#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhy s THR 26 N 0.00 1.08 0.11 0.00 -4.23 -1.26 -5.16 115.64 106.18 3hhy s THR 26 Ca 0.00 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3hhy s THR 26 Cb 0.00 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 3hhy s THR 26 CO 0.00 -0.25 -0.04 0.00 -0.54 0.00 0.00 174.62 173.79 3hhy s ALA 27 N -1.36 1.02 -2.18 3.99 0.00 -1.26 -5.06 121.76 116.91 3hhy s ALA 27 Ca -0.02 -1.40 0.19 0.00 0.00 0.00 0.00 51.96 50.73 3hhy s ALA 27 Cb -0.10 0.30 0.52 0.00 0.00 0.00 0.00 23.12 23.85 3hhy s ALA 27 CO 0.02 -0.28 1.43 -0.40 0.00 0.00 0.00 175.76 176.53 3hhy n ASP 28 N -0.08 2.79 -4.60 0.00 3.85 -1.26 -4.99 116.55 112.26 3hhy n ASP 28 Ca -0.11 -1.94 -0.56 0.00 -0.71 0.00 0.00 54.79 51.48 3hhy n ASP 28 Cb 0.62 -0.28 -0.07 0.00 -1.35 0.00 0.00 41.12 40.03 3hhy n ASP 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3hhy n THR 29 N 1.04 0.06 -1.92 2.12 -1.04 -1.26 -4.96 114.28 108.31 3hhy n THR 29 Ca 0.18 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.86 3hhy n THR 29 Cb 0.47 -0.69 0.02 0.00 -1.82 0.00 0.00 70.33 68.31 3hhy n THR 29 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hhy s SER 30 N 1.13 5.89 0.27 8.00 1.04 -1.26 -4.87 113.70 123.91 3hhy s SER 30 Ca 0.90 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.96 3hhy s SER 30 Cb -1.09 -2.50 0.55 0.00 0.10 0.00 0.00 66.02 63.08 3hhy s SER 30 CO 0.55 -1.09 1.80 -0.65 0.98 0.00 0.00 173.24 174.83 3hhy h PRO 31 N -0.01 0.79 -0.89 4.02 0.11 -1.99 -0.91 132.00 133.11 3hhy h PRO 31 Ca -0.45 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3hhy h PRO 31 Cb 1.20 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 3hhy h PRO 31 CO 0.59 0.52 0.58 1.49 -0.21 0.00 0.00 178.00 180.97 3hhy h GLU 32 N 0.81 1.10 -0.14 1.05 4.81 -1.99 -0.28 114.58 119.94 3hhy h GLU 32 Ca 0.48 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.54 3hhy h GLU 32 Cb 0.58 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hhy h GLU 32 CO -0.31 0.73 -0.31 -0.09 -0.73 0.00 0.00 179.01 178.30 3hhy h ARG 33 N 1.13 0.46 -0.60 1.92 2.43 -1.70 -2.62 114.38 115.40 3hhy h ARG 33 Ca 0.35 -0.31 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3hhy h ARG 33 Cb -0.02 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3hhy h ARG 33 CO -0.11 0.91 0.23 1.25 -1.51 0.00 0.00 179.97 180.74 3hhy h LEU 34 N 0.07 0.83 -0.87 3.80 5.85 -1.04 -1.19 115.31 122.76 3hhy h LEU 34 Ca 0.00 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.70 3hhy h LEU 34 Cb 0.91 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.63 3hhy h LEU 34 CO 0.07 0.78 0.45 0.00 -0.34 0.00 0.00 178.44 179.40 3hhy h ALA 35 N 1.08 1.32 -0.04 1.25 0.00 -1.05 0.21 119.26 122.03 3hhy h ALA 35 Ca 0.20 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 3hhy h ALA 35 Cb 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hhy h ALA 35 CO -0.01 -0.10 -0.76 0.00 0.00 0.00 0.00 179.25 178.37 3hhy h ALA 36 N 1.57 0.15 -0.24 0.00 0.00 -1.01 -1.49 119.26 118.24 3hhy h ALA 36 Ca 0.48 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hhy h ALA 36 Cb 0.70 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hhy h ALA 36 CO -0.37 0.52 0.09 0.82 0.00 0.00 0.00 179.25 180.31 3hhy h ILE 37 N 0.20 1.17 -0.78 0.00 2.04 -0.92 -2.37 117.51 116.84 3hhy h ILE 37 Ca -0.08 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 3hhy h ILE 37 Cb 1.43 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 3hhy h ILE 37 CO 0.15 0.17 0.42 0.00 0.00 0.00 0.00 178.15 178.89 3hhy h ALA 38 N 0.94 1.00 0.04 1.87 0.00 -0.60 0.50 119.26 123.01 3hhy h ALA 38 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hhy h ALA 38 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hhy h ALA 38 CO -0.01 0.52 -0.02 -0.22 0.00 0.00 0.00 179.25 179.52 3hhy h LYS 39 N 1.08 -0.05 0.00 0.00 3.64 -1.14 -0.58 116.57 119.52 3hhy h LYS 39 Ca 0.27 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 3hhy h LYS 39 Cb 0.05 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3hhy h LYS 39 CO -0.04 0.02 -0.54 0.38 -2.27 0.00 0.00 179.45 177.00 3hhy h ASP 40 N -0.11 0.00 0.27 4.20 -0.00 -1.23 0.41 116.42 119.96 3hhy h ASP 40 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.01 3hhy h ASP 40 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.43 3hhy h ASP 40 CO 0.01 0.54 -0.13 0.00 -0.00 0.00 0.00 179.24 179.66 3hhy h ALA 41 N 1.46 -0.37 -0.60 4.15 0.00 -0.77 0.13 119.26 123.27 3hhy h ALA 41 Ca -0.01 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3hhy h ALA 41 Cb 1.25 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3hhy h ALA 41 CO 0.07 -0.62 0.01 -0.07 0.00 0.00 0.00 179.25 178.64 3hhy h LEU 42 N -0.53 1.03 -0.34 0.00 3.38 -1.15 -1.86 115.31 115.84 3hhy h LEU 42 Ca -0.04 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.69 3hhy h LEU 42 Cb 0.39 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3hhy h LEU 42 CO 0.06 1.08 -0.02 1.23 0.09 0.00 0.00 178.44 180.88 3hhy h GLY 43 N 0.95 0.32 0.86 0.83 0.00 -0.89 -0.09 103.07 105.05 3hhy h GLY 43 Ca 0.17 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.58 3hhy h GLY 43 CO 0.03 -0.09 0.24 0.00 0.00 0.00 0.00 176.54 176.72 3hhy h ALA 44 N 1.31 0.54 -0.44 3.60 0.00 -0.76 0.25 119.26 123.76 3hhy h ALA 44 Ca 0.17 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3hhy h ALA 44 Cb 0.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hhy h ALA 44 CO -0.30 -0.09 -0.02 -0.07 0.00 0.00 0.00 179.25 178.77 3hhy h LEU 45 N 0.49 0.78 -1.16 0.00 4.07 -1.06 -1.76 115.31 116.67 3hhy h LEU 45 Ca 0.18 -0.32 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 3hhy h LEU 45 Cb 0.03 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 3hhy h LEU 45 CO -0.09 0.91 0.35 0.78 -1.08 0.00 0.00 178.44 179.30 3hhy h ASN 46 N 0.63 0.83 -0.43 -0.43 -0.26 -0.78 -1.61 115.58 113.54 3hhy h ASN 46 Ca 0.12 -0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.74 3hhy h ASN 46 Cb 0.52 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 3hhy h ASN 46 CO 0.03 0.68 0.09 0.44 -1.06 0.00 0.00 177.43 177.61 3hhy h ASP 47 N 0.93 0.72 -0.13 5.81 3.45 -0.23 -1.63 116.42 125.35 3hhy h ASP 47 Ca 0.23 -0.14 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 3hhy h ASP 47 Cb 0.05 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 3hhy h ASP 47 CO -0.04 0.74 -0.29 0.58 -1.57 0.00 0.00 179.24 178.66 3hhy h VAL 48 N 0.74 1.28 -0.54 -1.35 2.07 -0.81 -0.14 116.25 117.50 3hhy h VAL 48 Ca 0.16 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 3hhy h VAL 48 Cb 0.33 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3hhy h VAL 48 CO 0.00 0.45 0.00 0.40 0.02 0.00 0.00 177.57 178.44 3hhy h ILE 49 N 0.52 1.26 -0.35 4.57 2.04 -0.95 -2.17 117.51 122.43 3hhy h ILE 49 Ca 0.07 -1.10 -0.16 0.00 1.00 0.00 0.00 64.86 64.66 3hhy h ILE 49 Cb 0.76 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3hhy h ILE 49 CO 0.06 0.39 -0.40 -0.07 0.00 0.00 0.00 178.15 178.14 3hhy h LEU 50 N 0.82 0.95 -0.02 1.44 3.38 -1.11 -0.74 115.31 120.04 3hhy h LEU 50 Ca 0.15 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3hhy h LEU 50 Cb 0.53 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hhy h LEU 50 CO 0.03 1.24 0.01 0.50 0.09 0.00 0.00 178.44 180.31 3hhy h LYS 51 N 0.69 0.02 -0.00 1.13 3.64 -0.90 -3.13 116.57 118.01 3hhy h LYS 51 Ca 0.05 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hhy h LYS 51 Cb 0.99 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3hhy h LYS 51 CO 0.10 0.10 -0.23 0.72 -2.27 0.00 0.00 179.45 177.86 3hhy n HIS 52 N -5.04 0.00 -3.29 1.91 8.25 -0.83 -4.96 115.22 111.27 3hhy n HIS 52 Ca -0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.22 3hhy n HIS 52 Cb 0.07 -0.19 0.07 0.00 1.12 0.00 0.00 29.99 31.06 3hhy n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hhy n GLY 53 N 1.36 -0.24 3.67 -1.41 0.00 -0.36 -4.91 105.19 103.29 3hhy n GLY 53 Ca 0.11 0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3hhy n GLY 53 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hhy n VAL 54 N -4.12 0.80 -3.20 1.61 0.31 -0.73 -4.96 118.33 108.05 3hhy n VAL 54 Ca -0.09 -0.20 -0.18 0.00 -0.01 0.00 0.00 64.34 63.86 3hhy n VAL 54 Cb 0.59 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3hhy n VAL 54 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hhy s THR 55 N 0.09 3.46 0.16 2.52 -4.23 -1.26 -4.93 115.64 111.44 3hhy s THR 55 Ca 0.70 -0.99 -0.15 0.00 -1.18 0.00 0.00 61.69 60.06 3hhy s THR 55 Cb -0.66 -3.18 0.03 0.00 1.34 0.00 0.00 72.50 70.03 3hhy s THR 55 CO 0.48 -0.07 1.80 1.88 -0.54 0.00 0.00 174.62 178.17 3hhy h TYR 56 N 0.74 0.44 -0.91 3.99 -1.99 -1.99 0.07 116.97 117.32 3hhy h TYR 56 Ca -0.42 0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.46 3hhy h TYR 56 Cb 1.27 -0.14 -0.09 0.00 2.00 0.00 0.00 36.73 39.77 3hhy h TYR 56 CO 0.41 0.25 0.52 -1.35 -0.00 0.00 0.00 178.16 177.99 3hhy h PRO 57 N 0.48 0.73 -0.56 4.88 0.11 -2.00 -0.61 132.00 135.03 3hhy h PRO 57 Ca 0.17 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 3hhy h PRO 57 Cb 0.03 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 3hhy h PRO 57 CO -0.09 0.48 -0.07 0.93 -0.21 0.00 0.00 178.00 179.05 3hhy h GLU 58 N 0.75 1.03 -0.53 1.05 5.08 -1.78 -2.12 114.58 118.06 3hhy h GLU 58 Ca 0.49 -0.36 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3hhy h GLU 58 Cb 0.64 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 3hhy h GLU 58 CO -0.33 1.05 0.35 -0.92 -1.00 0.00 0.00 179.01 178.16 3hhy h TYR 59 N 0.93 0.66 -0.82 4.33 3.20 -0.31 -0.35 116.97 124.61 3hhy h TYR 59 Ca 0.15 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 3hhy h TYR 59 Cb 0.63 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3hhy h TYR 59 CO 0.04 0.41 0.41 0.00 -1.64 0.00 0.00 178.16 177.38 3hhy h ARG 60 N 0.71 1.17 -0.32 1.82 3.08 -0.92 -0.36 114.38 119.56 3hhy h ARG 60 Ca 0.20 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3hhy h ARG 60 Cb -0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 3hhy h ARG 60 CO -0.05 0.89 0.16 0.28 -1.07 0.00 0.00 179.97 180.18 3hhy h VAL 61 N 1.15 1.15 -0.61 2.04 2.07 -0.90 -2.05 116.25 119.09 3hhy h VAL 61 Ca 0.28 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.39 3hhy h VAL 61 Cb 0.09 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3hhy h VAL 61 CO -0.04 0.15 0.40 0.15 0.02 0.00 0.00 177.57 178.26 3hhy h PHE 62 N 0.38 0.76 -0.17 1.57 -0.00 -0.63 -0.24 116.94 118.61 3hhy h PHE 62 Ca 0.11 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 58.12 3hhy h PHE 62 Cb 0.10 -0.26 -0.02 0.00 -0.00 0.00 0.00 35.95 35.78 3hhy h PHE 62 CO -0.02 0.47 0.04 -0.22 -0.00 0.00 0.00 178.31 178.58 3hhy h LYS 63 N 0.81 0.11 -0.29 1.11 3.64 -0.93 -0.18 116.57 120.84 3hhy h LYS 63 Ca 0.23 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 3hhy h LYS 63 Cb -0.08 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3hhy h LYS 63 CO -0.06 0.07 -0.14 0.37 -2.27 0.00 0.00 179.45 177.43 3hhy h GLN 64 N 0.12 0.49 -0.34 1.90 5.75 -1.02 -2.24 115.11 119.77 3hhy h GLN 64 Ca 0.07 -0.15 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 3hhy h GLN 64 Cb 0.06 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 3hhy h GLN 64 CO -0.09 0.63 -0.06 2.35 -2.65 0.00 0.00 178.83 179.00 3hhy h TRP 65 N 0.45 0.73 -0.48 3.99 7.01 -0.66 0.69 115.95 127.69 3hhy h TRP 65 Ca 0.08 -0.15 0.04 0.00 2.11 0.00 0.00 58.89 60.97 3hhy h TRP 65 Cb 0.51 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.35 3hhy h TRP 65 CO 0.02 0.80 0.24 -0.07 -2.79 0.00 0.00 178.44 176.64 3hhy h LEU 66 N 0.44 0.34 -0.31 0.65 3.38 -0.82 -0.35 115.31 118.64 3hhy h LEU 66 Ca 0.09 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3hhy h LEU 66 Cb 0.56 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3hhy h LEU 66 CO 0.03 0.24 0.06 0.40 0.09 0.00 0.00 178.44 179.26 3hhy h ILE 67 N 0.47 0.85 -0.85 1.22 2.04 -1.14 -2.66 117.51 117.43 3hhy h ILE 67 Ca 0.21 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.02 3hhy h ILE 67 Cb 0.12 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3hhy h ILE 67 CO -0.15 0.03 0.57 0.44 0.00 0.00 0.00 178.15 179.04 3hhy h ASP 68 N 0.18 0.96 -0.51 1.72 3.32 -0.35 -0.56 116.42 121.18 3hhy h ASP 68 Ca 0.15 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.19 3hhy h ASP 68 Cb 0.16 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3hhy h ASP 68 CO -0.19 0.69 0.32 0.58 -1.72 0.00 0.00 179.24 178.92 3hhy h VAL 69 N 1.13 1.10 -0.27 -1.35 2.07 -0.74 0.12 116.25 118.32 3hhy h VAL 69 Ca 0.32 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 3hhy h VAL 69 Cb -0.09 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3hhy h VAL 69 CO -0.08 0.12 -0.05 1.23 0.02 0.00 0.00 177.57 178.82 3hhy h GLY 70 N 0.66 0.55 1.81 2.17 0.00 -1.20 -0.24 103.07 106.83 3hhy h GLY 70 Ca 0.19 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3hhy h GLY 70 CO -0.06 0.41 -0.14 0.83 0.00 0.00 0.00 176.54 177.58 3hhy h GLU 71 N 0.27 0.23 -0.02 4.80 5.08 -0.86 -1.71 114.58 122.38 3hhy h GLU 71 Ca 0.07 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3hhy h GLU 71 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hhy h GLU 71 CO 0.02 0.38 0.00 0.41 -1.00 0.00 0.00 179.01 178.82 3hhy n GLY 72 N -0.86 -0.80 2.43 -3.84 0.00 0.40 -4.91 105.19 97.62 3hhy n GLY 72 Ca -0.01 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 3hhy n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhy n GLY 73 N 0.92 -0.07 1.67 -0.02 0.00 -0.64 -4.92 105.19 102.13 3hhy n GLY 73 Ca 0.18 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3hhy n GLY 73 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hhy n GLU 74 N -2.90 3.96 -0.06 1.61 1.02 -0.13 -4.57 120.64 119.57 3hhy n GLU 74 Ca -0.24 -2.96 -0.10 0.00 -0.02 0.00 0.00 57.16 53.84 3hhy n GLU 74 Cb 0.69 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 3hhy n GLU 74 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3hhy h TRP 75 N 4.15 0.32 -0.67 -0.32 4.06 -1.91 0.10 115.95 121.69 3hhy h TRP 75 Ca 0.00 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 60.99 3hhy h TRP 75 Cb 1.56 -0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 29.56 3hhy h TRP 75 CO 0.84 0.29 0.38 -1.35 -3.56 0.00 0.00 178.44 175.04 3hhy h PRO 76 N 0.25 0.69 0.20 0.49 0.11 -1.97 -0.47 132.00 131.31 3hhy h PRO 76 Ca 0.08 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3hhy h PRO 76 Cb 0.09 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3hhy h PRO 76 CO -0.01 0.46 -0.10 1.25 -0.21 0.00 0.00 178.00 179.39 3hhy h LEU 77 N 0.71 -0.23 -0.56 2.35 5.85 -1.81 -0.51 115.31 121.10 3hhy h LEU 77 Ca 0.29 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 3hhy h LEU 77 Cb 0.15 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hhy h LEU 77 CO -0.16 -0.12 0.22 0.15 -0.34 0.00 0.00 178.44 178.18 3hhy h PHE 78 N -0.32 0.86 -0.20 1.25 3.04 -0.67 -0.79 116.94 120.11 3hhy h PHE 78 Ca -0.03 -0.07 -0.11 0.00 3.98 0.00 0.00 57.97 61.74 3hhy h PHE 78 Cb 0.25 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 3hhy h PHE 78 CO -0.05 0.70 -0.30 -0.07 -2.02 0.00 0.00 178.31 176.57 3hhy h LEU 79 N 0.78 0.62 -1.42 0.59 3.38 -1.06 -0.60 115.31 117.59 3hhy h LEU 79 Ca 0.19 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3hhy h LEU 79 Cb 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hhy h LEU 79 CO -0.01 1.02 -0.10 0.44 0.09 0.00 0.00 178.44 179.87 3hhy h ASP 80 N 0.24 0.24 0.06 -0.43 3.32 -0.89 0.18 116.42 119.14 3hhy h ASP 80 Ca 0.02 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 3hhy h ASP 80 Cb 0.89 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.39 3hhy h ASP 80 CO 0.07 0.37 -0.61 0.58 -1.72 0.00 0.00 179.24 177.94 3hhy h VAL 81 N 0.24 1.51 0.00 -1.35 2.07 -1.01 -3.34 116.25 114.37 3hhy h VAL 81 Ca 0.05 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.29 3hhy h VAL 81 Cb 0.34 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 3hhy h VAL 81 CO 0.02 0.65 -1.25 0.49 0.02 0.00 0.00 177.57 177.49 3hhy n PHE 82 N -4.24 0.00 0.00 1.57 3.72 -0.25 -4.21 117.46 114.05 3hhy n PHE 82 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3hhy n PHE 82 Cb 0.70 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 3hhy n PHE 82 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hhy n ILE 83 N -1.72 0.00 -0.24 4.37 2.08 0.50 -4.85 119.36 119.50 3hhy n ILE 83 Ca 0.01 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.45 3hhy n ILE 83 Cb 0.36 -0.63 0.42 0.00 -0.75 0.00 0.00 39.64 39.04 3hhy n ILE 83 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 3hhy h GLU 84 N 0.00 0.59 -0.70 0.38 4.81 -1.32 -1.38 114.58 116.95 3hhy h GLU 84 Ca 0.00 -0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.36 3hhy h GLU 84 Cb 0.91 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 3hhy h GLU 84 CO 0.00 0.39 0.48 1.12 -0.73 0.00 0.00 179.01 180.27 3hhy h HIS 85 N 0.60 0.28 0.00 0.92 2.07 -1.83 0.14 115.15 117.34 3hhy h HIS 85 Ca 0.42 0.01 -0.19 0.00 -2.85 0.00 0.00 60.37 57.76 3hhy h HIS 85 Cb 0.76 -0.09 -0.01 0.00 2.57 0.00 0.00 27.41 30.64 3hhy h HIS 85 CO -0.00 0.10 -0.85 0.77 -3.07 0.00 0.00 177.93 174.88 3hhy h SER 86 N 0.23 0.19 -0.38 3.10 0.02 -1.61 -1.41 113.55 113.71 3hhy h SER 86 Ca 0.34 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 3hhy h SER 86 Cb 1.01 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3hhy h SER 86 CO -0.07 0.95 -0.10 0.58 -1.14 0.00 0.00 176.83 177.05 3hhy h VAL 87 N 0.08 1.28 -0.49 2.27 2.07 -0.81 -1.80 116.25 118.84 3hhy h VAL 87 Ca -0.03 -1.