#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfw s LEU 4 N 0.00 4.32 0.58 3.14 1.43 -1.26 -5.02 118.68 121.87 1hfw s LEU 4 Ca 0.00 2.55 -0.14 0.00 -1.03 0.00 0.00 54.13 55.51 1hfw s LEU 4 Cb 0.00 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1hfw s LEU 4 CO 0.00 -0.62 1.02 -2.16 0.23 0.00 0.00 176.35 174.82 1hfw s PRO 5 N -2.01 3.62 -0.31 1.29 0.04 -1.26 -4.68 135.00 131.70 1hfw s PRO 5 Ca 0.53 0.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.34 1hfw s PRO 5 Cb -0.36 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1hfw s PRO 5 CO 0.47 -0.55 0.38 -0.80 0.04 0.00 0.00 177.00 176.54 1hfw s ASN 6 N -3.46 6.23 -0.09 6.66 0.01 -1.26 -1.24 114.94 121.78 1hfw s ASN 6 Ca 0.58 0.04 0.04 0.00 -0.71 0.00 0.00 52.86 52.81 1hfw s ASN 6 Cb -0.12 -2.21 -0.00 0.00 0.41 0.00 0.00 41.25 39.33 1hfw s ASN 6 CO 0.42 -0.28 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.87 1hfw s ILE 7 N 2.09 2.19 -0.17 0.60 -1.09 -0.68 -1.24 121.20 122.89 1hfw s ILE 7 Ca 0.14 -0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 57.48 1hfw s ILE 7 Cb -0.16 -1.83 -0.05 0.00 -1.58 0.00 0.00 42.46 38.84 1hfw s ILE 7 CO 0.11 0.56 0.15 -0.69 -1.23 0.00 0.00 174.94 173.84 1hfw s VAL 8 N 0.20 5.43 -0.37 2.92 1.01 -1.04 -2.21 120.40 126.34 1hfw s VAL 8 Ca -0.14 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 1hfw s VAL 8 Cb -0.17 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1hfw s VAL 8 CO 0.07 0.49 0.17 -0.63 0.00 0.00 0.00 175.10 175.20 1hfw s ILE 9 N -0.03 4.20 -0.44 2.22 1.01 -0.51 -1.38 121.20 126.27 1hfw s ILE 9 Ca 0.11 -1.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 1hfw s ILE 9 Cb -0.11 -3.39 0.05 0.00 0.01 0.00 0.00 42.46 39.01 1hfw s ILE 9 CO 0.00 -0.25 0.34 -0.22 0.00 0.00 0.00 174.94 174.81 1hfw s LEU 10 N 1.47 5.34 0.09 2.97 2.96 0.49 -0.88 118.68 131.13 1hfw s LEU 10 Ca 0.01 -1.15 -0.21 0.00 -0.22 0.00 0.00 54.13 52.56 1hfw s LEU 10 Cb -0.20 -2.15 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 1hfw s LEU 10 CO 0.04 -0.55 0.63 0.00 -1.32 0.00 0.00 176.35 175.15 1hfw s ALA 11 N 1.64 3.55 0.00 5.97 0.00 -0.38 -2.41 121.76 130.13 1hfw s ALA 11 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1hfw s ALA 11 Cb -0.22 -2.73 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1hfw s ALA 11 CO 0.08 0.36 0.00 0.25 0.00 0.00 0.00 175.76 176.45 1hfw n THR 12 N 1.74 0.00 -0.37 0.00 -2.24 -1.03 -0.62 114.28 111.76 1hfw n THR 12 Ca -0.09 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1hfw n THR 12 Cb 0.50 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1hfw n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hfw n GLY 13 N 1.59 0.50 0.00 3.38 0.00 -1.25 -1.89 105.19 107.52 1hfw n GLY 13 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1hfw n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfw n GLY 14 N 0.00 -0.06 0.00 -0.02 0.00 -1.22 -3.89 105.19 100.00 1hfw n GLY 14 Ca 0.00 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1hfw n GLY 14 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hfw n THR 15 N 0.11 0.01 -0.01 2.61 5.66 -1.26 -3.84 114.28 117.56 1hfw n THR 15 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1hfw n THR 15 Cb 0.00 -0.58 -0.08 0.00 -1.55 0.00 0.00 70.33 68.12 1hfw n THR 15 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1hfw h ILE 16 N 0.00 1.01 -2.36 1.09 2.10 -1.83 -3.01 117.51 114.50 1hfw h ILE 16 Ca 0.00 -1.48 0.00 0.00 1.08 0.00 0.00 64.86 64.46 1hfw h ILE 16 Cb 0.02 1.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 1hfw h ILE 16 CO 0.00 0.30 0.00 0.00 -1.08 0.00 0.00 178.15 177.37 1hfw n ALA 17 N -2.61 0.00 -0.04 0.18 0.00 -1.25 -4.60 120.51 112.19 1hfw n ALA 17 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 1hfw n ALA 17 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.69 1hfw n ALA 17 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1hfw n VAL 36 N 0.00 0.50 0.17 0.00 3.14 -1.26 -4.76 118.33 116.12 1hfw n VAL 36 Ca 0.00 -0.22 -0.14 0.00 -2.96 0.00 0.00 64.34 61.02 1hfw n VAL 36 Cb 0.00 -0.81 -0.07 0.00 -1.06 0.00 0.00 33.84 31.89 1hfw n VAL 36 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1hfw h ASP 37 N 0.00 -0.39 -0.25 6.55 2.03 -1.99 -1.60 116.42 120.78 1hfw h ASP 37 Ca -0.20 0.02 0.06 0.00 -0.73 0.00 0.00 57.03 56.19 1hfw h ASP 37 Cb 1.33 0.11 -0.07 0.00 -0.83 0.00 0.00 39.33 39.87 1hfw h ASP 37 CO -0.02 -0.25 -0.28 0.71 -1.03 0.00 0.00 179.24 178.36 1hfw h THR 38 N -0.40 0.32 -0.53 1.15 1.35 -1.97 0.19 112.91 113.03 1hfw h THR 38 Ca -0.03 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 65.91 1hfw h THR 38 Cb 0.33 0.32 -0.10 0.00 -1.73 0.00 0.00 68.15 66.97 1hfw h THR 38 CO 0.03 0.00 -0.46 0.25 -0.25 0.00 0.00 175.52 175.09 1hfw h LEU 39 N -0.29 -1.58 -0.99 3.87 6.46 -1.79 0.18 115.31 121.16 1hfw h LEU 39 Ca 0.13 0.24 0.08 0.00 -0.12 0.00 0.00 57.88 58.21 1hfw h LEU 39 Cb 0.50 0.70 -0.07 0.00 -0.73 0.00 0.00 40.66 41.06 1hfw h LEU 39 CO -0.41 -0.35 0.64 0.40 -0.62 0.00 0.00 178.44 178.09 1hfw h ILE 40 N -0.27 1.05 0.00 4.05 2.04 -0.28 0.31 117.51 124.40 1hfw h ILE 40 Ca 0.15 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1hfw h ILE 40 Cb 0.57 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1hfw h ILE 40 CO -0.66 0.21 0.00 0.59 0.00 0.00 0.00 178.15 178.29 1hfw n ASN 41 N -4.53 0.00 0.04 1.72 3.02 0.58 -2.81 115.26 113.28 1hfw n ASN 41 Ca 0.16 0.09 -0.11 0.00 -0.03 0.00 0.00 54.58 54.69 1hfw n ASN 41 Cb 0.21 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 1hfw n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hfw h ALA 42 N 2.95 0.42 -2.11 5.41 0.00 0.14 -3.39 119.26 122.67 1hfw h ALA 42 Ca 0.00 -1.12 -0.58 0.00 0.00 0.00 0.00 54.91 53.21 1hfw h ALA 42 Cb 0.23 0.16 -0.41 0.00 0.00 0.00 0.00 17.79 17.77 1hfw h ALA 42 CO 0.00 1.29 -0.83 1.33 0.00 0.00 0.00 179.25 181.04 1hfw n VAL 43 N -3.31 0.96 0.28 0.00 0.24 -1.12 -4.95 118.33 110.42 1hfw n VAL 43 Ca -0.10 -4.66 0.15 0.00 -2.04 0.00 0.00 64.34 57.69 1hfw n VAL 43 Cb 1.01 -2.03 0.79 0.00 -1.47 0.00 0.00 33.84 32.14 1hfw n VAL 43 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1hfw h PRO 44 N 4.12 0.00 -0.03 7.34 0.13 -1.77 -2.29 132.00 139.51 1hfw h PRO 44 Ca 0.14 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.28 1hfw h PRO 44 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1hfw h PRO 44 CO 0.66 0.00 0.14 0.93 -0.23 0.00 0.00 178.00 179.51 1hfw h GLU 45 N 0.00 0.00 0.00 0.86 3.07 -1.92 0.72 114.58 117.31 1hfw h GLU 45 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1hfw h GLU 45 Cb 0.42 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1hfw h GLU 45 CO 0.00 0.00 -0.13 -0.39 -1.40 0.00 0.00 179.01 177.09 1hfw h VAL 46 N 0.00 0.86 0.00 3.13 -1.51 -1.77 -0.62 116.25 116.34 1hfw h VAL 46 Ca 0.01 -0.47 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 1hfw h VAL 46 Cb 0.30 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1hfw h VAL 46 CO -0.00 0.12 0.00 0.11 -1.23 0.00 0.00 177.57 176.57 1hfw h LYS 47 N 0.00 0.00 0.00 5.19 1.79 -1.04 -0.03 116.57 122.49 1hfw h LYS 47 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1hfw h LYS 47 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1hfw h LYS 47 CO 0.02 0.00 -0.42 0.87 -1.08 0.00 0.00 179.45 178.84 1hfw h LYS 48 N 0.00 0.00 0.00 3.15 1.57 -1.25 -3.33 116.57 116.70 1hfw h LYS 48 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 1hfw h LYS 48 Cb 0.26 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1hfw h LYS 48 CO 0.00 0.00 -1.99 1.28 -0.57 0.00 0.00 179.45 178.17 1hfw n LEU 49 N -2.64 0.59 -3.78 2.94 4.77 -0.10 -5.06 117.00 113.72 1hfw n LEU 49 Ca 0.03 0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1hfw n LEU 49 Cb 0.50 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1hfw n LEU 49 CO 0.36 0.45 0.88 0.00 -1.33 0.00 0.00 177.39 177.74 1hfw s ALA 50 N -2.55 -1.87 -0.60 -1.18 0.00 -0.72 -4.53 121.76 110.29 1hfw s ALA 50 Ca -0.07 0.13 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 1hfw s ALA 50 Cb 0.07 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.91 1hfw s ALA 50 CO 0.82 -1.06 0.77 -0.80 0.00 0.00 0.00 175.76 175.48 1hfw s ASN 51 N -3.17 6.19 0.03 0.00 0.01 -0.38 -4.32 114.94 113.30 1hfw s ASN 51 Ca 0.17 -1.27 -0.01 0.00 -0.71 0.00 0.00 52.86 51.05 1hfw s ASN 51 Cb 0.00 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1hfw s ASN 51 CO 0.01 -1.18 0.20 0.68 -1.51 0.00 0.00 177.10 175.30 1hfw s VAL 52 N 3.04 5.39 -0.05 1.60 -7.23 -1.26 -1.69 120.40 120.20 1hfw s VAL 52 Ca 0.15 -0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 1hfw s VAL 52 Cb -0.22 -3.59 0.04 0.00 0.56 0.00 0.00 36.38 33.17 1hfw s VAL 52 CO 0.08 0.21 0.09 -1.59 -0.31 0.00 0.00 175.10 173.58 1hfw s LYS 53 N -2.29 -0.00 0.02 4.82 -2.85 -0.94 -4.99 119.74 113.51 1hfw s LYS 53 Ca 0.32 0.36 -0.07 0.00 -1.00 0.00 0.00 55.97 55.58 1hfw s LYS 53 Cb -0.13 -0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.29 1hfw s LYS 53 CO 0.24 -0.24 0.28 0.20 0.10 0.00 0.00 175.35 175.94 1hfw s GLY 54 N 1.62 2.26 -0.05 0.59 0.00 -1.26 -1.42 107.32 109.05 1hfw s GLY 54 Ca -0.03 -0.56 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1hfw s GLY 54 CO -0.04 -0.38 -0.05 1.85 0.00 0.00 0.00 173.10 174.47 1hfw s GLU 55 N -1.82 0.94 -0.55 2.90 2.12 -0.06 -4.94 118.70 117.28 1hfw s GLU 55 Ca 0.29 -0.13 -0.22 0.00 0.36 0.00 0.00 54.97 55.26 1hfw s GLU 55 Cb -0.13 -0.94 0.05 0.00 0.26 0.00 0.00 34.13 33.37 1hfw s GLU 55 CO 0.17 -0.09 0.84 -1.14 -0.54 0.00 0.00 175.26 174.50 1hfw s GLN 56 N 1.00 3.24 -0.02 4.30 2.00 -1.26 -1.25 119.66 127.66 1hfw s GLN 56 Ca -0.10 -0.54 -0.15 0.00 -2.00 0.00 0.00 55.36 52.57 1hfw s GLN 56 Cb -0.14 -4.09 -0.33 0.00 0.80 0.00 0.00 33.01 29.25 1hfw s GLN 56 CO -0.00 -1.45 0.82 0.35 -0.50 0.00 0.00 175.29 174.51 1hfw h PHE 57 N 9.25 0.79 -2.52 1.67 3.57 -1.21 -3.48 116.94 125.00 1hfw h PHE 57 Ca -0.27 -0.58 0.10 0.00 3.53 0.00 0.00 57.97 60.76 1hfw h PHE 57 Cb 1.08 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1hfw h PHE 57 CO 0.87 1.58 0.45 -1.13 -2.23 0.00 0.00 178.31 177.85 1hfw n SER 58 N -3.74 -1.60 -2.93 0.41 3.41 -1.02 -5.00 113.62 103.14 1hfw n SER 58 Ca -0.20 -1.91 -0.11 0.00 -0.26 0.00 0.00 58.87 56.38 1hfw n SER 58 Cb 1.04 2.62 -0.02 0.00 -0.26 0.00 0.00 64.21 67.60 1hfw n SER 58 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1hfw n ASN 59 N -1.26 -2.54 -3.92 4.04 2.85 -1.05 -3.77 115.26 109.61 1hfw n ASN 59 Ca -0.03 -2.81 -0.10 0.00 -0.11 0.00 0.00 54.58 51.53 1hfw n ASN 59 Cb 0.50 1.10 -0.10 0.00 1.24 0.00 0.00 39.78 42.52 1hfw n ASN 59 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1hfw s MET 60 N 0.58 0.51 0.40 1.20 0.23 -0.79 -4.92 119.30 116.51 1hfw s MET 60 Ca 0.31 -0.62 -0.27 0.00 -1.03 0.00 0.00 55.69 54.09 1hfw s MET 60 Cb 0.04 0.20 -0.09 0.00 -1.53 0.00 0.00 34.83 33.44 1hfw s MET 60 CO -0.11 -0.12 1.39 0.00 -2.03 0.00 0.00 175.02 174.15 1hfw s ALA 61 N -2.03 3.38 0.61 3.16 0.00 -1.26 -3.39 121.76 122.23 1hfw s ALA 61 Ca -0.10 1.39 0.38 0.00 0.00 0.00 0.00 51.96 53.63 1hfw s ALA 61 Cb -0.05 -3.55 2.12 0.00 0.00 0.00 0.00 23.12 21.65 1hfw s ALA 61 CO -0.02 -0.96 2.31 0.66 0.00 0.00 0.00 175.76 177.75 1hfw h SER 62 N 2.79 0.00 0.41 0.00 4.64 -1.95 -1.74 113.55 117.70 1hfw h SER 62 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1hfw h SER 62 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1hfw h SER 62 CO 0.63 0.01 0.00 1.05 -0.87 0.00 0.00 176.83 177.65 1hfw h GLU 63 N 0.00 0.00 -0.58 4.77 9.09 -1.94 -1.95 114.58 123.98 1hfw h GLU 63 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1hfw h GLU 63 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1hfw h GLU 63 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 1hfw n ASN 64 N -2.37 3.63 -4.75 3.06 3.02 -0.65 -4.97 115.26 112.23 1hfw n ASN 64 Ca 0.00 -2.05 -0.41 0.00 -0.03 0.00 0.00 54.58 52.09 1hfw n ASN 64 Cb 0.15 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1hfw n ASN 64 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1hfw s MET 65 N -1.09 4.48 0.24 3.52 -1.94 -0.73 -5.02 119.30 118.75 1hfw s MET 65 Ca 0.40 1.98 0.10 0.00 -1.71 0.00 0.00 55.69 56.45 1hfw s MET 65 Cb 0.21 -3.18 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 1hfw s MET 65 CO 0.26 -0.07 -0.18 0.95 -0.01 0.00 0.00 175.02 175.97 1hfw s THR 66 N -0.58 2.15 0.27 2.05 -4.23 -1.26 -5.04 115.64 109.00 1hfw s THR 66 Ca 0.50 -2.30 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1hfw s THR 66 Cb -0.35 -2.17 0.26 0.00 1.34 0.00 0.00 72.50 71.58 1hfw s THR 66 CO 0.42 -0.47 1.80 1.23 -0.54 0.00 0.00 174.62 177.06 1hfw h GLY 67 N 2.45 1.54 1.90 3.99 0.00 -1.99 -1.26 103.07 109.70 1hfw h GLY 67 Ca -0.39 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1hfw h GLY 67 CO 0.60 0.05 -0.28 -0.55 0.00 0.00 0.00 176.54 176.37 1hfw h ASP 68 N 0.81 0.12 0.04 0.19 3.32 -1.96 -0.36 116.42 118.58 1hfw h ASP 68 Ca 0.49 -0.03 -0.24 0.00 0.02 0.00 0.00 57.03 57.26 1hfw h ASP 68 Cb 0.60 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.14 1hfw h ASP 68 CO -0.31 0.40 -0.97 0.58 -1.72 0.00 0.00 179.24 177.21 1hfw h VAL 69 N 0.11 1.33 -0.91 -1.35 2.07 -1.71 -2.76 116.25 113.03 1hfw h VAL 69 Ca 0.02 -2.28 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 1hfw h VAL 69 Cb 0.55 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.86 1hfw h VAL 69 CO 0.04 0.69 0.50 0.58 0.02 0.00 0.00 177.57 179.40 1hfw h VAL 70 N 0.18 1.26 -0.68 2.57 2.07 -1.09 -0.66 116.25 119.90 1hfw h VAL 70 Ca -0.13 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 66.77 1hfw h VAL 70 Cb 1.66 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1hfw h VAL 70 CO 0.19 0.29 0.43 0.25 0.02 0.00 0.00 177.57 178.75 1hfw h LEU 71 N 1.27 0.70 -0.79 2.57 5.85 -1.06 -0.07 115.31 123.78 1hfw h LEU 71 Ca 0.32 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.93 1hfw h LEU 71 Cb 0.03 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1hfw h LEU 71 CO -0.05 0.48 -0.21 0.11 -0.34 0.00 0.00 178.44 178.43 1hfw h LYS 72 N 0.83 0.68 -0.05 1.25 1.57 -1.10 -2.37 116.57 117.38 1hfw h LYS 72 Ca 0.28 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1hfw h LYS 72 Cb 0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1hfw h LYS 72 CO -0.11 0.84 0.02 1.25 -0.57 0.00 0.00 179.45 180.88 1hfw h LEU 73 N 0.60 0.07 -0.68 2.94 5.85 -0.36 -0.78 115.31 122.96 1hfw h LEU 73 Ca 0.09 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1hfw h LEU 73 Cb 0.69 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1hfw h LEU 73 CO 0.05 0.21 0.34 -1.28 -0.34 0.00 0.00 178.44 177.43 1hfw h SER 74 N -0.08 0.47 -0.70 1.25 0.87 -0.91 -0.55 113.55 113.90 1hfw h SER 74 Ca 0.02 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1hfw h SER 74 Cb 0.17 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1hfw h SER 74 CO -0.00 0.28 0.25 1.56 -0.53 0.00 0.00 176.83 178.39 1hfw h GLN 75 N 0.61 1.07 -0.38 2.24 4.20 -1.18 -1.64 115.11 120.02 1hfw h GLN 75 Ca 0.32 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1hfw h GLN 75 Cb 0.29 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1hfw h GLN 75 CO -0.24 0.90 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.58 1hfw h ARG 76 N 1.01 0.70 -0.40 1.46 9.65 -0.40 -2.26 114.38 124.14 1hfw h ARG 76 Ca 0.23 -0.24 -0.15 0.00 -1.10 0.00 0.00 59.98 58.72 1hfw h ARG 76 Cb 0.26 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 1hfw h ARG 76 CO -0.01 0.82 -0.32 0.28 2.80 0.00 0.00 179.97 183.53 1hfw h VAL 77 N 0.63 1.27 -0.51 0.20 2.07 -0.87 -2.09 116.25 116.96 1hfw h VAL 77 Ca 0.10 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.11 1hfw h VAL 77 Cb 0.62 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1hfw h VAL 77 CO 0.04 0.50 0.24 0.78 0.02 0.00 0.00 177.57 179.16 1hfw h ASN 78 N 0.75 0.63 0.07 0.57 2.35 -1.12 -0.86 115.58 117.96 1hfw h ASN 78 Ca 0.07 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1hfw h ASN 78 Cb 0.91 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1hfw h ASN 78 CO 0.08 0.54 -0.03 -0.33 -1.65 0.00 0.00 177.43 176.04 1hfw h GLU 79 N 0.71 -0.09 -0.52 0.81 5.08 -1.15 -2.76 114.58 116.67 1hfw h GLU 79 Ca 0.18 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 1hfw h GLU 79 Cb 0.08 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1hfw h GLU 79 CO -0.02 0.13 0.26 -0.07 -1.00 0.00 0.00 179.01 178.30 1hfw h LEU 80 N -0.29 0.67 -1.21 1.33 3.38 -1.07 -2.65 115.31 115.47 1hfw h LEU 80 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1hfw h LEU 80 Cb 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1hfw h LEU 80 CO 0.02 0.60 0.00 -0.07 0.09 0.00 0.00 178.44 179.08 1hfw h LEU 81 N 0.70 0.00 -0.33 1.67 4.07 -1.17 -2.03 115.31 118.21 1hfw h LEU 81 Ca 0.18 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.08 1hfw h LEU 81 Cb 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 1hfw h LEU 81 CO -0.02 0.00 -0.28 0.00 -1.08 0.00 0.00 178.44 177.06 1hfw h ALA 82 N 2.13 0.86 -2.82 1.53 0.00 -1.16 -3.45 119.26 116.35 1hfw h ALA 82 Ca 0.00 -0.25 -0.52 0.00 0.00 0.00 0.00 54.91 54.14 1hfw h ALA 82 Cb 0.29 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.10 1hfw h ALA 82 CO 0.00 0.35 0.57 1.03 0.00 0.00 0.00 179.25 181.20 1hfw s ARG 83 N -3.22 4.16 0.33 0.00 0.52 -0.76 -4.93 118.95 115.05 1hfw s ARG 83 Ca 0.04 2.02 0.26 0.00 -0.52 0.00 0.00 55.73 57.53 1hfw s ARG 83 Cb 0.08 -2.85 0.75 0.00 0.52 0.00 0.00 34.95 33.44 1hfw s ARG 83 CO 0.69 -0.28 1.74 -0.44 0.02 0.00 0.00 175.30 177.03 1hfw h ASP 84 N 2.95 0.00 -0.49 0.23 5.19 -1.87 -3.17 116.42 119.26 1hfw h ASP 84 Ca -0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1hfw h ASP 84 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 1hfw h ASP 84 CO 0.64 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.86 1hfw n ASP 85 N -2.61 4.53 -3.91 6.45 5.75 -1.26 -4.82 116.55 120.68 1hfw n ASP 85 Ca 0.04 -2.61 -0.28 0.00 -0.01 0.00 0.00 54.79 51.93 1hfw n ASP 85 Cb 0.42 -0.61 -0.17 0.00 -1.03 0.00 0.00 41.12 39.74 1hfw n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1hfw s VAL 86 N -2.20 1.11 -0.08 2.12 1.01 -1.20 -4.78 120.40 116.39 1hfw s VAL 86 Ca 0.43 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1hfw s VAL 86 Cb 0.31 -1.17 -0.24 0.00 0.00 0.00 0.00 36.38 35.28 1hfw s VAL 86 CO 0.15 0.30 0.51 0.47 0.00 0.00 0.00 175.10 176.53 1hfw n ASP 87 N 4.90 1.39 -3.79 3.32 8.00 -0.37 -4.88 116.55 125.11 1hfw n ASP 87 Ca -0.13 0.31 -0.05 0.00 0.71 0.00 0.00 54.79 55.63 1hfw n ASP 87 Cb 0.49 -0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1hfw n ASP 87 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1hfw s GLY 88 N -5.34 -0.18 -0.02 0.44 0.00 -1.19 -4.22 107.32 96.80 1hfw s GLY 88 Ca -0.13 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.58 1hfw s GLY 88 CO 0.80 -0.03 -0.08 0.14 0.00 0.00 0.00 173.10 173.93 1hfw s VAL 89 N -3.53 0.67 -0.10 1.40 1.01 -0.29 -2.50 120.40 117.06 1hfw s VAL 89 Ca 0.12 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1hfw s VAL 89 Cb -0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.73 1hfw s VAL 89 CO 0.04 0.21 -0.17 -0.69 0.00 0.00 0.00 175.10 174.49 1hfw s VAL 90 N 0.17 2.69 -0.20 2.92 1.01 -0.48 -0.60 120.40 125.92 1hfw s VAL 90 Ca -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1hfw s VAL 90 Cb -0.07 -2.08 0.03 0.00 0.00 0.00 0.00 36.38 34.25 1hfw s VAL 90 CO 0.00 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.85 1hfw s ILE 91 N 0.11 2.05 0.12 2.22 1.01 0.69 -0.38 121.20 127.03 1hfw s ILE 91 Ca -0.08 -1.08 -0.27 0.00 0.00 0.00 0.00 60.65 59.22 1hfw s ILE 91 Cb -0.15 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.32 1hfw s ILE 91 CO 0.05 0.40 0.83 0.42 0.00 0.00 0.00 174.94 176.64 1hfw s THR 92 N 1.26 4.47 0.14 2.92 -4.23 -1.01 -0.87 115.64 118.33 1hfw s THR 92 Ca 0.02 1.80 -0.16 0.00 -1.18 0.00 0.00 61.69 62.17 1hfw s THR 92 Cb -0.15 -4.19 0.03 0.00 1.34 0.00 0.00 72.50 69.53 1hfw s THR 92 CO -0.11 0.43 0.42 -2.28 -0.54 0.00 0.00 174.62 172.54 1hfw s HIS 93 N -0.57 -0.13 0.53 3.99 5.04 -0.81 -2.46 115.29 120.87 1hfw s HIS 93 Ca 0.39 -0.20 -0.18 0.00 -1.54 0.00 0.00 55.06 53.54 1hfw s HIS 93 Cb -0.23 0.26 -0.07 0.00 0.04 0.00 0.00 32.58 32.59 1hfw s HIS 93 CO 0.27 -0.75 1.02 0.20 -2.34 0.00 0.00 174.74 173.14 1hfw s GLY 94 N -2.83 2.25 0.20 1.59 0.00 -1.26 -4.39 107.32 102.88 1hfw s GLY 94 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.19 1hfw s GLY 94 CO -0.09 0.72 1.50 -0.91 0.00 0.00 0.00 173.10 174.32 1hfw h THR 95 N 1.03 1.37 -0.78 0.90 1.35 -1.95 -3.20 112.91 111.62 1hfw h THR 95 Ca -0.48 -1.98 0.16 0.00 -0.55 0.00 0.00 66.41 63.56 1hfw h THR 95 Cb 1.21 1.98 -0.10 0.00 -1.73 0.00 0.00 68.15 69.50 1hfw h THR 95 CO 0.59 0.60 0.30 0.44 -0.25 0.00 0.00 175.52 177.20 1hfw h ASP 96 N 0.28 0.26 0.00 5.36 3.32 -1.94 -3.12 116.42 120.58 1hfw h ASP 96 Ca -0.01 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1hfw h ASP 96 Cb 1.17 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1hfw h ASP 96 CO 0.11 0.07 -0.08 0.35 -1.72 0.00 0.00 179.24 177.96 1hfw n THR 97 N -5.03 1.54 0.27 0.35 -2.24 -1.26 -4.77 114.28 103.13 1hfw n THR 97 Ca 0.16 -1.84 0.11 0.00 -2.27 0.00 0.00 64.05 60.20 1hfw n THR 97 Cb 0.47 -0.09 0.72 0.00 -2.10 0.00 0.00 70.33 69.33 1hfw n THR 97 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1hfw h VAL 98 N 1.20 0.81 0.00 2.28 3.04 -1.53 -1.32 116.25 120.72 1hfw h VAL 98 Ca 0.00 -0.20 -0.06 0.00 -1.01 0.00 0.00 66.70 65.44 1hfw h VAL 98 Cb 1.05 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 31.44 1hfw h VAL 98 CO 0.00 0.05 -0.27 1.05 -1.01 0.00 0.00 177.57 177.39 1hfw h GLU 99 N 0.00 0.00 0.07 4.17 4.11 -1.86 0.05 114.58 121.12 1hfw h GLU 99 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1hfw h GLU 99 Cb 0.