#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hw3 s PRO 27 N 0.00 3.42 0.34 0.54 0.04 -1.26 -4.95 135.00 133.13 1hw3 s PRO 27 Ca 0.00 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 1hw3 s PRO 27 Cb 0.00 -2.32 -0.12 0.00 0.04 0.00 0.00 34.50 32.10 1hw3 s PRO 27 CO 0.00 -0.89 1.40 1.58 0.04 0.00 0.00 177.00 179.12 1hw3 n HIS 28 N -0.79 2.58 -0.37 0.56 -0.00 -1.26 -4.90 115.22 111.04 1hw3 n HIS 28 Ca 0.09 0.48 -0.01 0.00 0.46 0.00 0.00 57.72 58.74 1hw3 n HIS 28 Cb 0.46 -2.48 0.13 0.00 -0.12 0.00 0.00 29.99 27.98 1hw3 n HIS 28 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1hw3 h GLY 29 N 3.04 1.43 1.33 1.57 0.00 -1.92 -2.52 103.07 106.00 1hw3 h GLY 29 Ca -0.48 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 46.38 1hw3 h GLY 29 CO 0.66 0.46 0.30 -2.09 0.00 0.00 0.00 176.54 175.86 1hw3 h GLU 30 N 1.29 0.00 0.00 4.80 4.81 -1.95 -1.08 114.58 122.44 1hw3 h GLU 30 Ca 0.38 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1hw3 h GLU 30 Cb -0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1hw3 h GLU 30 CO -0.11 0.00 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.10 1hw3 h LEU 31 N 0.00 0.00 -0.14 1.64 3.38 -1.82 -1.51 115.31 116.86 1hw3 h LEU 31 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1hw3 h LEU 31 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1hw3 h LEU 31 CO -0.00 0.01 -0.10 1.56 0.09 0.00 0.00 178.44 179.99 1hw3 h GLN 32 N 0.00 0.32 0.28 1.13 4.20 -1.41 0.68 115.11 120.31 1hw3 h GLN 32 Ca -0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1hw3 h GLN 32 Cb 0.02 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1hw3 h GLN 32 CO 0.00 0.68 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.76 1hw3 h TYR 33 N -0.04 -0.42 -0.97 2.96 5.03 -1.47 0.86 116.97 122.92 1hw3 h TYR 33 Ca 0.03 -0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.38 1hw3 h TYR 33 Cb 0.61 0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.97 1hw3 h TYR 33 CO 0.08 -0.26 0.63 -0.07 -1.32 0.00 0.00 178.16 177.23 1hw3 h LEU 34 N -0.42 1.03 -0.83 2.82 3.38 -1.40 0.12 115.31 120.01 1hw3 h LEU 34 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1hw3 h LEU 34 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1hw3 h LEU 34 CO 0.04 0.68 0.06 1.23 0.09 0.00 0.00 178.44 180.53 1hw3 h GLY 35 N 1.18 1.01 1.16 0.83 0.00 -0.42 -1.08 103.07 105.74 1hw3 h GLY 35 Ca 0.41 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1hw3 h GLY 35 CO -0.15 0.61 -0.23 1.46 0.00 0.00 0.00 176.54 178.24 1hw3 h GLN 36 N 0.88 0.96 -0.04 4.80 4.20 0.28 -0.77 115.11 125.42 1hw3 h GLN 36 Ca 0.17 -0.41 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1hw3 h GLN 36 Cb 0.43 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1hw3 h GLN 36 CO 0.01 1.08 0.02 0.82 -0.67 0.00 0.00 178.83 180.10 1hw3 h ILE 37 N 0.83 1.04 -0.54 2.54 1.08 -0.73 -1.47 117.51 120.25 1hw3 h ILE 37 Ca 0.11 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1hw3 h ILE 37 Cb 0.80 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 1hw3 h ILE 37 CO 0.07 0.03 0.26 -0.61 -0.69 0.00 0.00 178.15 177.21 1hw3 h GLN 38 N 0.01 0.49 -0.94 2.37 4.15 -1.04 -1.45 115.11 118.69 1hw3 h GLN 38 Ca 0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1hw3 h GLN 38 Cb 0.03 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.57 1hw3 h GLN 38 CO -0.00 0.32 0.59 1.25 -1.93 0.00 0.00 178.83 179.06 1hw3 h HIS 39 N 0.50 1.22 -0.30 3.99 2.76 -0.86 -0.97 115.15 121.49 1hw3 h HIS 39 Ca 0.24 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1hw3 h HIS 39 Cb 0.18 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 1hw3 h HIS 39 CO -0.11 0.79 -0.14 0.82 -1.30 0.00 0.00 177.93 177.99 1hw3 h ILE 40 N 1.29 1.29 -0.88 6.26 2.04 -0.77 -3.04 117.51 123.70 1hw3 h ILE 40 Ca 0.34 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1hw3 h ILE 40 Cb -0.10 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1hw3 h ILE 40 CO -0.07 0.40 0.58 -0.07 0.00 0.00 0.00 178.15 178.98 1hw3 h LEU 41 N 0.38 0.99 -0.31 1.44 3.38 -1.00 0.89 115.31 121.08 1hw3 h LEU 41 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1hw3 h LEU 41 Cb 0.66 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1hw3 h LEU 41 CO 0.04 0.71 0.00 0.54 0.09 0.00 0.00 178.44 179.82 1hw3 n ARG 42 N -4.49 1.20 -1.47 1.13 1.74 -0.39 -5.06 116.66 109.32 1hw3 n ARG 42 Ca 0.10 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.87 1hw3 n ARG 42 Cb 0.03 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1hw3 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hw3 n GLY 44 N 0.94 -3.09 3.75 -0.13 0.00 0.31 -5.08 105.19 101.88 1hw3 n GLY 44 Ca 0.17 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1hw3 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hw3 s VAL 45 N -4.92 4.56 0.13 1.61 1.01 0.17 -4.63 120.40 118.33 1hw3 s VAL 45 Ca 0.00 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 1hw3 s VAL 45 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 1hw3 s VAL 45 CO 0.00 0.41 1.51 -0.13 0.00 0.00 0.00 175.10 176.89 1hw3 s ARG 46 N -1.54 4.25 -0.21 2.72 1.81 -1.26 0.30 118.95 125.03 1hw3 s ARG 46 Ca 0.20 2.24 -0.15 0.00 -1.72 0.00 0.00 55.73 56.31 1hw3 s ARG 46 Cb -0.12 -3.26 0.06 0.00 -0.45 0.00 0.00 34.95 31.18 1hw3 s ARG 46 CO 0.11 -0.57 0.52 0.21 -0.68 0.00 0.00 175.30 174.90 1hw3 s LYS 47 N 1.39 0.56 0.27 3.54 2.20 -0.54 -4.91 119.74 122.25 1hw3 s LYS 47 Ca 0.68 0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 57.02 1hw3 s LYS 47 Cb -0.40 0.16 -0.08 0.00 -1.51 0.00 0.00 37.83 36.00 1hw3 s LYS 47 CO 0.31 -0.12 0.63 -0.51 -0.36 0.00 0.00 175.35 175.31 1hw3 s ASP 48 N 0.92 6.70 0.44 1.43 -0.00 -1.26 -1.09 116.67 123.80 1hw3 s ASP 48 Ca -0.05 1.09 0.00 0.00 -0.00 0.00 0.00 52.55 53.59 1hw3 s ASP 48 Cb -0.05 -2.30 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 1hw3 s ASP 48 CO -0.08 -0.13 0.00 -0.90 -0.00 0.00 0.00 175.17 174.07 1hw3 n ASP 49 N -0.20 0.00 0.18 0.27 5.68 0.63 -4.88 116.55 118.23 1hw3 n ASP 49 Ca 0.02 -0.84 0.16 0.00 -0.50 0.00 0.00 54.79 53.63 1hw3 n ASP 49 Cb 0.53 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.28 1hw3 n ASP 49 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1hw3 h ARG 50 N 0.00 0.00 -0.63 0.11 2.43 -1.99 -1.67 114.38 112.63 1hw3 h ARG 50 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1hw3 h ARG 50 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1hw3 h ARG 50 CO 0.00 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.71 1hw3 n THR 51 N -4.03 1.57 -0.98 0.20 -2.24 -1.26 -4.92 114.28 102.62 1hw3 n THR 51 Ca 0.02 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1hw3 n THR 51 Cb 0.33 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1hw3 n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hw3 n GLY 52 N 1.14 0.58 3.75 3.38 0.00 -0.63 -5.00 105.19 108.40 1hw3 n GLY 52 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1hw3 n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hw3 s THR 53 N -2.42 4.11 0.49 2.61 2.01 -1.26 -4.73 115.64 116.44 1hw3 s THR 53 Ca 0.00 2.02 -0.13 0.00 0.31 0.00 0.00 61.69 63.89 1hw3 s THR 53 Cb 0.00 -4.28 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 1hw3 s THR 53 CO 0.00 0.44 0.90 -0.83 -0.69 0.00 0.00 174.62 174.44 1hw3 s GLY 54 N -0.85 1.93 0.20 4.40 0.00 -1.26 -0.26 107.32 111.47 1hw3 s GLY 54 Ca 0.43 -0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.99 1hw3 s GLY 54 CO 0.32 0.20 0.41 -0.51 0.00 0.00 0.00 173.10 173.52 1hw3 s THR 55 N -2.62 0.03 -0.21 0.90 -4.23 -0.25 -3.02 115.64 106.24 1hw3 s THR 55 Ca 0.55 -1.28 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 1hw3 s THR 55 Cb -0.10 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.76 1hw3 s THR 55 CO 0.35 -0.13 0.03 -0.76 -0.54 0.00 0.00 174.62 173.57 1hw3 s LEU 56 N -2.97 3.41 0.04 4.79 1.43 0.12 -1.46 118.68 124.03 1hw3 s LEU 56 Ca 0.18 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1hw3 s LEU 56 Cb 0.01 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1hw3 s LEU 56 CO 0.03 0.06 -0.16 -0.55 0.23 0.00 0.00 176.35 175.96 1hw3 s SER 57 N 1.05 1.88 -0.04 2.29 0.15 0.15 -1.05 113.70 118.12 1hw3 s SER 57 Ca 0.03 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.22 1hw3 s SER 57 Cb -0.14 -0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1hw3 s SER 57 CO 0.02 0.07 -0.03 -0.69 1.20 0.00 0.00 173.24 173.81 1hw3 s VAL 58 N -0.82 0.42 -0.24 4.45 1.01 -0.33 -0.66 120.40 124.23 1hw3 s VAL 58 Ca 0.03 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.82 1hw3 s VAL 58 Cb -0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1hw3 s VAL 58 CO 0.01 0.20 0.34 0.12 0.00 0.00 0.00 175.10 175.78 1hw3 s PHE 59 N 1.00 3.31 0.00 5.22 5.99 -1.26 -0.98 117.98 131.26 1hw3 s PHE 59 Ca -0.10 0.45 0.00 0.00 0.00 0.00 0.00 56.93 57.28 1hw3 s PHE 59 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 43.02 40.38 1hw3 s PHE 59 CO -0.01 -0.10 0.00 0.41 -0.00 0.00 0.00 175.22 175.53 1hw3 n GLY 60 N 4.34 -0.61 3.16 13.12 0.00 0.13 -4.99 105.19 120.33 1hw3 n GLY 60 Ca -0.10 