#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hlo h ASP 4 N 0.00 0.00 0.11 1.20 3.32 -2.05 -3.09 116.42 115.92 1hlo h ASP 4 Ca 0.00 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1hlo h ASP 4 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1hlo h ASP 4 CO 0.00 0.00 -0.71 0.44 -1.72 0.00 0.00 179.24 177.25 1hlo h ASP 5 N 0.00 0.42 -0.79 6.45 3.45 -2.04 -3.28 116.42 120.63 1hlo h ASP 5 Ca 0.00 -0.94 0.17 0.00 0.43 0.00 0.00 57.03 56.69 1hlo h ASP 5 Cb 0.98 -0.14 -0.11 0.00 -0.56 0.00 0.00 39.33 39.50 1hlo h ASP 5 CO 0.00 1.33 0.29 0.40 -1.57 0.00 0.00 179.24 179.69 1hlo h ILE 6 N -0.41 0.56 0.00 0.35 5.03 -1.97 0.66 117.51 121.73 1hlo h ILE 6 Ca -0.12 -0.13 -0.05 0.00 -0.12 0.00 0.00 64.86 64.43 1hlo h ILE 6 Cb 1.54 0.15 -0.01 0.00 -3.03 0.00 0.00 36.82 35.47 1hlo h ILE 6 CO 0.13 0.07 -0.26 -0.33 -0.68 0.00 0.00 178.15 177.09 1hlo h GLU 7 N 0.38 0.00 -0.53 2.37 4.39 -1.65 -3.15 114.58 116.39 1hlo h GLU 7 Ca 0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.16 1hlo h GLU 7 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1hlo h GLU 7 CO -0.47 0.26 0.00 1.33 -1.16 0.00 0.00 179.01 178.96 1hlo n VAL 8 N -3.36 1.10 -1.68 3.13 0.24 0.04 -5.01 118.33 112.80 1hlo n VAL 8 Ca 0.01 -1.04 -0.32 0.00 -2.04 0.00 0.00 64.34 60.95 1hlo n VAL 8 Cb 0.48 0.45 0.04 0.00 -1.47 0.00 0.00 33.84 33.34 1hlo n VAL 8 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1hlo s GLU 9 N -1.11 2.95 0.88 7.34 -1.05 -0.15 -5.04 118.70 122.52 1hlo s GLU 9 Ca 0.37 1.08 -0.12 0.00 -0.15 0.00 0.00 54.97 56.16 1hlo s GLU 9 Cb 0.20 -1.99 0.12 0.00 -0.44 0.00 0.00 34.13 32.02 1hlo s GLU 9 CO 0.24 -1.09 1.09 -1.54 0.95 0.00 0.00 175.26 174.91 1hlo s SER 10 N -3.36 3.68 0.18 0.83 1.04 -1.26 -4.83 113.70 109.98 1hlo s SER 10 Ca 0.61 1.43 -0.09 0.00 0.48 0.00 0.00 55.95 58.38 1hlo s SER 10 Cb -0.15 -2.12 0.07 0.00 0.10 0.00 0.00 66.02 63.92 1hlo s SER 10 CO 0.49 -2.50 1.62 0.44 0.98 0.00 0.00 173.24 174.26 1hlo h ASP 11 N -1.45 1.02 -0.74 7.02 3.45 -1.99 -1.01 116.42 122.72 1hlo h ASP 11 Ca -0.49 -0.33 0.07 0.00 0.43 0.00 0.00 57.03 56.72 1hlo h ASP 11 Cb 1.28 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 39.73 1hlo h ASP 11 CO 0.56 1.12 0.48 0.00 -1.57 0.00 0.00 179.24 179.83 1hlo h ALA 12 N 0.97 1.73 -0.20 3.45 0.00 -1.99 0.35 119.26 123.57 1hlo h ALA 12 Ca 0.15 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1hlo h ALA 12 Cb 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1hlo h ALA 12 CO 0.04 0.14 -0.47 -0.44 0.00 0.00 0.00 179.25 178.52 1hlo h ASP 13 N 0.73 0.57 -0.08 0.00 5.19 -1.62 -1.98 116.42 119.23 1hlo h ASP 13 Ca 0.33 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.43 1hlo h ASP 13 Cb 0.32 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1hlo h ASP 13 CO -0.11 0.96 -0.05 0.11 -3.12 0.00 0.00 179.24 177.02 1hlo h LYS 14 N 0.42 0.17 0.63 3.56 1.57 0.20 -2.78 116.57 120.35 1hlo h LYS 14 Ca 0.02 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1hlo h LYS 14 Cb 0.99 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1hlo h LYS 14 CO 0.09 0.57 -0.48 -0.09 -0.57 0.00 0.00 179.45 178.97 1hlo h ARG 15 N -0.22 -1.03 -0.98 3.15 2.43 -1.00 -0.29 114.38 116.44 1hlo h ARG 15 Ca 0.02 0.07 0.27 0.00 -0.81 0.00 0.00 59.98 59.52 1hlo h ARG 