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1hfw h GLU 99 CO 0.01 0.27 -0.50 0.93 0.07 0.00 0.00 179.01 179.79 1hfw h GLU 100 N 0.00 0.22 -0.42 1.06 5.08 -1.60 -2.96 114.58 115.96 1hfw h GLU 100 Ca -0.00 -0.33 -0.15 0.00 -1.00 0.00 0.00 59.36 57.88 1hfw h GLU 100 Cb 0.73 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1hfw h GLU 100 CO 0.04 1.12 -0.32 0.77 -1.00 0.00 0.00 179.01 179.62 1hfw h SER 101 N -0.52 1.01 -0.66 1.42 0.02 -1.40 -2.71 113.55 110.71 1hfw h SER 101 Ca -0.08 -0.44 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 1hfw h SER 101 Cb 1.35 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1hfw h SER 101 CO 0.10 1.23 0.28 0.00 -1.14 0.00 0.00 176.83 177.30 1hfw h ALA 102 N 0.81 0.85 -0.01 3.77 0.00 -1.12 -2.61 119.26 120.95 1hfw h ALA 102 Ca 0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1hfw h ALA 102 Cb 0.91 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1hfw h ALA 102 CO 0.08 0.44 -0.50 -0.92 0.00 0.00 0.00 179.25 178.36 1hfw h TYR 103 N 0.92 0.02 -0.04 0.00 3.20 -1.50 -1.16 116.97 118.41 1hfw h TYR 103 Ca 0.22 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1hfw h TYR 103 Cb 0.17 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1hfw h TYR 103 CO 0.01 0.51 0.01 0.35 -1.64 0.00 0.00 178.16 177.40 1hfw h PHE 104 N 0.02 0.06 0.00 -3.82 3.04 -1.14 -2.55 116.94 112.54 1hfw h PHE 104 Ca -0.00 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 1hfw h PHE 104 Cb 0.89 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 1hfw h PHE 104 CO 0.00 0.25 -0.38 -0.07 -2.02 0.00 0.00 178.31 176.09 1hfw h LEU 105 N -0.15 0.00 -1.41 0.59 4.07 -1.40 -2.20 115.31 114.81 1hfw h LEU 105 Ca 0.01 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.00 1hfw h LEU 105 Cb 0.22 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.93 1hfw h LEU 105 CO -0.00 0.38 0.42 -0.74 -1.08 0.00 0.00 178.44 177.42 1hfw h HIS 106 N 0.00 0.74 0.00 1.13 2.76 -0.96 -0.17 115.15 118.66 1hfw h HIS 106 Ca -0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1hfw h HIS 106 Cb 0.76 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1hfw h HIS 106 CO 0.00 0.44 -0.89 1.28 -1.30 0.00 0.00 177.93 177.45 1hfw n LEU 107 N -4.46 0.64 -0.02 0.26 4.77 -0.98 -1.16 117.00 116.05 1hfw n LEU 107 Ca 0.08 0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1hfw n LEU 107 Cb 0.12 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1hfw n LEU 107 CO 0.35 0.00 0.03 0.35 -1.33 0.00 0.00 177.39 176.79 1hfw n THR 108 N -2.03 0.00 -2.72 -5.08 -2.24 -0.87 -4.49 114.28 96.86 1hfw n THR 108 Ca 0.02 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1hfw n THR 108 Cb 0.44 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1hfw n THR 108 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hfw s VAL 109 N -1.22 4.82 -1.02 2.28 1.01 -0.13 -4.77 120.40 121.37 1hfw s VAL 109 Ca 0.02 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 1hfw s VAL 109 Cb 0.03 -4.30 0.32 0.00 0.00 0.00 0.00 36.38 32.43 1hfw s VAL 109 CO 0.13 0.05 1.87 0.29 0.00 0.00 0.00 175.10 177.44 1hfw n LYS 110 N 4.70 5.18 -3.49 2.72 4.76 -1.26 -3.49 118.16 127.29 1hfw n LYS 110 Ca 0.07 -4.53 -0.15 0.00 -2.87 0.00 0.00 58.31 50.84 1hfw n LYS 110 Cb 0.49 -2.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.18 1hfw n LYS 110 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1hfw s SER 111 N -1.27 -0.59 0.00 4.39 0.15 -1.26 -4.88 113.70 110.24 1hfw s SER 111 Ca 0.41 0.42 0.26 0.00 0.70 0.00 0.00 55.95 57.73 1hfw s SER 111 Cb 0.21 0.53 0.62 0.00 -1.71 0.00 0.00 66.02 65.68 1hfw s SER 111 CO -0.16 -0.71 1.48 0.47 1.20 0.00 0.00 173.24 175.52 1hfw n ASP 112 N 0.40 1.17 -4.77 5.45 8.00 -1.26 -4.41 116.55 121.14 1hfw n ASP 112 Ca -0.17 -0.98 -0.38 0.00 0.71 0.00 0.00 54.79 53.97 1hfw n ASP 112 Cb 0.60 0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.90 1hfw n ASP 112 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1hfw s LYS 113 N -2.51 3.80 0.17 -1.24 1.02 -1.26 -1.46 119.74 118.25 1hfw s LYS 113 Ca 0.23 1.91 -0.32 0.00 0.02 0.00 0.00 55.97 57.81 1hfw s LYS 113 Cb 0.19 -2.52 -0.11 0.00 -0.52 0.00 0.00 37.83 34.87 1hfw s LYS 113 CO 0.54 -0.55 1.71 -2.14 -0.92 0.00 0.00 175.35 173.98 1hfw s PRO 114 N -2.54 4.15 -0.25 -1.68 0.02 -1.26 -4.87 135.00 128.58 1hfw s PRO 114 Ca 0.62 2.52 0.03 0.00 0.02 0.00 0.00 61.00 64.19 1hfw s PRO 114 Cb -0.32 -3.26 0.05 0.00 0.02 0.00 0.00 34.50 31.00 1hfw s PRO 114 CO 0.40 -0.74 -0.12 0.08 -0.33 0.00 0.00 177.00 176.29 1hfw s VAL 115 N 1.65 2.11 -0.17 3.83 1.01 -1.26 -1.13 120.40 126.43 1hfw s VAL 115 Ca 0.75 -1.51 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1hfw s VAL 115 Cb -0.47 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 33.74 1hfw s VAL 115 CO 0.33 0.05 -0.17 -0.69 0.00 0.00 0.00 175.10 174.62 1hfw s VAL 116 N 1.15 2.38 0.02 2.92 1.01 0.23 -2.31 120.40 125.80 1hfw s VAL 116 Ca -0.07 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.90 1hfw s VAL 116 Cb -0.19 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.12 1hfw s VAL 116 CO -0.06 0.52 0.48 -0.36 0.00 0.00 0.00 175.10 175.68 1hfw s PHE 117 N 1.15 3.75 0.03 5.22 0.40 0.05 -0.22 117.98 128.36 1hfw s PHE 117 Ca 0.01 1.11 0.02 0.00 -0.60 0.00 0.00 56.93 57.47 1hfw s PHE 117 Cb -0.14 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 40.97 1hfw s PHE 117 CO -0.07 0.59 -0.07 0.54 0.70 0.00 0.00 175.22 176.91 1hfw s VAL 118 N -0.97 0.50 0.29 -0.44 0.11 -0.05 -1.10 120.40 118.73 1hfw s VAL 118 Ca 0.26 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.50 1hfw s VAL 118 Cb -0.18 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.16 1hfw s VAL 118 CO 0.16 -0.22 0.41 0.00 -3.33 0.00 0.00 175.10 172.12 1hfw n ALA 119 N 1.95 -0.31 -3.20 1.54 0.00 -1.26 -1.93 120.51 117.31 1hfw n ALA 119 Ca -0.20 -1.33 -0.13 0.00 0.00 0.00 0.00 53.44 51.78 1hfw n ALA 119 Cb 0.56 1.07 -0.11 0.00 0.00 0.00 0.00 19.45 20.97 1hfw n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hfw s ALA 120 N -2.55 -0.75 -0.49 0.00 0.00 -1.26 -4.79 121.76 111.90 1hfw s ALA 120 Ca 0.24 0.87 0.23 0.00 0.00 0.00 0.00 51.96 53.30 1hfw s ALA 120 Cb -0.01 -0.51 0.18 0.00 0.00 0.00 0.00 23.12 22.78 1hfw s ALA 120 CO 0.17 -0.15 1.18 0.52 0.00 0.00 0.00 175.76 177.48 1hfw h MET 121 N 5.69 0.00 -6.53 0.00 2.86 -1.93 -3.43 114.93 111.59 1hfw h MET 121 Ca -0.26 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.68 1hfw h MET 121 Cb 1.19 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.56 1hfw h MET 121 CO 0.32 0.00 -0.87 1.03 1.06 0.00 0.00 176.91 178.44 1hfw s ARG 122 N -3.24 2.20 0.65 1.72 0.52 -1.26 -5.02 118.95 114.51 1hfw s ARG 122 Ca 0.03 -0.89 -0.18 0.00 -0.52 0.00 0.00 55.73 54.17 1hfw s ARG 122 Cb 0.12 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.48 1hfw s ARG 122 CO 0.76 0.56 1.28 -1.25 0.02 0.00 0.00 175.30 176.66 1hfw s PRO 123 N -0.60 2.56 0.64 3.54 0.04 -1.26 -4.56 135.00 135.35 1hfw s PRO 123 Ca 0.09 2.01 0.32 0.00 0.04 0.00 0.00 61.00 63.47 1hfw s PRO 123 Cb -0.10 -1.85 1.77 0.00 0.04 0.00 0.00 34.50 34.35 1hfw s PRO 123 CO -0.01 -1.57 2.05 0.00 0.04 0.00 0.00 177.00 177.51 1hfw h ALA 124 N 0.51 1.51 0.00 8.56 0.00 -1.78 -0.23 119.26 127.84 1hfw h ALA 124 Ca -0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1hfw h ALA 124 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1hfw h ALA 124 CO 0.53 -0.31 -0.53 0.25 0.00 0.00 0.00 179.25 179.19 1hfw n THR 125 N -3.28 0.15 -1.26 0.00 -2.24 -1.26 -4.91 114.28 101.48 1hfw n THR 125 Ca 0.00 -0.12 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 1hfw n THR 125 Cb 0.34 0.04 0.09 0.00 -2.10 0.00 0.00 70.33 68.71 1hfw n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hfw s ALA 126 N -3.07 2.24 0.15 6.98 0.00 -0.10 -5.00 121.76 122.96 1hfw s ALA 126 Ca 0.09 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1hfw s ALA 126 Cb 0.16 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 1hfw s ALA 126 CO 0.70 -1.78 1.10 0.42 0.00 0.00 0.00 175.76 176.20 1hfw s ILE 127 N -2.89 3.96 -1.26 0.00 1.01 -1.26 -3.27 121.20 117.49 1hfw s ILE 127 Ca 0.61 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.87 1hfw s ILE 127 Cb -0.17 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1hfw s ILE 127 CO 0.56 0.25 1.07 -1.20 0.00 0.00 0.00 174.94 175.62 1hfw n SER 128 N 2.65 -3.69 -4.77 3.58 7.64 -1.26 -4.94 113.62 112.83 1hfw n SER 128 Ca 0.04 -0.59 -0.41 0.00 1.01 0.00 0.00 58.87 58.91 1hfw n SER 128 Cb 0.47 -5.07 -0.02 0.00 -1.01 0.00 0.00 64.21 58.57 1hfw n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hfw s ALA 129 N -3.35 3.52 -0.66 -0.43 0.00 -1.20 -4.94 121.76 114.69 1hfw s ALA 129 Ca 0.23 1.32 0.24 0.00 0.00 0.00 0.00 51.96 53.74 1hfw s ALA 129 Cb -0.10 -3.51 0.25 0.00 0.00 0.00 0.00 23.12 19.76 1hfw s ALA 129 CO 0.73 -0.72 1.22 -0.40 0.00 0.00 0.00 175.76 176.59 1hfw n ASP 130 N 0.85 0.65 -0.07 0.00 5.75 -1.26 -4.47 116.55 117.99 1hfw n ASP 130 Ca 0.01 -0.04 -0.07 0.00 -0.01 0.00 0.00 54.79 54.68 1hfw n ASP 130 Cb 0.41 0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 40.90 1hfw n ASP 130 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1hfw h GLY 131 N 4.57 0.17 0.18 6.12 0.00 -1.87 -2.00 103.07 110.24 1hfw h GLY 131 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.51 1hfw h GLY 131 CO 0.00 -0.12 -0.20 -2.55 0.00 0.00 0.00 176.54 173.67 1hfw h PRO 132 N -0.03 -0.17 -0.51 4.80 0.11 -1.93 -0.48 132.00 133.78 1hfw h PRO 132 Ca 0.14 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 1hfw h PRO 132 Cb 0.24 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1hfw h PRO 132 CO -0.30 -0.12 -0.01 1.98 -0.21 0.00 0.00 178.00 179.35 1hfw h MET 133 N -0.18 0.91 -0.87 1.05 1.85 -1.83 -2.49 114.93 113.37 1hfw h MET 133 Ca 0.15 -0.29 0.02 0.00 -0.61 0.00 0.00 59.70 58.97 1hfw h MET 133 Cb 0.41 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.31 1hfw h MET 133 CO -0.39 0.94 0.57 -0.91 -0.40 0.00 0.00 176.91 176.72 1hfw h ASN 134 N 0.77 0.97 -0.27 1.39 2.35 -0.93 -1.99 115.58 117.87 1hfw h ASN 134 Ca 0.14 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1hfw h ASN 134 Cb 0.53 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1hfw h ASN 134 CO 0.03 0.69 0.10 0.25 -1.65 0.00 0.00 177.43 176.85 1hfw h LEU 135 N 1.14 0.38 -0.85 1.61 5.85 -0.96 -0.63 115.31 121.86 1hfw h LEU 135 Ca 0.33 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1hfw h LEU 135 Cb -0.09 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1hfw h LEU 135 CO -0.09 0.46 0.55 -0.07 -0.34 0.00 0.00 178.44 178.95 1hfw h LEU 136 N 0.29 0.90 -0.64 2.25 4.07 -1.18 -1.13 115.31 119.87 1hfw h LEU 136 Ca 0.09 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.93 1hfw h LEU 136 Cb 0.20 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1hfw h LEU 136 CO -0.01 0.62 -0.21 -0.33 -1.08 0.00 0.00 178.44 177.43 1hfw h GLU 137 N 1.06 0.85 -0.66 1.13 5.08 -1.17 -2.24 114.58 118.63 1hfw h GLU 137 Ca 0.34 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1hfw h GLU 137 Cb 0.