#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlu s GLN 4 N 0.00 4.58 -0.02 -1.24 -0.21 -1.26 -4.69 119.66 116.83 3hlu s GLN 4 Ca 0.00 1.63 -0.32 0.00 0.02 0.00 0.00 55.36 56.68 3hlu s GLN 4 Cb 0.00 -3.34 -0.11 0.00 1.00 0.00 0.00 33.01 30.57 3hlu s GLN 4 CO 0.00 0.03 1.90 1.04 -2.12 0.00 0.00 175.29 176.14 3hlu n GLN 5 N 2.95 2.48 0.00 2.91 6.02 -1.26 -4.39 117.38 126.09 3hlu n GLN 5 Ca 0.04 0.91 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 3hlu n GLN 5 Cb 0.47 -2.80 0.00 0.00 1.02 0.00 0.00 30.24 28.94 3hlu n GLN 5 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3hlu n THR 6 N 5.20 0.00 0.00 5.09 5.66 -1.26 -4.97 114.28 124.00 3hlu n THR 6 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 3hlu n THR 6 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 3hlu n THR 6 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3hlu n VAL 8 N 0.00 0.00 -4.59 1.08 0.31 0.19 -4.43 118.33 110.88 3hlu n VAL 8 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3hlu n VAL 8 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 3hlu n VAL 8 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3hlu s TYR 9 N -0.54 2.93 -0.19 3.52 1.51 0.07 -1.40 117.35 123.24 3hlu s TYR 9 Ca 0.00 -0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 3hlu s TYR 9 Cb 0.00 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 40.04 3hlu s TYR 9 CO 0.00 0.10 -0.14 0.42 -1.11 0.00 0.00 175.55 174.82 3hlu s ILE 10 N -0.19 2.60 -0.32 2.71 1.01 -0.00 0.35 121.20 127.36 3hlu s ILE 10 Ca 0.02 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 3hlu s ILE 10 Cb -0.13 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 3hlu s ILE 10 CO 0.03 0.49 0.30 -0.69 0.00 0.00 0.00 174.94 175.07 3hlu s VAL 11 N 1.33 5.23 -0.24 2.92 1.01 0.82 -2.35 120.40 129.13 3hlu s VAL 11 Ca 0.05 0.09 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 3hlu s VAL 11 Cb -0.14 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.60 3hlu s VAL 11 CO -0.08 0.04 0.69 -0.55 0.00 0.00 0.00 175.10 175.19 3hlu s SER 12 N 1.72 -0.71 0.30 3.32 0.15 -1.26 -1.90 113.70 115.32 3hlu s SER 12 Ca 0.10 1.33 -0.01 0.00 0.70 0.00 0.00 55.95 58.07 3hlu s SER 12 Cb -0.17 1.34 0.46 0.00 -1.71 0.00 0.00 66.02 65.95 3hlu s SER 12 CO 0.11 -0.27 1.92 0.00 1.20 0.00 0.00 173.24 176.21 3hlu h ALA 13 N 4.89 1.36 -0.47 5.45 0.00 -1.96 -2.83 119.26 125.71 3hlu h ALA 13 Ca -0.29 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.28 3hlu h ALA 13 Cb 1.16 -0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.53 3hlu h ALA 13 CO 0.09 0.52 0.30 1.63 0.00 0.00 0.00 179.25 181.80 3hlu n LYS 14 N -4.37 1.63 -0.18 0.00 4.76 -1.26 -4.66 118.16 114.07 3hlu n LYS 14 Ca 0.07 -1.42 -0.01 0.00 -2.87 0.00 0.00 58.31 54.08 3hlu n LYS 14 Cb 0.10 -1.57 0.22 0.00 -1.84 0.00 0.00 35.03 31.95 3hlu n LYS 14 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3hlu h ARG 15 N 0.51 0.92 -0.33 1.97 -0.00 -1.90 -2.17 114.38 113.38 3hlu h ARG 15 Ca 0.29 -0.10 0.02 0.00 -0.00 0.00 0.00 59.98 60.19 3hlu