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1hw3 n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1hw3 s MET 61 N -0.47 0.68 -0.16 1.61 1.75 -0.94 -4.98 119.30 116.79 1hw3 s MET 61 Ca 0.00 -0.76 -0.26 0.00 -1.25 0.00 0.00 55.69 53.42 1hw3 s MET 61 Cb 0.00 0.27 0.06 0.00 2.84 0.00 0.00 34.83 38.01 1hw3 s MET 61 CO 0.00 -0.19 0.66 -1.14 -0.65 0.00 0.00 175.02 173.70 1hw3 s GLN 62 N -2.87 0.88 0.03 4.11 0.74 -1.26 -0.99 119.66 120.30 1hw3 s GLN 62 Ca -0.03 0.61 -0.06 0.00 0.05 0.00 0.00 55.36 55.94 1hw3 s GLN 62 Cb 0.00 0.42 -0.01 0.00 1.10 0.00 0.00 33.01 34.53 1hw3 s GLN 62 CO -0.06 -0.19 0.10 0.00 -0.55 0.00 0.00 175.29 174.60 1hw3 s ALA 63 N -0.33 -0.13 -0.11 1.58 0.00 -0.41 -5.00 121.76 117.36 1hw3 s ALA 63 Ca -0.05 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1hw3 s ALA 63 Cb -0.03 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1hw3 s ALA 63 CO 0.05 -0.29 -0.13 0.50 0.00 0.00 0.00 175.76 175.88 1hw3 s ARG 64 N -2.29 2.05 -0.18 0.00 3.52 -1.26 -1.39 118.95 119.40 1hw3 s ARG 64 Ca -0.08 -0.49 -0.00 0.00 -0.13 0.00 0.00 55.73 55.03 1hw3 s ARG 64 Cb -0.03 -1.82 0.01 0.00 -1.56 0.00 0.00 34.95 31.54 1hw3 s ARG 64 CO -0.03 -0.13 -0.15 0.71 -0.81 0.00 0.00 175.30 174.89 1hw3 s TYR 65 N 1.19 2.82 0.46 5.12 2.02 -0.09 -4.96 117.35 123.92 1hw3 s TYR 65 Ca -0.03 -1.30 -0.23 0.00 -0.37 0.00 0.00 57.07 55.14 1hw3 s TYR 65 Cb -0.14 -1.96 -0.07 0.00 -0.40 0.00 0.00 41.96 39.39 1hw3 s TYR 65 CO -0.04 -0.65 1.21 0.45 -1.57 0.00 0.00 175.55 174.95 1hw3 s SER 66 N 1.21 6.06 -0.01 2.29 0.15 -1.26 -0.98 113.70 121.15 1hw3 s SER 66 Ca 0.02 2.43 0.02 0.00 0.70 0.00 0.00 55.95 59.12 1hw3 s SER 66 Cb -0.14 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1hw3 s SER 66 CO -0.07 -1.00 1.01 0.18 1.20 0.00 0.00 173.24 174.56 1hw3 n LEU 67 N -0.46 2.03 -4.53 3.45 4.77 0.30 -4.53 117.00 118.01 1hw3 n LEU 67 Ca 0.07 -2.09 -0.43 0.00 -0.03 0.00 0.00 56.01 53.53 1hw3 n LEU 67 Cb 0.47 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 1hw3 n LEU 67 CO 0.50 0.52 0.81 -0.13 -1.33 0.00 0.00 177.39 177.75 1hw3 s ARG 68 N -1.16 3.36 -1.54 3.23 0.52 -1.24 -3.95 118.95 118.18 1hw3 s ARG 68 Ca 0.03 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 1hw3 s ARG 68 Cb 0.02 -4.04 0.00 0.00 0.52 0.00 0.00 34.95 31.45 1hw3 s ARG 68 CO 0.00 -1.52 0.00 -0.25 0.02 0.00 0.00 175.30 173.56 1hw3 n ASP 69 N 7.62 -4.78 -3.53 0.23 9.92 -1.26 -4.96 116.55 119.78 1hw3 n ASP 69 Ca 0.03 0.26 -0.11 0.00 -0.53 0.00 0.00 54.79 54.44 1hw3 n ASP 69 Cb 0.48 -3.72 -0.04 0.00 -0.64 0.00 0.00 41.12 37.20 1hw3 n ASP 69 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1hw3 s GLU 70 N -3.73 0.79 -0.12 -1.24 -1.05 -1.25 -4.87 118.70 107.22 1hw3 s GLU 70 Ca 0.00 -0.01 0.03 0.00 -0.15 0.00 0.00 54.97 54.84 1hw3 s GLU 70 Cb 0.00 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1hw3 s GLU 70 CO 0.00 -0.29 -0.21 0.12 0.95 0.00 0.00 175.26 175.83 1hw3 s PHE 71 N -1.90 2.48 -0.86 4.83 2.19 0.04 -4.28 117.98 120.47 1hw3 s PHE 71 Ca -0.01 -1.18 -0.06 0.00 0.33 0.00 0.00 56.93 56.01 1hw3 s PHE 71 Cb -0.01 -1.70 -0.06 0.00 -1.31 0.00 0.00 43.02 39.95 1hw3 s PHE 71 CO -0.01 -0.54 2.17 -0.35 1.83 0.00 0.00 175.22 178.32 1hw3 n PRO 72 N 3.97 2.07 -3.14 10.12 -0.04 -1.26 -3.75 135.00 142.97 1hw3 n PRO 72 Ca -0.20 -1.41 -0.44 0.00 -0.04 0.00 0.00 63.50 61.42 1hw3 n PRO 72 Cb 0.52 -2.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 1hw3 n PRO 72 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1hw3 s LEU 73 N 0.09 4.90 0.34 1.53 2.96 -1.26 -4.36 118.68 122.88 1hw3 s LEU 73 Ca 0.41 -0.86 -0.25 0.00 -0.22 0.00 0.00 54.13 53.20 1hw3 s LEU 73 Cb 0.11 -2.48 -0.14 0.00 0.50 0.00 0.00 46.19 44.19 1hw3 s LEU 73 CO -0.03 -0.91 0.72 0.18 -1.32 0.00 0.00 176.35 174.99 1hw3 n LEU 74 N 6.25 0.51 -0.00 -0.68 4.77 -1.26 -4.73 117.00 121.86 1hw3 n LEU 74 Ca -0.06 1.04 0.04 0.00 -0.03 0.00 0.00 56.01 57.01 1hw3 n LEU 74 Cb 0.46 -1.16 -0.06 0.00 -2.33 0.00 0.00 43.42 40.33 1hw3 n LEU 74 CO 0.55 -2.34 -0.17 0.35 -1.33 0.00 0.00 177.39 174.45 1hw3 n THR 75 N -0.34 0.00 1.48 -5.08 -2.24 -1.26 -4.33 114.28 102.51 1hw3 n THR 75 Ca 0.12 -0.27 0.03 0.00 -2.27 0.00 0.00 64.05 61.66 1hw3 n THR 75 Cb 0.34 0.82 0.19 0.00 -2.10 0.00 0.00 70.33 69.59 1hw3 n THR 75 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hw3 n THR 76 N -1.36 0.00 -3.62 4.28 -2.24 -1.26 -0.38 114.28 109.70 1hw3 n THR 76 Ca 0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 1hw3 n THR 76 Cb 0.16 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 1hw3 n THR 76 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1hw3 s LYS 77 N -2.00 0.35 -0.12 -0.78 -2.85 -1.26 -4.73 119.74 108.34 1hw3 s LYS 77 Ca 0.10 0.24 -0.29 0.00 -1.00 0.00 0.00 55.97 55.02 1hw3 s LYS 77 Cb 0.04 0.17 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1hw3 s LYS 77 CO 0.07 -0.08 1.42 0.50 0.10 0.00 0.00 175.35 177.37 1hw3 s ARG 78 N -0.41 4.20 0.15 1.78 3.52 -0.95 -4.66 118.95 122.58 1hw3 s ARG 78 Ca 0.04 1.86 -0.19 0.00 -0.13 0.00 0.00 55.73 57.31 1hw3 s ARG 78 Cb -0.03 -3.86 -0.07 0.00 -1.56 0.00 0.00 34.95 29.43 1hw3 s ARG 78 CO -0.07 -0.77 0.63 0.08 -0.81 0.00 0.00 175.30 174.37 1hw3 s VAL 79 N 3.74 4.68 -1.04 7.11 1.01 -1.26 -4.70 120.40 129.93 1hw3 s VAL 79 Ca 0.62 1.17 -0.19 0.00 0.00 0.00 0.00 61.98 63.59 1hw3 s VAL 79 Cb -0.26 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.18 1hw3 s VAL 79 CO 0.21 0.35 2.05 0.33 0.00 0.00 0.00 175.10 178.03 1hw3 n PHE 80 N 1.11 2.53 -0.34 5.22 7.35 -1.26 -4.74 117.46 127.33 1hw3 n PHE 80 Ca -0.06 -2.27 0.11 0.00 -0.76 0.00 0.00 57.45 54.47 1hw3 n PHE 80 Cb 0.51 -2.04 0.30 0.00 0.35 0.00 0.00 39.48 38.59 1hw3 n PHE 80 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 1hw3 h TRP 81 N 7.13 0.98 -0.52 -5.13 2.91 -2.00 -1.10 115.95 118.22 1hw3 h TRP 81 Ca 0.48 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.59 1hw3 h TRP 81 Cb 0.65 -0.29 -0.05 0.00 -0.51 0.00 0.00 29.16 28.97 1hw3 h TRP 81 CO 1.33 0.21 0.25 -0.22 -1.03 0.00 0.00 178.44 178.98 1hw3 h LYS 82 N 0.71 0.47 -0.30 2.65 1.63 -2.00 -0.92 116.57 118.82 1hw3 h LYS 82 Ca 0.55 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 60.23 1hw3 h LYS 82 Cb 0.84 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.35 1hw3 h LYS 82 CO -0.39 0.31 -0.19 0.78 -3.45 0.00 0.00 179.45 176.52 1hw3 h GLY 83 N 0.49 0.60 0.87 5.01 0.00 -1.61 -1.41 103.07 107.02 1hw3 h GLY 83 Ca 0.23 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1hw3 h GLY 83 CO -0.17 0.42 -0.40 -2.08 0.00 0.00 0.00 176.54 174.31 1hw3 h VAL 84 N 0.50 0.05 -0.39 4.60 2.07 -0.72 -0.50 116.25 121.86 1hw3 h VAL 84 Ca 0.08 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1hw3 h VAL 84 Cb 0.61 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1hw3 h VAL 84 CO 0.04 0.00 0.15 0.25 0.02 0.00 0.00 177.57 178.04 1hw3 h LEU 85 N -1.26 0.18 -0.74 2.57 5.85 -1.23 -1.26 115.31 119.42 1hw3 h LEU 85 Ca -0.11 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1hw3 h LEU 85 Cb 0.86 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1hw3 h LEU 85 CO 0.19 0.14 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.08 1hw3 h GLU 86 N 0.32 0.66 -0.41 1.25 4.57 -1.29 -2.29 114.58 117.40 1hw3 h GLU 86 Ca 0.17 -0.28 -0.14 0.00 -1.18 0.00 0.00 59.36 57.94 1hw3 h GLU 86 Cb 0.14 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1hw3 h GLU 86 CO -0.16 0.86 -0.27 1.49 -1.18 0.00 0.00 179.01 179.75 1hw3 h GLU 87 N 0.58 0.91 -0.41 1.92 4.81 -0.80 -2.18 114.58 119.39 1hw3 h GLU 87 Ca 0.08 -0.43 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1hw3 h GLU 87 Cb 0.75 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1hw3 h GLU 87 CO 0.06 1.08 0.15 1.25 -0.73 0.00 0.00 179.01 180.82 1hw3 h LEU 88 N 0.73 0.58 -1.58 1.64 5.85 -1.13 0.10 115.31 121.50 1hw3 h LEU 88 Ca 0.08 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1hw3 h LEU 88 Cb 0.85 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1hw3 h LEU 88 CO 0.07 0.61 0.17 -0.07 -0.34 0.00 0.00 178.44 178.88 1hw3 h LEU 89 N 0.52 0.40 -0.50 2.25 3.38 -1.39 0.32 115.31 120.29 1hw3 h LEU 89 Ca 0.14 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1hw3 h LEU 89 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1hw3 h LEU 89 CO -0.01 0.33 -0.27 -0.25 0.09 0.00 0.00 178.44 178.33 1hw3 h TRP 90 N 0.46 1.09 -0.10 1.13 7.01 -0.71 -2.01 115.95 122.82 1hw3 h TRP 90 Ca 0.12 -0.28 -0.02 0.00 2.11 0.00 0.00 58.89 60.81 1hw3 h TRP 90 Cb 0.03 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 1hw3 h TRP 90 CO 0.00 1.10 -0.02 0.74 -2.79 0.00 0.00 178.44 177.47 1hw3 h PHE 91 N 0.80 0.22 -0.33 2.65 0.04 0.11 -2.94 116.94 117.48 1hw3 h PHE 91 Ca 0.09 -0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.90 1hw3 h PHE 91 Cb 0.85 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1hw3 h PHE 91 CO 0.05 0.49 0.23 0.82 -0.60 0.00 0.00 178.31 179.31 1hw3 h ILE 92 N -0.11 0.88 0.00 -0.55 2.04 -0.92 0.08 117.51 118.93 1hw3 h ILE 92 Ca 0.03 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1hw3 h ILE 92 Cb 