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1hfw h GLU 137 CO -0.12 0.98 0.35 0.00 -1.00 0.00 0.00 179.01 179.22 1hfw h ALA 138 N 1.02 0.84 -0.47 3.43 0.00 -0.37 -0.75 119.26 122.97 1hfw h ALA 138 Ca 0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1hfw h ALA 138 Cb 0.74 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1hfw h ALA 138 CO 0.06 0.37 -0.09 0.28 0.00 0.00 0.00 179.25 179.87 1hfw h VAL 139 N 0.90 1.27 -0.75 0.00 2.07 -1.10 -1.43 116.25 117.20 1hfw h VAL 139 Ca 0.23 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1hfw h VAL 139 Cb 0.05 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1hfw h VAL 139 CO -0.04 0.42 0.34 -0.09 0.02 0.00 0.00 177.57 178.22 1hfw h ARG 140 N 0.74 1.10 -0.18 1.57 2.43 -1.15 -1.68 114.38 117.21 1hfw h ARG 140 Ca 0.12 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1hfw h ARG 140 Cb 0.63 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1hfw h ARG 140 CO 0.04 0.88 0.01 0.28 -1.51 0.00 0.00 179.97 179.67 1hfw h VAL 141 N 1.07 1.24 0.00 0.20 2.07 -0.97 -2.86 116.25 117.00 1hfw h VAL 141 Ca 0.25 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1hfw h VAL 141 Cb 0.16 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1hfw h VAL 141 CO -0.03 0.24 -0.16 0.00 0.02 0.00 0.00 177.57 177.64 1hfw h ALA 142 N 0.79 1.57 -0.00 1.67 0.00 -1.08 -2.94 119.26 119.27 1hfw h ALA 142 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1hfw h ALA 142 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hfw h ALA 142 CO 0.01 0.21 -0.37 0.41 0.00 0.00 0.00 179.25 179.50 1hfw n GLY 143 N -0.93 -0.85 3.74 0.00 0.00 -0.65 -4.56 105.19 101.95 1hfw n GLY 143 Ca -0.02 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1hfw n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hfw s ASP 144 N -2.70 7.22 0.58 1.61 -1.08 -1.09 -4.87 116.67 116.34 1hfw s ASP 144 Ca 0.19 1.46 0.30 0.00 -0.52 0.00 0.00 52.55 53.98 1hfw s ASP 144 Cb 0.18 -2.48 1.76 0.00 -1.46 0.00 0.00 42.92 40.92 1hfw s ASP 144 CO 0.60 -0.03 2.21 0.07 0.52 0.00 0.00 175.17 178.54 1hfw h LYS 145 N 5.87 0.00 0.00 4.34 5.09 -1.90 -1.94 116.57 128.03 1hfw h LYS 145 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.29 1hfw h LYS 145 Cb 1.21 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.53 1hfw h LYS 145 CO 0.72 0.04 -0.10 1.96 -2.09 0.00 0.00 179.45 179.97 1hfw h GLN 146 N 0.00 0.00 0.00 0.07 4.20 -1.93 -3.21 115.11 114.25 1hfw h GLN 146 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1hfw h GLN 146 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1hfw h GLN 146 CO 0.00 0.10 0.00 0.43 -0.67 0.00 0.00 178.83 178.70 1hfw n SER 147 N -3.33 0.45 -4.75 1.46 7.64 -0.73 -4.90 113.62 109.46 1hfw n SER 147 Ca -0.01 0.57 -0.35 0.00 1.01 0.00 0.00 58.87 60.10 1hfw n SER 147 Cb 0.31 -0.68 0.05 0.00 -1.01 0.00 0.00 64.21 62.87 1hfw n SER 147 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hfw s ARG 148 N -3.12 2.78 -1.85 1.43 0.52 -1.21 -3.68 118.95 113.82 1hfw s ARG 148 Ca 0.09 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 57.03 1hfw s ARG 148 Cb 0.12 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1hfw s ARG 148 CO 0.46 -1.33 0.00 0.41 0.02 0.00 0.00 175.30 174.86 1hfw n GLY 149 N 0.30 1.14 0.72 -3.53 0.00 -0.53 -4.89 105.19 98.38 1hfw n GLY 149 Ca 0.13 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1hfw n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfw n ARG 150 N -2.56 1.55 0.00 1.61 1.74 -1.24 -5.07 116.66 112.69 1hfw n ARG 150 Ca -0.20 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 1hfw n ARG 150 Cb 0.63 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1hfw n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hfw n GLY 151 N 0.97 -3.07 3.76 -0.13 0.00 -1.26 -4.82 105.19 100.64 1hfw n GLY 151 Ca 0.11 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1hfw n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfw s VAL 152 N -0.87 3.61 0.19 1.61 1.01 -1.26 -4.68 120.40 120.01 1hfw s VAL 152 Ca 0.00 1.59 0.09 0.00 0.00 0.00 0.00 61.98 63.66 1hfw s VAL 152 Cb 0.00 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1hfw s VAL 152 CO 0.00 0.35 -0.18 -0.04 0.00 0.00 0.00 175.10 175.23 1hfw s MET 153 N -1.49 1.37 -0.17 2.72 1.00 -0.98 -2.01 119.30 119.75 1hfw s MET 153 Ca 0.45 -1.52 0.01 0.00 0.00 0.00 0.00 55.69 54.63 1hfw s MET 153 Cb -0.30 -1.39 0.03 0.00 0.00 0.00 0.00 34.83 33.17 1hfw s MET 153 CO 0.38 0.27 -0.15 0.08 0.00 0.00 0.00 175.02 175.60 1hfw s VAL 154 N -2.32 1.72 -0.17 -6.03 1.01 -0.17 -0.77 120.40 113.67 1hfw s VAL 154 Ca 0.20 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1hfw s VAL 154 Cb -0.05 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1hfw s VAL 154 CO 0.08 0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 174.88 1hfw s VAL 155 N 1.42 3.76 -0.28 2.92 1.01 -0.26 -1.54 120.40 127.42 1hfw s VAL 155 Ca 0.04 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.36 1hfw s VAL 155 Cb -0.13 -2.66 0.17 0.00 0.00 0.00 0.00 36.38 33.76 1hfw s VAL 155 CO -0.11 0.48 1.29 -0.51 0.00 0.00 0.00 175.10 176.25 1hfw s ILE 156 N 0.60 0.00 -1.39 2.22 2.07 -1.04 -4.14 121.20 119.53 1hfw s ILE 156 Ca -0.03 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.13 1hfw s ILE 156 Cb -0.14 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.48 1hfw s ILE 156 CO 0.03 0.00 1.07 -3.20 -1.91 0.00 0.00 174.94 170.92 1hfw n ASN 157 N 1.52 -4.98 0.00 4.50 5.15 -1.26 -2.03 115.26 118.16 1hfw n ASN 157 Ca -0.09 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.24 1hfw n ASN 157 Cb 0.57 -4.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.18 1hfw n ASN 157 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1hfw n ASP 158 N -2.98 -2.05 -4.66 1.20 8.00 -1.26 -5.00 116.55 109.80 1hfw n ASP 158 Ca -0.04 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.20 1hfw n ASP 158 Cb 0.57 -1.60 -0.08 0.00 -0.02 0.00 0.00 41.12 40.00 1hfw n ASP 158 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hfw s ARG 159 N -0.73 2.38 -0.24 -1.24 1.81 -0.86 -0.89 118.95 119.17 1hfw s ARG 159 Ca 0.00 -1.17 0.02 0.00 -1.72 0.00 0.00 55.73 52.86 1hfw s ARG 159 Cb 0.00 -2.32 0.06 0.00 -0.45 0.00 0.00 34.95 32.24 1hfw s ARG 159 CO 0.00 0.44 -0.09 0.42 -0.68 0.00 0.00 175.30 175.38 1hfw s ILE 160 N -1.83 1.85 0.18 1.52 1.01 -0.40 -2.48 121.20 121.04 1hfw s ILE 160 Ca 0.28 -1.35 0.09 0.00 0.00 0.00 0.00 60.65 59.67 1hfw s ILE 160 Cb -0.09 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1hfw s ILE 160 CO 0.19 0.01 -0.09 -0.83 0.00 0.00 0.00 174.94 174.21 1hfw s GLY 161 N 1.26 1.73 0.12 6.18 0.00 -0.59 0.09 107.32 116.12 1hfw s GLY 161 Ca -0.06 -1.46 -0.24 0.00 0.00 0.00 0.00 44.72 42.96 1hfw s GLY 161 CO -0.06 -1.48 0.74 -0.45 0.00 0.00 0.00 173.10 171.85 1hfw s SER 162 N -2.81 7.29 0.45 1.64 0.15 -1.26 -1.00 113.70 118.16 1hfw s SER 162 Ca 0.25 1.53 0.18 0.00 0.70 0.00 0.00 55.95 58.61 1hfw s SER 162 Cb -0.09 -2.47 1.13 0.00 -1.71 0.00 0.00 66.02 62.88 1hfw s SER 162 CO 0.15 0.17 1.95 0.00 1.20 0.00 0.00 173.24 176.71 1hfw h ALA 163 N 4.71 2.19 -0.02 5.45 0.00 -1.75 0.16 119.26 130.00 1hfw h ALA 163 Ca -0.47 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 1hfw h ALA 163 Cb 1.21 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1hfw h ALA 163 CO 0.67 -0.37 -0.44 -0.09 0.00 0.00 0.00 179.25 179.03 1hfw h ARG 164 N 0.31 0.05 0.00 0.00 9.65 -1.93 -3.37 114.38 119.09 1hfw h ARG 164 Ca 0.32 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 59.03 1hfw h ARG 164 Cb 0.83 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 1hfw h ARG 164 CO -0.08 0.48 -1.57 0.66 2.80 0.00 0.00 179.97 182.26 1hfw n TYR 165 N -4.02 0.00 -2.05 2.20 4.01 -0.58 -4.98 117.16 111.73 1hfw n TYR 165 Ca -0.02 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 1hfw n TYR 165 Cb 0.47 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 39.08 1hfw n TYR 165 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1hfw s ILE 166 N -2.20 2.60 0.05 -0.72 1.10 0.46 -4.65 121.20 117.84 1hfw s ILE 166 Ca -0.05 0.57 -0.19 0.00 -0.51 0.00 0.00 60.65 60.47 1hfw s ILE 166 Cb 0.03 -3.34 0.04 0.00 0.15 0.00 0.00 42.46 39.33 1hfw s ILE 166 CO 0.33 0.10 0.43 0.28 -2.11 0.00 0.00 174.94 173.97 1hfw s THR 167 N -1.22 0.05 -0.37 4.00 -1.32 -1.17 -4.89 115.64 110.73 1hfw s THR 167 Ca 0.54 -0.42 -0.28 0.00 -1.21 0.00 0.00 61.69 60.32 1hfw s THR 167 Cb -0.39 -0.97 0.02 0.00 -1.51 0.00 0.00 72.50 69.65 1hfw s THR 167 CO 0.51 -0.23 1.04 -0.75 -2.21 0.00 0.00 174.62 172.98 1hfw s LYS 168 N -2.58 3.91 0.01 7.08 2.20 -1.26 -2.82 119.74 126.28 1hfw s LYS 168 Ca -0.05 0.78 0.22 0.00 -0.36 0.00 0.00 55.97 56.57 1hfw s LYS 168 Cb -0.01 -3.80 -0.23 0.00 -1.51 0.00 0.00 37.83 32.29 1hfw s LYS 168 CO -0.03 -1.03 0.70 0.25 -0.36 0.00 0.00 175.35 174.88 1hfw n THR 169 N 6.13 0.08 -4.63 3.43 -2.24 -0.56 -4.94 114.28 111.55 1hfw n THR 169 Ca 0.10 -0.36 -0.23 0.00 -2.27 0.00 0.00 64.05 61.30 1hfw n THR 169 Cb 0.48 0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.77 1hfw n THR 169 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1hfw s ASN 170 N -4.18 1.78 0.30 3.42 3.84 -1.25 -5.05 114.94 113.79 1hfw s ASN 170 Ca -0.02 -0.32 0.02 0.00 0.21 0.00 0.00 52.86 52.74 1hfw s ASN 170 Cb 0.14 -0.18 0.47 0.00 -0.55 0.00 0.00 41.25 41.13 1hfw s ASN 170 CO 0.87 0.15 1.81 0.00 -2.79 0.00 0.00 177.10 177.15 1hfw h ALA 171 N 5.56 1.23 0.00 1.71 0.00 -1.97 -3.40 119.26 122.39 1hfw h ALA 171 Ca -0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1hfw h ALA 171 Cb 1.16 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1hfw h ALA 171 CO 0.48 0.51 0.00 0.43 0.00 0.00 0.00 179.25 180.66 1hfw n SER 172 N -4.23 0.27 -4.94 0.00 7.64 -1.26 -5.11 113.62 105.98 1hfw n SER 172 Ca 0.02 -1.12 -0.26 0.00 1.01 0.00 0.00 58.87 58.52 1hfw n SER 172 Cb 0.29 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1hfw n SER 172 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hfw s THR 173 N -0.12 5.18 0.29 0.44 -4.23 -1.26 -5.01 115.64 110.92 1hfw s THR 173 Ca 0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1hfw s THR 173 Cb 0.00 -3.78 0.13 0.00 1.34 0.00 0.00 72.50 70.18 1hfw s THR 173 CO 0.00 -0.30 1.80 -0.07 -0.54 0.00 0.00 174.62 175.51 1hfw h LEU 174 N 1.55 0.65 -3.08 4.79 3.38 -1.97 -2.89 115.31 117.74 1hfw h LEU 174 Ca -0.49 -0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.07 1hfw h LEU 174 Cb 1.20 -0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 1hfw h LEU 174 CO 0.65 0.73 0.33 -0.90 0.09 0.00 0.00 178.44 179.34 1hfw n ASP 175 N -4.23 3.50 -0.11 -0.43 5.75 -1.26 -4.61 116.55 115.17 1hfw n ASP 175 Ca 0.02 -2.89 0.00 0.00 -0.01 0.00 0.00 54.79 51.91 1hfw n ASP 175 Cb 0.29 -0.69 0.28 0.00 -1.03 0.00 0.00 41.12 39.97 1hfw n ASP 175 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hfw h THR 176 N 0.87 1.18 -3.18 2.12 1.03 -1.84 -3.43 112.91 109.67 1hfw h THR 176 Ca 0.32 -0.50 -0.57 0.00 -0.01 0.00 0.00 66.41 65.64 1hfw h THR 176 Cb 2.00 0.48 -0.06 0.00 -1.07 0.00 0.00 68.15 69.50 1hfw h THR 176 CO 0.60 0.21 0.84 -0.36 -0.01 0.00 0.00 175.52 176.80 1hfw s PHE 177 N -5.45 3.15 0.15 0.00 0.08 -1.26 -1.50 117.98 113.15 1hfw s PHE 177 Ca -0.09 1.25 -0.11 0.00 0.12 0.00 0.00 56.93 58.09 1hfw s PHE 177 Cb 0.17 -3.