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 3hhy h VAL 87 Cb 1.48 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 3hhy h VAL 87 CO 0.13 0.39 -0.07 -0.08 0.02 0.00 0.00 177.57 177.96 3hhy h GLU 88 N 0.53 0.87 -0.47 1.57 4.22 -1.08 -2.37 114.58 117.86 3hhy h GLU 88 Ca 0.09 -0.28 0.03 0.00 0.08 0.00 0.00 59.36 59.29 3hhy h GLU 88 Cb 0.62 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3hhy h GLU 88 CO 0.04 0.91 0.31 1.49 -2.18 0.00 0.00 179.01 179.58 3hhy h GLU 89 N 0.79 0.51 0.15 1.92 4.81 -1.06 0.48 114.58 122.18 3hhy h GLU 89 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hhy h GLU 89 Cb 0.57 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hhy h GLU 89 CO 0.03 0.34 -0.07 0.28 -0.73 0.00 0.00 179.01 178.86 3hhy h VAL 90 N 0.52 0.98 -0.63 0.32 2.07 -0.91 -3.10 116.25 115.51 3hhy h VAL 90 Ca 0.19 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.21 3hhy h VAL 90 Cb 0.10 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3hhy h VAL 90 CO -0.05 0.13 0.42 0.25 0.02 0.00 0.00 177.57 178.34 3hhy h LEU 91 N -0.46 0.59 -1.61 2.57 5.85 -0.75 -2.21 115.31 119.30 3hhy h LEU 91 Ca -0.02 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3hhy h LEU 91 Cb 0.36 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3hhy h LEU 91 CO 0.03 0.39 0.28 0.00 -0.34 0.00 0.00 178.44 178.80 3hhy h ALA 92 N 1.65 1.73 -0.77 1.25 0.00 -0.04 -2.05 119.26 121.03 3hhy h ALA 92 Ca 0.26 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.26 3hhy h ALA 92 Cb 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3hhy h ALA 92 CO -0.08 0.24 0.50 0.00 0.00 0.00 0.00 179.25 179.92 3hhy h ARG 93 N 0.54 0.57 -0.15 0.00 3.08 -1.32 -2.59 114.38 114.51 3hhy h ARG 93 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hhy h ARG 93 Cb -0.02 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.90 3hhy h ARG 93 CO -0.04 0.38 0.00 -1.13 -1.07 0.00 0.00 179.97 178.11 3hhy n SER 94 N -4.50 1.39 -4.16 7.04 3.41 -0.77 -4.90 113.62 111.12 3hhy n SER 94 Ca 0.14 -1.68 -0.26 0.00 -0.26 0.00 0.00 58.87 56.81 3hhy n SER 94 Cb 0.41 -0.09 -0.16 0.00 -0.26 0.00 0.00 64.21 64.11 3hhy n SER 94 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hhy s ARG 95 N -1.82 1.73 -0.05 4.33 0.52 -0.98 -5.00 118.95 117.68 3hhy s ARG 95 Ca 0.31 -0.64 0.17 0.00 -0.52 0.00 0.00 55.73 55.05 3hhy s ARG 95 Cb 0.16 -1.55 -0.26 0.00 0.52 0.00 0.00 34.95 33.82 3hhy s ARG 95 CO 0.25 0.31 0.33 1.63 0.02 0.00 0.00 175.30 177.83 3hhy n LYS 96 N 2.95 0.69 0.00 3.54 5.02 -1.26 -4.99 118.16 124.11 3hhy n LYS 96 Ca -0.17 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 3hhy n LYS 96 Cb 0.53 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3hhy n LYS 96 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hhy n GLY 97 N 1.58 -2.16 3.76 0.72 0.00 -1.26 -4.95 105.19 102.88 3hhy n GLY 97 Ca -0.08 -1.40 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 3hhy n GLY 97 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hhy s THR 98 N -0.08 2.34 0.32 2.61 -1.32 -0.45 -4.89 115.64 114.17 3hhy s THR 98 Ca 0.00 0.27 -0.29 0.00 -1.21 0.00 0.00 61.69 60.46 3hhy s THR 98 Cb 0.00 -3.14 -0.12 0.00 -1.51 0.00 0.00 72.50 67.72 3hhy s THR 98 CO 0.00 0.01 1.37 0.23 -2.21 0.00 0.00 174.62 174.02 3hhy n MET 99 N -0.67 2.23 -2.36 7.08 0.00 -1.26 -4.95 117.12 117.18 3hhy n MET 99 Ca 0.08 0.78 -0.25 0.00 0.00 0.00 0.00 57.70 58.32 3hhy n MET 99 Cb 0.45 -2.42 0.10 0.00 0.00 0.00 0.00 33.22 31.35 3hhy n MET 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hhy s GLY 100 N -0.06 1.75 0.30 3.03 0.00 -1.26 -4.78 107.32 106.31 3hhy s GLY 100 Ca 0.59 -1.35 -0.10 0.00 0.00 0.00 0.00 44.72 43.86 3hhy s GLY 100 CO 0.58 -0.83 0.54 -0.45 0.00 0.00 0.00 173.10 172.94 3hhy s SER 101 N -4.66 0.26 0.64 1.64 0.15 -0.84 -4.81 113.70 106.08 3hhy s SER 101 Ca 0.65 -1.15 -0.18 0.00 0.70 0.00 0.00 55.95 55.97 3hhy s SER 101 Cb -0.07 0.66 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 3hhy s SER 101 CO 0.45 -1.29 1.23 2.30 1.20 0.00 0.00 173.24 177.13 3hhy n ILE 102 N -0.47 4.73 0.02 6.45 -5.35 -1.26 -4.32 119.36 119.16 3hhy n ILE 102 Ca -0.02 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.84 3hhy n ILE 102 Cb 0.61 -1.43 -0.00 0.00 -1.74 0.00 0.00 39.64 37.09 3hhy n ILE 102 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3hhy h GLU 103 N 0.52 0.56 0.00 6.28 4.81 -1.93 -3.44 114.58 121.38 3hhy h GLU 103 Ca -0.50 -0.44 0.22 0.00 -0.13 0.00 0.00 59.36 58.51 3hhy h GLU 103 Cb 1.35 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.76 3hhy h GLU 103 CO 0.53 1.06 -0.30 0.41 -0.73 0.00 0.00 179.01 179.98 3hhy n GLY 104 N 0.56 -1.77 0.55 1.92 0.00 -1.26 -4.55 105.19 100.64 3hhy n GLY 104 Ca -0.05 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.90 3hhy n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hhy n PRO 105 N -2.99 1.75 -0.27 1.61 -0.04 -1.26 -4.36 135.00 129.45 3hhy n PRO 105 Ca 0.01 -1.10 0.08 0.00 -0.04 0.00 0.00 63.50 62.44 3hhy n PRO 105 Cb 0.37 -1.47 0.22 0.00 -0.04 0.00 0.00 33.50 32.59 3hhy n PRO 105 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hhy n TYR 106 N 0.33 0.69 -2.39 0.54 4.02 -1.26 -4.99 117.16 114.09 3hhy n TYR 106 Ca 0.18 -0.52 -0.40 0.00 -0.01 0.00 0.00 57.90 57.16 3hhy n TYR 106 Cb 0.38 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.62 3hhy n TYR 106 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3hhy s TYR 107 N -1.11 3.37 -0.08 -0.72 5.04 -1.26 -5.04 117.35 117.55 3hhy s TYR 107 Ca 0.33 1.62 0.01 0.00 -2.44 0.00 0.00 57.07 56.59 3hhy s TYR 107 Cb 0.18 -3.35 0.02 0.00 0.35 0.00 0.00 41.96 39.16 3hhy s TYR 107 CO 0.21 -0.89 -0.09 0.42 -1.34 0.00 0.00 175.55 173.86 3hhy s ILE 108 N -1.26 0.99 0.73 3.14 -1.09 -1.26 -5.14 121.20 117.31 3hhy s ILE 108 Ca 0.49 -0.33 -0.14 0.00 -2.23 0.00 0.00 60.65 58.44 3hhy s ILE 108 Cb -0.32 -0.97 0.04 0.00 -1.58 0.00 0.00 42.46 39.63 3hhy s ILE 108 CO 0.41 0.34 1.14 -1.61 -1.23 0.00 0.00 174.94 173.99 3hhy s GLU 109 N 1.21 2.33 -1.22 2.79 2.02 -1.26 -4.12 118.70 120.46 3hhy s GLU 109 Ca -0.05 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.40 3hhy s GLU 109 Cb -0.14 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.20 3hhy s GLU 109 CO -0.02 -1.62 0.00 0.09 0.02 0.00 0.00 175.26 173.72 3hhy n ASN 110 N -2.90 -4.27 -4.67 -0.19 5.03 -1.26 -4.98 115.26 102.03 3hhy n ASN 110 Ca 0.11 0.09 -0.40 0.00 0.87 0.00 0.00 54.58 55.25 3hhy n ASN 110 Cb 0.52 -3.29 0.02 0.00 -1.02 0.00 0.00 39.78 36.00 3hhy n ASN 110 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3hhy n SER 111 N -0.41 1.96 -4.78 6.41 3.41 -1.26 -4.85 113.62 114.10 3hhy n SER 111 Ca -0.15 1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 59.09 3hhy n SER 111 Cb 0.56 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 3hhy n SER 111 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3hhy s PRO 112 N -2.27 4.03 0.38 4.33 0.02 -1.26 -3.68 135.00 136.55 3hhy s PRO 112 Ca 0.64 2.55 -0.26 0.00 0.02 0.00 0.00 61.00 63.96 3hhy s PRO 112 Cb -0.51 -2.91 -0.09 0.00 0.02 0.00 0.00 34.50 31.02 3hhy s PRO 112 CO 0.56 -0.59 1.15 -1.21 -0.33 0.00 0.00 177.00 176.58 3hhy s GLU 113 N -2.16 4.16 0.10 5.54 2.02 -1.26 -1.13 118.70 125.96 3hhy s GLU 113 Ca 0.54 1.82 0.05 0.00 0.02 0.00 0.00 54.97 57.40 3hhy s GLU 113 Cb -0.46 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 3hhy s GLU 113 CO 0.62 -0.22 -0.12 -0.51 0.02 0.00 0.00 175.26 175.05 3hhy s LEU 114 N -2.34 2.38 1.05 1.80 1.43 -0.08 -4.86 118.68 118.06 3hhy s LEU 114 Ca 0.55 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 3hhy s LEU 114 Cb -0.30 -0.43 0.22 0.00 0.03 0.00 0.00 46.19 45.71 3hhy s LEU 114 CO 0.38 -0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.70 3hhy s PRO 115 N -2.54 -0.00 0.40 1.29 0.04 -1.26 -1.00 135.00 131.93 3hhy s PRO 115 Ca 0.05 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.26 3hhy s PRO 115 Cb -0.05 -1.64 0.84 0.00 0.04 0.00 0.00 34.50 33.69 3hhy s PRO 115 CO 0.02 -3.18 1.99 0.66 0.04 0.00 0.00 177.00 176.52 3hhy h SER 116 N -2.24 0.34 -3.53 6.66 4.64 -1.80 -3.36 113.55 114.25 3hhy h SER 116 Ca -0.54 -0.04 -0.67 0.00 -0.47 0.00 0.00 61.79 60.07 3hhy h SER 116 Cb 1.30 -0.09 -0.31 0.00 -0.31 0.00 0.00 62.40 63.00 3hhy h SER 116 CO 0.48 0.35 -0.73 -1.59 -0.87 0.00 0.00 176.83 174.47 3hhy s LYS 117 N -5.09 2.84 0.21 4.77 -2.85 -1.26 -0.41 119.74 117.95 3hhy s LYS 117 Ca -0.07 -0.98 -0.20 0.00 -1.00 0.00 0.00 55.97 53.72 3hhy s LYS 117 Cb 0.16 -3.04 0.04 0.00 -2.06 0.00 0.00 37.83 32.93 3hhy s LYS 117 CO 0.73 -0.41 0.61 0.00 0.10 0.00 0.00 175.35 176.37 3hhy s THR 119 N -3.85 2.63 0.67 0.00 -1.32 -1.26 -0.31 115.64 112.20 3hhy s THR 119 Ca 0.08 -0.97 -0.16 0.00 -1.21 0.00 0.00 61.69 59.43 3hhy s THR 119 Cb -0.03 -2.01 0.01 0.00 -1.51 0.00 0.00 72.50 68.96 3hhy s THR 119 CO -0.02 0.53 1.16 -0.76 -2.21 0.00 0.00 174.62 173.32 3hhy s LEU 120 N -0.84 3.41 0.31 9.08 1.43 -0.24 -4.93 118.68 126.90 3hhy s LEU 120 Ca 0.12 2.20 -0.29 0.00 -1.03 0.00 0.00 54.13 55.12 3hhy s LEU 120 Cb -0.10 -4.57 -0.12 0.00 0.03 0.00 0.00 46.19 41.43 3hhy s LEU 120 CO 0.01 -1.86 1.55 -2.65 0.23 0.00 0.00 176.35 173.63 3hhy n PRO 121 N -2.38 2.64 -3.86 1.29 -0.02 -1.26 -4.83 