0.41 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1hw3 h ILE 92 CO 0.01 0.02 -0.19 0.11 0.00 0.00 0.00 178.15 178.10 1hw3 h LYS 93 N 0.08 0.00 0.00 2.37 1.57 -1.18 -3.46 116.57 115.95 1hw3 h LYS 93 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1hw3 h LYS 93 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1hw3 h LYS 93 CO -0.01 0.19 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 1hw3 n GLY 94 N -0.20 0.71 3.76 3.86 0.00 0.02 -5.02 105.19 108.32 1hw3 n GLY 94 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1hw3 n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hw3 s SER 95 N -2.31 5.80 -0.09 1.61 0.15 -1.22 -3.65 113.70 113.99 1hw3 s SER 95 Ca 0.00 2.66 0.13 0.00 0.70 0.00 0.00 55.95 59.44 1hw3 s SER 95 Cb 0.00 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.93 1hw3 s SER 95 CO 0.00 -1.20 1.12 0.35 1.20 0.00 0.00 173.24 174.71 1hw3 n THR 96 N -0.52 1.12 -3.84 6.45 -2.24 -1.26 -4.38 114.28 109.61 1hw3 n THR 96 Ca 0.07 -1.62 -0.36 0.00 -2.27 0.00 0.00 64.05 59.87 1hw3 n THR 96 Cb 0.45 0.16 -0.13 0.00 -2.10 0.00 0.00 70.33 68.71 1hw3 n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1hw3 s ASN 97 N -2.28 5.07 0.55 3.42 3.04 -1.26 -1.02 114.94 122.46 1hw3 s ASN 97 Ca 0.24 -1.33 0.24 0.00 0.04 0.00 0.00 52.86 52.06 1hw3 s ASN 97 Cb 0.24 -1.77 1.49 0.00 -1.54 0.00 0.00 41.25 39.66 1hw3 s ASN 97 CO -0.03 -0.32 2.09 0.00 -3.04 0.00 0.00 177.10 175.80 1hw3 h ALA 98 N 8.07 2.04 -0.35 1.71 0.00 0.27 -1.93 119.26 129.07 1hw3 h ALA 98 Ca -0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1hw3 h ALA 98 Cb 1.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1hw3 h ALA 98 CO 0.58 -0.30 0.03 0.87 0.00 0.00 0.00 179.25 180.42 1hw3 h LYS 99 N 0.00 0.53 0.00 0.00 1.57 -1.94 -1.97 116.57 114.76 1hw3 h LYS 99 Ca 0.11 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1hw3 h LYS 99 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1hw3 h LYS 99 CO -0.00 0.53 -0.23 0.93 -0.57 0.00 0.00 179.45 180.11 1hw3 h GLU 100 N 0.51 0.00 0.04 3.15 5.08 -1.73 0.04 114.58 121.67 1hw3 h GLU 100 Ca 0.11 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1hw3 h GLU 100 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1hw3 h GLU 100 CO 0.01 0.23 -0.76 1.25 -1.00 0.00 0.00 179.01 178.74 1hw3 h LEU 101 N 0.00 0.12 -1.55 1.33 5.85 -1.55 -3.35 115.31 116.16 1hw3 h LEU 101 Ca -0.00 -0.81 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 1hw3 h LEU 101 Cb 0.46 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1hw3 h LEU 101 CO 0.03 1.32 -0.15 0.77 -0.34 0.00 0.00 178.44 180.07 1hw3 h SER 102 N -0.79 0.09 -0.04 1.25 4.64 -1.33 -0.59 113.55 116.77 1hw3 h SER 102 Ca -0.18 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1hw3 h SER 102 Cb 1.32 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1hw3 h SER 102 CO -0.04 0.26 0.08 0.77 -0.87 0.00 0.00 176.83 177.03 1hw3 h SER 103 N 0.10 0.00 -0.03 4.97 4.64 -1.11 0.82 113.55 122.94 1hw3 h SER 103 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1hw3 h SER 103 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1hw3 h SER 103 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1hw3 n LYS 104 N -3.46 1.36 -2.77 4.77 4.76 -0.23 -4.93 118.16 117.66 1hw3 n LYS 104 Ca -0.02 -0.52 -0.09 0.00 -2.87 0.00 0.00 58.31 54.81 1hw3 n LYS 104 Cb 0.16 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 31.93 1hw3 n LYS 104 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hw3 n GLY 105 N 1.07 0.20 0.00 0.72 0.00 0.28 -5.10 105.19 102.36 1hw3 n GLY 105 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1hw3 n GLY 105 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hw3 n VAL 106 N -2.88 0.00 0.00 1.61 0.24 -1.25 -5.00 118.33 111.05 1hw3 n VAL 106 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1hw3 n VAL 106 Cb 0.55 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1hw3 n VAL 106 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hw3 n GLY 129 N 0.27 0.00 3.63 7.63 0.00 -1.26 -4.41 105.19 111.06 1hw3 n GLY 129 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1hw3 n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hw3 s ASP 130 N 0.00 6.50 0.00 1.61 -1.08 -1.26 0.99 116.67 123.43 1hw3 s ASP 130 Ca 0.00 1.55 0.25 0.00 -0.52 0.00 0.00 52.55 53.83 1hw3 s ASP 130 Cb 0.00 -2.53 0.51 0.00 -1.46 0.00 0.00 42.92 39.44 1hw3 s ASP 130 CO 0.00 -1.17 1.42 0.18 0.52 0.00 0.00 175.17 176.12 1hw3 n LEU 131 N 8.07 1.70 0.00 -1.34 4.77 -0.19 -4.93 117.00 125.08 1hw3 n LEU 131 Ca 0.17 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1hw3 n LEU 131 Cb 0.45 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1hw3 n LEU 131 CO 0.64 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1hw3 n GLY 132 N 1.33 -1.77 3.06 -0.72 0.00 -1.26 -4.55 105.19 101.28 1hw3 n GLY 132 Ca 0.13 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1hw3 n GLY 132 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hw3 n PRO 133 N 0.00 2.11 -2.22 1.61 -0.04 -1.26 -4.79 135.00 130.42 1hw3 n PRO 133 Ca 0.00 -2.28 -0.27 0.00 -0.04 0.00 0.00 63.50 60.91 1hw3 n PRO 133 Cb 0.00 -3.17 0.13 0.00 -0.04 0.00 0.00 33.50 30.41 1hw3 n PRO 133 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1hw3 s VAL 134 N 4.92 2.12 0.25 0.52 -7.23 -1.26 -4.52 120.40 115.19 1hw3 s VAL 134 Ca 0.55 -0.27 -0.06 0.00 -1.81 0.00 0.00 61.98 60.38 1hw3 s VAL 134 Cb 0.12 -2.85 0.40 0.00 0.56 0.00 0.00 36.38 34.61 1hw3 s VAL 134 CO 0.05 0.00 1.37 -1.22 -0.31 0.00 0.00 175.10 174.99 1hw3 n TYR 135 N -3.23 0.33 -0.14 2.82 0.53 -1.26 -0.92 117.16 115.30 1hw3 n TYR 135 Ca 0.13 1.07 -0.04 0.00 -1.02 0.00 0.00 57.90 58.04 1hw3 n TYR 135 Cb 0.60 -1.02 0.02 0.00 -1.03 0.00 0.00 39.34 37.91 1hw3 n TYR 135 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1hw3 h GLY 136 N 0.00 0.23 1.05 2.72 0.00 -1.78 0.19 103.07 105.48 1hw3 h GLY 136 Ca 0.43 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.91 1hw3 h GLY 136 CO -0.90 -0.19 0.24 -2.75 0.00 0.00 0.00 176.54 172.94 1hw3 h PHE 137 N -0.06 1.16 -0.19 5.60 3.04 -1.10 -2.67 116.94 122.72 1hw3 h PHE 137 Ca 0.22 -0.11 -0.12 0.00 3.98 0.00 0.00 57.97 61.94 1hw3 h PHE 137 Cb 0.39 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1hw3 h PHE 137 CO -0.42 0.91 -0.38 1.96 -2.02 0.00 0.00 178.31 178.35 1hw3 h GLN 138 N 1.07 0.43 -0.33 1.11 4.20 -0.78 0.25 115.11 121.05 1hw3 h GLN 138 Ca 0.24 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1hw3 h GLN 138 Cb 0.29 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1hw3 h GLN 138 CO -0.01 0.75 -0.36 -1.49 -0.67 0.00 0.00 178.83 177.05 1hw3 h TRP 139 N 0.36 0.91 0.00 2.96 4.06 -0.50 -2.90 115.95 120.84 1hw3 h TRP 139 Ca 0.04 -0.26 0.00 0.00 2.06 0.00 0.00 58.89 60.73 1hw3 h TRP 139 Cb 0.84 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1hw3 h TRP 139 CO 0.03 1.02 -1.58 0.54 -3.56 0.00 0.00 178.44 174.89 1hw3 n ARG 140 N -4.05 0.63 -2.64 0.49 5.12 -1.02 -1.66 116.66 113.53 1hw3 n ARG 140 Ca -0.02 -0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 55.71 1hw3 n ARG 140 Cb 0.52 -1.34 0.04 0.00 -1.16 0.00 0.00 32.46 30.52 1hw3 n ARG 140 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1hw3 n HIS 141 N -1.95 1.63 -1.66 -1.55 8.25 0.87 -3.63 115.22 117.18 1hw3 n HIS 141 Ca -0.02 -2.36 -0.50 0.00 -0.26 0.00 0.00 57.72 54.59 1hw3 n HIS 141 Cb 0.37 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.16 1hw3 n HIS 141 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1hw3 n PHE 142 N -0.50 2.08 0.00 4.41 7.35 0.21 -1.56 117.46 129.46 1hw3 n PHE 142 Ca 0.16 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 1hw3 n PHE 142 Cb 0.82 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 38.14 1hw3 n PHE 142 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1hw3 n GLY 143 N 3.59 2.90 3.78 7.13 0.00 -1.26 0.59 105.19 121.92 1hw3 n GLY 143 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1hw3 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hw3 s ALA 144 N -2.23 3.02 0.10 4.61 0.00 -0.60 -4.90 121.76 121.76 1hw3 s ALA 144 Ca 0.00 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1hw3 s ALA 144 Cb 0.00 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1hw3 s ALA 144 CO 0.00 -0.39 1.14 -2.00 0.00 0.00 0.00 175.76 174.51 1hw3 s GLU 145 N -2.65 4.50 0.20 0.00 2.12 -1.26 -5.00 118.70 116.60 1hw3 s GLU 145 Ca 0.61 1.72 -0.28 0.00 0.36 0.00 0.00 54.97 57.38 1hw3 s GLU 145 Cb -0.24 -3.33 -0.08 0.00 0.26 0.00 0.00 34.13 30.74 1hw3 s GLU 145 CO 0.29 -0.12 0.87 -0.47 -0.54 0.00 0.00 175.26 175.30 1hw3 s TYR 146 N 0.58 3.94 0.00 5.30 5.04 -1.26 -5.00 117.35 125.95 1hw3 s TYR 146 Ca 0.55 1.79 0.00 0.00 -2.44 0.00 0.00 57.07 56.96 1hw3 s TYR 146 Cb -0.29 -2.89 0.00 0.00 0.35 0.00 0.00 41.96 39.13 1hw3 s TYR 146 CO 0.31 0.47 0.00 0.54 -1.34 0.00 0.00 175.55 175.53 1hw3 n ARG 147 N 1.63 0.00 -4.11 4.97 1.74 -1.26 -5.09 116.66 114.54 1hw3 n ARG 147 Ca -0.03 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.95 1hw3 n ARG 147 Cb 0.48 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.82 