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.08 1hfw s PHE 177 CO 0.77 -0.83 0.33 1.03 -0.10 0.00 0.00 175.22 176.42 1hfw s ARG 178 N 3.52 1.12 -0.47 0.44 0.52 -1.13 -4.97 118.95 117.98 1hfw s ARG 178 Ca 0.47 -1.00 0.04 0.00 -0.52 0.00 0.00 55.73 54.71 1hfw s ARG 178 Cb -0.14 0.41 0.16 0.00 0.52 0.00 0.00 34.95 35.90 1hfw s ARG 178 CO 0.12 -0.42 0.35 0.00 0.02 0.00 0.00 175.30 175.38 1hfw s ALA 179 N -3.90 1.96 0.25 2.13 0.00 -1.26 -3.03 121.76 117.90 1hfw s ALA 179 Ca 0.11 -2.72 -0.11 0.00 0.00 0.00 0.00 51.96 49.25 1hfw s ALA 179 Cb 0.03 -1.75 0.35 0.00 0.00 0.00 0.00 23.12 21.75 1hfw s ALA 179 CO -0.05 -2.02 1.59 -0.91 0.00 0.00 0.00 175.76 174.37 1hfw h ASN 180 N 5.82 -0.81 0.82 0.00 2.35 -1.91 0.28 115.58 122.14 1hfw h ASN 180 Ca 0.19 0.25 -0.16 0.00 -0.55 0.00 0.00 56.30 56.04 1hfw h ASN 180 Cb 0.88 0.53 -0.03 0.00 0.05 0.00 0.00 38.32 39.75 1hfw h ASN 180 CO 0.45 -0.28 -1.27 -0.33 -1.65 0.00 0.00 177.43 174.35 1hfw h GLU 181 N -0.01 0.00 0.00 0.81 4.39 -1.98 -3.39 114.58 114.41 1hfw h GLU 181 Ca 0.40 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1hfw h GLU 181 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1hfw h GLU 181 CO -0.86 0.33 -1.41 0.39 -1.16 0.00 0.00 179.01 176.30 1hfw n GLU 182 N -2.95 0.32 -0.21 2.33 4.71 -0.95 -5.10 120.64 118.78 1hfw n GLU 182 Ca -0.08 -0.08 0.03 0.00 -0.01 0.00 0.00 57.16 57.02 1hfw n GLU 182 Cb 0.83 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.75 1hfw n GLU 182 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1hfw n GLY 183 N 1.40 -1.69 3.94 0.62 0.00 0.95 -4.90 105.19 105.50 1hfw n GLY 183 Ca 0.01 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 1hfw n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hfw s TYR 184 N -0.48 3.42 0.22 1.61 2.02 -1.26 -4.60 117.35 118.29 1hfw s TYR 184 Ca 0.00 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 1hfw s TYR 184 Cb 0.00 -1.60 0.21 0.00 -0.40 0.00 0.00 41.96 40.18 1hfw s TYR 184 CO 0.00 0.48 1.55 -0.07 -1.57 0.00 0.00 175.55 175.94 1hfw h LEU 185 N 1.66 0.42 0.00 -1.29 3.38 -0.65 -3.39 115.31 115.45 1hfw h LEU 185 Ca -0.50 -0.23 0.20 0.00 0.09 0.00 0.00 57.88 57.44 1hfw h LEU 185 Cb 1.21 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1hfw h LEU 185 CO 0.64 0.89 0.56 0.61 0.09 0.00 0.00 178.44 181.23 1hfw n GLY 186 N 0.20 0.51 3.07 0.83 0.00 -1.13 0.35 105.19 109.02 1hfw n GLY 186 Ca -0.03 -1.02 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 1hfw n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfw s VAL 187 N -2.11 0.20 -0.26 1.61 -7.23 -0.76 -1.27 120.40 110.57 1hfw s VAL 187 Ca 0.19 -1.61 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1hfw s VAL 187 Cb -0.01 -1.24 0.06 0.00 0.56 0.00 0.00 36.38 35.75 1hfw s VAL 187 CO 0.01 -0.89 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.18 1hfw s ILE 188 N -3.37 2.12 -0.04 -0.62 1.01 -0.07 -0.85 121.20 119.38 1hfw s ILE 188 Ca 0.02 -1.60 0.02 0.00 0.00 0.00 0.00 60.65 59.09 1hfw s ILE 188 Cb 0.04 -2.24 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1hfw s ILE 188 CO -0.08 -0.02 -0.09 -0.63 0.00 0.00 0.00 174.94 174.12 1hfw s ILE 189 N 1.12 0.82 -1.44 2.92 -1.09 -0.90 -4.77 121.20 117.86 1hfw s ILE 189 Ca -0.08 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 1hfw s ILE 189 Cb -0.20 -0.76 0.03 0.00 -1.58 0.00 0.00 42.46 39.95 1hfw s ILE 189 CO -0.05 0.27 0.99 0.61 -1.23 0.00 0.00 174.94 175.52 1hfw n GLY 190 N 3.64 -0.53 2.47 6.18 0.00 -1.26 -2.16 105.19 113.52 1hfw n GLY 190 Ca -0.22 0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1hfw n GLY 190 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hfw n ASN 191 N -2.84 -5.39 -4.16 1.61 3.02 -1.26 -4.99 115.26 101.25 1hfw n ASN 191 Ca -0.01 0.25 -0.23 0.00 -0.03 0.00 0.00 54.58 54.56 1hfw n ASN 191 Cb 0.57 -4.50 -0.14 0.00 -0.61 0.00 0.00 39.78 35.09 1hfw n ASN 191 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1hfw s ARG 192 N -4.23 1.16 -0.19 3.52 3.52 -0.92 -5.13 118.95 116.67 1hfw s ARG 192 Ca 0.00 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 54.75 1hfw s ARG 192 Cb 0.00 -1.17 -0.05 0.00 -1.56 0.00 0.00 34.95 32.17 1hfw s ARG 192 CO 0.00 0.31 0.23 0.42 -0.81 0.00 0.00 175.30 175.44 1hfw s ILE 193 N -0.66 5.34 -0.45 4.11 1.01 -1.26 -2.12 121.20 127.17 1hfw s ILE 193 Ca 0.05 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.07 1hfw s ILE 193 Cb -0.07 -3.57 0.12 0.00 0.01 0.00 0.00 42.46 38.95 1hfw s ILE 193 CO 0.01 0.38 0.23 -0.31 0.00 0.00 0.00 174.94 175.25 1hfw s TYR 194 N 0.63 3.55 0.13 3.97 1.51 -0.02 -5.00 117.35 122.11 1hfw s TYR 194 Ca 0.12 -2.68 -0.30 0.00 -1.01 0.00 0.00 57.07 53.20 1hfw s TYR 194 Cb -0.13 -3.12 -0.06 0.00 -0.11 0.00 0.00 41.96 38.54 1hfw s TYR 194 CO 0.02 -0.92 0.99 0.71 -1.11 0.00 0.00 175.55 175.25 1hfw s TYR 195 N 0.69 3.77 -0.09 2.71 2.02 -1.26 -1.83 117.35 123.36 1hfw s TYR 195 Ca 0.12 1.76 -0.01 0.00 -0.37 0.00 0.00 57.07 58.56 1hfw s TYR 195 Cb -0.22 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.19 1hfw s TYR 195 CO -0.04 0.03 -0.09 1.04 -1.57 0.00 0.00 175.55 174.91 1hfw n GLN 196 N 2.63 0.20 -4.31 -0.62 6.02 0.16 -4.95 117.38 116.51 1hfw n GLN 196 Ca 0.02 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.91 1hfw n GLN 196 Cb 0.48 -1.05 -0.10 0.00 1.02 0.00 0.00 30.24 30.59 1hfw n GLN 196 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1hfw s ASN 197 N -5.17 1.55 -0.06 1.08 0.01 -0.78 -5.04 114.94 106.53 1hfw s ASN 197 Ca -0.12 -1.24 0.01 0.00 -0.71 0.00 0.00 52.86 50.80 1hfw s ASN 197 Cb 0.04 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.78 1hfw s ASN 197 CO 0.18 -0.57 -0.06 -0.13 -1.51 0.00 0.00 177.10 175.01 1hfw s ARG 198 N -3.91 1.09 0.50 -0.60 0.52 -1.26 -4.78 118.95 110.51 1hfw s ARG 198 Ca 0.29 -0.16 -0.21 0.00 -0.52 0.00 0.00 55.73 55.12 1hfw s ARG 198 Cb 0.06 -1.10 -0.06 0.00 0.52 0.00 0.00 34.95 34.37 1hfw s ARG 198 CO 0.08 -0.12 1.17 0.96 0.02 0.00 0.00 175.30 177.42 1hfw s ILE 199 N 1.13 3.02 -0.88 1.52 -4.36 -1.26 -4.94 121.20 115.43 1hfw s ILE 199 Ca -0.07 0.71 -0.00 0.00 -0.26 0.00 0.00 60.65 61.02 1hfw s ILE 199 Cb -0.14 -3.33 0.34 0.00 1.25 0.00 0.00 42.46 40.58 1hfw s ILE 199 CO -0.01 -0.06 1.77 -0.67 0.24 0.00 0.00 174.94 176.21 1hfw n ASP 200 N -0.87 6.98 -4.10 4.36 2.03 -1.26 -4.95 116.55 118.74 1hfw n ASP 200 Ca 0.09 -3.75 -0.08 0.00 0.52 0.00 0.00 54.79 51.58 1hfw n ASP 200 Cb 0.49 -1.02 -0.10 0.00 -0.72 0.00 0.00 41.12 39.77 1hfw n ASP 200 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1hfw s LYS 201 N -4.10 0.69 0.39 -0.67 -0.14 -1.26 -5.05 119.74 109.60 1hfw s LYS 201 Ca 0.46 -1.27 -0.20 0.00 -1.36 0.00 0.00 55.97 53.59 1hfw s LYS 201 Cb 0.31 0.22 -0.10 0.00 -1.68 0.00 0.00 37.83 36.58 1hfw s LYS 201 CO -0.25 -0.15 0.90 -0.51 -0.76 0.00 0.00 175.35 174.59 1hfw s LEU 202 N -2.95 4.01 0.17 3.17 1.43 -0.60 -5.03 118.68 118.89 1hfw s LEU 202 Ca 0.11 1.62 -0.23 0.00 -1.03 0.00 0.00 54.13 54.60 1hfw s LEU 202 Cb 0.08 -4.38 0.07 0.00 0.03 0.00 0.00 46.19 41.99 1hfw s LEU 202 CO -0.07 -0.29 1.03 -1.38 0.23 0.00 0.00 176.35 175.86 1hfw s HIS 203 N -2.07 0.01 0.00 0.29 -3.43 -1.26 -4.70 115.29 104.13 1hfw s HIS 203 Ca 0.59 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 1hfw s HIS 203 Cb -0.10 0.68 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1hfw s HIS 203 CO 0.15 -0.88 0.00 0.25 -2.00 0.00 0.00 174.74 172.26 1hfw n THR 204 N -0.63 0.00 0.15 -5.38 -2.24 -0.31 -1.03 114.28 104.84 1hfw n THR 204 Ca -0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.83 1hfw n THR 204 Cb 0.60 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 69.33 1hfw n THR 204 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hfw n THR 205 N 0.00 1.04 -1.06 4.28 -2.24 -1.23 -1.82 114.28 113.25 1hfw n THR 205 Ca 0.00 0.72 0.09 0.00 -2.27 0.00 0.00 64.05 62.59 1hfw n THR 205 Cb 0.00 -1.72 0.19 0.00 -2.10 0.00 0.00 70.33 66.70 1hfw n THR 205 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hfw n ARG 206 N -2.15 1.99 -3.48 -0.78 1.74 -0.19 -5.00 116.66 108.78 1hfw n ARG 206 Ca -0.01 -2.72 -0.36 0.00 -0.77 0.00 0.00 57.85 53.99 1hfw n ARG 206 Cb 0.08 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 29.81 1hfw n ARG 206 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1hfw s SER 207 N -2.48 6.74 0.01 0.55 0.15 -0.76 -4.60 113.70 113.32 1hfw s SER 207 Ca 0.37 0.93 0.27 0.00 0.70 0.00 0.00 55.95 58.22 1hfw s SER 207 Cb 0.31 -2.23 0.85 0.00 -1.71 0.00 0.00 66.02 63.24 1hfw s SER 207 CO 0.05 0.18 1.66 1.33 1.20 0.00 0.00 173.24 177.66 1hfw n VAL 208 N 1.05 0.04 -2.82 4.45 0.24 -1.26 -4.86 118.33 115.17 1hfw n VAL 208 Ca -0.08 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.34 61.79 1hfw n VAL 208 Cb 0.52 -0.15 -0.05 0.00 -1.47 0.00 0.00 33.84 32.69 1hfw n VAL 208 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1hfw s PHE 209 N -3.01 3.82 -0.07 6.34 0.08 -1.26 -5.05 117.98 118.83 1hfw s PHE 209 Ca 0.12 1.71 -0.03 0.00 0.12 0.00 0.00 56.93 58.86 1hfw s PHE 209 Cb 0.18 -2.96 0.04 0.00 -0.57 0.00 0.00 43.02 39.71 1hfw s PHE 209 CO 0.62 0.28 0.14 0.34 -0.10 0.00 0.00 175.22 176.50 1hfw s ASP 210 N -0.26 0.39 0.00 1.36 2.15 -1.26 -4.68 116.67 114.37 1hfw s ASP 210 Ca 0.43 0.28 0.16 0.00 0.43 0.00 0.00 52.55 53.85 1hfw s ASP 210 Cb -0.23 0.19 0.33 0.00 -0.30 0.00 0.00 42.92 42.91 1hfw s ASP 210 CO 0.28 -0.20 1.25 1.33 -0.17 0.00 0.00 175.17 177.66 1hfw n VAL 211 N 4.80 0.63 -2.37 1.11 0.24 -1.26 -4.94 118.33 116.53 1hfw n VAL 211 Ca -0.15 -0.81 -0.42 0.00 -2.04 0.00 0.00 64.34 60.92 1hfw n VAL 211 Cb 0.51 0.81 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 1hfw n VAL 211 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1hfw s ARG 212 N -1.14 4.38 0.00 7.34 0.52 -1.26 -2.29 118.95 126.50 1hfw s ARG 212 Ca 0.29 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.31 1hfw s ARG 212 Cb 0.16 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 32.22 1hfw s ARG 