135.00 126.58 3hhy n PRO 121 Ca 0.12 0.94 -0.09 0.00 -2.02 0.00 0.00 63.50 62.44 3hhy n PRO 121 Cb 0.51 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 3hhy n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhy s MET 122 N -0.97 1.41 0.56 -0.52 0.23 -1.26 -0.53 119.30 118.23 3hhy s MET 122 Ca 0.61 -1.03 -0.03 0.00 -1.03 0.00 0.00 55.69 54.21 3hhy s MET 122 Cb -0.50 0.49 0.02 0.00 -1.53 0.00 0.00 34.83 33.30 3hhy s MET 122 CO 0.53 -0.59 0.83 1.03 -2.03 0.00 0.00 175.02 174.80 3hhy s ARG 123 N -3.93 2.81 0.31 3.16 0.52 -1.26 -4.95 118.95 115.60 3hhy s ARG 123 Ca 0.14 -0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 3hhy s ARG 123 Cb -0.00 -2.37 0.60 0.00 0.52 0.00 0.00 34.95 33.70 3hhy s ARG 123 CO 0.02 -0.65 1.87 0.93 0.02 0.00 0.00 175.30 177.49 3hhy h GLU 124 N -0.04 0.92 -0.95 3.54 5.08 -2.02 -1.16 114.58 119.95 3hhy h GLU 124 Ca -0.45 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 57.91 3hhy h GLU 124 Cb 1.27 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 3hhy h GLU 124 CO 0.58 0.61 0.61 0.93 -1.00 0.00 0.00 179.01 180.74 3hhy h GLU 125 N 0.95 1.11 0.00 2.33 3.07 -2.02 -1.97 114.58 118.05 3hhy h GLU 125 Ca 0.44 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.17 3hhy h GLU 125 Cb 0.41 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3hhy h GLU 125 CO -0.20 0.74 -0.32 -0.44 -1.40 0.00 0.00 179.01 177.38 3hhy h ASP 126 N 1.14 0.00 0.45 1.42 3.45 -1.60 -2.76 116.42 118.53 3hhy h ASP 126 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3hhy h ASP 126 Cb 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3hhy h ASP 126 CO -0.15 0.32 0.00 -0.62 -1.57 0.00 0.00 179.24 177.22 3hhy n GLU 127 N -3.86 0.04 0.00 3.56 1.02 -0.74 -1.67 120.64 118.98 3hhy n GLU 127 Ca -0.01 0.33 0.14 0.00 -0.02 0.00 0.00 57.16 57.60 3hhy n GLU 127 Cb 0.40 -1.58 0.65 0.00 -0.02 0.00 0.00 31.44 30.89 3hhy n GLU 127 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hhy n LYS 128 N -1.65 0.20 -3.79 3.49 3.00 -1.04 -4.88 118.16 113.49 3hhy n LYS 128 Ca 0.03 -0.01 -0.34 0.00 -0.00 0.00 0.00 58.31 57.98 3hhy n LYS 128 Cb 0.15 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.63 3hhy n LYS 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3hhy s ILE 129 N -2.81 5.33 0.02 3.15 -1.09 -0.67 -5.04 121.20 120.09 3hhy s ILE 129 Ca 0.20 0.08 -0.35 0.00 -2.23 0.00 0.00 60.65 58.35 3hhy s ILE 129 Cb 0.19 -3.56 -0.14 0.00 -1.58 0.00 0.00 42.46 37.37 3hhy s ILE 129 CO 0.51 0.34 1.63 0.35 -1.23 0.00 0.00 174.94 176.54 3hhy n THR 130 N 1.01 0.20 -1.81 2.92 -2.24 -1.26 -4.83 114.28 108.27 3hhy n THR 130 Ca -0.11 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 3hhy n THR 130 Cb 0.53 -1.44 0.05 0.00 -2.10 0.00 0.00 70.33 67.37 3hhy n THR 130 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3hhy s PRO 131 N 2.00 2.76 -0.14 -0.78 0.02 -1.26 -1.67 135.00 135.93 3hhy s PRO 131 Ca 0.86 1.60 0.01 0.00 0.02 0.00 0.00 61.00 63.49 3hhy s PRO 131 Cb -0.79 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 31.82 3hhy s PRO 131 CO 0.47 -1.32 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.47 3hhy s LEU 132 N -4.61 1.89 -0.29 -5.54 2.96 -0.27 -1.47 118.68 111.34 3hhy s LEU 132 Ca 0.72 -0.53 -0.06 0.00 -0.22 0.00 0.00 54.13 54.04 3hhy s LEU 132 Cb -0.25 -1.28 0.01 0.00 0.50 0.00 0.00 46.19 45.18 3hhy s LEU 132 CO 0.38 0.01 0.06 -0.69 -1.32 0.00 0.00 176.35 174.80 3hhy s VAL 133 N 1.13 3.83 -0.30 1.68 1.01 0.57 -0.70 120.40 127.62 3hhy s VAL 133 Ca -0.02 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3hhy s VAL 133 Cb -0.14 -2.97 0.05 0.00 0.00 0.00 0.00 36.38 33.31 3hhy s VAL 133 CO -0.06 0.09 -0.00 0.12 0.00 0.00 0.00 175.10 175.25 3hhy s PHE 134 N 1.48 3.24 0.25 5.22 5.36 0.31 -1.33 117.98 132.51 3hhy s PHE 134 Ca 0.02 -1.80 0.11 0.00 -0.96 0.00 0.00 56.93 54.30 3hhy s PHE 134 Cb -0.17 -2.11 -0.05 0.00 -0.34 0.00 0.00 43.02 40.35 3hhy s PHE 134 CO 0.02 -0.79 -0.18 -1.12 -1.46 0.00 0.00 175.22 171.69 3hhy s SER 135 N 1.27 3.72 0.00 6.13 0.01 -0.43 0.15 113.70 124.55 3hhy s SER 135 Ca -0.04 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.31 3hhy s SER 135 Cb -0.19 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.65 3hhy s SER 135 CO -0.01 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.31 3hhy n GLY 136 N -0.39 -1.02 2.95 3.44 0.00 -0.95 -0.77 105.19 108.45 3hhy n GLY 136 Ca -0.07 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 3hhy n GLY 136 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hhy s GLN 137 N -1.51 0.26 -0.18 1.61 0.74 -1.26 -1.80 119.66 117.52 3hhy s GLN 137 Ca 0.00 -0.32 -0.19 0.00 0.05 0.00 0.00 55.36 54.90 3hhy s GLN 137 Cb 0.00 -0.10 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 3hhy s GLN 137 CO 0.00 0.02 0.54 0.08 -0.55 0.00 0.00 175.29 175.38 3hhy s VAL 138 N -0.64 5.10 0.20 1.34 1.01 0.33 -0.90 120.40 126.85 3hhy s VAL 138 Ca -0.05 1.03 0.03 0.00 0.00 0.00 0.00 61.98 62.99 3hhy s VAL 138 Cb -0.05 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3hhy s VAL 138 CO -0.00 0.19 -0.02 0.42 0.00 0.00 0.00 175.10 175.69 3hhy s THR 139 N 1.46 0.99 0.36 3.92 -4.23 0.12 -0.62 115.64 117.65 3hhy s THR 139 Ca 0.26 -2.03 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 3hhy s THR 139 Cb -0.16 -2.19 0.08 0.00 1.34 0.00 0.00 72.50 71.58 3hhy s THR 139 CO 0.10 -0.45 0.49 -0.90 -0.54 0.00 0.00 174.62 173.32 3hhy n ASP 140 N -0.33 0.05 0.20 3.99 5.68 0.49 -0.44 116.55 126.18 3hhy n ASP 140 Ca -0.06 -1.18 0.15 0.00 -0.50 0.00 0.00 54.79 53.19 3hhy n ASP 140 Cb 0.63 -0.37 0.63 0.00 -1.14 0.00 0.00 41.12 40.87 3hhy n ASP 140 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 3hhy h LEU 141 N 0.00 0.00 0.00 -2.12 4.07 -1.90 -1.92 115.31 113.44 3hhy h LEU 141 Ca -0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.80 3hhy h LEU 141 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3hhy h LEU 141 CO 0.11 0.00 -0.67 0.47 -1.08 0.00 0.00 178.44 177.27 3hhy n ASP 142 N -2.62 0.65 0.00 -0.43 8.00 -1.26 -4.94 116.55 115.96 3hhy n ASP 142 Ca 0.01 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3hhy n ASP 142 Cb 0.23 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 3hhy n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hhy n GLY 143 N 1.49 0.94 3.71 0.44 0.00 -0.72 -5.09 105.19 105.96 3hhy n GLY 143 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hhy n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hhy s ASN 144 N -2.03 7.27 0.30 1.61 -0.87 -1.26 -4.78 114.94 115.18 3hhy s ASN 144 Ca 0.00 1.79 -0.29 0.00 -1.57 0.00 0.00 52.86 52.79 3hhy s ASN 144 Cb 0.00 -2.57 -0.10 0.00 -0.02 0.00 0.00 41.25 38.56 3hhy s ASN 144 CO 0.00 -0.33 1.24 -0.83 -2.57 0.00 0.00 177.10 174.62 3hhy s GLY 145 N 0.98 2.95 -0.15 0.66 0.00 -1.26 -0.38 107.32 110.12 3hhy s GLY 145 Ca 0.54 1.13 -0.04 0.00 0.00 0.00 0.00 44.72 46.35 3hhy s GLY 145 CO 0.29 1.80 -0.01 1.08 0.00 0.00 0.00 173.10 176.26 3hhy s LEU 146 N -1.45 3.40 0.33 0.66 1.43 0.21 -4.77 118.68 118.49 3hhy s LEU 146 Ca 0.49 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.49 3hhy s LEU 146 Cb -0.37 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3hhy s LEU 146 CO 0.47 0.20 0.60 0.00 0.23 0.00 0.00 176.35 177.85 3hhy s ALA 147 N 0.19 3.59 0.00 4.21 0.00 -1.26 -2.32 121.76 126.16 3hhy s ALA 147 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3hhy s ALA 147 Cb -0.13 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3hhy s ALA 147 CO 0.02 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.30 3hhy n GLY 148 N -1.27 0.44 3.79 0.00 0.00 -1.26 -4.61 105.19 102.28 3hhy n GLY 148 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3hhy n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhy s ALA 149 N -1.91 3.30 0.06 4.61 0.00 -1.26 -4.42 121.76 122.15 3hhy s ALA 149 Ca 0.00 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.44 3hhy s ALA 149 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3hhy s ALA 149 CO 0.00 0.23 -0.18 0.15 0.00 0.00 0.00 175.76 175.97 3hhy s LYS 150 N -1.87 1.07 -0.27 0.00 1.02 -0.28 -1.06 119.74 118.36 3hhy s LYS 150 Ca 0.46 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.51 3hhy s LYS 150 Cb -0.19 -1.17 0.07 0.00 -0.52 0.00 0.00 37.83 36.02 3hhy s LYS 150 CO 0.24 0.28 -0.03 0.08 -0.92 0.00 0.00 175.35 175.00 3hhy s VAL 151 N -1.01 1.77 -0.17 3.17 1.01 0.70 -1.74 120.40 124.12 3hhy s VAL 151 Ca 0.04 -1.56 -0.21 0.00 0.00 0.00 0.00 61.98 60.25 3hhy s VAL 151 Cb -0.09 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3hhy s VAL 151 CO 0.02 -0.24 0.61 -1.61 0.00 0.00 0.00 175.10 173.89 3hhy s GLU 152 N 1.25 4.25 -0.03 2.72 2.02 0.00 0.31 118.70 129.23 3hhy s GLU 152 Ca -0.02 0.61 0.04 0.00 0.02 0.00 0.00 54.97 55.63 3hhy s GLU 152 Cb -0.19 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.49 3hhy s GLU 152 CO -0.08 -0.15 -0.16 -1.17 0.02 0.00 0.00 175.26 173.72 3hhy s LEU 153 