h ARG 15 Cb 1.87 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.97 31.63 3hlu h ARG 15 CO 0.51 0.69 0.17 -0.22 -0.00 0.00 0.00 179.97 181.12 3hlu h LYS 16 N 0.93 0.34 -0.33 0.08 3.64 -1.88 0.38 116.57 119.73 3hlu h LYS 16 Ca 0.23 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 3hlu h LYS 16 Cb 0.05 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.75 3hlu h LYS 16 CO -0.04 0.22 0.09 0.82 -2.27 0.00 0.00 179.45 178.28 3hlu h ILE 17 N 0.35 0.87 -0.47 2.00 2.04 -1.87 -1.73 117.51 118.71 3hlu h ILE 17 Ca 0.14 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3hlu h ILE 17 Cb 0.04 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3hlu h ILE 17 CO -0.09 0.04 0.31 0.40 0.00 0.00 0.00 178.15 178.81 3hlu h ILE 18 N 0.22 1.13 -0.94 -0.67 2.04 -0.80 -2.14 117.51 116.35 3hlu h ILE 18 Ca 0.15 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 3hlu h ILE 18 Cb 0.15 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 3hlu h ILE 18 CO -0.18 0.12 0.57 0.00 0.00 0.00 0.00 178.15 178.67 3hlu h ALA 19 N 1.16 1.20 -0.18 1.87 0.00 -0.12 -3.00 119.26 120.20 3hlu h ALA 19 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hlu h ALA 19 Cb -0.06 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3hlu h ALA 19 CO -0.04 0.65 -0.03 -0.44 0.00 0.00 0.00 179.25 179.39 3hlu h ASP 20 N 1.29 0.33 0.00 0.00 3.32 -1.04 -2.63 116.42 117.69 3hlu h ASP 20 Ca 0.34 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3hlu h ASP 20 Cb -0.06 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3hlu h ASP 20 CO -0.06 0.61 0.00 0.54 -1.72 0.00 0.00 179.24 178.60 3hlu n ARG 21 N -4.68 0.31 0.00 3.56 1.74 -0.83 -0.80 116.66 115.96 3hlu n ARG 21 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 3hlu n ARG 21 Cb 0.25 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3hlu n ARG 21 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hlu n LEU 23 N 1.64 0.00 -0.03 0.55 7.94 -0.99 -1.55 117.00 124.55 3hlu n LEU 23 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 3hlu n LEU 23 Cb 0.15 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 43.98 3hlu n LEU 23 CO 0.00 0.00 0.40 1.56 -1.11 0.00 0.00 177.39 178.24 3hlu h GLN 24 N 0.00 0.11 0.00 1.96 4.20 -1.26 -2.74 115.11 117.38 3hlu h GLN 24 Ca 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3hlu h GLN 24 Cb 0.00 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3hlu h GLN 24 CO 0.00 0.92 -1.50 0.39 -0.67 0.00 0.00 178.83 177.97 3hlu n GLU 25 N -4.55 0.34 0.00 1.46 1.02 -0.59 -4.28 120.64 114.03 3hlu n GLU 25 Ca -0.10 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 3hlu n GLU 25 Cb 0.49 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3hlu n GLU 25 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hlu n LEU 26 N -1.90 0.84 -2.04 -4.62 4.77 -1.25 -5.01 117.00 107.78 3hlu n LEU 26 Ca -0.00 -0.84 -0.15 0.00 -0.03 0.00 0.00 56.01 54.99 3hlu n LEU 26 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3hlu n LEU 26 CO 0.44 0.21 -0.17 0.47 -1.33 0.00 0.00 177.39 