212 CO 0.22 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.59 1hfw n GLY 213 N 3.34 0.84 3.02 -3.53 0.00 -1.26 -5.06 105.19 102.53 1hfw n GLY 213 Ca 0.10 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1hfw n GLY 213 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hfw s LEU 214 N 0.00 2.08 0.00 0.99 2.96 -0.97 -5.05 118.68 118.69 1hfw s LEU 214 Ca 0.00 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 1hfw s LEU 214 Cb 0.00 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.33 1hfw s LEU 214 CO 0.00 0.03 0.22 0.41 -1.32 0.00 0.00 176.35 175.69 1hfw n THR 215 N 2.52 0.00 -3.73 3.68 -1.04 -1.26 -5.03 114.28 109.42 1hfw n THR 215 Ca -0.15 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.05 61.47 1hfw n THR 215 Cb 0.57 1.45 -0.09 0.00 -1.82 0.00 0.00 70.33 70.44 1hfw n THR 215 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1hfw s SER 216 N -0.05 -0.28 0.07 8.00 0.15 -1.26 -4.97 113.70 115.36 1hfw s SER 216 Ca 0.00 0.27 0.09 0.00 0.70 0.00 0.00 55.95 57.01 1hfw s SER 216 Cb 0.00 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.69 1hfw s SER 216 CO 0.00 -0.42 -0.23 -0.76 1.20 0.00 0.00 173.24 173.03 1hfw s LEU 217 N -1.08 2.38 0.44 3.45 1.43 -1.26 -5.11 118.68 118.93 1hfw s LEU 217 Ca -0.11 -0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 52.17 1hfw s LEU 217 Cb -0.04 -1.36 -0.09 0.00 0.03 0.00 0.00 46.19 44.72 1hfw s LEU 217 CO 0.04 0.23 1.22 -2.65 0.23 0.00 0.00 176.35 175.42 1hfw n PRO 218 N 1.42 1.75 -2.63 1.29 -0.02 -1.26 -4.93 135.00 130.61 1hfw n PRO 218 Ca -0.17 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 1hfw n PRO 218 Cb 0.52 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1hfw n PRO 218 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hfw s LYS 219 N -2.27 4.43 -0.05 -0.52 2.20 -1.26 -4.85 119.74 117.42 1hfw s LYS 219 Ca 0.63 1.47 -0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1hfw s LYS 219 Cb -0.50 -3.52 0.03 0.00 -1.51 0.00 0.00 37.83 32.32 1hfw s LYS 219 CO 0.56 -0.29 -0.01 0.08 -0.36 0.00 0.00 175.35 175.33 1hfw s VAL 220 N 1.83 0.31 0.29 4.02 1.01 -1.26 -0.59 120.40 126.01 1hfw s VAL 220 Ca 0.51 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.65 1hfw s VAL 220 Cb -0.20 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1hfw s VAL 220 CO 0.21 0.20 0.01 -1.81 0.00 0.00 0.00 175.10 173.72 1hfw s ASP 221 N 1.35 4.45 -0.13 3.32 1.01 -1.08 -4.98 116.67 120.61 1hfw s ASP 221 Ca -0.05 -0.75 0.02 0.00 0.71 0.00 0.00 52.55 52.48 1hfw s ASP 221 Cb -0.13 -0.73 0.00 0.00 1.01 0.00 0.00 42.92 43.06 1hfw s ASP 221 CO -0.02 -0.10 -0.20 -0.63 0.21 0.00 0.00 175.17 174.43 1hfw s ILE 222 N -2.39 2.32 -0.05 0.77 1.01 -1.26 -0.79 121.20 120.80 1hfw s ILE 222 Ca 0.33 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 60.11 1hfw s ILE 222 Cb -0.04 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 1hfw s ILE 222 CO 0.20 0.54 -0.16 -0.76 0.00 0.00 0.00 174.94 174.76 1hfw s LEU 223 N 0.63 2.64 0.42 2.97 1.43 -0.36 -4.98 118.68 121.44 1hfw s LEU 223 Ca -0.10 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1hfw s LEU 223 Cb -0.16 -1.53 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1hfw s LEU 223 CO 0.03 0.33 0.76 -0.47 0.23 0.00 0.00 176.35 177.22 1hfw s TYR 224 N -0.63 3.50 -0.09 0.29 5.04 -1.26 -1.08 117.35 123.12 1hfw s TYR 224 Ca 0.09 0.93 0.03 0.00 -2.44 0.00 0.00 57.07 55.69 1hfw s TYR 224 Cb -0.11 -2.37 -0.01 0.00 0.35 0.00 0.00 41.96 39.82 1hfw s TYR 224 CO 0.01 -0.15 -0.18 0.20 -1.34 0.00 0.00 175.55 174.09 1hfw s GLY 225 N -3.49 1.44 0.11 8.97 0.00 -0.55 -4.86 107.32 108.94 1hfw s GLY 225 Ca 0.49 -0.96 -0.26 0.00 0.00 0.00 0.00 44.72 43.99 1hfw s GLY 225 CO 0.36 -0.43 1.06 -2.52 0.00 0.00 0.00 173.10 171.57 1hfw s TYR 226 N 0.03 -0.07 0.24 1.90 1.13 -1.26 -4.48 117.35 114.83 1hfw s TYR 226 Ca -0.07 -0.19 -0.31 0.00 -1.41 0.00 0.00 57.07 55.09 1hfw s TYR 226 Cb -0.15 0.62 -0.12 0.00 -1.10 0.00 0.00 41.96 41.21 1hfw s TYR 226 CO 0.05 -0.69 1.63 1.04 -2.51 0.00 0.00 175.55 175.08 1hfw n GLN 227 N -0.52 2.63 -1.49 -3.49 6.02 -1.26 -2.04 117.38 117.24 1hfw n GLN 227 Ca -0.06 0.94 -0.09 0.00 -0.01 0.00 0.00 57.00 57.78 1hfw n GLN 227 Cb 0.61 -2.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.10 1hfw n GLN 227 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1hfw n ASP 228 N 3.03 -3.84 -4.75 1.08 8.00 -1.26 -4.98 116.55 113.83 1hfw n ASP 228 Ca 0.13 0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.37 1hfw n ASP 228 Cb 0.35 -2.38 -0.01 0.00 -0.02 0.00 0.00 41.12 39.05 1hfw n ASP 228 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1hfw n ASP 229 N 0.48 3.87 -4.75 -2.24 5.75 -0.87 -4.96 116.55 113.84 1hfw n ASP 229 Ca -0.09 1.15 -0.40 0.00 -0.01 0.00 0.00 54.79 55.43 1hfw n ASP 229 Cb 0.37 -1.60 -0.06 0.00 -1.03 0.00 0.00 41.12 38.80 1hfw n ASP 229 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1hfw s PRO 230 N -0.56 4.82 0.30 0.11 0.04 -1.26 -4.70 135.00 133.76 1hfw s PRO 230 Ca 0.64 1.51 0.15 0.00 0.04 0.00 0.00 61.00 63.34 1hfw s PRO 230 Cb -0.49 -3.28 0.35 0.00 0.04 0.00 0.00 34.50 31.11 1hfw s PRO 230 CO 0.49 0.46 1.58 1.49 0.04 0.00 0.00 177.00 181.06 1hfw h GLU 231 N 4.28 0.00 0.00 4.56 4.81 -1.93 -3.27 114.58 123.03 1hfw h GLU 231 Ca -0.45 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1hfw h GLU 231 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1hfw h GLU 231 CO 0.68 0.54 -0.05 0.10 -0.73 0.00 0.00 179.01 179.55 1hfw h TYR 232 N 0.00 0.00 0.00 0.92 -0.00 -1.93 -1.99 116.97 113.97 1hfw h TYR 232 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.67 1hfw h TYR 232 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.90 1hfw h TYR 232 CO 0.00 0.05 -0.26 -0.07 -0.00 0.00 0.00 178.16 177.88 1hfw h LEU 233 N 0.00 0.00 -0.26 0.10 3.38 -1.99 -2.19 115.31 114.35 1hfw h LEU 233 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1hfw h LEU 233 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1hfw h LEU 233 CO 0.01 0.26 -0.37 1.88 0.09 0.00 0.00 178.44 180.30 1hfw h TYR 234 N 0.00 0.87 -0.64 1.13 -1.99 -1.58 -2.78 116.97 111.98 1hfw h TYR 234 Ca -0.00 -0.29 0.04 0.00 2.00 0.00 0.00 58.73 60.48 1hfw h TYR 234 Cb 0.49 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 39.00 1hfw h TYR 234 CO 0.00 1.06 0.37 -0.44 -0.00 0.00 0.00 178.16 179.15 1hfw h ASP 235 N 0.44 0.57 -0.60 3.88 3.32 -1.42 -1.51 116.42 121.10 1hfw h ASP 235 Ca 0.03 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1hfw h ASP 235 Cb 0.96 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 1hfw h ASP 235 CO 0.09 0.38 0.26 0.00 -1.72 0.00 0.00 179.24 178.25 1hfw h ALA 236 N 1.31 0.78 -0.15 3.45 0.00 -1.40 -1.41 119.26 121.84 1hfw h ALA 236 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1hfw h ALA 236 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1hfw h ALA 236 CO -0.15 0.37 0.06 0.00 0.00 0.00 0.00 179.25 179.53 1hfw h ALA 237 N 1.10 0.19 -0.26 0.00 0.00 -1.17 -2.32 119.26 116.81 1hfw h ALA 237 Ca 0.20 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1hfw h ALA 237 Cb 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1hfw h ALA 237 CO -0.02 -0.23 0.15 0.82 0.00 0.00 0.00 179.25 179.97 1hfw h ILE 238 N 0.09 1.03 0.00 0.00 2.04 -1.19 -2.39 117.51 117.09 1hfw h ILE 238 Ca 0.05 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1hfw h ILE 238 Cb 0.16 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1hfw h ILE 238 CO -0.00 0.06 0.00 1.56 0.00 0.00 0.00 178.15 179.76 1hfw h GLN 239 N 0.32 0.00 -0.54 2.37 4.20 -1.19 -2.57 115.11 117.70 1hfw h GLN 239 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1hfw h GLN 239 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1hfw h GLN 239 CO -0.04 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.84 1hfw n HIS 240 N -3.00 0.75 -1.28 2.96 8.25 -0.88 -4.96 115.22 117.05 1hfw n HIS 240 Ca -0.01 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1hfw n HIS 240 Cb 0.22 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1hfw n HIS 240 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hfw n GLY 241 N 1.29 0.51 3.77 -1.41 0.00 -0.97 -5.05 105.19 103.33 1hfw n GLY 241 Ca 0.18 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 1hfw n GLY 241 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfw s VAL 242 N -2.00 3.02 -0.06 1.61 -7.23 -1.17 -4.80 120.40 109.77 1hfw s VAL 242 Ca 0.00 0.64 0.22 0.00 -1.81 0.00 0.00 61.98 61.02 1hfw s VAL 242 Cb 0.00 -3.26 -0.31 0.00 0.56 0.00 0.00 36.38 33.37 1hfw s VAL 242 CO 0.00 -0.13 0.47 0.29 -0.31 0.00 0.00 175.10 175.42 1hfw n LYS 243 N -1.36 0.66 -3.62 4.82 4.76 0.24 -4.86 118.16 118.80 1hfw n LYS 243 Ca 0.12 -0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.27 1hfw n LYS 243 Cb 0.51 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 32.10 1hfw n LYS 243 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1hfw s GLY 244 N -4.61 -0.34 -0.06 0.72 0.00 -1.09 -2.19 107.32 99.76 1hfw s GLY 244 Ca -0.08 0.33 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1hfw s GLY 244 CO 0.90 0.06 -0.07 -0.42 0.00 0.00 0.00 173.10 173.57 1hfw s ILE 245 N -2.82 0.74 -0.20 0.90 1.01 -0.19 -2.62 121.20 118.02 1hfw s ILE 245 Ca -0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.31 1hfw s ILE 245 Cb -0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1hfw s ILE 245 CO -0.05 0.28 0.10 -0.69 0.00 0.00 0.00 174.94 174.58 1hfw s VAL 246 N 1.01 5.04 -0.32 2.92 1.01 0.03 -0.81 120.40 129.28 1hfw s VAL 246 Ca -0.09 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 1hfw s VAL 246 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1hfw s VAL 246 CO -0.00 0.42 0.14 -0.47 0.00 0.00 0.00 175.10 175.19 1hfw s TYR 247 N 0.61 3.18 -1.25 5.22 5.04 0.27 -1.22 117.35 129.20 1hfw s TYR 247 Ca 0.05 -0.73 -0.13 0.00 -2.44 0.00 0.00 57.07 53.82 1hfw s TYR 247 Cb -0.12 -2.34 0.15 0.00 0.35 0.00 0.00 41.96 40.00 1hfw s TYR 247 CO 0.01 -0.51 1.60 0.00 -1.34 0.00 0.00 175.55 175.31 1hfw n ALA 248 N 4.95 4.21 -1.58 3.97 0.00 -0.24 0.06 120.51 131.87 1hfw n ALA 248 Ca -0.14 -4.19 -0.29 0.00 0.00 0.00 0.00 53.44 48.82 1hfw n ALA 248 Cb 0.48 -3.14 0.12 0.00 0.00 0.00 0.00 19.45 16.92 1hfw n ALA 248 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1hfw s GLY 249 N 2.64 1.58 0.25 0.00 0.00 -1.09 -1.48 107.32 109.22 1hfw s GLY 249 Ca 0.44 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 1hfw s GLY 249 CO 0.01 0.04 1.08 1.06 0.00 0.00 0.00 173.10 175.30 1hfw s MET 250 N -5.29 4.65 5.08 2.90 -1.94 -1.25 -0.48 119.30 122.98 1hfw s MET 250 Ca 0.63 1.75 0.00 0.00 -1.71 0.00 0.00 55.69 56.36 1hfw s MET 250 Cb -0.14 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.48 1hfw s MET 250 CO 0.53 0.21 0.00 0.41 -0.01 0.00 0.00 175.02 176.16 1hfw n GLY 251 N 1.44 3.09 2.49 -0.03 