15 Cb 0.53 0.23 -0.13 0.00 -0.42 0.00 0.00 29.97 30.18 1hlo h ARG 15 CO 0.01 -0.69 0.53 0.00 -1.51 0.00 0.00 179.97 178.32 1hlo h ALA 16 N -1.09 1.76 0.03 2.80 0.00 -1.46 -0.45 119.26 120.85 1hlo h ALA 16 Ca -0.08 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hlo h ALA 16 Cb 0.89 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1hlo h ALA 16 CO 0.03 -0.40 -0.02 1.25 0.00 0.00 0.00 179.25 180.11 1hlo h HIS 17 N 0.44 -0.04 -0.66 0.00 -0.00 -1.09 -1.06 115.15 112.73 1hlo h HIS 17 Ca 0.66 -0.00 0.14 0.00 -0.00 0.00 0.00 60.37 61.17 1hlo h HIS 17 Cb 1.35 0.01 -0.11 0.00 -0.00 0.00 0.00 27.41 28.66 1hlo h HIS 17 CO -0.05 0.43 0.07 1.25 -0.00 0.00 0.00 177.93 179.63 1hlo h HIS 18 N -0.52 0.08 -0.61 5.26 6.17 0.50 0.25 115.15 126.26 1hlo h HIS 18 Ca -0.00 0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.06 1hlo h HIS 18 Cb 0.49 0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.46 1hlo h HIS 18 CO 0.09 -0.14 0.15 -0.91 0.71 0.00 0.00 177.93 177.84 1hlo h ASN 19 N 0.17 0.92 -0.50 3.26 -0.26 -1.23 -2.16 115.58 115.79 1hlo h ASN 19 Ca 0.36 -0.23 -0.09 0.00 -0.56 0.00 0.00 56.30 55.78 1hlo h ASN 19 Cb 0.59 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1hlo h ASN 19 CO -0.52 0.91 -0.00 0.00 -1.06 0.00 0.00 177.43 176.75 1hlo h ALA 20 N 1.04 0.97 -0.22 -0.83 0.00 0.38 -1.87 119.26 118.73 1hlo h ALA 20 Ca 0.19 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1hlo h ALA 20 Cb 0.34 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hlo h ALA 20 CO 0.00 0.62 -0.28 -0.07 0.00 0.00 0.00 179.25 179.53 1hlo h LEU 21 N 0.86 0.44 -0.59 0.00 3.38 -0.32 -2.21 115.31 116.86 1hlo h LEU 21 Ca 0.16 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1hlo h LEU 21 Cb 0.51 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1hlo h LEU 21 CO 0.03 0.71 -0.60 -0.08 0.09 0.00 0.00 178.44 178.58 1hlo h GLU 22 N 0.38 0.34 -0.58 1.13 4.57 -1.01 -0.41 114.58 119.01 1hlo h GLU 22 Ca 0.05 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1hlo h GLU 22 Cb 0.69 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1hlo h GLU 22 CO 0.05 0.84 0.17 -0.09 -1.18 0.00 0.00 179.01 178.80 1hlo h ARG 23 N 0.26 0.91 -0.65 1.92 2.43 -1.10 -0.09 114.38 118.05 1hlo h ARG 23 Ca -0.00 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.90 1hlo h ARG 23 Cb 1.12 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1hlo h ARG 23 CO 0.10 0.82 0.14 -0.22 -1.51 0.00 0.00 179.97 179.30 1hlo h LYS 24 N 0.82 1.05 0.17 0.20 3.64 -1.16 0.07 116.57 121.37 1hlo h LYS 24 Ca 0.19 -0.26 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1hlo h LYS 24 Cb 0.30 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1hlo h LYS 24 CO -0.00 0.95 -0.08 -0.09 -2.27 0.00 0.00 179.45 177.96 1hlo h ARG 25 N 0.97 -0.22 -0.32 1.90 2.43 -0.41 -1.61 114.38 117.12 1hlo h ARG 25 Ca 0.20 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1hlo h ARG 25 Cb 0.39 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1hlo h ARG 25 CO 0.01 -0.10 0.21 0.00 -1.51 0.00 0.00 179.97 178.58 1hlo h ARG 26 N -0.29 0.31 -0.07 0.20 3.08 -0.75 -1.03 114.38 115.83 1hlo h ARG 26 Ca -0.02 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.85 1hlo h ARG 26 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1hlo h ARG 