177.01 3hlu n ASP 27 N -0.07 -4.30 -4.75 -1.43 8.00 -1.03 -4.91 116.55 108.06 3hlu n ASP 27 Ca 0.00 0.22 -0.40 0.00 0.71 0.00 0.00 54.79 55.32 3hlu n ASP 27 Cb 0.12 -3.74 -0.05 0.00 -0.02 0.00 0.00 41.12 37.42 3hlu n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hlu s LEU 28 N -5.06 4.53 -0.19 0.64 1.43 -1.26 -4.95 118.68 113.83 3hlu s LEU 28 Ca 0.00 1.67 -0.19 0.00 -1.03 0.00 0.00 54.13 54.58 3hlu s LEU 28 Cb 0.00 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3hlu s LEU 28 CO 0.00 0.07 0.55 -0.83 0.23 0.00 0.00 176.35 176.36 3hlu s GLY 29 N -0.52 2.12 0.10 -3.19 0.00 -1.26 -4.00 107.32 100.57 3hlu s GLY 29 Ca 0.40 -0.33 0.06 0.00 0.00 0.00 0.00 44.72 44.86 3hlu s GLY 29 CO 0.27 1.10 -0.16 -1.34 0.00 0.00 0.00 173.10 172.97 3hlu s VAL 30 N 1.56 1.34 0.00 1.40 -7.23 -1.26 -4.58 120.40 111.63 3hlu s VAL 30 Ca 0.26 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3hlu s VAL 30 Cb -0.16 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.44 3hlu s VAL 30 CO 0.10 -0.24 0.00 0.41 -0.31 0.00 0.00 175.10 175.06 3hlu n THR 31 N 0.99 0.00 -3.64 5.32 -1.04 -1.26 -5.05 114.28 109.60 3hlu n THR 31 Ca -0.19 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.79 3hlu n THR 31 Cb 0.55 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.02 3hlu n THR 31 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3hlu s LEU 33 N 0.00 -0.06 -0.15 -4.42 2.96 0.01 -4.51 118.68 112.51 3hlu s LEU 33 Ca 0.00 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 3hlu s LEU 33 Cb 0.00 1.15 -0.01 0.00 0.50 0.00 0.00 46.19 47.83 3hlu s LEU 33 CO 0.00 -0.06 -0.12 -1.58 -1.32 0.00 0.00 176.35 173.27 3hlu s GLN 34 N -1.20 3.34 0.54 1.98 0.74 -1.26 0.31 119.66 124.11 3hlu s GLN 34 Ca 0.09 -0.69 -0.12 0.00 0.05 0.00 0.00 55.36 54.68 3hlu s GLN 34 Cb -0.01 -2.70 -0.06 0.00 1.10 0.00 0.00 33.01 31.35 3hlu s GLN 34 CO -0.07 0.09 0.96 0.00 -0.55 0.00 0.00 175.29 175.72 3hlu s ALA 35 N 0.66 3.15 -0.54 1.58 0.00 -0.37 -4.95 121.76 121.29 3hlu s ALA 35 Ca -0.06 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.63 3hlu s ALA 35 Cb -0.15 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.03 3hlu s ALA 35 CO 0.02 -0.41 0.78 0.08 0.00 0.00 0.00 175.76 176.24 3hlu s VAL 36 N -2.83 4.63 0.88 0.00 1.01 -1.26 -4.63 120.40 118.20 3hlu s VAL 36 Ca 0.55 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 3hlu s VAL 36 Cb -0.10 -4.44 0.14 0.00 0.00 0.00 0.00 36.38 31.98 3hlu s VAL 36 CO 0.42 -1.00 1.24 -0.83 0.00 0.00 0.00 175.10 174.92 3hlu s GLY 37 N 2.90 1.70 0.30 4.51 0.00 -1.26 -4.97 107.32 110.50 3hlu s GLY 37 Ca 0.21 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.98 3hlu s GLY 37 CO 0.14 -0.35 1.84 0.00 0.00 0.00 0.00 173.10 174.73 3hlu h ALA 38 N -1.31 1.60 -3.09 3.20 0.00 -1.96 -3.41 119.26 114.29 3hlu h ALA 38 Ca -0.45 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.90 3hlu h ALA 38 Cb 1.28 -0.18 -0.18 0.00 0.00 0.00 0.00 17.79 18.70 3hlu h ALA 38 CO 0.51 0.15 -0.80 0.71 0.00 0.00 0.00 179.25 179.81 3hlu s TYR 39 N -5.89 2.04 -0.33 0.00 1.51 -1.26 -5.07 117.35 108.35 3hlu s TYR 39 Ca -0.11 -0.41 0.21 0.00 -1.01 0.00 0.00 57.07 55.74 3hlu s TYR 39 Cb 0.22 -1.02 0.22 0.00 -0.11 0.00 0.00 41.96 41.27 3hlu s TYR 39 CO 0.80 0.40 1.49 1.57 -1.11 0.00 0.00 175.55 178.71 3hlu h LYS 40 N 3.28 0.00 0.00 -0.62 2.10 -1.99 -3.15 116.57 116.18 3hlu h LYS 40 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3hlu h LYS 40 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3hlu h LYS 40 CO 0.49 0.15 0.00 -0.91 -2.00 0.00 0.00 179.45 177.18 3hlu h ASN 41 N 0.00 0.00 -2.00 7.07 4.21 -1.98 -3.34 115.58 119.55 3hlu h ASN 41 Ca -0.01 0.00 -0.77 0.00 1.21 0.00 0.00 56.30 56.73 3hlu h ASN 41 Cb 1.13 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 38.13 3hlu h ASN 41 CO 0.02 0.00 1.53 -3.20 -1.29 0.00 0.00 177.43 174.49 3hlu n ASN 42 N -2.99 5.53 -4.77 5.81 4.05 -1.19 -5.01 115.26 116.69 3hlu n ASN 42 Ca -0.00 -3.19 -0.39 0.00 0.45 0.00 0.00 54.58 51.44 3hlu n ASN 42 Cb 0.22 -1.42 -0.02 0.00 1.23 0.00 0.00 39.78 39.80 3hlu n ASN 42 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3hlu s GLU 43 N -0.58 4.11 -0.04 1.20 -1.05 -1.25 -4.57 118.70 116.51 3hlu s GLU 43 Ca 0.37 2.03 -0.03 0.00 -0.15 0.00 0.00 54.97 57.19 3hlu s GLU 43 Cb 0.06 -2.81 0.02 0.00 -0.44 0.00 0.00 34.13 30.97 3hlu s GLU 43 CO 0.03 -0.33 0.10 -0.08 0.95 0.00 0.00 175.26 175.93 3hlu s THR 44 N -1.29 -0.02 -0.01 1.83 -1.32 -1.26 -5.07 115.64 108.50 3hlu s THR 44 Ca 0.55 0.07 0.03 0.00 -1.21 0.00 0.00 61.69 61.13 3hlu s THR 44 Cb -0.35 -0.16 -0.03 0.00 -1.51 0.00 0.00 72.50 70.45 3hlu s THR 44 CO 0.45 0.03 -0.06 -1.61 -2.21 0.00 0.00 174.62 171.22 3hlu s GLU 45 N 0.46 2.60 0.03 7.08 2.02 -1.26 -1.23 118.70 128.39 3hlu s GLU 45 Ca -0.03 -0.68 0.08 0.00 0.02 0.00 0.00 54.97 54.35 3hlu s GLU 45 Cb -0.05 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 3hlu s GLU 45 CO -0.02 0.61 -0.23 0.08 0.02 0.00 0.00 175.26 175.72 3hlu s VAL 46 N -0.97 1.86 0.66 2.63 1.01 0.15 -4.75 120.40 121.00 3hlu s VAL 46 Ca 0.16 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 3hlu s VAL 46 Cb -0.11 -1.59 0.14 0.00 0.00 0.00 0.00 36.38 34.82 3hlu s VAL 46 CO 0.07 0.34 0.91 -0.38 0.00 0.00 0.00 175.10 176.03 3hlu n ILE 47 N 2.00 0.00 0.00 2.22 5.41 -0.99 -0.81 119.36 127.19 3hlu n ILE 47 Ca -0.17 -1.06 0.00 0.00 1.00 0.00 0.00 62.75 62.52 3hlu n ILE 47 Cb 0.53 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 3hlu n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hlu s VAL 50 N 0.00 4.90 0.25 0.00 -7.23 -1.26 -0.64 120.40 116.42 3hlu s VAL 50 Ca 0.00 0.75 0.05 0.00 -1.81 0.00 0.00 61.98 60.97 3hlu s VAL 50 Cb 0.00 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.20 3hlu s VAL 50 CO 0.00 0.24 0.36 -0.13 -0.31 0.00 0.00 175.10 175.26 3hlu s ARG 52 N -1.97 3.37 0.41 4.82 0.52 -1.26 -4.94 118.95 119.90 3hlu s ARG 52 Ca 0.37 -0.81 0.08 0.00 -0.52 0.00 0.00 55.73 54.86 3hlu s ARG 52 Cb -0.15 -2.86 0.87 0.00 0.52 0.00 0.00 34.95 33.33 3hlu s ARG 52 CO 0.19 0.39 2.03 0.87 0.02 0.00 