N 1.60 1.95 -0.04 1.80 2.96 -0.45 -0.58 118.68 125.91 3hhy s LEU 153 Ca 0.29 -0.31 -0.21 0.00 -0.22 0.00 0.00 54.13 53.68 3hhy s LEU 153 Cb -0.16 -0.88 0.04 0.00 0.50 0.00 0.00 46.19 45.69 3hhy s LEU 153 CO 0.11 0.17 0.46 -1.66 -1.32 0.00 0.00 176.35 174.11 3hhy s TRP 154 N -0.12 -0.38 0.19 5.38 -2.14 -0.58 -2.13 118.94 119.15 3hhy s TRP 154 Ca 0.00 0.66 -0.23 0.00 2.66 0.00 0.00 56.10 59.20 3hhy s TRP 154 Cb -0.09 0.22 0.07 0.00 -3.10 0.00 0.00 33.47 30.56 3hhy s TRP 154 CO 0.01 -0.46 0.96 -3.38 -2.66 0.00 0.00 176.95 171.42 3hhy s HIS 155 N -1.15 -0.05 0.44 1.66 -3.43 -1.09 -1.57 115.29 110.11 3hhy s HIS 155 Ca -0.12 -0.33 -0.13 0.00 -0.80 0.00 0.00 55.06 53.69 3hhy s HIS 155 Cb -0.03 0.68 -0.07 0.00 -1.43 0.00 0.00 32.58 31.73 3hhy s HIS 155 CO 0.06 -0.94 0.84 0.00 -2.00 0.00 0.00 174.74 172.70 3hhy s ALA 156 N -2.88 3.25 0.93 -1.38 0.00 -1.26 -4.75 121.76 115.67 3hhy s ALA 156 Ca 0.15 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 3hhy s ALA 156 Cb -0.02 -2.85 0.19 0.00 0.00 0.00 0.00 23.12 20.44 3hhy s ALA 156 CO 0.04 -0.08 1.28 0.16 0.00 0.00 0.00 175.76 177.16 3hhy s ASP 157 N -3.10 3.30 0.45 0.00 3.84 -0.33 -4.72 116.67 116.10 3hhy s ASP 157 Ca 0.54 0.19 0.31 0.00 -0.00 0.00 0.00 52.55 53.59 3hhy s ASP 157 Cb -0.10 -0.29 1.43 0.00 -1.38 0.00 0.00 42.92 42.58 3hhy s ASP 157 CO 0.31 -2.61 1.93 -1.13 -0.00 0.00 0.00 175.17 173.67 3hhy h ASN 158 N -1.49 0.00 0.58 2.11 -1.24 -1.90 -0.94 115.58 112.70 3hhy h ASN 158 Ca -0.43 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.58 3hhy h ASN 158 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 3hhy h ASN 158 CO 0.39 0.00 -0.15 0.47 -1.29 0.00 0.00 177.43 176.85 3hhy n ASP 159 N -2.71 0.31 0.00 1.15 10.43 -1.26 -4.95 116.55 119.52 3hhy n ASP 159 Ca 0.00 -0.18 0.00 0.00 2.57 0.00 0.00 54.79 57.18 3hhy n ASP 159 Cb 0.20 -0.14 0.00 0.00 1.84 0.00 0.00 41.12 43.02 3hhy n ASP 159 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hhy n GLY 160 N 1.38 0.87 3.41 0.44 0.00 -0.36 -5.07 105.19 105.87 3hhy n GLY 160 Ca 0.11 -0.55 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 3hhy n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hhy s TYR 161 N -2.00 2.49 -0.13 1.61 1.51 -1.25 -4.83 117.35 114.75 3hhy s TYR 161 Ca 0.00 -0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 55.69 3hhy s TYR 161 Cb 0.00 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3hhy s TYR 161 CO 0.00 0.17 0.10 0.71 -1.11 0.00 0.00 175.55 175.41 3hhy s TYR 162 N -0.82 3.42 0.50 2.71 1.51 -1.26 -1.19 117.35 122.22 3hhy s TYR 162 Ca 0.13 0.35 -0.23 0.00 -1.01 0.00 0.00 57.07 56.31 3hhy s TYR 162 Cb -0.10 -1.96 -0.07 0.00 -0.11 0.00 0.00 41.96 39.71 3hhy s TYR 162 CO 0.03 0.52 1.34 -1.13 -1.11 0.00 0.00 175.55 175.20 3hhy n SER 163 N 2.49 2.74 0.00 2.29 3.41 -1.26 -0.99 113.62 122.29 3hhy n SER 163 Ca -0.19 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 3hhy n SER 163 Cb 0.54 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 3hhy n SER 163 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhy n GLN 164 N -0.56 -0.06 -0.93 4.33 6.02 -1.26 -4.79 117.38 120.13 3hhy n GLN 164 Ca 0.08 0.02 0.05 0.00 -0.01 0.00 0.00 57.00 57.14 3hhy n GLN 164 Cb 0.43 -3.18 0.10 0.00 1.02 0.00 0.00 30.24 28.61 3hhy n GLN 164 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hhy n PHE 165 N -2.07 0.00 -3.16 1.08 3.01 -0.17 -4.96 117.46 111.20 3hhy n PHE 165 Ca 0.00 -0.87 0.05 0.00 1.01 0.00 0.00 57.45 57.64 3hhy n PHE 165 Cb 0.02 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 39.29 3hhy n PHE 165 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hhy s ALA 166 N -1.48 -2.86 0.65 4.37 0.00 -1.20 -4.64 121.76 116.60 3hhy s ALA 166 Ca 0.32 1.65 0.40 0.00 0.00 0.00 0.00 51.96 54.33 3hhy s ALA 166 Cb 0.33 -2.33 2.22 0.00 0.00 0.00 0.00 23.12 23.34 3hhy s ALA 166 CO -0.10 -1.38 2.30 -1.35 0.00 0.00 0.00 175.76 175.23 3hhy h PRO 167 N 7.99 0.00 0.00 0.00 0.11 -1.93 -2.50 132.00 135.67 3hhy h PRO 167 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3hhy h PRO 167 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hhy h PRO 167 CO 0.08 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.48 3hhy n HIS 168 N -3.23 0.31 -3.86 0.65 1.44 -1.26 -4.89 115.22 104.38 3hhy n HIS 168 Ca -0.03 0.11 -0.36 0.00 -2.01 0.00 0.00 57.72 55.43 3hhy n HIS 168 Cb 0.12 -0.68 -0.07 0.00 0.12 0.00 0.00 29.99 29.48 3hhy n HIS 168 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3hhy s LEU 169 N -3.55 4.33 0.42 2.39 1.43 -0.94 -5.06 118.68 117.70 3hhy s LEU 169 Ca 0.08 0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 53.33 3hhy s LEU 169 Cb 0.12 -2.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.17 3hhy s LEU 169 CO 0.39 0.36 1.26 -2.65 0.23 0.00 0.00 176.35 175.93 3hhy n PRO 170 N 2.34 1.89 0.30 1.29 -0.02 -1.26 -4.62 135.00 134.92 3hhy n PRO 170 Ca -0.19 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.15 3hhy n PRO 170 Cb 0.54 -2.36 0.96 0.00 -0.02 0.00 0.00 33.50 32.62 3hhy n PRO 170 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3hhy h GLU 171 N 2.05 0.00 -0.15 -0.52 4.11 -1.96 -1.22 114.58 116.90 3hhy h GLU 171 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.93 3hhy h GLU 171 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3hhy h GLU 171 CO 0.60 0.03 -0.06 0.91 0.07 0.00 0.00 179.01 180.56 3hhy n TRP 172 N -3.30 0.50 -1.68 2.06 7.02 -1.26 -4.34 117.44 116.44 3hhy n TRP 172 Ca -0.02 -1.09 -0.46 0.00 -1.02 0.00 0.00 57.50 54.92 3hhy n TRP 172 Cb 0.16 -0.27 -0.04 0.00 -2.42 0.00 0.00 31.31 28.74 3hhy n TRP 172 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3hhy n ASN 173 N -1.02 3.61 -3.18 -0.99 2.85 -0.46 -1.47 115.26 114.60 3hhy n ASN 173 Ca 0.21 0.99 -0.22 0.00 -0.11 0.00 0.00 54.58 55.44 3hhy n ASN 173 Cb 0.79 -1.44 0.05 0.00 1.24 0.00 0.00 39.78 40.43 3hhy n ASN 173 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3hhy n LEU 174 N 5.88 -2.98 -3.91 1.20 4.77 0.31 -4.33 117.00 117.94 3hhy n LEU 174 Ca 0.20 -0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 55.66 3hhy n LEU 174 Cb 0.33 -2.93 -0.14 0.00 -2.33 0.00 0.00 43.42 38.34 3hhy n LEU 174 CO 0.69 0.41 -0.38 -0.13 -1.33 0.00 0.00 177.39 176.65 3hhy s ARG 175 N -5.94 0.18 -0.16 3.23 0.52 -0.54 -2.68 118.95 113.57 3hhy s ARG 175 Ca 0.42 -0.11 -0.31 0.00 -0.52 0.00 0.00 55.73 55.21 3hhy s ARG 175 Cb -0.18 -0.16 0.14 0.00 0.52 0.00 0.00 34.95 35.26 3hhy s ARG 175 CO 0.52 0.04 1.08 0.20 0.02 0.00 0.00 175.30 177.15 3hhy s GLY 176 N -0.13 -0.24 -0.37 -3.53 0.00 -0.91 -4.37 107.32 97.76 3hhy s GLY 176 Ca 0.00 1.93 -0.06 0.00 0.00 0.00 0.00 44.72 46.59 3hhy s GLY 176 CO -0.00 0.85 0.15 -1.08 0.00 0.00 0.00 173.10 173.02 3hhy s THR 177 N -1.64 3.71 -0.19 0.90 -1.32 -0.29 -1.34 115.64 115.47 3hhy s THR 177 Ca 0.03 -1.42 -0.28 0.00 -1.21 0.00 0.00 61.69 58.81 3hhy s THR 177 Cb -0.01 -3.24 -0.00 0.00 -1.51 0.00 0.00 72.50 67.75 3hhy s THR 177 CO -0.03 -0.36 0.98 -0.63 -2.21 0.00 0.00 174.62 172.37 3hhy s ILE 178 N 1.34 4.76 -0.50 5.08 1.09 0.15 -0.91 121.20 132.20 3hhy s ILE 178 Ca 0.01 1.93 -0.26 0.00 -1.10 0.00 0.00 60.65 61.22 3hhy s ILE 178 Cb -0.21 -4.27 0.03 0.00 -1.06 0.00 0.00 42.46 36.95 3hhy s ILE 178 CO 0.01 -0.09 1.02 -0.63 -0.10 0.00 0.00 174.94 175.15 3hhy s ILE 179 N 2.67 4.32 0.94 2.92 -1.09 -0.17 -0.21 121.20 130.57 3hhy s ILE 179 Ca 0.43 0.79 -0.11 0.00 -2.23 0.00 0.00 60.65 59.54 3hhy s ILE 179 Cb -0.16 -4.55 0.16 0.00 -1.58 0.00 0.00 42.46 36.33 3hhy s ILE 179 CO 0.10 -1.02 1.10 0.00 -1.23 0.00 0.00 174.94 173.90 3hhy s ALA 180 N 4.16 1.21 0.91 9.38 0.00 -0.22 -2.39 121.76 134.81 3hhy s ALA 180 Ca 0.39 0.20 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 3hhy s ALA 180 Cb -0.09 -3.31 0.13 0.00 0.00 0.00 0.00 23.12 19.85 3hhy s ALA 180 CO 0.26 -2.72 0.78 -0.40 0.00 0.00 0.00 175.76 173.69 3hhy n ASP 181 N -4.17 0.24 0.18 0.00 5.68 -0.10 -4.67 116.55 113.72 3hhy n ASP 181 Ca 0.08 -1.39 0.13 0.00 -0.50 0.00 0.00 54.79 53.11 3hhy n ASP 181 Cb 0.54 -0.58 0.66 0.00 -1.14 0.00 0.00 41.12 40.59 3hhy n ASP 181 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hhy h GLU 182 N 0.00 0.00 -0.01 0.11 3.07 -1.90 0.19 114.58 116.04 3hhy h GLU 182 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3hhy h GLU 182 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 3hhy h GLU 182 CO 0.20 0.00 -0.51 0.39 -1.40 0.00 0.00 179.01 177.68 3hhy n GLU 183 N -2.40 1.04 -0.59 2.33 -0.58 -1.26 -4.01 120.64 115.17 3hhy n GLU 183 Ca -0.01 -0.84 0.00 0.00 -0.42 0.00 0.00 57.16 55.89 3hhy n GLU 183 Cb 0.09 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 3hhy n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hhy n GLY 184 N 1.42 0.69 3.91 0.62 0.00 0.67 -3.45 105.19 109.06 3hhy n GLY 184 Ca 0.09 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 3hhy n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hhy s ARG 185 