1hw3 n ARG 147 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1hw3 s ASP 148 N 0.97 0.79 0.00 0.55 1.47 -1.26 -5.02 116.67 114.17 1hw3 s ASP 148 Ca 0.00 -0.90 0.00 0.00 1.18 0.00 0.00 52.55 52.83 1hw3 s ASP 148 Cb 0.00 0.12 0.00 0.00 -0.34 0.00 0.00 42.92 42.70 1hw3 s ASP 148 CO 0.00 -0.46 0.54 1.15 0.68 0.00 0.00 175.17 177.07 1hw3 n MET 149 N 0.37 0.00 -0.04 2.11 -0.00 -1.26 -1.19 117.12 117.11 1hw3 n MET 149 Ca -0.15 0.10 -0.01 0.00 -0.00 0.00 0.00 57.70 57.64 1hw3 n MET 149 Cb 0.59 -1.52 -0.10 0.00 -0.00 0.00 0.00 33.22 32.19 1hw3 n MET 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1hw3 n GLU 150 N -1.04 1.38 -1.38 3.17 -0.58 -1.26 -4.79 120.64 116.14 1hw3 n GLU 150 Ca 0.00 -0.05 -0.38 0.00 -0.42 0.00 0.00 57.16 56.31 1hw3 n GLU 150 Cb 0.02 -1.31 0.04 0.00 -0.57 0.00 0.00 31.44 29.63 1hw3 n GLU 150 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1hw3 n SER 151 N -2.25 -1.46 -4.54 1.62 7.64 -0.33 -4.94 113.62 109.35 1hw3 n SER 151 Ca -0.13 0.68 -0.41 0.00 1.01 0.00 0.00 58.87 60.02 1hw3 n SER 151 Cb 0.67 -1.14 -0.10 0.00 -1.01 0.00 0.00 64.21 62.64 1hw3 n SER 151 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1hw3 s ASP 152 N -1.23 6.14 -0.20 6.43 -1.08 -1.26 -4.94 116.67 120.53 1hw3 s ASP 152 Ca 0.66 -0.31 0.16 0.00 -0.52 0.00 0.00 52.55 52.54 1hw3 s ASP 152 Cb -0.42 -2.18 0.65 0.00 -1.46 0.00 0.00 42.92 39.52 1hw3 s ASP 152 CO 0.57 -0.32 1.56 -1.22 0.52 0.00 0.00 175.17 176.29 1hw3 n TYR 153 N 5.31 1.43 -1.60 -5.34 4.02 -1.26 -4.98 117.16 114.73 1hw3 n TYR 153 Ca -0.10 -0.80 -0.47 0.00 -0.01 0.00 0.00 57.90 56.52 1hw3 n TYR 153 Cb 0.49 -0.39 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 1hw3 n TYR 153 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1hw3 n SER 154 N 0.03 1.68 0.00 7.72 7.64 -1.26 -0.41 113.62 129.03 1hw3 n SER 154 Ca 0.24 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.27 1hw3 n SER 154 Cb 1.01 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1hw3 n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1hw3 n GLY 155 N 1.91 0.16 3.76 0.23 0.00 -1.26 -4.95 105.19 105.05 1hw3 n GLY 155 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1hw3 n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hw3 s GLN 156 N -0.88 4.11 0.06 1.61 -0.21 0.46 -4.96 119.66 119.84 1hw3 s GLN 156 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.54 1hw3 s GLN 156 Cb 0.00 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.65 1hw3 s GLN 156 CO 0.00 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.96 1hw3 n GLY 157 N 2.92 -1.57 3.73 3.09 0.00 -1.26 -4.52 105.19 107.59 1hw3 n GLY 157 Ca -0.13 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1hw3 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hw3 s VAL 158 N -1.49 5.26 -1.17 1.61 1.01 0.20 -4.71 120.40 121.10 1hw3 s VAL 158 Ca 0.00 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.51 1hw3 s VAL 158 Cb 0.00 -3.69 0.15 0.00 0.00 0.00 0.00 36.38 32.84 1hw3 s VAL 158 CO 0.00 0.38 1.43 -0.62 0.00 0.00 0.00 175.10 176.29 1hw3 s ASP 159 N 0.43 6.95 0.26 3.32 -1.08 -1.24 -0.62 116.67 124.69 1hw3 s ASP 159 Ca 0.20 -2.72 -0.02 0.00 -0.52 0.00 0.00 52.55 49.48 1hw3 s ASP 159 Cb -0.14 -2.43 0.53 0.00 -1.46 0.00 0.00 42.92 39.42 1hw3 s ASP 159 CO 0.06 -0.88 1.72 1.56 0.52 0.00 0.00 175.17 178.15 1hw3 h GLN 160 N 7.56 0.43 0.39 4.34 4.20 -1.58 -0.25 115.11 130.18 1hw3 h GLN 160 Ca 0.31 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 1hw3 h GLN 160 Cb 0.90 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1hw3 h GLN 160 CO 1.26 0.28 -0.19 1.25 -0.67 0.00 0.00 178.83 180.77 1hw3 h LEU 161 N 0.44 -0.44 -1.32 1.46 5.85 -1.79 -0.66 115.31 118.85 1hw3 h LEU 161 Ca 0.45 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.10 1hw3 h LEU 161 Cb 0.73 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1hw3 h LEU 161 CO -0.44 -0.29 -0.25 -0.61 -0.34 0.00 0.00 178.44 176.51 1hw3 h GLN 162 N -0.55 0.13 -0.71 1.25 5.75 -1.77 -2.23 115.11 116.99 1hw3 h GLN 162 Ca -0.05 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 1hw3 h GLN 162 Cb 0.41 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 1hw3 h GLN 162 CO 0.09 0.38 0.16 -0.09 -2.65 0.00 0.00 178.83 176.72 1hw3 h ARG 163 N 0.12 1.14 -0.19 1.69 2.43 -0.76 0.40 114.38 119.23 1hw3 h ARG 163 Ca 0.02 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1hw3 h ARG 163 Cb 0.52 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1hw3 h ARG 163 CO 0.04 1.01 0.11 0.28 -1.51 0.00 0.00 179.97 179.90 1hw3 h VAL 164 N 1.08 1.09 -0.66 0.20 2.07 -0.57 0.25 116.25 119.71 1hw3 h VAL 164 Ca 0.22 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1hw3 h VAL 164 Cb 0.39 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1hw3 h VAL 164 CO 0.00 0.08 0.29 0.40 0.02 0.00 0.00 177.57 178.37 1hw3 h ILE 165 N 0.22 1.23 -0.60 4.57 2.04 -1.02 -1.66 117.51 122.28 1hw3 h ILE 165 Ca 0.07 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.16 1hw3 h ILE 165 Cb 0.04 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1hw3 h ILE 165 CO -0.01 0.28 0.11 0.44 0.00 0.00 0.00 178.15 178.97 1hw3 h ASP 166 N 0.93 0.95 -0.56 1.72 3.45 0.18 -2.71 116.42 120.37 1hw3 h ASP 166 Ca 0.22 -0.25 -0.07 0.00 0.43 0.00 0.00 57.03 57.36 1hw3 h ASP 166 Cb 0.17 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1hw3 h ASP 166 CO -0.02 0.96 0.09 0.74 -1.57 0.00 0.00 179.24 179.44 1hw3 h THR 167 N 0.90 1.26 -0.80 0.35 2.02 -0.32 -1.88 112.91 114.43 1hw3 h THR 167 Ca 0.18 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.43 1hw3 h THR 167 Cb 0.41 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1hw3 h THR 167 CO 0.01 0.35 0.51 0.40 0.37 0.00 0.00 175.52 177.17 1hw3 h ILE 168 N 0.83 1.12 -0.00 3.11 2.04 -1.17 0.23 117.51 123.67 1hw3 h ILE 168 Ca 0.17 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1hw3 h ILE 168 Cb 0.41 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1hw3 h ILE 168 CO 0.01 0.18 -0.24 2.29 0.00 0.00 0.00 178.15 180.39 1hw3 n LYS 169 N -4.59 0.10 -0.00 2.37 2.85 -1.04 -3.02 118.16 114.83 1hw3 n LYS 169 Ca 0.10 -0.04 0.06 0.00 -1.05 0.00 0.00 58.31 57.38 1hw3 n LYS 169 Cb 0.09 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.89 1hw3 n LYS 169 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1hw3 n THR 170 N -1.41 0.00 -2.71 0.58 -2.24 -0.72 -4.86 114.28 102.91 1hw3 n THR 170 Ca 0.07 -0.26 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1hw3 n THR 170 Cb 0.33 0.49 0.05 0.00 -2.10 0.00 0.00 70.33 69.09 1hw3 n THR 170 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1hw3 n ASN 171 N -1.70 -2.32 0.33 3.42 4.05 0.77 -5.03 115.26 114.78 1hw3 n ASN 171 Ca -0.01 -2.38 0.17 0.00 0.45 0.00 0.00 54.58 52.82 1hw3 n ASN 171 Cb 0.27 1.31 0.91 0.00 1.23 0.00 0.00 39.78 43.50 1hw3 n ASN 171 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1hw3 h PRO 172 N 4.01 0.00 0.00 1.20 0.13 -1.64 -1.38 132.00 134.33 1hw3 h PRO 172 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1hw3 h PRO 172 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1hw3 h PRO 172 CO 0.04 0.00 -0.20 -0.25 -0.23 0.00 0.00 178.00 177.36 1hw3 n ASP 173 N -2.95 0.41 -4.60 1.44 10.43 -1.26 -3.91 116.55 116.11 1hw3 n ASP 173 Ca -0.02 0.31 -0.47 0.00 2.57 0.00 0.00 54.79 57.18 1hw3 n ASP 173 Cb 0.31 -0.32 -0.03 0.00 1.84 0.00 0.00 41.12 42.91 1hw3 n ASP 173 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1hw3 n ASP 174 N -1.79 1.62 -0.93 -2.24 4.64 -0.52 -4.89 116.55 112.45 1hw3 n ASP 174 Ca 0.06 1.15 0.11 0.00 -1.38 0.00 0.00 54.79 54.72 1hw3 n ASP 174 Cb 0.38 -1.27 0.27 0.00 -1.04 0.00 0.00 41.12 39.46 1hw3 n ASP 174 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1hw3 n ARG 175 N 1.67 2.20 -0.44 -0.67 1.74 -1.26 -4.29 116.66 115.61 1hw3 n ARG 175 Ca 0.14 -1.83 0.06 0.00 -0.77 0.00 0.00 57.85 55.45 1hw3 n ARG 175 Cb 0.27 -1.45 0.19 0.00 -1.02 0.00 0.00 32.46 30.45 1hw3 n ARG 175 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1hw3 n ARG 176 N 1.02 1.73 -2.32 5.56 1.74 -1.26 -4.88 116.66 118.24 1hw3 n ARG 176 Ca 0.18 -2.98 -0.43 0.00 -0.77 0.00 0.00 57.85 53.86 1hw3 n ARG 176 Cb 0.48 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1hw3 n ARG 176 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1hw3 n ILE 177 N -1.14 3.82 -5.17 0.55 5.41 -1.26 -4.90 119.36 116.67 1hw3 n ILE 177 Ca 0.21 -3.80 -0.29 0.00 1.00 0.00 0.00 62.75 59.87 1hw3 n ILE 177 Cb 0.77 -2.44 -0.16 0.00 -0.71 0.00 0.00 39.64 37.11 1hw3 n ILE 177 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1hw3 s ILE 178 N 3.69 1.87 0.41 1.39 1.01 -1.26 -0.52 121.20 127.79 1hw3 s ILE 178 Ca 0.51 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1hw3 s ILE 178 Cb 0.07 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1hw3 s ILE 178 CO 0.02 0.52 0.09 -0.32 0.00 0.00 0.00 174.94 175.25 1hw3 s MET 179 N -0.58 1.92 -0.30 2.79 1.75 -1.26 -4.94 119.30 118.68 1hw3 s MET 179 Ca 0.09 -2.16 -0.27 0.00 -1.25 0.00 0.00 55.69 52.10 1hw3 s MET 179 Cb -0.09 -0.85 0.20 0.00 2.84 0.00 