0.00 175.30 178.80 3hlu h LYS 53 N 1.17 0.43 -0.53 3.54 1.57 -1.84 -2.38 116.57 118.53 3hlu h LYS 53 Ca -0.51 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 3hlu h LYS 53 Cb 1.23 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3hlu h LYS 53 CO 0.60 0.34 0.33 0.00 -0.57 0.00 0.00 179.45 180.15 3hlu h ALA 54 N 1.73 0.67 -0.73 3.86 0.00 -1.97 -1.67 119.26 121.15 3hlu h ALA 54 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hlu h ALA 54 Cb 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3hlu h ALA 54 CO -0.02 0.14 0.48 1.15 0.00 0.00 0.00 179.25 181.00 3hlu h THR 55 N 0.71 1.11 -0.38 0.00 2.02 -1.89 -2.54 112.91 111.94 3hlu h THR 55 Ca 0.19 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3hlu h THR 55 Cb -0.04 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 3hlu h THR 55 CO -0.04 0.16 0.25 0.25 0.37 0.00 0.00 175.52 176.52 3hlu h LEU 56 N 0.89 0.36 -0.31 2.58 5.85 -1.01 -0.69 115.31 122.98 3hlu h LEU 56 Ca 0.29 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 3hlu h LEU 56 Cb 0.05 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3hlu h LEU 56 CO -0.08 0.25 -0.41 0.58 -0.34 0.00 0.00 178.44 178.44 3hlu h VAL 57 N 0.41 1.29 -0.69 1.05 2.07 -1.29 -0.57 116.25 118.52 3hlu h VAL 57 Ca 0.15 -1.59 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 3hlu h VAL 57 Cb 0.10 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3hlu h VAL 57 CO -0.04 0.52 0.31 0.11 0.02 0.00 0.00 177.57 178.49 3hlu h LYS 58 N 0.60 1.02 -0.24 1.57 1.57 -1.19 -2.34 116.57 117.55 3hlu h LYS 58 Ca 0.04 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 3hlu h LYS 58 Cb 1.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 3hlu h LYS 58 CO 0.10 0.82 0.04 0.28 -0.57 0.00 0.00 179.45 180.12 3hlu h VAL 59 N 0.98 1.23 -0.91 0.50 2.07 -1.08 -2.02 116.25 117.01 3hlu h VAL 59 Ca 0.24 -0.76 0.16 0.00 0.82 0.00 0.00 66.70 67.16 3hlu h VAL 59 Cb 0.16 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 3hlu h VAL 59 CO -0.03 0.24 0.51 -0.09 0.02 0.00 0.00 177.57 178.22 3hlu h ARG 60 N 0.21 0.67 0.00 1.57 2.43 -0.98 0.35 114.38 118.63 3hlu h ARG 60 Ca 0.07 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3hlu h ARG 60 Cb 0.32 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3hlu h ARG 60 CO 0.00 0.44 -0.29 -0.91 -1.51 0.00 0.00 179.97 177.71 3hlu h ASN 61 N 0.69 0.00 0.68 -3.80 2.35 -1.00 -1.95 115.58 112.56 3hlu h ASN 61 Ca 0.51 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.10 3hlu h ASN 61 Cb 0.74 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 3hlu h ASN 61 CO -0.37 0.29 -0.75 0.25 -1.65 0.00 0.00 177.43 175.20 3hlu h LEU 62 N 0.00 0.06 -0.08 1.61 5.85 -0.27 -3.05 115.31 119.43 3hlu h LEU 62 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3hlu h LEU 62 Cb 0.76 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.77 3hlu h LEU 62 CO 0.04 0.78 0.00 -0.07 -0.34 0.00 0.00 178.44 178.85 3hlu h LEU 63 N 0.03 0.13 -1.38 2.25 3.38 -0.40 -2.15 115.31 117.17 3hlu h LEU 63 Ca -0.01 -0.29 0.29 0.00 