N -0.60 3.60 0.02 1.61 0.52 -1.26 -0.51 118.95 122.33 3hhy s ARG 185 Ca 0.00 -0.03 -0.15 0.00 -0.52 0.00 0.00 55.73 55.03 3hhy s ARG 185 Cb 0.00 -2.62 0.02 0.00 0.52 0.00 0.00 34.95 32.87 3hhy s ARG 185 CO 0.00 0.16 0.32 1.52 0.02 0.00 0.00 175.30 177.32 3hhy s TYR 186 N -2.20 -0.15 -0.24 -0.53 1.13 -0.74 -0.92 117.35 113.70 3hhy s TYR 186 Ca 0.44 0.10 -0.03 0.00 -1.41 0.00 0.00 57.07 56.16 3hhy s TYR 186 Cb -0.10 0.11 0.10 0.00 -1.10 0.00 0.00 41.96 40.97 3hhy s TYR 186 CO 0.32 -0.48 0.19 -2.00 -2.51 0.00 0.00 175.55 171.08 3hhy s GLU 187 N -2.15 0.20 -0.21 -3.49 2.12 0.45 -2.24 118.70 113.38 3hhy s GLU 187 Ca -0.08 -0.15 -0.03 0.00 0.36 0.00 0.00 54.97 55.07 3hhy s GLU 187 Cb -0.02 -1.17 -0.00 0.00 0.26 0.00 0.00 34.13 33.19 3hhy s GLU 187 CO -0.01 -0.86 -0.08 0.42 -0.54 0.00 0.00 175.26 174.19 3hhy s ILE 188 N 2.23 3.05 -0.17 -3.70 1.01 0.12 -1.52 121.20 122.23 3hhy s ILE 188 Ca 0.07 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 3hhy s ILE 188 Cb -0.15 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.91 3hhy s ILE 188 CO -0.24 0.46 0.14 0.28 0.00 0.00 0.00 174.94 175.57 3hhy s THR 189 N 1.38 5.44 0.00 2.92 -1.32 0.58 -0.53 115.64 124.10 3hhy s THR 189 Ca 0.05 0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 3hhy s THR 189 Cb -0.14 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 3hhy s THR 189 CO -0.05 0.51 0.00 1.07 -2.21 0.00 0.00 174.62 173.93 3hhy n THR 190 N 2.95 0.00 -3.96 5.08 5.66 0.12 -1.08 114.28 123.05 3hhy n THR 190 Ca -0.17 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.55 3hhy n THR 190 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 3hhy n THR 190 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3hhy s ILE 191 N -1.18 5.19 -0.24 1.09 -4.36 -1.26 -1.12 121.20 119.32 3hhy s ILE 191 Ca 0.00 -0.68 -0.29 0.00 -0.26 0.00 0.00 60.65 59.42 3hhy s ILE 191 Cb 0.00 -3.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.04 3hhy s ILE 191 CO 0.00 -0.04 1.76 -1.58 0.24 0.00 0.00 174.94 175.32 3hhy s GLN 192 N -3.04 3.59 0.66 0.37 2.00 -0.67 -4.62 119.66 117.94 3hhy s GLN 192 Ca 0.34 1.67 -0.18 0.00 -2.00 0.00 0.00 55.36 55.19 3hhy s GLN 192 Cb -0.11 -4.13 -0.01 0.00 0.80 0.00 0.00 33.01 29.56 3hhy s GLN 192 CO 0.27 -1.55 1.25 -2.30 -0.50 0.00 0.00 175.29 172.46 3hhy n PRO 193 N 8.04 1.02 -4.48 1.67 -0.02 -1.26 -4.89 135.00 135.08 3hhy n PRO 193 Ca 0.21 0.41 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 3hhy n PRO 193 Cb 0.45 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 3hhy n PRO 193 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhy s ALA 194 N -1.45 2.67 0.61 3.55 0.00 -1.26 -4.79 121.76 121.09 3hhy s ALA 194 Ca 0.82 -1.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.64 3hhy s ALA 194 Cb -0.38 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3hhy s ALA 194 CO 0.42 0.08 0.83 -2.30 0.00 0.00 0.00 175.76 174.79 3hhy n PRO 195 N -0.66 0.73 -4.09 0.00 -0.02 -1.26 -4.14 135.00 125.56 3hhy n PRO 195 Ca -0.05 0.29 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 3hhy n PRO 195 Cb 0.62 -2.04 -0.16 0.00 -0.02 0.00 0.00 33.50 31.91 3hhy n PRO 195 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hhy s TYR 196 N -1.60 2.91 -0.17 6.00 6.14 -0.71 -4.81 117.35 125.11 3hhy s TYR 196 Ca 0.74 -1.73 -0.20 0.00 0.64 0.00 0.00 57.07 56.52 3hhy s TYR 196 Cb -0.41 -1.94 -0.03 0.00 0.42 0.00 0.00 41.96 39.99 3hhy s TYR 196 CO 0.49 -0.80 0.59 -1.14 0.64 0.00 0.00 175.55 175.33 3hhy s GLN 197 N 1.27 4.25 0.61 4.97 0.74 -1.26 -0.35 119.66 129.89 3hhy s GLN 197 Ca 0.02 0.57 -0.15 0.00 0.05 0.00 0.00 55.36 55.85 3hhy s GLN 197 Cb -0.15 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 3hhy s GLN 197 CO -0.10 -0.12 1.06 0.96 -0.55 0.00 0.00 175.29 176.54 3hhy s ILE 198 N 1.52 3.76 0.04 -2.34 -4.36 -0.58 -4.90 121.20 114.34 3hhy s ILE 198 Ca 0.28 0.80 -0.34 0.00 -0.26 0.00 0.00 60.65 61.14 3hhy s ILE 198 Cb -0.16 -3.35 -0.13 0.00 1.25 0.00 0.00 42.46 40.08 3hhy s ILE 198 CO 0.11 -0.52 1.72 -2.65 0.24 0.00 0.00 174.94 173.84 3hhy n PRO 199 N -2.20 2.17 -0.02 0.37 -0.02 -1.26 -4.86 135.00 129.18 3hhy n PRO 199 Ca 0.09 0.79 0.05 0.00 -2.02 0.00 0.00 63.50 62.41 3hhy n PRO 199 Cb 0.53 -2.60 0.05 0.00 -0.02 0.00 0.00 33.50 31.46 3hhy n PRO 199 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hhy n THR 200 N 4.25 0.13 1.03 3.45 -2.24 -1.26 -3.93 114.28 115.71 3hhy n THR 200 Ca 0.20 -0.57 0.10 0.00 -2.27 0.00 0.00 64.05 61.51 3hhy n THR 200 Cb 0.29 1.11 0.53 0.00 -2.10 0.00 0.00 70.33 70.16 3hhy n THR 200 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hhy n ASP 201 N 0.53 0.00 -0.73 3.42 5.75 -1.26 -4.32 116.55 119.94 3hhy n ASP 201 Ca 0.06 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 3hhy n ASP 201 Cb 0.26 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3hhy n ASP 201 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hhy n GLY 202 N 0.35 5.55 0.26 6.12 0.00 -1.26 -5.00 105.19 111.20 3hhy n GLY 202 Ca 0.11 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.35 3hhy n GLY 202 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hhy h PRO 203 N 0.00 0.00 -0.09 1.61 0.11 -1.90 -0.61 132.00 131.13 3hhy h PRO 203 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3hhy h PRO 203 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hhy h PRO 203 CO 0.00 0.06 -0.21 1.15 -0.21 0.00 0.00 178.00 178.79 3hhy h THR 204 N 0.00 1.41 -0.89 -1.15 2.02 -1.92 -0.46 112.91 111.91 3hhy h THR 204 Ca -0.00 -1.54 0.10 0.00 0.77 0.00 0.00 66.41 65.73 3hhy h THR 204 Cb 0.12 2.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.65 3hhy h THR 204 CO 0.01 0.44 0.54 1.23 0.37 0.00 0.00 175.52 178.10 3hhy h GLY 205 N -0.17 1.40 1.02 2.16 0.00 -1.42 -1.97 103.07 104.08 3hhy h GLY 205 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3hhy h GLY 205 CO 0.05 0.17 0.11 -1.61 0.00 0.00 0.00 176.54 175.26 3hhy h GLN 206 N 0.90 0.96 -0.93 4.80 4.15 -0.98 0.52 115.11 124.53 3hhy h GLN 206 Ca 0.42 -0.25 0.04 0.00 0.77 0.00 0.00 58.65 59.63 3hhy h GLN 206 Cb 0.36 -0.12 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 3hhy h GLN 206 CO -0.24 0.90 0.60 0.35 -1.93 0.00 0.00 178.83 178.52 3hhy h PHE 207 N 0.86 1.13 0.06 3.99 3.57 -0.69 -0.10 116.94 125.76 3hhy h PHE 207 Ca 0.18 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3hhy h PHE 207 Cb 0.39 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3hhy h PHE 207 CO 0.03 0.65 -0.03 0.82 -2.23 0.00 0.00 178.31 177.54 3hhy h ILE 208 N 1.17 1.25 -0.69 1.41 2.04 -0.57 -3.24 117.51 118.87 3hhy h ILE 208 Ca 0.37 -1.30 0.13 0.00 1.00 0.00 0.00 64.86 65.06 3hhy h ILE 208 Cb 0.01 2.07 -0.09 0.00 -0.74 0.00 0.00 36.82 38.07 3hhy h ILE 208 CO -0.12 0.31 0.23 -0.08 0.00 0.00 0.00 178.15 178.48 3hhy h GLU 209 N -0.70 0.35 0.00 2.37 4.57 0.08 -1.64 114.58 119.61 3hhy h GLU 209 Ca -0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3hhy h GLU 209 Cb 0.58 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3hhy h GLU 209 CO 0.01 0.23 -0.04 0.00 -1.18 0.00 0.00 179.01 178.04 3hhy h ALA 210 N 1.52 1.20 -0.28 2.92 0.00 -1.06 -2.54 119.26 121.02 3hhy h ALA 210 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hhy h ALA 210 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hhy h ALA 210 CO -0.41 0.05 0.00 0.00 0.00 0.00 0.00 179.25 178.89 3hhy n GLN 211 N -3.42 2.89 -3.45 0.00 10.64 -0.84 -4.98 117.38 118.22 3hhy n GLN 211 Ca -0.02 -2.55 -0.25 0.00 -1.83 0.00 0.00 57.00 52.35 3hhy n GLN 211 Cb 0.16 -1.63 0.03 0.00 -0.86 0.00 0.00 30.24 27.94 3hhy n GLN 211 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3hhy n ASN 212 N -0.17 -5.18 -3.22 2.61 3.02 -0.96 -5.00 115.26 106.36 3hhy n ASN 212 Ca 0.18 -0.49 -0.16 0.00 -0.03 0.00 0.00 54.58 54.08 3hhy n ASN 212 Cb 0.72 -4.17 0.10 0.00 -0.61 0.00 0.00 39.78 35.82 3hhy n ASN 212 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hhy n GLY 213 N -1.55 -0.61 3.09 7.41 0.00 -0.68 -5.04 105.19 107.81 3hhy n GLY 213 Ca -0.02 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 3hhy n GLY 213 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hhy s HIS 214 N -2.30 2.61 -0.31 1.61 3.76 -1.26 -4.75 115.29 114.65 3hhy s HIS 214 Ca 0.41 -1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 53.76 3hhy s HIS 214 Cb -0.01 -1.83 0.08 0.00 1.11 0.00 0.00 32.58 31.93 3hhy s HIS 214 CO 0.28 -0.77 2.50 -0.35 -0.85 0.00 0.00 174.74 175.55 3hhy n PRO 215 N 4.66 2.00 -4.95 8.40 -0.04 -1.26 -4.58 135.00 139.22 3hhy n PRO 215 Ca -0.20 -1.69 -0.26 0.00 -0.04 0.00 0.00 63.50 61.31 3hhy n PRO 215 Cb 0.50 -1.82 -0.15 0.00 -0.04 0.00 0.00 33.50 31.99 3hhy n PRO 215 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3hhy s TRP 216 N -1.32 1.78 0.08 0.54 0.52 -1.26 -1.53 118.94 117.75 3hhy s TRP 216 Ca 0.44 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 56.26 3hhy s TRP 216 Cb 0.29 -1.14 -0.04 0.00 -1.15 0.00 0.00 