0.00 -1.26 -1.24 105.19 109.67 1hfw n GLY 251 Ca -0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1hfw n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfw n ALA 252 N 9.79 6.80 -2.55 4.61 0.00 -1.26 -4.56 120.51 133.34 1hfw n ALA 252 Ca 0.00 -4.05 -0.16 0.00 0.00 0.00 0.00 53.44 49.23 1hfw n ALA 252 Cb 0.00 -2.83 0.01 0.00 0.00 0.00 0.00 19.45 16.63 1hfw n ALA 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfw n GLY 253 N 1.92 -0.23 3.77 0.00 0.00 -1.10 -4.75 105.19 104.79 1hfw n GLY 253 Ca 0.63 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 46.10 1hfw n GLY 253 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hfw s SER 254 N -2.54 6.07 -0.03 1.61 0.01 -0.37 -4.88 113.70 113.57 1hfw s SER 254 Ca 0.11 2.26 0.04 0.00 1.31 0.00 0.00 55.95 59.67 1hfw s SER 254 Cb -0.05 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.58 1hfw s SER 254 CO 0.13 -0.98 -0.15 -0.69 0.41 0.00 0.00 173.24 171.96 1hfw s VAL 255 N -1.61 1.24 0.89 3.43 1.01 -1.26 -3.85 120.40 120.24 1hfw s VAL 255 Ca 0.66 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1hfw s VAL 255 Cb -0.27 -1.06 0.14 0.00 0.00 0.00 0.00 36.38 35.19 1hfw s VAL 255 CO 0.32 0.36 1.24 -0.94 0.00 0.00 0.00 175.10 176.08 1hfw s SER 256 N -0.06 3.81 0.35 3.32 1.04 -1.26 -4.82 113.70 116.08 1hfw s SER 256 Ca -0.01 0.56 0.05 0.00 0.48 0.00 0.00 55.95 57.03 1hfw s SER 256 Cb -0.09 -0.86 0.66 0.00 0.10 0.00 0.00 66.02 65.83 1hfw s SER 256 CO 0.01 -2.33 1.93 -0.37 0.98 0.00 0.00 173.24 173.46 1hfw h VAL 257 N -1.35 1.17 -0.17 5.02 -1.51 -1.99 -1.03 116.25 116.39 1hfw h VAL 257 Ca -0.45 -0.61 -0.15 0.00 -1.23 0.00 0.00 66.70 64.26 1hfw h VAL 257 Cb 1.29 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1hfw h VAL 257 CO 0.53 0.22 -0.51 0.03 -1.23 0.00 0.00 177.57 176.62 1hfw h ARG 258 N 0.56 0.47 -0.14 5.19 3.08 -1.93 -2.37 114.38 119.24 1hfw h ARG 258 Ca 0.13 -0.28 -0.17 0.00 0.07 0.00 0.00 59.98 59.73 1hfw h ARG 258 Cb 0.20 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1hfw h ARG 258 CO -0.01 0.87 -0.63 0.78 -1.07 0.00 0.00 179.97 179.92 1hfw h GLY 259 N 1.14 0.55 0.95 0.04 0.00 -1.70 -2.38 103.07 101.67 1hfw h GLY 259 Ca 0.01 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.60 1hfw h GLY 259 CO 0.09 0.62 0.06 -2.22 0.00 0.00 0.00 176.54 175.09 1hfw h ILE 260 N 0.37 1.24 -0.70 2.60 2.04 -1.11 -0.24 117.51 121.71 1hfw h ILE 260 Ca -0.01 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1hfw h ILE 260 Cb 1.18 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 1hfw h ILE 260 CO 0.11 0.31 0.41 0.00 0.00 0.00 0.00 178.15 178.98 1hfw h ALA 261 N 0.93 0.89 -0.34 1.87 0.00 -1.39 -1.21 119.26 120.01 1hfw h ALA 261 Ca 0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1hfw h ALA 261 Cb 0.38 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1hfw h ALA 261 CO 0.01 0.38 -0.15 0.78 0.00 0.00 0.00 179.25 180.27 1hfw h GLY 262 N 0.96 0.66 1.57 0.00 0.00 -1.17 -2.72 103.07 102.37 1hfw h GLY 262 Ca 0.25 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.93 1hfw h GLY 262 CO -0.04 0.46 -0.54 -0.33 0.00 0.00 0.00 176.54 176.09 1hfw h MET 263 N 0.56 0.45 -0.40 4.80 2.07 -0.64 -2.84 114.93 118.93 1hfw h MET 263 Ca 0.09 -0.28 -0.03 0.00 -2.07 0.00 0.00 59.70 57.42 1hfw h MET 263 Cb 0.58 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.33 1hfw h MET 263 CO 0.04 0.87 0.14 0.00 1.07 0.00 0.00 176.91 179.03 1hfw h ARG 264 N 0.35 0.61 -0.95 1.72 3.08 -1.05 -0.48 114.38 117.66 1hfw h ARG 264 Ca 0.01 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1hfw h ARG 264 Cb 1.05 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 1hfw h ARG 264 CO 0.10 0.60 0.63 0.87 -1.07 0.00 0.00 179.97 181.09 1hfw h LYS 265 N 0.50 1.16 -0.30 0.04 1.57 -1.45 -1.67 116.57 116.41 1hfw h LYS 265 Ca 0.13 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1hfw h LYS 265 Cb 0.23 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1hfw h LYS 265 CO -0.01 0.77 -0.03 0.00 -0.57 0.00 0.00 179.45 179.61 1hfw h ALA 266 N 1.45 0.41 -0.72 3.86 0.00 -1.21 -2.97 119.26 120.06 1hfw h ALA 266 Ca 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1hfw h ALA 266 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1hfw h ALA 266 CO -0.12 0.19 0.39 -0.07 0.00 0.00 0.00 179.25 179.64 1hfw h LEU 267 N 0.33 0.89 -1.54 0.00 3.38 -0.51 -1.49 115.31 116.37 1hfw h LEU 267 Ca 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1hfw h LEU 267 Cb 0.49 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1hfw h LEU 267 CO 0.02 0.72 -0.23 -0.33 0.09 0.00 0.00 178.44 178.72 1hfw h GLU 268 N 1.01 0.01 -0.15 1.13 5.08 -1.24 -2.26 114.58 118.15 1hfw h GLU 268 Ca 0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1hfw h GLU 268 Cb 0.03 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1hfw h GLU 268 CO -0.04 0.23 0.00 1.63 -1.00 0.00 0.00 179.01 179.83 1hfw n LYS 269 N -4.27 1.52 -1.00 2.33 4.01 -0.81 -4.91 118.16 115.04 1hfw n LYS 269 Ca -0.02 -0.79 0.00 0.00 -0.51 0.00 0.00 58.31 56.99 1hfw n LYS 269 Cb 0.28 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.49 1hfw n LYS 269 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1hfw n GLY 270 N 0.98 0.46 3.75 0.72 0.00 -0.85 -5.03 105.19 105.23 1hfw n GLY 270 Ca 0.13 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1hfw n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfw s VAL 271 N -2.00 4.83 -0.17 1.61 1.01 -0.63 -4.98 120.40 120.07 1hfw s VAL 271 Ca 0.00 1.44 -0.24 0.00 0.00 0.00 0.00 61.98 63.18 1hfw s VAL 271 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1hfw s VAL 271 CO 0.00 0.38 0.76 -0.69 0.00 0.00 0.00 175.10 175.55 1hfw s VAL 272 N -0.06 4.94 -0.21 2.92 1.01 -0.93 -4.08 120.40 124.00 1hfw s VAL 272 Ca 0.35 1.48 -0.08 0.00 0.00 0.00 0.00 61.98 63.73 1hfw s VAL 272 Cb -0.19 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1hfw s VAL 272 CO 0.20 0.07 0.08 -0.69 0.00 0.00 0.00 175.10 174.76 1hfw s VAL 273 N 1.96 4.83 -0.19 2.92 1.01 -1.26 -1.02 120.40 128.65 1hfw s VAL 273 Ca 0.35 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1hfw s VAL 273 Cb -0.16 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1hfw s VAL 273 CO 0.12 0.41 -0.17 -0.32 0.00 0.00 0.00 175.10 175.14 1hfw s MET 274 N 0.73 2.92 -0.28 2.72 1.75 0.01 -1.31 119.30 125.84 1hfw s MET 274 Ca 0.04 -0.88 -0.19 0.00 -1.25 0.00 0.00 55.69 53.41 1hfw s MET 274 Cb -0.13 -2.65 -0.02 0.00 2.84 0.00 0.00 34.83 34.87 1hfw s MET 274 CO 0.02 -0.26 0.56 1.03 -0.65 0.00 0.00 175.02 175.72 1hfw s ARG 275 N 1.28 3.99 0.00 4.11 0.52 0.48 -0.57 118.95 128.76 1hfw s ARG 275 Ca 0.03 0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 1hfw s ARG 275 Cb -0.14 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.64 1hfw s ARG 275 CO -0.11 -0.44 0.00 0.45 0.02 0.00 0.00 175.30 175.21 1hfw n SER 276 N 5.67 1.23 -3.98 0.23 2.88 0.11 -1.42 113.62 118.34 1hfw n SER 276 Ca -0.03 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.40 1hfw n SER 276 Cb 0.49 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 1hfw n SER 276 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hfw s THR 277 N 1.41 0.21 -1.15 2.46 -1.32 -1.26 -2.66 115.64 113.34 1hfw s THR 277 Ca 0.00 -0.77 0.25 0.00 -1.21 0.00 0.00 61.69 59.97 1hfw s THR 277 Cb 0.00 -0.31 0.05 0.00 -1.51 0.00 0.00 72.50 70.73 1hfw s THR 277 CO 0.00 -0.36 1.43 -2.11 -2.21 0.00 0.00 174.62 171.37 1hfw n ARG 278 N 1.88 0.16 -0.19 7.08 1.85 0.37 -4.37 116.66 123.44 1hfw n ARG 278 Ca -0.21 -0.10 -0.01 0.00 -1.00 0.00 0.00 57.85 56.53 1hfw n ARG 278 Cb 0.56 -1.50 0.21 0.00 -1.05 0.00 0.00 32.46 30.68 1hfw n ARG 278 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1hfw h THR 279 N 0.23 1.21 0.00 8.89 1.35 -1.84 -3.47 112.91 119.28 1hfw h THR 279 Ca 0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1hfw h THR 279 Cb 0.50 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 1hfw h THR 279 CO 0.00 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 1hfw n GLY 280 N -1.14 2.16 3.30 5.82 0.00 -1.26 -5.08 105.19 108.99 1hfw n GLY 280 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1hfw n GLY 280 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hfw s ASN 281 N -1.44 -0.06 0.00 1.61 0.01 -1.26 -4.99 114.94 108.81 1hfw s ASN 281 Ca 0.00 -0.56 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1hfw s ASN 281 Cb 0.00 0.43 0.00 0.00 0.41 0.00 0.00 41.25 42.09 1hfw s ASN 281 CO 0.00 -0.84 0.00 0.61 -1.51 0.00 0.00 177.10 175.36 1hfw n GLY 282 N -0.18 1.10 3.71 0.66 0.00 -1.26 -5.02 105.19 104.20 1hfw n GLY 282 Ca -0.13 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.43 1hfw n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfw s ILE 283 N -1.51 5.04 -0.45 -0.61 -1.09 -1.26 -4.15 121.20 117.17 1hfw s ILE 283 Ca 0.00 0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.32 1hfw s ILE 283 Cb 0.00 -3.25 0.06 0.00 -1.58 0.00 0.00 42.46 37.68 1hfw s ILE 283 CO 0.00 0.50 0.35 -0.69 -1.23 0.00 0.00 174.94 173.87 1hfw s VAL 284 N -0.02 5.15 0.45 2.92 1.01 -0.76 -4.93 120.40 124.22 1hfw s VAL 284 Ca 0.08 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1hfw s VAL 284 Cb -0.12 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1hfw s VAL 284 CO 0.00 -0.48 0.97 -2.16 0.00 0.00 0.00 175.10 173.43 1hfw s PRO 285 N 1.63 4.14 0.79 2.72 0.04 -1.26 -3.78 135.00 139.29 1hfw s PRO 285 Ca 0.04 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 1hfw s PRO 285 Cb -0.22 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.23 1hfw s PRO 285 CO 0.07 -0.11 1.17 -1.25 0.04 0.00 0.00 177.00 176.92 1hfw s PRO 286 N -3.26 1.80 -0.27 0.56 0.04 -1.26 -4.97 135.00 127.64 1hfw s PRO 286 Ca 0.63 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 1hfw s PRO 286 Cb -0.10 -1.81 0.16 0.00 0.04 0.00 0.00 34.50 32.79 1hfw s PRO 286 CO 0.16 -2.07 0.48 0.34 0.04 0.00 0.00 177.00 175.95 1hfw s ASP 287 N -2.40 -0.52 0.59 6.66 -1.08 -1.26 -5.04 116.67 113.62 1hfw s ASP 287 Ca 0.70 0.51 0.31 0.00 -0.52 0.00 0.00 52.55 53.55 1hfw s ASP 287 Cb -0.26 1.61 1.83 0.00 -1.46 0.00 0.00 42.92 44.65 1hfw s ASP 287 CO 0.50 -0.28 2.25 1.05 0.52 0.00 0.00 175.17 179.21 1hfw h GLU 288 N 8.10 0.00 -0.00 4.34 9.09 -1.98 -2.36 114.58 131.76 1hfw h GLU 288 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.20 1hfw h GLU 288 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1hfw h GLU 288 CO 0.27 0.01 -0.03 0.39 0.05 0.00 0.00 179.01 179.70 1hfw n GLU 289 N -3.77 0.04 -4.18 1.06 1.02 -1.26 -4.83 120.64 108.71 1hfw n GLU 289 Ca -0.03 -0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.81 1hfw n GLU 289 Cb 0.10 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 1hfw n GLU 289 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1hfw s LEU 290 N -2.96 3.22 0.55 -4.62 1.43 -0.89 -5.12 