0.09 0.00 0.00 57.88 57.95 3hlu h LEU 63 Cb 1.32 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.93 3hlu h LEU 63 CO 0.10 0.39 0.69 0.11 0.09 0.00 0.00 178.44 179.82 3hlu h LYS 64 N -0.13 0.34 0.00 1.13 1.57 -1.46 0.21 116.57 118.22 3hlu h LYS 64 Ca 0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hlu h LYS 64 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hlu h LYS 64 CO 0.00 0.22 -0.01 -1.91 -0.57 0.00 0.00 179.45 177.18 3hlu n GLU 65 N -4.63 0.12 0.00 3.15 2.13 -0.83 -4.45 120.64 116.14 3hlu n GLU 65 Ca 0.27 0.10 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3hlu n GLU 65 Cb 0.95 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 31.01 3hlu n GLU 65 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3hlu n VAL 66 N -1.85 0.00 -3.41 6.31 0.31 0.24 -5.02 118.33 114.90 3hlu n VAL 66 Ca 0.06 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.22 3hlu n VAL 66 Cb 0.38 -0.95 -0.10 0.00 -0.91 0.00 0.00 33.84 32.26 3hlu n VAL 66 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hlu s ASP 67 N -4.81 1.75 0.63 4.52 2.15 0.47 -5.00 116.67 116.38 3hlu s ASP 67 Ca 0.00 -0.77 0.36 0.00 0.43 0.00 0.00 52.55 52.57 3hlu s ASP 67 Cb 0.00 0.47 2.04 0.00 -0.30 0.00 0.00 42.92 45.13 3hlu s ASP 67 CO 0.00 -0.39 2.27 -0.65 -0.17 0.00 0.00 175.17 176.23 3hlu h PRO 68 N 8.27 0.00 0.00 4.34 0.11 -1.78 -2.33 132.00 140.61 3hlu h PRO 68 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3hlu h PRO 68 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hlu h PRO 68 CO 0.34 0.00 -0.97 -0.25 -0.21 0.00 0.00 178.00 176.91 3hlu n ASP 69 N -3.48 0.63 -4.51 -2.05 9.92 -1.26 -4.92 116.55 110.87 3hlu n ASP 69 Ca -0.02 -0.13 -0.35 0.00 -0.53 0.00 0.00 54.79 53.76 3hlu n ASP 69 Cb 0.12 0.69 0.08 0.00 -0.64 0.00 0.00 41.12 41.37 3hlu n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hlu n ALA 70 N -1.85 -1.23 -3.00 2.24 0.00 -0.88 -4.98 120.51 110.82 3hlu n ALA 70 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3hlu n ALA 70 Cb 0.44 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.95 3hlu n ALA 70 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3hlu n PHE 71 N -2.63 0.00 -3.63 0.00 -1.74 -0.80 -5.01 117.46 103.66 3hlu n PHE 71 Ca 0.11 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.87 3hlu n PHE 71 Cb 0.50 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.38 3hlu n PHE 71 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3hlu s ILE 73 N -0.58 -0.48 -0.51 1.97 1.01 0.15 -0.12 121.20 122.64 3hlu s ILE 73 Ca 0.00 0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.69 3hlu s ILE 73 Cb 0.00 -0.54 0.10 0.00 0.01 0.00 0.00 42.46 42.03 3hlu s ILE 73 CO 0.00 0.07 0.47 -0.69 0.00 0.00 0.00 174.94 174.78 3hlu s VAL 74 N 2.47 5.20 -0.94 2.92 1.01 -1.26 -0.75 120.40 129.05 3hlu s VAL 74 Ca 0.02 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3hlu s VAL 74 Cb -0.12 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.00 3hlu s VAL 74 CO -0.10 -0.75 0.24 -0.24 0.00 0.00 0.00 175.10 174.24