26 CO 0.04 0.21 -0.64 -0.44 -1.07 0.00 0.00 179.97 178.06 1hlo h ASP 27 N 0.32 0.31 -0.00 7.04 3.32 -0.43 -0.94 116.42 126.04 1hlo h ASP 27 Ca 0.13 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 1hlo h ASP 27 Cb 0.12 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1hlo h ASP 27 CO -0.03 0.87 0.00 -0.74 -1.72 0.00 0.00 179.24 177.62 1hlo h HIS 28 N 0.20 0.00 -0.85 4.55 2.76 -0.26 -1.31 115.15 120.24 1hlo h HIS 28 Ca -0.01 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1hlo h HIS 28 Cb 1.17 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.09 1hlo h HIS 28 CO 0.03 0.23 0.50 0.82 -1.30 0.00 0.00 177.93 178.21 1hlo h ILE 29 N -0.23 1.24 -0.43 6.26 2.04 -1.30 0.15 117.51 125.25 1hlo h ILE 29 Ca 0.00 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1hlo h ILE 29 Cb 0.23 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.34 1hlo h ILE 29 CO 0.00 0.25 0.22 0.50 0.00 0.00 0.00 178.15 179.13 1hlo h LYS 30 N 1.17 0.58 -0.03 2.37 3.64 -1.03 0.10 116.57 123.38 1hlo h LYS 30 Ca 0.30 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1hlo h LYS 30 Cb -0.03 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1hlo h LYS 30 CO -0.06 0.44 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.09 1hlo h ASP 31 N 0.59 0.08 -0.41 4.20 3.45 0.16 -2.39 116.42 122.11 1hlo h ASP 31 Ca 0.15 -0.51 0.07 0.00 0.43 0.00 0.00 57.03 57.18 1hlo h ASP 31 Cb 0.03 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 1hlo h ASP 31 CO -0.02 0.57 0.28 0.28 -1.57 0.00 0.00 179.24 178.77 1hlo h SER 32 N -0.42 0.20 -0.06 6.45 0.02 0.05 0.25 113.55 120.05 1hlo h SER 32 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 1hlo h SER 32 Cb 0.55 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1hlo h SER 32 CO 0.01 0.13 -0.37 -0.26 -1.14 0.00 0.00 176.83 175.19 1hlo h PHE 33 N 0.23 0.67 0.68 3.45 0.04 -0.70 -2.18 116.94 119.12 1hlo h PHE 33 Ca 0.18 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 1hlo h PHE 33 Cb 0.44 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.45 1hlo h PHE 33 CO -0.00 0.86 -0.33 1.25 -0.60 0.00 0.00 178.31 179.49 1hlo h HIS 34 N 0.47 -0.85 -0.83 -0.55 2.76 0.00 -0.57 115.15 115.59 1hlo h HIS 34 Ca 0.05 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1hlo h HIS 34 Cb 0.87 0.28 -0.05 0.00 1.55 0.00 0.00 27.41 30.05 1hlo h HIS 34 CO 0.03 -0.51 0.54 0.77 -1.30 0.00 0.00 177.93 177.46 1hlo h SER 35 N -0.96 0.79 -0.28 3.26 0.02 -1.35 -0.98 113.55 114.04 1hlo h SER 35 Ca -0.09 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1hlo h SER 35 Cb 0.71 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1hlo h SER 35 CO 0.15 0.50 0.04 0.25 -1.14 0.00 0.00 176.83 176.63 1hlo h LEU 36 N 0.89 0.46 -0.29 5.07 6.46 -1.24 -2.19 115.31 124.46 1hlo h LEU 36 Ca 0.36 -0.27 0.07 0.00 -0.12 0.00 0.00 57.88 57.92 1hlo h LEU 36 Cb 0.26 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 39.99 1hlo h LEU 36 CO -0.13 0.61 -0.25 -0.09 -0.62 0.00 0.00 178.44 177.96 1hlo h ARG 37 N 0.29 -0.22 0.00 1.25 2.43 -0.20 -0.65 114.38 117.27 1hlo h ARG 37 Ca 0.08 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1hlo h ARG 37 Cb 0.35 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1hlo h ARG 37 CO 0.01 -0.15 -0.06 -0.44 -1.51 0.00 0.00 179.97 177.82 