0.00 34.83 36.93 1hw3 s MET 179 CO -0.01 -0.39 1.44 0.00 -0.65 0.00 0.00 175.02 175.41 1hw3 s ALA 181 N -3.16 -2.20 0.27 4.11 0.00 -0.33 -4.31 121.76 116.15 1hw3 s ALA 181 Ca 0.23 1.76 0.11 0.00 0.00 0.00 0.00 51.96 54.07 1hw3 s ALA 181 Cb 0.04 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.40 1hw3 s ALA 181 CO 0.13 -0.15 -0.12 -1.58 0.00 0.00 0.00 175.76 174.04 1hw3 s TRP 182 N -0.41 2.46 -0.31 0.00 0.51 -1.26 -0.69 118.94 119.23 1hw3 s TRP 182 Ca 0.08 -0.28 -0.25 0.00 -2.12 0.00 0.00 56.10 53.53 1hw3 s TRP 182 Cb -0.03 -1.08 0.00 0.00 -0.81 0.00 0.00 33.47 31.55 1hw3 s TRP 182 CO -0.13 0.68 0.85 1.21 -0.51 0.00 0.00 176.95 179.04 1hw3 s ASN 183 N -3.57 6.71 0.40 2.95 3.84 -1.26 -4.75 114.94 119.25 1hw3 s ASN 183 Ca 0.30 0.71 0.23 0.00 0.21 0.00 0.00 52.86 54.32 1hw3 s ASN 183 Cb -0.06 -2.43 1.29 0.00 -0.55 0.00 0.00 41.25 39.50 1hw3 s ASN 183 CO 0.17 -0.68 1.64 -0.65 -2.79 0.00 0.00 177.10 174.79 1hw3 h PRO 184 N 8.15 0.16 -0.72 0.43 0.11 -1.99 0.26 132.00 138.40 1hw3 h PRO 184 Ca -0.24 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.00 1hw3 h PRO 184 Cb 1.09 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1hw3 h PRO 184 CO 0.92 0.10 0.48 -0.09 -0.21 0.00 0.00 178.00 179.20 1hw3 h ARG 185 N 0.16 0.39 0.00 1.05 2.43 -1.94 -2.12 114.38 114.35 1hw3 h ARG 185 Ca 0.78 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 1hw3 h ARG 185 Cb 2.18 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 1hw3 h ARG 185 CO -0.52 0.26 0.00 -0.44 -1.51 0.00 0.00 179.97 177.76 1hw3 h ASP 186 N 0.40 0.00 0.03 -3.80 3.32 -0.87 -3.38 116.42 112.13 1hw3 h ASP 186 Ca 0.35 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.42 1hw3 h ASP 186 Cb 0.79 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1hw3 h ASP 186 CO -0.11 0.00 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.16 1hw3 h LEU 187 N 0.00 -0.54 -0.13 1.55 3.38 -1.45 -2.42 115.31 115.70 1hw3 h LEU 187 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1hw3 h LEU 187 Cb 0.96 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1hw3 h LEU 187 CO 0.00 -0.26 0.00 -0.81 0.09 0.00 0.00 178.44 177.46 1hw3 n PRO 188 N -5.32 0.14 -0.32 1.13 -0.04 -1.26 -3.92 135.00 125.41 1hw3 n PRO 188 Ca -0.05 0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 1hw3 n PRO 188 Cb 0.23 -1.69 0.08 0.00 -0.04 0.00 0.00 33.50 32.08 1hw3 n PRO 188 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1hw3 h LEU 189 N 0.00 1.09 -7.84 1.53 3.38 -1.60 -3.47 115.31 108.39 1hw3 h LEU 189 Ca 0.00 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1hw3 h LEU 189 Cb 0.54 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 1hw3 h LEU 189 CO 0.00 0.88 0.31 0.00 0.09 0.00 0.00 178.44 179.72 1hw3 s MET 190 N -5.83 1.57 0.15 1.13 0.23 -1.24 -5.13 119.30 110.19 1hw3 s MET 190 Ca -0.13 -0.86 -0.30 0.00 -1.03 0.00 0.00 55.69 53.37 1hw3 s MET 190 Cb 0.16 0.54 -0.07 0.00 -1.53 0.00 0.00 34.83 33.94 1hw3 s MET 190 CO 0.82 -0.72 1.10 0.00 -2.03 0.00 0.00 175.02 174.20 1hw3 s ALA 191 N -3.71 3.36 -1.01 3.16 0.00 -1.26 -3.97 121.76 118.34 1hw3 s ALA 191 Ca 0.11 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.73 1hw3 s ALA 191 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1hw3 s ALA 191 CO 0.05 -0.23 0.72 1.28 0.00 0.00 0.00 175.76 177.57 1hw3 n LEU 192 N 2.63 -2.94 -4.80 0.00 4.77 -1.26 -4.93 117.00 110.47 1hw3 n LEU 192 Ca 0.04 -0.89 -0.33 0.00 -0.03 0.00 0.00 56.01 54.80 1hw3 n LEU 192 Cb 0.46 -2.26 0.01 0.00 -2.33 0.00 0.00 43.42 39.30 1hw3 n LEU 192 CO 0.54 0.24 0.72 -2.16 -1.33 0.00 0.00 177.39 175.40 1hw3 s PRO 193 N -5.42 3.33 0.00 3.23 0.04 -1.25 -5.20 135.00 129.72 1hw3 s PRO 193 Ca 0.29 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1hw3 s PRO 193 Cb -0.11 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1hw3 s PRO 193 CO 0.87 -0.81 0.00 -0.35 0.04 0.00 0.00 177.00 176.74 1hw3 n PRO 194 N -1.88 3.03 0.00 0.56 -0.04 -1.26 -5.07 135.00 130.33 1hw3 n PRO 194 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1hw3 n PRO 194 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1hw3 n PRO 194 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1hw3 n HIS 196 N 0.00 0.00 -3.83 0.54 -0.00 0.13 -4.81 115.22 107.25 1hw3 n HIS 196 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 1hw3 n HIS 196 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 1hw3 n HIS 196 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hw3 s ALA 197 N -1.80 -0.36 0.00 1.57 0.00 -0.95 -0.56 121.76 119.66 1hw3 s ALA 197 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1hw3 s ALA 197 Cb 0.00 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1hw3 s ALA 197 CO 0.00 -0.47 0.00 1.47 0.00 0.00 0.00 175.76 176.76 1hw3 n LEU 198 N 0.20 0.00 -3.47 0.00 -0.00 -0.50 -1.19 117.00 112.03 1hw3 n LEU 198 Ca -0.16 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 55.86 1hw3 n LEU 198 Cb 0.61 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.98 1hw3 n LEU 198 CO 0.22 0.00 0.87 -1.58 -0.00 0.00 0.00 177.39 176.90 1hw3 s GLN 200 N 0.65 0.13 0.20 1.47 0.74 -0.38 -0.99 119.66 121.50 1hw3 s GLN 200 Ca 0.00 0.27 0.04 0.00 0.05 0.00 0.00 55.36 55.72 1hw3 s GLN 200 Cb 0.00 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.17 1hw3 s GLN 200 CO 0.00 -0.03 0.33 -0.06 -0.55 0.00 0.00 175.29 174.98 1hw3 s PHE 201 N 1.59 3.47 -0.15 1.67 0.08 0.32 -0.42 117.98 124.54 1hw3 s PHE 201 Ca -0.05 0.05 -0.12 0.00 0.12 0.00 0.00 56.93 56.93 1hw3 s PHE 201 Cb -0.03 -1.62 0.04 0.00 -0.57 0.00 0.00 43.02 40.84 1hw3 s PHE 201 CO -0.14 0.46 0.39 -0.47 -0.10 0.00 0.00 175.22 175.36 1hw3 s TYR 202 N -1.89 -0.46 -0.04 0.36 5.04 -0.29 -4.53 117.35 115.55 1hw3 s TYR 202 Ca 0.34 1.08 0.04 0.00 -2.44 0.00 0.00 57.07 56.09 1hw3 s TYR 202 Cb -0.10 0.16 -0.00 0.00 0.35 0.00 0.00 41.96 42.37 1hw3 s TYR 202 CO 0.29 -0.23 -0.15 0.08 -1.34 0.00 0.00 175.55 174.20 1hw3 s VAL 203 N 0.45 1.28 -0.28 3.14 1.01 -1.25 -0.11 120.40 124.64 1hw3 s VAL 203 Ca -0.02 -0.64 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 1hw3 s VAL 203 Cb -0.04 -1.10 0.11 0.00 0.00 0.00 0.00 36.38 35.35 1hw3 s VAL 203 CO -0.02 0.37 0.92 0.54 0.00 0.00 0.00 175.10 176.91 1hw3 s VAL 204 N 0.03 0.00 -1.45 2.92 0.11 -0.97 -4.70 120.40 116.34 1hw3 s VAL 204 Ca -0.03 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 1hw3 s VAL 204 Cb -0.10 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1hw3 s VAL 204 CO 0.02 0.00 1.07 0.59 -3.33 0.00 0.00 175.10 173.45 1hw3 n ASN 205 N 2.96 -5.59 -0.99 3.54 5.03 -1.26 -1.48 115.26 117.47 1hw3 n ASN 205 Ca -0.15 -0.66 -0.13 0.00 0.87 0.00 0.00 54.58 54.51 1hw3 n ASN 205 Cb 0.57 -4.43 -0.06 0.00 -1.02 0.00 0.00 39.78 34.85 1hw3 n ASN 205 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1hw3 n SER 206 N -2.91 -5.10 -4.34 6.41 7.64 -1.26 -4.98 113.62 109.08 1hw3 n SER 206 Ca 0.03 0.32 -0.32 0.00 1.01 0.00 0.00 58.87 59.90 1hw3 n SER 206 Cb 0.54 -3.74 -0.15 0.00 -1.01 0.00 0.00 64.21 59.86 1hw3 n SER 206 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1hw3 s GLU 207 N -3.00 3.06 -0.26 1.43 2.02 -0.55 -0.76 118.70 120.64 1hw3 s GLU 207 Ca 0.00 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 1hw3 s GLU 207 Cb 0.00 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.72 1hw3 s GLU 207 CO 0.00 0.30 0.19 -1.17 0.02 0.00 0.00 175.26 174.60 1hw3 s LEU 208 N 0.10 4.07 0.28 1.80 2.96 0.10 -2.29 118.68 125.71 1hw3 s LEU 208 Ca -0.08 0.08 0.10 0.00 -0.22 0.00 0.00 54.13 54.01 1hw3 s LEU 208 Cb -0.15 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1hw3 s LEU 208 CO 0.05 -0.01 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.59 1hw3 s SER 209 N 1.40 4.25 -0.04 3.68 0.01 0.85 0.14 113.70 123.99 1hw3 s SER 209 Ca 0.08 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.52 1hw3 s SER 209 Cb -0.15 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.45 1hw3 s SER 209 CO 0.08 -0.03 0.09 0.00 0.41 0.00 0.00 173.24 173.79 1hw3 s GLN 211 N 0.50 3.07 -0.27 0.00 0.74 0.44 -0.00 119.66 124.13 1hw3 s GLN 211 Ca -0.04 -0.80 -0.11 0.00 0.05 0.00 0.00 55.36 54.46 1hw3 s GLN 211 Cb -0.05 -2.60 -0.05 0.00 1.10 0.00 0.00 33.01 31.41 1hw3 s GLN 211 CO -0.02 -0.14 0.18 -1.17 -0.55 0.00 0.00 175.29 173.59 1hw3 s LEU 212 N 1.15 4.00 -0.22 3.68 2.96 0.11 -1.24 118.68 129.11 1hw3 s LEU 212 Ca 0.01 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 1hw3 s LEU 212 Cb -0.14 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1hw3 s LEU 212 CO -0.08 -0.03 -0.01 -0.47 -1.32 0.00 0.00 176.35 174.44 1hw3 s TYR 213 N 1.66 3.00 -0.09 5.38 6.14 -0.16 -0.58 117.35 132.70 1hw3 s TYR 213 Ca 0.07 -0.71 0.04 0.00 0.64 0.00 0.00 57.07 57.10 1hw3 s TYR 213 Cb -0.16 -2.13 -0.01 0.00 0.42 0.00 0.00 41.96 40.08 1hw3 s TYR 213 CO 0.10 -0.44 -0.21 -0.65 0.64 0.00 0.00 175.55 174.98 1hw3 s GLN 214 N 1.42 2.97 0.39 4.97 -0.21 -0.67 -1.41 119.66 127.13 1hw3 s GLN 214 Ca 0.05 -0.83 0.19 0.00 0.02 0.00 0.00 55.36 54.79 1hw3 s GLN 214 Cb -0.15 -2.35 1.12 0.00 1.00 0.00 0.00 33.01 32.64 1hw3 s GLN 214 CO -0.00 0.27 