118.68 110.29 1hfw s LEU 290 Ca 0.15 -0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 1hfw s LEU 290 Cb 0.19 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 1hfw s LEU 290 CO 0.53 0.18 1.03 -2.16 0.23 0.00 0.00 176.35 176.15 1hfw s PRO 291 N -2.26 3.63 0.24 1.29 0.04 -1.26 -4.89 135.00 131.80 1hfw s PRO 291 Ca 0.23 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1hfw s PRO 291 Cb -0.11 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1hfw s PRO 291 CO 0.16 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1hfw n GLY 292 N -1.13 -2.65 3.92 0.56 0.00 -1.26 -4.89 105.19 99.74 1hfw n GLY 292 Ca 0.08 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 1hfw n GLY 292 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hfw s LEU 293 N 0.00 3.18 0.10 0.99 1.43 -0.43 -4.94 118.68 119.00 1hfw s LEU 293 Ca 0.00 -0.87 0.09 0.00 -1.03 0.00 0.00 54.13 52.31 1hfw s LEU 293 Cb 0.00 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 1hfw s LEU 293 CO 0.00 -0.90 -0.19 0.68 0.23 0.00 0.00 176.35 176.17 1hfw s VAL 294 N -2.58 2.74 -2.21 -1.59 -7.23 -1.26 -0.39 120.40 107.88 1hfw s VAL 294 Ca 0.47 -1.45 0.20 0.00 -1.81 0.00 0.00 61.98 59.40 1hfw s VAL 294 Cb -0.04 -2.22 0.47 0.00 0.56 0.00 0.00 36.38 35.15 1hfw s VAL 294 CO 0.28 0.17 1.58 -1.54 -0.31 0.00 0.00 175.10 175.28 1hfw n SER 295 N 1.04 1.28 0.00 4.85 3.41 -0.51 -4.86 113.62 118.84 1hfw n SER 295 Ca -0.16 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 1hfw n SER 295 Cb 0.53 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1hfw n SER 295 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1hfw n ASP 296 N 0.07 0.00 -1.04 4.04 -0.08 -1.25 -1.81 116.55 116.48 1hfw n ASP 296 Ca 0.15 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.53 1hfw n ASP 296 Cb 0.27 0.00 0.26 0.00 2.34 0.00 0.00 41.12 43.99 1hfw n ASP 296 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1hfw n SER 297 N 3.52 3.04 -4.72 1.67 3.41 -1.26 -1.82 113.62 117.46 1hfw n SER 297 Ca 0.00 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.21 1hfw n SER 297 Cb 0.00 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 1hfw n SER 297 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hfw s LEU 298 N -1.10 4.41 0.79 1.04 2.01 -0.75 -4.75 118.68 120.33 1hfw s LEU 298 Ca 0.38 1.98 -0.12 0.00 0.01 0.00 0.00 54.13 56.39 1hfw s LEU 298 Cb 0.20 -3.59 0.07 0.00 0.01 0.00 0.00 46.19 42.89 1hfw s LEU 298 CO 0.27 -0.36 1.16 0.54 1.01 0.00 0.00 176.35 178.97 1hfw s ASN 299 N 0.70 4.64 0.20 2.29 2.20 -1.26 -4.69 114.94 119.02 1hfw s ASN 299 Ca 0.55 0.82 -0.17 0.00 -0.94 0.00 0.00 52.86 53.12 1hfw s ASN 299 Cb -0.28 -1.36 0.18 0.00 -2.00 0.00 0.00 41.25 37.79 1hfw s ASN 299 CO 0.31 -1.82 1.61 -0.65 -2.94 0.00 0.00 177.10 173.60 1hfw h PRO 300 N -0.99 -0.09 -0.61 3.55 0.11 -1.95 0.11 132.00 132.13 1hfw h PRO 300 Ca -0.46 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1hfw h PRO 300 Cb 1.32 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1hfw h PRO 300 CO 0.66 -0.06 0.38 0.00 -0.21 0.00 0.00 178.00 178.77 1hfw h ALA 301 N 1.31 0.78 -0.33 -0.75 0.00 -1.97 -1.74 119.26 116.57 1hfw h ALA 301 Ca 0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1hfw h ALA 301 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hfw h ALA 301 CO -0.65 0.13 -0.26 0.45 0.00 0.00 0.00 179.25 178.92 1hfw h HIS 302 N 0.76 0.90 -1.00 0.00 3.86 -1.78 -3.21 115.15 114.67 1hfw h HIS 302 Ca 0.24 -0.25 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1hfw h HIS 302 Cb -0.00 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 28.21 1hfw h HIS 302 CO -0.05 1.01 0.65 0.00 0.86 0.00 0.00 177.93 180.40 1hfw h ALA 303 N 0.75 1.34 -0.53 2.45 0.00 -0.50 -2.41 119.26 120.36 1hfw h ALA 303 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hfw h ALA 303 Cb 0.83 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1hfw h ALA 303 CO 0.07 0.57 0.31 -0.09 0.00 0.00 0.00 179.25 180.10 1hfw h ARG 304 N 1.27 0.72 -0.03 0.00 2.43 -1.34 -0.66 114.38 116.78 1hfw h ARG 304 Ca 0.39 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.51 1hfw h ARG 304 Cb -0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1hfw h ARG 304 CO -0.12 0.54 -0.08 0.82 -1.51 0.00 0.00 179.97 179.62 1hfw h ILE 305 N 0.71 0.79 -0.57 1.20 1.08 -1.45 -1.45 117.51 117.82 1hfw h ILE 305 Ca 0.19 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.60 1hfw h ILE 305 Cb 0.01 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 1hfw h ILE 305 CO -0.03 0.00 0.11 0.25 -0.69 0.00 0.00 178.15 177.78 1hfw h LEU 306 N -0.12 0.85 -0.53 1.44 5.85 -1.30 -2.62 115.31 118.87 1hfw h LEU 306 Ca 0.04 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1hfw h LEU 306 Cb 0.18 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1hfw h LEU 306 CO -0.10 0.85 0.16 0.25 -0.34 0.00 0.00 178.44 179.26 1hfw h LEU 307 N 0.86 0.78 -0.41 2.25 5.85 -0.78 0.03 115.31 123.89 1hfw h LEU 307 Ca 0.18 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1hfw h LEU 307 Cb 0.36 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1hfw h LEU 307 CO 0.01 0.79 0.22 0.24 -0.34 0.00 0.00 178.44 179.35 1hfw h MET 308 N 0.74 0.44 -0.39 1.25 2.86 -1.09 -1.29 114.93 117.45 1hfw h MET 308 Ca 0.17 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1hfw h MET 308 Cb 0.29 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1hfw h MET 308 CO -0.00 0.29 -0.22 -0.07 1.06 0.00 0.00 176.91 177.96 1hfw h LEU 309 N 0.45 0.78 -0.73 1.22 3.38 -1.32 -3.01 115.31 116.08 1hfw h LEU 309 Ca 0.17 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1hfw h LEU 309 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1hfw h LEU 309 CO -0.10 0.98 0.31 0.00 0.09 0.00 0.00 178.44 179.71 1hfw h ALA 310 N 1.08 0.94 0.00 1.53 0.00 -0.58 -2.39 119.26 119.84 1hfw h ALA 310 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1hfw h ALA 310 Cb 0.73 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1hfw h ALA 310 CO 0.06 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.13 1hfw n LEU 311 N -4.37 0.26 -0.18 0.00 4.77 -0.52 -1.37 117.00 115.59 1hfw n LEU 311 Ca 0.06 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 1hfw n LEU 311 Cb 0.17 -0.57 0.51 0.00 -2.33 0.00 0.00 43.42 41.19 1hfw n LEU 311 CO 0.40 -0.50 0.78 0.35 -1.33 0.00 0.00 177.39 177.09 1hfw n THR 312 N -1.81 0.00 0.00 -5.08 -2.24 -0.90 -4.11 114.28 100.14 1hfw n THR 312 Ca 0.02 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1hfw n THR 312 Cb 0.13 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1hfw n THR 312 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hfw n ARG 313 N -0.80 2.11 -3.78 -0.78 1.74 -0.47 -5.12 116.66 109.57 1hfw n ARG 313 Ca 0.14 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.18 1hfw n ARG 313 Cb 0.31 -0.95 -0.01 0.00 -1.02 0.00 0.00 32.46 30.78 1hfw n ARG 313 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1hfw s THR 314 N -1.87 0.00 0.00 0.55 -1.32 -0.78 -5.03 115.64 107.20 1hfw s THR 314 Ca 0.00 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1hfw s THR 314 Cb 0.00 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.92 1hfw s THR 314 CO 0.00 0.00 0.24 -1.54 -2.21 0.00 0.00 174.62 171.11 1hfw n SER 315 N -0.54 0.48 -4.64 8.08 3.41 -1.26 -4.10 113.62 115.06 1hfw n SER 315 Ca -0.06 -0.97 -0.43 0.00 -0.26 0.00 0.00 58.87 57.16 1hfw n SER 315 Cb 0.60 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 1hfw n SER 315 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hfw s ASP 316 N -0.02 6.58 0.47 4.04 -1.08 -1.26 -4.91 116.67 120.49 1hfw s ASP 316 Ca 0.00 1.53 0.15 0.00 -0.52 0.00 0.00 52.55 53.71 1hfw s ASP 316 Cb 0.00 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 40.05 1hfw s ASP 316 CO 0.00 -1.10 2.05 1.55 0.52 0.00 0.00 175.17 178.19 1hfw h PRO 317 N 9.78 0.24 -0.47 4.34 0.13 -1.99 -1.85 132.00 142.18 1hfw h PRO 317 Ca -0.30 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.70 1hfw h PRO 317 Cb 1.13 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1hfw h PRO 317 CO 1.00 0.16 -0.15 -0.22 -0.23 0.00 0.00 178.00 178.57 1hfw h LYS 318 N 0.25 0.90 -0.16 0.86 3.11 -2.00 -1.37 116.57 118.16 1hfw h LYS 318 Ca 0.16 -0.34 -0.13 0.00 -2.81 0.00 0.00 60.65 57.53 1hfw h LYS 318 Cb 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 1hfw h LYS 318 CO -0.03 0.98 -0.41 0.28 -2.81 0.00 0.00 179.45 177.46 1hfw h VAL 319 N 0.79 1.34 -0.61 2.00 2.07 -1.80 -3.06 116.25 116.98 1hfw h VAL 319 Ca 0.12 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.97 1hfw h VAL 319 Cb 0.68 1.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1hfw h VAL 319 CO 0.05 0.51 0.37 0.40 0.02 0.00 0.00 177.57 178.92 1hfw h ILE 320 N 0.21 1.18 -0.74 4.57 2.04 -1.30 -2.35 117.51 121.12 1hfw h ILE 320 Ca -0.00 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1hfw h ILE 320 Cb 1.02 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1hfw h ILE 320 CO 0.09 0.18 0.48 -0.61 0.00 0.00 0.00 178.15 178.30 1hfw h GLN 321 N 0.83 0.81 -0.19 2.37 5.75 -1.27 -1.73 115.11 121.67 1hfw h GLN 321 Ca 0.22 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.54 1hfw h GLN 321 Cb -0.03 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 1hfw h GLN 321 CO -0.04 0.53 -0.44 1.49 -2.65 0.00 0.00 178.83 177.72 1hfw h GLU 322 N 0.83 0.45 -0.99 1.69 4.57 -1.33 -2.79 114.58 117.02 1hfw h GLU 322 Ca 0.31 -0.24 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1hfw h GLU 322 Cb 0.16 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.70 1hfw h GLU 322 CO -0.10 0.81 0.64 1.88 -1.18 0.00 0.00 179.01 181.05 1hfw h TYR 323 N 0.37 1.18 0.00 0.92 0.05 -0.94 -1.88 116.97 116.67 1hfw h TYR 323 Ca 0.03 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 1hfw h TYR 323 Cb 0.92 -0.39 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 1hfw h TYR 323 CO 0.03 0.62 -0.06 0.74 -1.05 0.00 0.00 178.16 178.44 1hfw h PHE 324 N 1.16 0.00 0.00 4.88 -1.00 -1.28 -0.75 116.94 119.95 1hfw h PHE 324 Ca 0.42 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1hfw h PHE 324 Cb 0.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1hfw h PHE 324 CO -0.01 0.06 -0.76 0.72 -1.61 0.00 0.00 178.31 176.71 1hfw n HIS 325 N -3.23 0.13 0.05 -0.55 8.25 -0.74 -4.45 115.22 114.69 1hfw n HIS 325 Ca -0.00 0.04 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 1hfw n HIS 325 Cb 0.28 -0.30 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 1hfw n HIS 325 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1hfw n THR 326 N -1.70 0.00 0.64 1.59 -2.24 -0.98 -5.06 114.28 106.52 1hfw n THR 326 Ca 0.04 -0.17 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 1hfw n THR 326 Cb 0.38 0.56 0.06 0.00 -2.10 0.00 0.00 70.33 69.23 1hfw n THR 326 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28