33.47 31.43 3hhy s TRP 216 CO -0.09 -0.02 0.01 1.03 0.02 0.00 0.00 176.95 177.90 3hhy s ARG 217 N -0.50 2.63 0.95 4.98 0.52 0.53 -1.63 118.95 126.42 3hhy s ARG 217 Ca 0.08 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.39 3hhy s ARG 217 Cb -0.08 -2.59 0.16 0.00 0.52 0.00 0.00 34.95 32.97 3hhy s ARG 217 CO -0.01 0.55 1.10 -1.25 0.02 0.00 0.00 175.30 175.72 3hhy s PRO 218 N -2.23 0.77 0.29 3.54 0.04 -1.26 -1.73 135.00 134.42 3hhy s PRO 218 Ca 0.26 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 3hhy s PRO 218 Cb -0.12 -1.72 -0.13 0.00 0.04 0.00 0.00 34.50 32.57 3hhy s PRO 218 CO 0.18 -2.69 1.38 0.00 0.04 0.00 0.00 177.00 175.91 3hhy n ALA 219 N -4.24 1.37 -3.52 8.56 0.00 -1.26 -4.31 120.51 117.11 3hhy n ALA 219 Ca 0.09 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.76 3hhy n ALA 219 Cb 0.53 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.62 3hhy n ALA 219 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3hhy s HIS 220 N -0.47 -0.65 0.01 0.00 -3.43 -1.26 -4.22 115.29 105.27 3hhy s HIS 220 Ca 0.62 1.45 -0.12 0.00 -0.80 0.00 0.00 55.06 56.21 3hhy s HIS 220 Cb -0.60 0.28 -0.06 0.00 -1.43 0.00 0.00 32.58 30.78 3hhy s HIS 220 CO 0.55 -0.42 0.37 -0.51 -2.00 0.00 0.00 174.74 172.73 3hhy s LEU 221 N -0.23 4.43 -0.17 5.38 1.43 -0.26 -4.56 118.68 124.71 3hhy s LEU 221 Ca -0.04 0.85 -0.08 0.00 -1.03 0.00 0.00 54.13 53.83 3hhy s LEU 221 Cb -0.03 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3hhy s LEU 221 CO 0.04 0.29 0.11 -1.00 0.23 0.00 0.00 176.35 176.01 3hhy s HIS 222 N -1.18 3.41 0.00 0.29 3.76 -0.61 -1.41 115.29 119.55 3hhy s HIS 222 Ca 0.26 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.48 3hhy s HIS 222 Cb -0.15 -2.06 -0.00 0.00 1.11 0.00 0.00 32.58 31.47 3hhy s HIS 222 CO 0.14 0.38 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.89 3hhy s LEU 223 N -0.07 2.02 -0.18 0.89 1.02 -0.43 -1.53 118.68 120.41 3hhy s LEU 223 Ca 0.09 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.18 3hhy s LEU 223 Cb -0.12 -0.05 0.02 0.00 0.02 0.00 0.00 46.19 46.07 3hhy s LEU 223 CO 0.00 -0.01 -0.19 -0.63 0.02 0.00 0.00 176.35 175.54 3hhy s ILE 224 N -0.16 2.04 -0.15 -0.59 1.01 0.25 0.05 121.20 123.65 3hhy s ILE 224 Ca -0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 3hhy s ILE 224 Cb -0.01 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 3hhy s ILE 224 CO -0.00 0.49 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 3hhy s VAL 225 N 1.29 2.90 0.19 2.92 1.01 -0.09 -0.82 120.40 127.81 3hhy s VAL 225 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3hhy s VAL 225 Cb -0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 3hhy s VAL 225 CO -0.12 0.51 0.06 -0.94 0.00 0.00 0.00 175.10 174.61 3hhy s SER 226 N 0.63 0.92 -0.25 3.32 1.04 -0.71 -1.09 113.70 117.56 3hhy s SER 226 Ca -0.07 -1.27 -0.28 0.00 0.48 0.00 0.00 55.95 54.81 3hhy s SER 226 Cb -0.16 0.19 0.16 0.00 0.10 0.00 0.00 66.02 66.32 3hhy s SER 226 CO 0.03 -0.68 1.23 0.00 0.98 0.00 0.00 173.24 174.80 3hhy s ALA 227 N -3.82 -2.07 -0.11 5.32 0.00 -1.26 -1.12 121.76 118.70 3hhy s ALA 227 Ca 0.30 1.76 -0.37 0.00 0.00 0.00 0.00 51.96 53.65 3hhy s ALA 227 Cb 0.07 -1.36 -0.15 0.00 0.00 0.00 0.00 23.12 21.68 3hhy s ALA 227 CO 0.07 -0.22 1.67 -2.30 0.00 0.00 0.00 175.76 174.98 3hhy n PRO 228 N 1.09 1.49 -1.02 0.00 -0.02 -1.26 -1.46 135.00 133.82 3hhy n PRO 228 Ca -0.07 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 3hhy n PRO 228 Cb 0.58 -2.27 -0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3hhy n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hhy n GLY 229 N 3.80 0.46 3.54 -1.23 0.00 -1.26 -5.01 105.19 105.50 3hhy n GLY 229 Ca 0.23 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3hhy n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhy s LYS 230 N -0.66 1.98 -0.10 1.61 -0.14 -0.54 -0.72 119.74 121.17 3hhy s LYS 230 Ca 0.00 -1.18 -0.30 0.00 -1.36 0.00 0.00 55.97 53.13 3hhy s LYS 230 Cb 0.00 -2.18 -0.03 0.00 -1.68 0.00 0.00 37.83 33.94 3hhy s LYS 230 CO 0.00 0.47 1.30 -2.00 -0.76 0.00 0.00 175.35 174.36 3hhy s GLU 231 N -2.45 4.27 0.80 1.68 2.12 0.72 -4.26 118.70 121.58 3hhy s GLU 231 Ca 0.22 1.76 -0.14 0.00 0.36 0.00 0.00 54.97 57.17 3hhy s GLU 231 Cb -0.10 -3.70 0.07 0.00 0.26 0.00 0.00 34.13 30.67 3hhy s GLU 231 CO 0.13 -0.63 1.17 0.43 -0.54 0.00 0.00 175.26 175.83 3hhy n SER 232 N 6.07 0.97 -4.14 -1.70 7.64 -1.26 -4.23 113.62 116.97 3hhy n SER 232 Ca 0.13 0.60 -0.29 0.00 1.01 0.00 0.00 58.87 60.32 3hhy n SER 232 Cb 0.45 -1.50 -0.17 0.00 -1.01 0.00 0.00 64.21 61.98 3hhy n SER 232 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hhy s VAL 233 N -2.08 1.68 -0.23 0.44 0.11 -0.25 -4.97 120.40 115.10 3hhy s VAL 233 Ca 0.73 -0.79 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 3hhy s VAL 233 Cb -0.30 -1.47 -0.05 0.00 -1.53 0.00 0.00 36.38 33.03 3hhy s VAL 233 CO 0.51 0.47 0.18 -0.89 -3.33 0.00 0.00 175.10 172.04 3hhy s THR 234 N 0.49 5.35 0.35 5.04 2.01 -1.26 -0.91 115.64 126.71 3hhy s THR 234 Ca -0.17 0.24 -0.00 0.00 0.31 0.00 0.00 61.69 62.07 3hhy s THR 234 Cb -0.17 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3hhy s THR 234 CO 0.06 0.36 0.45 1.07 -0.69 0.00 0.00 174.62 175.87 3hhy n THR 235 N 4.12 0.00 -4.10 -0.82 5.66 0.11 -1.99 114.28 117.26 3hhy n THR 235 Ca -0.15 -1.89 -0.08 0.00 -3.05 0.00 0.00 64.05 58.89 3hhy n THR 235 Cb 0.52 1.12 -0.10 0.00 -1.55 0.00 0.00 70.33 70.32 3hhy n THR 235 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3hhy s GLN 236 N -2.89 0.63 -0.01 1.09 -0.21 -1.26 -1.31 119.66 115.70 3hhy s GLN 236 Ca 0.31 -1.22 0.02 0.00 0.02 0.00 0.00 55.36 54.48 3hhy s GLN 236 Cb -0.00 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.16 3hhy s GLN 236 CO 0.22 -0.10 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.73 3hhy s LEU 237 N -2.91 1.85 0.00 2.90 1.43 -0.50 -4.83 118.68 116.62 3hhy s LEU 237 Ca 0.07 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3hhy s LEU 237 Cb 0.07 -0.31 -0.00 0.00 0.03 0.00 0.00 46.19 45.98 3hhy s LEU 237 CO -0.09 0.04 0.04 -1.22 0.23 0.00 0.00 176.35 175.35 3hhy n TYR 238 N 3.18 0.75 -4.31 0.29 4.01 -0.27 -1.10 117.16 119.72 3hhy n TYR 238 Ca -0.16 -2.20 -0.24 0.00 -0.16 0.00 0.00 57.90 55.14 3hhy n TYR 238 Cb 0.56 -0.20 -0.17 0.00 -0.31 0.00 0.00 39.34 39.22 3hhy n TYR 238 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3hhy s PHE 239 N -2.68 1.23 0.18 -0.72 0.40 -1.26 0.14 117.98 115.28 3hhy s PHE 239 Ca 0.05 -0.47 -0.33 0.00 -0.60 0.00 0.00 56.93 55.59 3hhy s PHE 239 Cb 0.00 -0.98 -0.14 0.00 0.51 0.00 0.00 43.02 42.42 3hhy s PHE 239 CO 0.04 -0.30 1.55 1.17 0.70 0.00 0.00 175.22 178.38 3hhy n LYS 240 N 4.15 2.17 -0.97 0.44 4.81 0.47 -0.56 118.16 128.68 3hhy n LYS 240 Ca -0.21 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3hhy n LYS 240 Cb 0.51 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.03 3hhy n LYS 240 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hhy n GLY 241 N 3.13 0.47 3.76 3.14 0.00 -1.26 -5.00 105.19 109.43 3hhy n GLY 241 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3hhy n GLY 241 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hhy s GLY 242 N -2.00 2.69 0.40 -0.02 0.00 0.28 -4.98 107.32 103.69 3hhy s GLY 242 Ca 0.00 0.92 -0.27 0.00 0.00 0.00 0.00 44.72 45.37 3hhy s GLY 242 CO 0.00 1.29 1.47 1.18 0.00 0.00 0.00 173.10 177.05 3hhy n GLU 243 N -1.46 2.54 -0.88 2.90 1.02 -1.26 -3.35 120.64 120.14 3hhy n GLU 243 Ca 0.13 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 3hhy n GLU 243 Cb 0.50 -2.66 0.00 0.00 -0.02 0.00 0.00 31.44 29.26 3hhy n GLU 243 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3hhy n TRP 244 N 0.22 0.00 0.19 -0.32 7.02 -1.26 -4.23 117.44 119.06 3hhy n TRP 244 Ca 0.02 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.57 3hhy n TRP 244 Cb 0.40 -0.50 0.54 0.00 -2.42 0.00 0.00 31.31 29.34 3hhy n TRP 244 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3hhy h ILE 245 N 0.00 1.07 -0.01 -0.99 2.04 -1.94 -1.15 117.51 116.53 3hhy h ILE 245 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3hhy h ILE 245 Cb 0.08 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3hhy h ILE 245 CO 0.00 0.08 -0.53 -0.90 0.00 0.00 0.00 178.15 176.81 3hhy n ASP 246 N -4.45 1.21 -2.77 1.72 5.75 -1.26 -4.36 116.55 112.38 3hhy n ASP 246 Ca -0.02 -0.97 -0.03 0.00 -0.01 0.00 0.00 54.79 53.77 3hhy n ASP 246 Cb 0.14 0.44 0.04 0.00 -1.03 0.00 0.00 41.12 40.71 3hhy n ASP 246 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hhy n SER 247 N -0.82 1.63 -4.68 -1.12 3.41 -0.79 -5.09 113.62 106.16 3hhy n SER 247 Ca 0.08 -2.25 -0.42 0.00 -0.26 0.00 0.00 58.87 56.02 3hhy n SER 247 Cb 0.38 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 3hhy n SER 247 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hhy s ASP 248 N -3.62 6.46 0.56 4.04 2.15 -0.50 -4.87 116.67 120.89 3hhy s ASP 248 Ca 0.28 2.68 0.24 