1.73 -0.09 -2.12 0.00 0.00 175.29 175.07 1hw3 h ARG 215 N 6.46 0.35 -3.13 2.91 2.43 -1.16 -1.65 114.38 120.59 1hw3 h ARG 215 Ca -0.25 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 1hw3 h ARG 215 Cb 1.21 -0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.54 1hw3 h ARG 215 CO 0.49 0.23 -0.03 -1.54 -1.51 0.00 0.00 179.97 177.61 1hw3 s SER 216 N -5.10 -0.32 -0.05 -3.80 1.04 -1.26 -2.03 113.70 102.18 1hw3 s SER 216 Ca -0.09 -0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.22 1hw3 s SER 216 Cb 0.27 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.90 1hw3 s SER 216 CO 0.80 -0.79 0.08 -0.83 0.98 0.00 0.00 173.24 173.49 1hw3 s GLY 217 N -2.42 0.12 -0.90 7.32 0.00 -0.06 -4.86 107.32 106.53 1hw3 s GLY 217 Ca -0.01 0.35 -0.25 0.00 0.00 0.00 0.00 44.72 44.81 1hw3 s GLY 217 CO -0.07 1.23 1.37 -0.35 0.00 0.00 0.00 173.10 175.28 1hw3 s ASP 218 N 1.80 6.35 0.28 1.64 3.68 -1.26 -1.58 116.67 127.58 1hw3 s ASP 218 Ca -0.01 -1.01 0.00 0.00 2.13 0.00 0.00 52.55 53.66 1hw3 s ASP 218 Cb -0.12 -2.57 0.52 0.00 -1.45 0.00 0.00 42.92 39.30 1hw3 s ASP 218 CO -0.04 -1.65 1.84 0.24 0.13 0.00 0.00 175.17 175.68 1hw3 h MET 219 N 9.90 0.96 -0.05 4.34 2.86 -1.38 -0.86 114.93 130.69 1hw3 h MET 219 Ca -0.01 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1hw3 h MET 219 Cb 1.03 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1hw3 h MET 219 CO 1.36 0.63 -0.21 0.78 1.06 0.00 0.00 176.91 180.54 1hw3 h GLY 220 N 0.99 0.26 0.00 8.32 0.00 -1.90 -3.38 103.07 107.35 1hw3 h GLY 220 Ca 0.48 -0.35 -0.45 0.00 0.00 0.00 0.00 47.33 47.01 1hw3 h GLY 220 CO -0.25 0.31 -2.46 1.04 0.00 0.00 0.00 176.54 175.18 1hw3 n LEU 221 N -4.54 2.05 0.06 3.11 4.77 -1.20 -4.79 117.00 116.46 1hw3 n LEU 221 Ca -0.08 0.30 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 1hw3 n LEU 221 Cb 0.44 -0.84 -0.12 0.00 -2.33 0.00 0.00 43.42 40.56 1hw3 n LEU 221 CO 0.39 0.59 0.03 1.23 -1.33 0.00 0.00 177.39 178.30 1hw3 h GLY 222 N -0.72 0.62 0.56 -0.72 0.00 -1.45 -3.38 103.07 97.99 1hw3 h GLY 222 Ca -0.67 -1.26 0.02 0.00 0.00 0.00 0.00 47.33 45.42 1hw3 h GLY 222 CO -0.38 1.11 -0.25 -2.08 0.00 0.00 0.00 176.54 174.94 1hw3 h VAL 223 N 0.13 0.45 -0.83 4.60 2.07 -1.49 0.26 116.25 121.44 1hw3 h VAL 223 Ca -0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.43 1hw3 h VAL 223 Cb 1.73 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1hw3 h VAL 223 CO 0.20 0.00 0.51 -0.65 0.02 0.00 0.00 177.57 177.65 1hw3 h PRO 224 N -0.45 0.91 -0.30 1.57 0.11 -1.79 0.14 132.00 132.19 1hw3 h PRO 224 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1hw3 h PRO 224 Cb 0.48 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1hw3 h PRO 224 CO -0.14 0.60 0.16 0.35 -0.21 0.00 0.00 178.00 178.76 1hw3 h PHE 225 N 0.94 0.42 -0.05 0.65 3.57 -1.68 -2.73 116.94 118.07 1hw3 h PHE 225 Ca 0.36 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 1hw3 h PHE 225 Cb 0.16 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1hw3 h PHE 225 CO -0.04 0.35 -0.54 -0.91 -2.23 0.00 0.00 178.31 174.94 1hw3 h ASN 226 N 0.37 0.14 -0.40 0.41 -0.26 -0.25 -0.17 115.58 115.42 1hw3 h ASN 226 Ca 0.11 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1hw3 h ASN 226 Cb 0.07 -0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1hw3 h ASN 226 CO -0.02 0.66 0.26 0.40 -1.06 0.00 0.00 177.43 177.67 1hw3 h ILE 227 N 0.10 1.11 -0.48 2.81 2.04 -0.63 -0.90 117.51 121.57 1hw3 h ILE 227 Ca -0.00 -0.22 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1hw3 h ILE 227 Cb 0.99 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1hw3 h ILE 227 CO 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 178.15 178.26 1hw3 h ALA 228 N 1.13 0.65 0.35 1.87 0.00 -1.23 -2.02 119.26 120.02 1hw3 h ALA 228 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1hw3 h ALA 228 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1hw3 h ALA 228 CO -0.03 0.53 -0.22 1.03 0.00 0.00 0.00 179.25 180.55 1hw3 h SER 229 N 0.75 -0.56 1.26 0.00 0.87 -0.62 -1.19 113.55 114.04 1hw3 h SER 229 Ca 0.13 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1hw3 h SER 229 Cb 0.62 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1hw3 h SER 229 CO 0.04 -0.35 -0.31 1.88 -0.53 0.00 0.00 176.83 177.55 1hw3 h TYR 230 N -0.56 0.00 -0.27 2.24 0.05 -1.24 -1.59 116.97 115.61 1hw3 h TYR 230 Ca -0.04 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.62 1hw3 h TYR 230 Cb 0.46 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1hw3 h TYR 230 CO -0.10 0.31 -0.36 0.00 -1.05 0.00 0.00 178.16 176.96 1hw3 h ALA 231 N 1.69 0.86 -0.33 3.88 0.00 -1.27 -1.44 119.26 122.65 1hw3 h ALA 231 Ca -0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1hw3 h ALA 231 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1hw3 h ALA 231 CO 0.04 0.64 -0.22 1.25 0.00 0.00 0.00 179.25 180.96 1hw3 h LEU 232 N 0.51 0.77 -0.92 0.00 5.85 -0.87 -1.87 115.31 118.78 1hw3 h LEU 232 Ca 0.05 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.35 1hw3 h LEU 232 Cb 0.87 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1hw3 h LEU 232 CO 0.07 1.04 0.61 0.25 -0.34 0.00 0.00 178.44 180.07 1hw3 h LEU 233 N 0.51 1.06 -0.70 2.25 5.85 -1.11 -0.07 115.31 123.10 1hw3 h LEU 233 Ca 0.07 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1hw3 h LEU 233 Cb 0.78 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1hw3 h LEU 233 CO 0.06 0.78 0.22 0.74 -0.34 0.00 0.00 178.44 179.90 1hw3 h THR 234 N 1.25 1.26 -0.67 1.05 2.02 -1.11 -0.47 112.91 116.24 1hw3 h THR 234 Ca 0.34 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1hw3 h THR 234 Cb -0.14 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1hw3 h THR 234 CO -0.07 0.35 0.31 1.88 0.37 0.00 0.00 175.52 178.36 1hw3 h TYR 235 N 1.04 0.97 0.36 3.16 0.05 -0.49 0.36 116.97 122.41 1hw3 h TYR 235 Ca 0.23 -0.05 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 1hw3 h TYR 235 Cb 0.30 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.75 1hw3 h TYR 235 CO 0.02 0.73 -0.17 0.52 -1.05 0.00 0.00 178.16 178.21 1hw3 h MET 236 N 0.93 -0.46 -0.94 4.88 2.86 -0.65 -1.27 114.93 120.27 1hw3 h MET 236 Ca 0.23 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 1hw3 h MET 236 Cb 0.13 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 1hw3 h MET 236 CO -0.03 -0.19 0.61 0.82 1.06 0.00 0.00 176.91 179.18 1hw3 h ILE 237 N -0.69 1.15 -0.73 -1.22 2.04 -1.03 -1.21 117.51 115.83 1hw3 h ILE 237 Ca -0.05 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1hw3 h ILE 237 Cb 0.48 -0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1hw3 h ILE 237 CO 0.08 0.21 0.28 0.00 0.00 0.00 0.00 178.15 178.72 1hw3 h ALA 238 N 1.39 1.11 0.09 1.87 0.00 -0.87 -2.20 119.26 120.65 1hw3 h ALA 238 Ca 0.38 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1hw3 h ALA 238 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1hw3 h ALA 238 CO -0.13 0.63 -0.04 1.25 0.00 0.00 0.00 179.25 180.96 1hw3 h HIS 239 N 1.07 -0.11 0.00 0.00 -0.00 -0.07 0.37 115.15 116.40 1hw3 h HIS 239 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1hw3 h HIS 239 Cb 0.23 0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.67 1hw3 h HIS 239 CO 0.02 0.03 0.00 -0.84 -0.00 0.00 0.00 177.93 177.14 1hw3 h ILE 240 N -0.24 0.00 -0.57 6.26 3.07 -1.24 -2.80 117.51 121.99 1hw3 h ILE 240 Ca -0.01 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.03 1hw3 h ILE 240 Cb 0.20 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.00 1hw3 h ILE 240 CO 0.02 0.00 0.00 0.35 -1.05 0.00 0.00 178.15 177.47 1hw3 n THR 241 N -2.76 0.99 -1.96 0.16 -2.24 -0.84 -4.97 114.28 102.66 1hw3 n THR 241 Ca 0.01 -0.99 -0.18 0.00 -2.27 0.00 0.00 64.05 60.62 1hw3 n THR 241 Cb 0.25 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1hw3 n THR 241 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hw3 n GLY 242 N 1.19 0.60 3.71 3.38 0.00 -0.78 -5.00 105.19 108.28 1hw3 n GLY 242 Ca 0.19 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1hw3 n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hw3 s LEU 243 N -4.58 3.28 -0.01 0.99 1.43 0.05 -5.04 118.68 114.80 1hw3 s LEU 243 Ca 0.00 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.32 1hw3 s LEU 243 Cb 0.00 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1hw3 s LEU 243 CO 0.00 -0.17 0.30 -0.54 0.23 0.00 0.00 176.35 176.17 1hw3 s LYS 244 N -3.78 3.67 0.31 1.70 1.02 0.06 -4.18 119.74 118.54 1hw3 s LYS 244 Ca 0.35 0.09 -0.29 0.00 0.02 0.00 0.00 55.97 56.14 1hw3 s LYS 244 Cb -0.04 -3.13 -0.10 0.00 -0.52 0.00 0.00 37.83 34.03 1hw3 s LYS 244 CO 0.22 0.68 1.40 -2.14 -0.92 0.00 0.00 175.35 174.58 1hw3 s PRO 245 N -1.43 4.27 0.00 -1.68 0.02 -1.26 0.00 135.00 134.92 1hw3 s PRO 245 Ca 0.24 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1hw3 s PRO 245 Cb -0.14 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1hw3 s PRO 245 CO 0.13 -0.35 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 1hw3 n GLY 246 N 1.21 -0.02 3.25 0.52 0.00 0.12 -4.08 105.19 106.19 1hw3 n GLY 246 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1hw3 n GLY 