11.08 0.00 -1.26 -4.94 121.76 126.10 3hw1 s ALA 368 Ca 0.24 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 3hw1 s ALA 368 Cb -0.07 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 19.84 3hw1 s ALA 368 CO 0.13 -2.56 0.44 0.00 0.00 0.00 0.00 175.76 173.77 3hw1 s ALA 369 N -2.83 -1.09 -0.29 0.00 0.00 -0.85 -4.96 121.76 111.74 3hw1 s ALA 369 Ca 0.64 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 3hw1 s ALA 369 Cb -0.19 0.36 0.10 0.00 0.00 0.00 0.00 23.12 23.39 3hw1 s ALA 369 CO 0.58 -0.47 0.13 0.08 0.00 0.00 0.00 175.76 176.07 3hw1 s VAL 370 N -2.48 0.10 0.21 0.00 1.01 -1.26 -1.63 120.40 116.34 3hw1 s VAL 370 Ca -0.05 -0.89 0.11 0.00 0.00 0.00 0.00 61.98 61.15 3hw1 s VAL 370 Cb -0.01 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3hw1 s VAL 370 CO -0.02 -0.73 -0.23 -1.61 0.00 0.00 0.00 175.10 172.51 3hw1 s GLU 371 N 2.00 1.55 0.00 2.72 2.02 -0.75 -4.82 118.70 121.41 3hw1 s GLU 371 Ca 0.09 -1.56 0.00 0.00 0.02 0.00 0.00 54.97 53.52 3hw1 s GLU 371 Cb -0.16 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.23 3hw1 s GLU 371 CO -0.34 0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.74 3hw1 n GLY 372 N 0.12 0.24 3.98 -1.39 0.00 -1.26 -0.51 105.19 106.37 3hw1 n GLY 372 Ca -0.11 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 3hw1 n GLY 372 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hw1 s PRO 373 N -2.00 2.59 -0.01 1.61 0.04 -1.26 -5.08 135.00 130.88 3hw1 s PRO 373 Ca 0.00 -0.84 0.04 0.00 0.04 0.00 0.00 61.00 60.24 3hw1 s PRO 373 Cb 0.00 -2.52 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 3hw1 s PRO 373 CO 0.00 -0.65 -0.13 -0.06 0.04 0.00 0.00 177.00 176.20 3hw1 s PHE 374 N -2.71 1.21 -0.20 0.56 0.40 0.61 -4.95 117.98 112.90 3hw1 s PHE 374 Ca 0.57 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 56.36 3hw1 s PHE 374 Cb -0.10 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.62 3hw1 s PHE 374 CO 0.38 -0.04 1.47 0.08 0.70 0.00 0.00 175.22 177.81 3hw1 s VAL 375 N -0.24 3.91 -0.13 -0.44 1.01 -1.26 -0.74 120.40 122.51 3hw1 s VAL 375 Ca 0.04 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.06 3hw1 s VAL 375 Cb -0.06 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.52 3hw1 s VAL 375 CO -0.00 -0.27 -0.02 -0.89 0.00 0.00 0.00 175.10 173.91 3hw1 s THR 376 N 4.48 0.74 0.44 3.92 2.01 -0.33 -4.92 115.64 121.98 3hw1 s THR 376 Ca 0.65 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 62.18 3hw1 s THR 376 Cb -0.23 -0.95 -0.08 0.00 0.01 0.00 0.00 72.50 71.24 3hw1 s THR 376 CO 0.25 0.15 0.89 -0.76 -0.69 0.00 0.00 174.62 174.46 3hw1 s LEU 377 N 1.80 3.82 -1.46 4.42 1.43 -1.26 -4.18 118.68 123.24 3hw1 s LEU 377 Ca 0.03 1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 54.47 3hw1 s LEU 377 Cb -0.14 -4.34 0.05 0.00 0.03 0.00 0.00 46.19 41.79 3hw1 s LEU 377 CO -0.07 -0.43 1.05 0.47 0.23 0.00 0.00 176.35 177.60 3hw1 n ASP 378 N -1.10 -5.52 0.03 2.29 8.00 -1.26 -4.89 116.55 114.09 3hw1 n ASP 378 Ca 0.05 -0.66 -0.00 0.00 0.71 0.00 0.00 54.79 54.89 3hw1 n ASP 378 Cb 0.54 -4.38 0.30 0.00 -0.02 0.00 0.00 41.12 37.56 3hw1 n ASP 378 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3hw1 h MET 379 N -2.31 0.46 0.00 -1.24 2.86 -2.00 -1.51 114.93 111.18 3hw1 h MET 379 Ca -0.57 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 3hw1 h MET 379 Cb 1.37 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3hw1 h MET 379 CO 0.62 0.54 0.00 0.39 1.06 0.00 0.00 176.91 179.52 3hw1 n GLU 380 N -4.25 0.83 0.15 1.72 1.02 -1.26 -0.93 120.64 117.91 3hw1 n GLU 380 Ca 0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 3hw1 n GLU 380 Cb 0.27 -1.12 0.24 0.00 -0.02 0.00 0.00 31.44 30.81 3hw1 n GLU 380 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hw1 h ASP 381 N 0.00 0.00 0.78 1.62 3.32 -1.66 -3.37 116.42 117.11 3hw1 h ASP 381 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3hw1 h ASP 381 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hw1 h ASP 381 CO 0.00 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3hw1 s GLY 383 N -2.90 2.48 -0.08 0.00 0.00 -1.26 -4.02 107.32 101.54 3hw1 s GLY 383 Ca 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.95 3hw1 s GLY 383 CO 0.44 0.38 0.00 -0.47 0.00 0.00 0.00 173.10 173.45 3hw1 s TYR 384 N -1.73 3.15 0.00 1.90 5.04 -1.25 -4.93 117.35 119.53 3hw1 s TYR 384 Ca 0.48 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.29 3hw1 s TYR 384 Cb -0.14 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.40 3hw1 s TYR 384 CO 0.19 0.47 0.39 0.09 -1.34 0.00 0.00 175.55 175.35