0.00 0.43 0.00 0.00 52.55 56.18 3hhy s ASP 248 Cb 0.36 -2.55 1.52 0.00 -0.30 0.00 0.00 42.92 41.95 3hhy s ASP 248 CO -0.02 -1.00 2.13 1.62 -0.17 0.00 0.00 175.17 177.73 3hhy h VAL 249 N 5.01 0.69 -0.02 1.11 3.04 -1.56 -1.36 116.25 123.17 3hhy h VAL 249 Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3hhy h VAL 249 Cb 1.22 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3hhy h VAL 249 CO 0.94 0.00 -0.05 0.00 -1.01 0.00 0.00 177.57 177.45 3hhy n ALA 250 N -2.45 2.66 -3.00 3.17 0.00 -1.26 -4.78 120.51 114.85 3hhy n ALA 250 Ca 0.01 -0.48 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 3hhy n ALA 250 Cb 0.26 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.63 3hhy n ALA 250 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hhy n SER 251 N 0.21 -5.67 -0.33 0.00 7.64 -0.51 -4.66 113.62 110.30 3hhy n SER 251 Ca 0.17 -0.26 0.04 0.00 1.01 0.00 0.00 58.87 59.83 3hhy n SER 251 Cb 0.39 -4.61 0.05 0.00 -1.01 0.00 0.00 64.21 59.03 3hhy n SER 251 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhy n ALA 252 N -3.37 2.38 -2.14 -0.43 0.00 -1.26 -4.89 120.51 110.80 3hhy n ALA 252 Ca -0.11 -0.72 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 3hhy n ALA 252 Cb 0.61 -0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 3hhy n ALA 252 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hhy s THR 253 N -0.73 4.59 0.01 0.00 2.01 -1.26 -4.73 115.64 115.53 3hhy s THR 253 Ca 0.11 1.32 0.03 0.00 0.31 0.00 0.00 61.69 63.45 3hhy s THR 253 Cb 0.07 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 3hhy s THR 253 CO 0.10 0.36 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.76 3hhy s LYS 254 N -1.58 0.68 0.46 4.92 1.02 -1.26 -5.04 119.74 118.93 3hhy s LYS 254 Ca 0.38 -0.43 0.13 0.00 0.02 0.00 0.00 55.97 56.07 3hhy s LYS 254 Cb -0.19 -0.64 1.06 0.00 -0.52 0.00 0.00 37.83 37.55 3hhy s LYS 254 CO 0.22 0.17 2.05 -1.35 -0.92 0.00 0.00 175.35 175.51 3hhy h PRO 255 N 5.58 0.32 0.00 -1.68 0.11 -1.98 -1.55 132.00 132.80 3hhy h PRO 255 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3hhy h PRO 255 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hhy h PRO 255 CO 0.48 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 178.86 3hhy n GLU 256 N -4.48 0.16 -0.34 1.05 4.71 -1.26 -2.90 120.64 117.57 3hhy n GLU 256 Ca 0.04 0.49 0.07 0.00 -0.01 0.00 0.00 57.16 57.76 3hhy n GLU 256 Cb 0.21 -1.87 0.23 0.00 -1.01 0.00 0.00 31.44 29.00 3hhy n GLU 256 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hhy n LEU 257 N -2.18 3.59 -4.60 -4.62 4.77 -0.58 -4.94 117.00 108.44 3hhy n LEU 257 Ca 0.01 -2.35 -0.40 0.00 -0.03 0.00 0.00 56.01 53.24 3hhy n LEU 257 Cb 0.15 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 3hhy n LEU 257 CO 0.15 0.75 0.18 -0.63 -1.33 0.00 0.00 177.39 176.50 3hhy s ILE 258 N -1.64 5.10 0.32 -0.08 1.01 -1.14 -1.11 121.20 123.65 3hhy s ILE 258 Ca 0.35 0.64 -0.11 0.00 0.00 0.00 0.00 60.65 61.54 3hhy s ILE 258 Cb 0.23 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 3hhy s ILE 258 CO 0.17 0.04 0.67 -0.76 0.00 0.00 0.00 174.94 175.06 3hhy s LEU 259 N 2.24 4.01 -0.55 2.97 1.43 0.12 -4.84 118.68 124.07 3hhy s LEU 259 Ca 0.18 1.05 0.06 0.00 -1.03 0.00 0.00 54.13 54.39 3hhy s LEU 259 Cb -0.16 -3.87 0.21 0.00 0.03 0.00 0.00 46.19 42.41 3hhy s LEU 259 CO 0.10 -0.23 0.54 -0.67 0.23 0.00 0.00 176.35 176.32 3hhy n ASP 260 N -0.70 1.83 -4.77 2.29 2.03 -1.26 -0.39 116.55 115.59 3hhy n ASP 260 Ca 0.02 -2.98 -0.36 0.00 0.52 0.00 0.00 54.79 51.98 3hhy n ASP 260 Cb 0.53 -0.66 -0.00 0.00 -0.72 0.00 0.00 41.12 40.27 3hhy n ASP 260 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3hhy s PRO 261 N -1.38 3.56 -0.11 -0.67 0.02 -1.26 -4.94 135.00 130.22 3hhy s PRO 261 Ca 0.33 1.75 -0.04 0.00 0.02 0.00 0.00 61.00 63.06 3hhy s PRO 261 Cb 0.08 -2.25 -0.04 0.00 0.02 0.00 0.00 34.50 32.32 3hhy s PRO 261 CO -0.12 -0.71 0.04 0.15 -0.33 0.00 0.00 177.00 176.03 3hhy s LYS 262 N -2.93 3.30 -0.11 5.54 -0.14 0.20 -4.80 119.74 120.80 3hhy s LYS 262 Ca 0.68 -0.35 -0.22 0.00 -1.36 0.00 0.00 55.97 54.72 3hhy s LYS 262 Cb -0.28 -2.96 -0.03 0.00 -1.68 0.00 0.00 37.83 32.88 3hhy s LYS 262 CO 0.33 0.61 0.65 0.95 -0.76 0.00 0.00 175.35 177.13 3hhy s THR 263 N -0.60 5.06 0.73 2.17 -4.23 -1.26 0.49 115.64 118.00 3hhy s THR 263 Ca 0.11 1.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 3hhy s THR 263 Cb -0.12 -3.99 0.14 0.00 1.34 0.00 0.00 72.50 69.88 3hhy s THR 263 CO 0.02 0.23 1.00 -0.83 -0.54 0.00 0.00 174.62 174.50 3hhy s GLY 264 N 0.86 1.74 0.05 3.99 0.00 -0.05 -4.93 107.32 108.98 3hhy s GLY 264 Ca 0.34 -1.88 0.20 0.00 0.00 0.00 0.00 44.72 43.38 3hhy s GLY 264 CO 0.15 -1.27 1.63 1.22 0.00 0.00 0.00 173.10 174.83 3hhy n ASP 265 N -2.84 0.14 -0.22 1.64 10.43 -1.26 -0.63 116.55 123.82 3hhy n ASP 265 Ca 0.16 0.53 0.14 0.00 2.57 0.00 0.00 54.79 58.20 3hhy n ASP 265 Cb 0.61 -0.56 0.65 0.00 1.84 0.00 0.00 41.12 43.65 3hhy n ASP 265 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3hhy n ASP 266 N -1.65 0.73 -0.01 -2.24 3.85 -1.26 -4.91 116.55 111.06 3hhy n ASP 266 Ca 0.04 -1.01 -0.00 0.00 -0.71 0.00 0.00 54.79 53.12 3hhy n ASP 266 Cb 0.24 -0.02 -0.00 0.00 -1.35 0.00 0.00 41.12 39.99 3hhy n ASP 266 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hhy n GLY 267 N 1.18 0.47 3.87 6.12 0.00 0.20 -5.03 105.19 112.00 3hhy n GLY 267 Ca 0.18 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3hhy n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hhy s LYS 268 N -0.43 3.77 -0.01 1.61 1.02 -1.26 -4.68 119.74 119.77 3hhy s LYS 268 Ca 0.00 0.19 -0.20 0.00 0.02 0.00 0.00 55.97 55.98 3hhy s LYS 268 Cb 0.00 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 3hhy s LYS 268 CO 0.00 0.49 0.56 -0.80 -0.92 0.00 0.00 175.35 174.69 3hhy s ASN 269 N -1.96 6.93 -0.04 2.83 0.02 -0.54 -0.87 114.94 121.30 3hhy s ASN 269 Ca 0.37 1.11 0.07 0.00 -1.02 0.00 0.00 52.86 53.39 3hhy s ASN 269 Cb -0.13 -2.35 -0.01 0.00 0.02 0.00 0.00 41.25 38.78 3hhy s ASN 269 CO 0.20 0.12 -0.24 -0.31 0.02 0.00 0.00 177.10 176.89 3hhy s TYR 270 N -0.23 2.26 -0.09 2.20 1.51 0.18 -0.32 117.35 122.87 3hhy s TYR 270 Ca 0.30 -0.56 -0.12 0.00 -1.01 0.00 0.00 57.07 55.68 3hhy s TYR 270 Cb -0.18 -1.47 0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3hhy s TYR 270 CO 0.16 -0.13 0.31 0.54 -1.11 0.00 0.00 175.55 175.32 3hhy s VAL 271 N -0.34 0.02 -0.06 0.71 0.11 -0.44 -0.63 120.40 119.77 3hhy s VAL 271 Ca 0.02 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.93 3hhy s VAL 271 Cb -0.12 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 3hhy s VAL 271 CO 0.01 -0.09 -0.10 0.42 -3.33 0.00 0.00 175.10 172.02 3hhy s THR 272 N -0.31 3.44 -0.11 5.04 -4.23 -1.26 -1.32 115.64 116.90 3hhy s THR 272 Ca -0.04 -0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 3hhy s THR 272 Cb -0.03 -2.39 0.05 0.00 1.34 0.00 0.00 72.50 71.47 3hhy s THR 272 CO 0.02 0.59 0.26 -0.47 -0.54 0.00 0.00 174.62 174.48 3hhy s TYR 273 N -0.76 -0.37 0.01 3.99 6.14 0.05 -4.97 117.35 121.44 3hhy s TYR 273 Ca 0.12 0.86 -0.06 0.00 0.64 0.00 0.00 57.07 58.63 3hhy s TYR 273 Cb -0.11 0.03 -0.05 0.00 0.42 0.00 0.00 41.96 42.25 3hhy s TYR 273 CO 0.01 -0.27 0.26 -0.80 0.64 0.00 0.00 175.55 175.39 3hhy s ASN 274 N 1.62 6.48 -0.12 4.32 0.02 -1.26 -4.10 114.94 121.91 3hhy s ASN 274 Ca -0.06 0.54 -0.05 0.00 -1.02 0.00 0.00 52.86 52.27 3hhy s ASN 274 Cb -0.11 -2.08 -0.04 0.00 0.02 0.00 0.00 41.25 39.04 3hhy s ASN 274 CO -0.09 0.25 0.06 -0.36 0.02 0.00 0.00 177.10 176.99 3hhy s PHE 275 N -1.30 3.33 -0.19 2.20 0.40 -0.07 -4.93 117.98 117.41 3hhy s PHE 275 Ca 0.27 0.28 -0.01 0.00 -0.60 0.00 0.00 56.93 56.88 3hhy s PHE 275 Cb -0.13 -1.90 0.01 0.00 0.51 0.00 0.00 43.02 41.51 3hhy s PHE 275 CO 0.16 0.50 -0.14 0.08 0.70 0.00 0.00 175.22 176.52 3hhy s VAL 276 N -0.68 2.58 -0.04 -0.44 1.01 -1.26 0.13 120.40 121.70 3hhy s VAL 276 Ca 0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3hhy s VAL 276 Cb -0.12 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 3hhy s VAL 276 CO 0.02 0.50 0.15 -0.76 0.00 0.00 0.00 175.10 175.01 3hhy s LEU 277 N 1.30 4.29 0.45 3.92 1.43 0.41 -1.34 118.68 129.14 3hhy s LEU 277 Ca 0.04 0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.34 3hhy s LEU 277 Cb -0.14 -2.40 -0.08 0.00 0.03 0.00 0.00 46.19 43.61 3hhy s LEU 277 CO -0.08 0.31 0.88 -1.81 0.23 0.00 0.00 176.35 175.87 3hhy s ASP 278 N -1.63 6.62 0.58 2.29 1.01 -1.26 -3.57 116.67 120.71 3hhy s ASP 278 Ca 0.23 1.38 -0.19 0.00 0.71 0.00 0.00 52.55 54.68 3hhy s ASP 278 Cb -0.12 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 3hhy s ASP 278 CO 0.14 -0.46 1.22 -2.16 0.21 0.00 0.00 175.17 174.11 3hhy s PRO 279 N -3.83 3.03 0.00 8.23 0.04 -1.26 -0.20 135.00 141.01 3hhy s PRO 279 Ca 0.56 1.85 0.31 0.00 0.04 0.00 0.00 61.00 63.76 3hhy s PRO 279 Cb -0.10 -1.98 1.84 0.00 0.04 0.00 0.00 34.50 34.29 3hhy s PRO 279 CO 0.29 -1.16 2.16 0.00 0.04 0.00 0.00 177.00 178.33