246 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hw3 s ASP 247 N -0.47 2.00 -0.17 1.61 -0.00 -1.26 -0.54 116.67 117.84 1hw3 s ASP 247 Ca 0.00 -0.86 0.01 0.00 -0.00 0.00 0.00 52.55 51.70 1hw3 s ASP 247 Cb 0.00 -0.06 0.02 0.00 -0.00 0.00 0.00 42.92 42.88 1hw3 s ASP 247 CO 0.00 -0.18 -0.18 0.12 -0.00 0.00 0.00 175.17 174.93 1hw3 s PHE 248 N -2.41 2.57 -0.18 4.23 5.36 -0.15 -1.31 117.98 126.10 1hw3 s PHE 248 Ca 0.11 -1.51 -0.04 0.00 -0.96 0.00 0.00 56.93 54.54 1hw3 s PHE 248 Cb -0.03 -1.81 -0.02 0.00 -0.34 0.00 0.00 43.02 40.81 1hw3 s PHE 248 CO 0.03 -0.76 -0.03 0.42 -1.46 0.00 0.00 175.22 173.42 1hw3 s ILE 249 N 1.36 3.81 -0.23 3.12 1.09 1.00 -0.91 121.20 130.43 1hw3 s ILE 249 Ca 0.05 -0.37 -0.04 0.00 -1.10 0.00 0.00 60.65 59.19 1hw3 s ILE 249 Cb -0.13 -2.70 -0.01 0.00 -1.06 0.00 0.00 42.46 38.56 1hw3 s ILE 249 CO -0.12 0.45 -0.01 -2.28 -0.10 0.00 0.00 174.94 172.88 1hw3 s HIS 250 N 0.80 3.01 -0.04 3.97 2.46 -0.48 0.05 115.29 125.06 1hw3 s HIS 250 Ca -0.01 -0.92 0.07 0.00 0.47 0.00 0.00 55.06 54.67 1hw3 s HIS 250 Cb -0.14 -2.14 -0.02 0.00 -0.13 0.00 0.00 32.58 30.15 1hw3 s HIS 250 CO 0.02 -0.54 -0.24 0.99 -2.47 0.00 0.00 174.74 172.50 1hw3 s THR 251 N 1.49 2.18 0.12 0.89 2.01 0.26 -1.29 115.64 121.29 1hw3 s THR 251 Ca 0.05 -1.05 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1hw3 s THR 251 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1hw3 s THR 251 CO -0.02 0.58 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.54 1hw3 s LEU 252 N -0.47 2.34 0.00 4.42 1.02 -0.16 -1.66 118.68 124.16 1hw3 s LEU 252 Ca 0.06 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.47 1hw3 s LEU 252 Cb -0.11 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.29 1hw3 s LEU 252 CO 0.01 0.01 0.00 0.61 0.02 0.00 0.00 176.35 176.99 1hw3 n GLY 253 N 0.87 0.72 3.55 -3.19 0.00 -0.62 -2.22 105.19 104.29 1hw3 n GLY 253 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1hw3 n GLY 253 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hw3 s ASP 254 N -1.00 5.89 -0.28 1.61 -1.08 -0.86 -0.69 116.67 120.25 1hw3 s ASP 254 Ca 0.00 -0.49 -0.21 0.00 -0.52 0.00 0.00 52.55 51.33 1hw3 s ASP 254 Cb 0.00 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.89 1hw3 s ASP 254 CO 0.00 -2.02 0.65 0.00 0.52 0.00 0.00 175.17 174.32 1hw3 s ALA 255 N 6.94 3.57 0.06 3.66 0.00 -0.15 -0.89 121.76 134.96 1hw3 s ALA 255 Ca 0.50 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1hw3 s ALA 255 Cb -0.07 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1hw3 s ALA 255 CO 0.09 -0.97 -0.06 -3.38 0.00 0.00 0.00 175.76 171.45 1hw3 s HIS 256 N 2.60 0.67 -0.13 0.00 -3.43 -0.61 -1.19 115.29 113.20 1hw3 s HIS 256 Ca 0.27 -0.76 0.03 0.00 -0.80 0.00 0.00 55.06 53.79 1hw3 s HIS 256 Cb -0.15 -0.41 0.00 0.00 -1.43 0.00 0.00 32.58 30.59 1hw3 s HIS 256 CO 0.10 -0.18 -0.21 0.42 -2.00 0.00 0.00 174.74 172.87 1hw3 s ILE 257 N -2.70 2.21 0.23 -5.38 1.01 -0.22 -0.85 121.20 115.51 1hw3 s ILE 257 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 1hw3 s ILE 257 Cb -0.01 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 1hw3 s ILE 257 CO -0.04 0.55 1.10 -0.31 0.00 0.00 0.00 174.94 176.24 1hw3 s TYR 258 N 0.61 3.59 0.32 3.97 1.51 -1.26 -0.71 117.35 125.38 1hw3 s TYR 258 Ca -0.11 1.64 0.09 0.00 -1.01 0.00 0.00 57.07 57.68 1hw3 s TYR 258 Cb -0.16 -3.28 0.94 0.00 -0.11 0.00 0.00 41.96 39.34 1hw3 s TYR 258 CO 0.03 -0.59 1.61 -0.07 -1.11 0.00 0.00 175.55 175.42 1hw3 h LEU 259 N 4.48 0.04 0.00 -1.29 4.07 -1.89 0.27 115.31 121.00 1hw3 h LEU 259 Ca -0.45 0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1hw3 h LEU 259 Cb 1.21 0.30 0.00 0.00 1.08 0.00 0.00 40.66 43.25 1hw3 h LEU 259 CO 0.70 -0.27 0.00 -0.46 -1.08 0.00 0.00 178.44 177.33 1hw3 n ASN 260 N -5.27 0.00 -0.00 -0.43 6.94 -1.26 -2.56 115.26 112.67 1hw3 n ASN 260 Ca 0.28 -0.66 0.08 0.00 -0.02 0.00 0.00 54.58 54.26 1hw3 n ASN 260 Cb 0.90 -0.02 -0.11 0.00 -2.36 0.00 0.00 39.78 38.18 1hw3 n ASN 260 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1hw3 n HIS 261 N -1.02 0.00 -0.06 -2.53 8.25 0.95 -4.61 115.22 116.19 1hw3 n HIS 261 Ca 0.17 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1hw3 n HIS 261 Cb 0.09 -0.15 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 1hw3 n HIS 261 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1hw3 h ILE 262 N 0.00 0.49 -0.29 1.59 2.04 -1.45 0.68 117.51 120.57 1hw3 h ILE 262 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1hw3 h ILE 262 Cb 0.54 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1hw3 h ILE 262 CO 0.00 0.00 0.14 -0.08 0.00 0.00 0.00 178.15 178.21 1hw3 h GLU 263 N -0.16 0.41 -0.31 2.37 4.57 -1.81 0.61 114.58 120.25 1hw3 h GLU 263 Ca 0.15 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1hw3 h GLU 263 Cb 0.39 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 1hw3 h GLU 263 CO -0.37 0.38 -0.08 -1.35 -1.18 0.00 0.00 179.01 176.42 1hw3 h PRO 264 N 0.34 0.51 -0.31 0.92 0.11 -1.76 -2.85 132.00 128.95 1hw3 h PRO 264 Ca 0.10 -0.13 -0.17 0.00 0.11 0.00 0.00 66.00 65.91 1hw3 h PRO 264 Cb 0.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 1hw3 h PRO 264 CO -0.01 0.59 -0.48 -0.07 -0.21 0.00 0.00 178.00 177.82 1hw3 h LEU 265 N 0.48 0.96 -1.59 2.35 3.38 -0.52 -1.76 115.31 118.61 1hw3 h LEU 265 Ca 0.09 -0.51 0.12 0.00 0.09 0.00 0.00 57.88 57.67 1hw3 h LEU 265 Cb 0.43 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1hw3 h LEU 265 CO 0.02 1.29 0.46 0.11 0.09 0.00 0.00 178.44 180.41 1hw3 h LYS 266 N 0.66 0.42 0.05 1.13 1.57 -0.67 -0.57 116.57 119.17 1hw3 h LYS 266 Ca 0.03 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1hw3 h LYS 266 Cb 1.09 -0.10 0.02 0.00 0.08 0.00 0.00 32.23 33.33 1hw3 h LYS 266 CO 0.11 0.28 -1.09 0.82 -0.57 0.00 0.00 179.45 179.00 1hw3 h ILE 267 N 0.43 1.30 -0.70 1.86 2.04 -1.31 -3.19 117.51 117.95 1hw3 h ILE 267 Ca 0.32 -2.33 0.02 0.00 1.00 0.00 0.00 64.86 63.88 1hw3 h ILE 267 Cb 0.67 2.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.27 1hw3 h ILE 267 CO -0.10 0.71 0.46 -0.61 0.00 0.00 0.00 178.15 178.61 1hw3 h GLN 268 N 0.28 0.86 0.00 2.37 4.15 -0.36 -1.56 115.11 120.85 1hw3 h GLN 268 Ca -0.15 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1hw3 h GLN 268 Cb 1.76 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.25 1hw3 h GLN 268 CO 0.21 0.57 0.00 -0.07 -1.93 0.00 0.00 178.83 177.61 1hw3 h LEU 269 N 0.89 0.00 -0.06 -2.39 3.38 -1.13 -1.01 115.31 115.00 1hw3 h LEU 269 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1hw3 h LEU 269 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1hw3 h LEU 269 CO -0.07 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.15 1hw3 n GLN 270 N -2.37 0.13 -3.32 1.13 6.02 -0.59 -4.87 117.38 113.51 1hw3 n GLN 270 Ca -0.01 -0.06 -0.37 0.00 -0.01 0.00 0.00 57.00 56.55 1hw3 n GLN 270 Cb 0.08 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.78 1hw3 n GLN 270 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1hw3 s ARG 271 N -2.91 4.09 -0.19 -1.09 0.52 -0.38 -5.07 118.95 113.92 1hw3 s ARG 271 Ca 0.15 0.62 -0.15 0.00 -0.52 0.00 0.00 55.73 55.82 1hw3 s ARG 271 Cb 0.18 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 1hw3 s ARG 271 CO 0.62 0.57 0.38 -2.00 0.02 0.00 0.00 175.30 174.89 1hw3 s GLU 272 N -1.48 4.19 0.58 3.54 2.12 -1.26 -4.97 118.70 121.42 1hw3 s GLU 272 Ca 0.33 0.18 -0.21 0.00 0.36 0.00 0.00 54.97 55.63 1hw3 s GLU 272 Cb -0.17 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1hw3 s GLU 272 CO 0.19 0.02 1.35 -2.14 -0.54 0.00 0.00 175.26 174.14 1hw3 s PRO 273 N 1.12 2.94 0.17 4.30 0.02 -1.26 -4.87 135.00 137.42 1hw3 s PRO 273 Ca 0.19 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.47 1hw3 s PRO 273 Cb -0.14 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.21 1hw3 s PRO 273 CO 0.07 -1.34 0.06 1.03 -0.33 0.00 0.00 177.00 176.50 1hw3 s ARG 274 N -3.05 2.63 0.13 5.54 3.00 -1.26 -5.05 118.95 120.88 1hw3 s ARG 274 Ca 0.75 -1.00 -0.34 0.00 0.00 0.00 0.00 55.73 55.14 1hw3 s ARG 274 Cb -0.40 -2.49 -0.17 0.00 0.00 0.00 0.00 34.95 31.89 1hw3 s ARG 274 CO 0.46 0.47 1.14 -2.30 0.00 0.00 0.00 175.30 175.07 1hw3 n PRO 275 N -0.21 0.92 -1.50 3.54 -0.02 -1.26 -4.83 135.00 131.64 1hw3 n PRO 275 Ca -0.09 0.33 -0.36 0.00 -2.02 0.00 0.00 63.50 61.35 1hw3 n PRO 275 Cb 0.55 -1.82 0.08 0.00 -0.02 0.00 0.00 33.50 32.29 1hw3 n PRO 275 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1hw3 n PHE 276 N 1.61 1.11 -1.54 6.00 3.72 -1.26 -4.79 117.46 122.32 1hw3 n PHE 276 Ca 0.17 0.41 -0.13 0.00 -0.05 0.00 0.00 57.45 57.85 1hw3 n PHE 276 Cb 0.21 -2.15 0.09 0.00 -0.94 0.00 0.00 39.48 36.69 1hw3 n PHE 276 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1hw3 n PRO 277 N -1.83 -0.49 -4.58 -1.08 -0.04 -1.25 -4.78 135.00 120.95 1hw3 n PRO 277 Ca 0.14 -0.98 -0.29 0.00 -0.04 0.00 0.00 63.50 62.32 1hw3 n PRO 277 Cb 0.49 -0.59 -0.14 0.00 -0.04 0.00 0.00 33.50 33.22 1hw3 n PRO 277 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1hw3 s LYS 278 N -4.25 1.59 -0.19 0.54 1.02 0.40 -0.78 119.74 118.07 1hw3 s LYS 278 Ca 0.34 -1.24 -0.04 0.00 0.02 0.00 0.00 55.97 55.05 1hw3 s LYS 278 Cb -0.01 -1.95 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1hw3 s LYS 278 CO 0.24 0.48 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.93 1hw3 s LEU 279 N -1.75 3.06 0.01 3.17 2.96 -1.26 -0.31 118.68 124.55 1hw3 s LEU 279 Ca 0.13 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1hw3 s LEU 279 Cb -0.10 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1hw3 s LEU 279 CO 0.05 0.07 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.84 1hw3 s ARG 280 N 0.92 2.20 -0.53 1.98 0.52 -0.34 -4.97 118.95 118.72 1hw3 s ARG 280 Ca -0.00 -0.89 -0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1hw3 s ARG 280 Cb -0.15 -2.22 0.14 0.00 0.52 0.00 0.00 34.95 33.25 1hw3 s ARG 280 CO 0.01 0.57 0.33 0.42 0.02 0.00 0.00 175.30 176.64 1hw3 s ILE 281 N -0.82 3.32 -0.64 1.52 1.01 -1.26 -1.37 121.20 122.96 1hw3 s ILE 281 Ca 0.13 -2.76 0.00 0.00 0.00 0.00 0.00 60.65 58.02 1hw3 s ILE 281 Cb -0.10 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1hw3 s ILE 281 CO 0.03 -0.80 0.54 0.00 0.00 0.00 0.00 174.94 174.71 1hw3 n LEU 282 N 3.74 1.36 -3.70 2.97 -0.00 -1.04 -4.74 117.00 115.60 1hw3 n LEU 282 Ca 0.05 -0.68 -0.14 0.00 -0.00 0.00 0.00 56.01 55.24 1hw3 n LEU 282 Cb 0.38 -0.40 -0.09 0.00 -0.00 0.00 0.00 43.42 43.31 1hw3 n LEU 282 CO 0.33 0.27 0.18 -0.60 -0.00 0.00 0.00 177.39 177.57 1hw3 s ARG 283 N -0.57 0.62 -0.43 1.47 3.00 -1.26 -5.07 118.95 116.70 1hw3 s ARG 283 Ca 0.00 0.58 -0.26 0.00 -1.00 0.00 0.00 55.73 55.05 1hw3 s ARG 283 Cb 0.00 0.30 0.02 0.00 0.00 0.00 0.00 34.95 35.27 1hw3 s ARG 283 CO 0.00 -0.10 0.95 0.21 0.00 0.00 0.00 175.30 176.36 1hw3 s LYS 284 N 0.01 3.68 -0.05 5.12 2.36 -1.26 -5.02 119.74 124.57 1hw3 s LYS 284 Ca -0.02 0.37 0.00 0.00 -2.55 0.00 0.00 55.97 53.78 1hw3 s LYS 284 Cb -0.03 -3.88 -0.03 0.00 -1.05 0.00 0.00 37.83 32.84 1hw3 s LYS 284 CO 0.02 -1.13 -0.04 0.08 1.55 0.00 0.00 175.35 175.82 1hw3 s VAL 285 N 3.73 3.93 -0.17 4.02 1.01 -1.26 -5.04 120.40 126.62 1hw3 s VAL 285 Ca 0.39 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 62.00 1hw3 s VAL 285 Cb -0.10 -2.65 -0.18 0.00 0.00 0.00 0.00 36.38 33.44 1hw3 s VAL 285 CO 0.24 0.54 -0.01 -0.62 0.00 0.00 0.00 175.10 175.25 1hw3 n GLU 286 N 1.99 1.14 -4.83 2.72 1.02 -1.26 -4.53 120.64 116.89 1hw3 n GLU 286 Ca -0.17 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.69 1hw3 n GLU 286 Cb 0.53 -1.41 -0.14 0.00 -0.02 0.00 0.00 31.44 30.40 1hw3 n GLU 286 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1hw3 s LYS 287 N -2.39 2.06 0.51 3.49 1.02 -1.26 -4.90 119.74 118.27 1hw3 s LYS 287 Ca -0.14 -0.97 0.18 0.00 0.02 0.00 0.00 55.97 55.07 1hw3 s LYS 287 Cb 0.05 -2.14 1.27 0.00 -0.52 0.00 0.00 37.83 36.50 1hw3 s LYS 287 CO 0.60 0.55 2.08 0.97 -0.92 0.00 0.00 175.35 178.63 1hw3 h ILE 288 N 4.13 0.91 0.00 2.17 6.09 -1.96 -1.23 117.51 127.63 1hw3 h ILE 288 Ca -0.47 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1hw3 h ILE 288 Cb 1.15 0.85 0.00 0.00 0.47 0.00 0.00 36.82 39.29 1hw3 h ILE 288 CO 0.47 0.01 0.00 0.44 -3.07 0.00 0.00 178.15 176.00 1hw3 h ASP 289 N 0.06 0.00 0.94 2.19 3.32 -1.95 -3.22 116.42 117.75 1hw3 h ASP 289 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1hw3 h ASP 289 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1hw3 h ASP 289 CO -0.01 0.00 -0.14 0.47 -1.72 0.00 0.00 179.24 177.84 1hw3 n ASP 290 N -2.98 0.24 -4.77 6.45 10.43 -0.46 -4.91 116.55 120.55 1hw3 n ASP 290 Ca 0.02 0.33 -0.41 0.00 2.57 0.00 0.00 54.79 57.29 1hw3 n ASP 290 Cb 0.36 -0.34 -0.01 0.00 1.84 0.00 0.00 41.12 42.97 1hw3 n ASP 290 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 1hw3 s PHE 291 N -3.02 2.74 0.09 1.24 0.08 -1.22 -5.02 117.98 112.87 1hw3 s PHE 291 Ca 0.13 1.15 0.06 0.00 0.12 0.00 0.00 56.93 58.38 1hw3 s PHE 291 Cb 0.18 -3.95 -0.03 0.00 -0.57 0.00 0.00 43.02 38.65 1hw3 s PHE 291 CO 0.58 -2.83 -0.15 0.15 -0.10 0.00 0.00 175.22 172.87 1hw3 s LYS 292 N -1.65 0.94 0.35 0.44 1.02 -1.26 -5.04 119.74 114.55 1hw3 s LYS 292 Ca 0.54 -1.09 0.13 0.00 0.02 0.00 0.00 55.97 55.57 1hw3 s LYS 292 Cb -0.45 -0.96 0.96 0.00 -0.52 0.00 0.00 37.83 36.86 1hw3 s LYS 292 CO 0.57 0.21 1.75 0.00 -0.92 0.00 0.00 175.35 176.96 1hw3 h ALA 293 N 4.00 1.96 0.00 5.17 0.00 -1.95 0.13 119.26 128.56 1hw3 h ALA 293 Ca -0.42 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1hw3 h ALA 293 Cb 1.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1hw3 h ALA 293 CO 0.43 -0.39 -0.03 0.93 0.00 0.00 0.00 179.25 180.19 1hw3 h GLU 294 N 0.53 0.00 0.00 0.00 3.07 -2.01 -2.58 114.58 113.59 1hw3 h GLU 294 Ca 0.62 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1hw3 h GLU 294 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1hw3 h GLU 294 CO -0.39 0.03 0.00 -0.44 -1.40 0.00 0.00 179.01 176.81 1hw3 h ASP 295 N 0.00 0.00 -3.62 1.42 3.45 -1.13 -3.44 116.42 113.10 1hw3 h ASP 295 Ca -0.00 0.00 -0.67 0.00 0.43 0.00 0.00 57.03 56.79 1hw3 h ASP 295 Cb 0.32 0.00 -0.17 0.00 -0.56 0.00 0.00 39.33 38.92 1hw3 h ASP 295 CO 0.00 0.00 -0.71 -0.36 -1.57 0.00 0.00 179.24 176.60 1hw3 s PHE 296 N -3.53 2.87 -0.15 4.55 0.40 -0.97 -2.48 117.98 118.66 1hw3 s PHE 296 Ca 0.02 -0.06 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 1hw3 s PHE 296 Cb 0.09 -1.59 0.07 0.00 0.51 0.00 0.00 43.02 42.10 1hw3 s PHE 296 CO 0.41 0.37 0.21 -1.14 0.70 0.00 0.00 175.22 175.77 1hw3 s GLN 297 N -1.46 0.13 0.07 0.44 0.74 -0.47 -4.99 119.66 114.12 1hw3 s GLN 297 Ca 0.17 0.44 -0.28 0.00 0.05 0.00 0.00 55.36 55.74 1hw3 s GLN 297 Cb -0.11 -0.65 -0.05 0.00 1.10 0.00 0.00 33.01 33.29 1hw3 s GLN 297 CO 0.08 -0.46 0.88 0.42 -0.55 0.00 0.00 175.29 175.65 1hw3 s ILE 298 N 2.33 4.65 -0.00 -2.34 -1.09 -1.26 -1.19 121.20 122.30 1hw3 s ILE 298 Ca 0.04 1.87 0.05 0.00 -2.23 0.00 0.00 60.65 60.39 1hw3 s ILE 298 Cb -0.14 -4.23 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 1hw3 s ILE 298 CO -0.09 0.31 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.17 1hw3 s GLU 299 N 0.13 1.21 -0.64 2.79 2.02 0.57 -4.78 118.70 119.99 1hw3 s GLU 299 Ca 0.44 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1hw3 s GLU 299 Cb -0.22 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1hw3 s GLU 299 CO 0.26 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.27 1hw3 n GLY 300 N 2.56 0.59 3.57 -1.39 0.00 -1.26 -0.45 105.19 108.81 1hw3 n GLY 300 Ca -0.15 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1hw3 n GLY 300 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hw3 s TYR 301 N -2.27 2.85 -0.62 1.61 5.04 -1.26 -4.24 117.35 118.46 1hw3 s TYR 301 Ca 0.00 0.45 0.06 0.00 -2.44 0.00 0.00 57.07 55.13 1hw3 s TYR 301 Cb 0.00 -4.17 0.23 0.00 0.35 0.00 0.00 41.96 38.37 1hw3 s TYR 301 CO 0.00 -1.22 0.66 -1.71 -1.34 0.00 0.00 175.55 171.94 1hw3 n ASN 302 N 7.51 3.06 -4.88 4.32 4.05 -1.26 -5.08 115.26 122.98 1hw3 n ASN 302 Ca 0.08 -3.28 -0.30 0.00 0.45 0.00 0.00 54.58 51.53 1hw3 n ASN 302 Cb 0.49 -0.68 0.02 0.00 1.23 0.00 0.00 39.78 40.84 1hw3 n ASN 302 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1hw3 s PRO 303 N -2.05 3.37 0.82 1.20 0.04 -1.26 -4.80 135.00 132.32 1hw3 s PRO 303 Ca 0.36 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1hw3 s PRO 303 Cb 0.11 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.64 1hw3 s PRO 303 CO -0.06 -0.67 1.14 -1.01 0.04 0.00 0.00 177.00 176.44 1hw3 s HIS 304 N -3.19 2.85 0.73 0.56 3.76 0.49 -4.88 115.29 115.62 1hw3 s HIS 304 Ca 0.55 0.91 -0.16 0.00 -0.15 0.00 0.00 55.06 56.21 1hw3 s HIS 304 Cb -0.11 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.26 1hw3 s HIS 304 CO 0.52 -1.87 0.87 -2.30 -0.85 0.00 0.00 174.74 171.11 1hw3 n PRO 305 N -3.44 0.42 -1.72 8.40 -0.02 -1.26 -2.24 135.00 135.14 1hw3 n PRO 305 Ca 0.07 0.20 -0.39 0.00 -2.02 0.00 0.00 63.50 61.36 1hw3 n PRO 305 Cb 0.59 -2.13 0.04 0.00 -0.02 0.00 0.00 33.50 31.97 1hw3 n PRO 305 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1hw3 n THR 306 N -2.55 3.47 -4.25 3.45 -1.04 -1.26 -3.49 114.28 108.60 1hw3 n THR 306 Ca 0.12 -0.50 -0.28 0.00 -2.04 0.00 0.00 64.05 61.35 1hw3 n THR 306 Cb 0.50 -1.60 -0.17 0.00 -1.82 0.00 0.00 70.33 67.24 1hw3 n THR 306 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1hw3 s ILE 307 N -1.28 1.43 -0.05 12.58 1.01 -1.26 -4.88 121.20 128.74 1hw3 s ILE 307 Ca 0.69 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 1hw3 s ILE 307 Cb -0.44 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1hw3 s ILE 307 CO 0.51 0.43 0.62 -0.54 0.00 0.00 0.00 174.94 175.97 1hw3 s LYS 308 N 1.23 4.38 -0.17 2.79 -0.14 -1.26 -5.01 119.74 121.56 1hw3 s LYS 308 Ca -0.02 0.76 0.01 0.00 -1.36 0.00 0.00 55.97 55.36 1hw3 s LYS 308 Cb -0.14 -3.40 0.01 0.00 -1.68 0.00 0.00 37.83 32.62 1hw3 s LYS 308 CO -0.05 0.20 -0.18 -1.64 -0.76 0.00 0.00 175.35 172.92 1hw3 s MET 309 N 0.38 3.09 0.00 1.68 -1.94 -1.26 -4.95 119.30 116.30 1hw3 s MET 309 Ca 0.33 -0.80 0.04 0.00 -1.71 0.00 0.00 55.69 53.55 1hw3 s MET 309 Cb -0.18 -2.59 0.22 0.00 2.01 0.00 0.00 34.83 34.30 1hw3 s MET 309 CO 0.17 -0.10 0.70 0.39 -0.01 0.00 0.00 175.02 176.16