1hlo h ASP 38 N -0.23 0.00 1.41 -3.80 3.32 -1.12 -2.54 116.42 113.46 1hlo h ASP 38 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1hlo h ASP 38 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1hlo h ASP 38 CO -0.43 0.06 0.00 0.28 -1.72 0.00 0.00 179.24 177.43 1hlo h SER 39 N 0.00 0.00 -3.62 6.45 0.02 -0.47 -3.43 113.55 112.50 1hlo h SER 39 Ca -0.00 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 1hlo h SER 39 Cb 0.45 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.73 1hlo h SER 39 CO 0.01 0.00 -0.56 -0.69 -1.14 0.00 0.00 176.83 174.44 1hlo s VAL 40 N -3.14 4.23 0.67 2.27 1.01 -0.96 -5.00 120.40 119.48 1hlo s VAL 40 Ca 0.10 -0.89 0.39 0.00 0.00 0.00 0.00 61.98 61.58 1hlo s VAL 40 Cb 0.11 -3.33 0.39 0.00 0.00 0.00 0.00 36.38 33.56 1hlo s VAL 40 CO 0.58 -0.14 2.21 1.55 0.00 0.00 0.00 175.10 179.29 1hlo h PRO 41 N 8.33 0.00 0.00 2.72 0.13 -1.83 -2.22 132.00 139.12 1hlo h PRO 41 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1hlo h PRO 41 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1hlo h PRO 41 CO 0.63 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.83 1hlo n SER 42 N -3.05 0.00 -2.42 1.44 7.64 -1.26 -3.38 113.62 112.60 1hlo n SER 42 Ca -0.03 -0.46 -0.03 0.00 1.01 0.00 0.00 58.87 59.36 1hlo n SER 42 Cb 0.18 -0.05 0.08 0.00 -1.01 0.00 0.00 64.21 63.42 1hlo n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hlo n LEU 43 N -1.05 -1.20 -0.49 -3.43 -0.00 -0.87 -5.03 117.00 104.92 1hlo n LEU 43 Ca 0.13 -2.60 0.40 0.00 -0.00 0.00 0.00 56.01 53.94 1hlo n LEU 43 Cb 0.07 0.38 0.66 0.00 -0.00 0.00 0.00 43.42 44.53 1hlo n LEU 43 CO 0.11 1.52 1.19 1.67 -0.00 0.00 0.00 177.39 181.88 1hlo n GLN 44 N -0.88 -0.02 -2.42 1.47 7.27 -1.00 -3.59 117.38 118.21 1hlo n GLN 44 Ca -0.12 1.11 -0.03 0.00 0.07 0.00 0.00 57.00 58.03 1hlo n GLN 44 Cb 0.76 -2.28 0.04 0.00 2.41 0.00 0.00 30.24 31.16 1hlo n GLN 44 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hlo n GLY 45 N -1.58 0.02 3.18 1.69 0.00 -1.26 -3.89 105.19 103.36 1hlo n GLY 45 Ca 0.38 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 1hlo n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1hlo s GLU 46 N 0.07 0.30 3.15 1.61 2.12 -1.24 -5.12 118.70 119.59 1hlo s GLU 46 Ca 0.07 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.20 1hlo s GLU 46 Cb 0.17 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.61 1hlo s GLU 46 CO -0.04 -0.20 0.00 1.63 -0.54 0.00 0.00 175.26 176.10 1hlo n LYS 47 N 4.73 0.00 -1.00 4.30 4.01 -1.26 -4.96 118.16 123.98 1hlo n LYS 47 Ca -0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1hlo n LYS 47 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 1hlo n LYS 47 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1hlo n ALA 48 N 9.24 -2.66 -2.13 7.82 0.00 -1.26 -5.03 120.51 126.49 1hlo n ALA 48 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.32 1hlo n ALA 48 Cb 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 1hlo n ALA 48 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1hlo s SER 49 N -0.35 6.32 0.35 0.00 1.04 -1.26 -4.88 113.70 114.92 1hlo s SER 49 Ca 0.00 1.12 0.10 0.00 0.48 0.00 0.00 55.95 57.65 1hlo s SER 49 Cb 0.00 -2.33 0.84 0.00 0.10 0.00 0.00 66.02 64.63 1hlo s SER 49 CO 0.00 -0.62 1.84 0.03 0.98 0.00 0.00 173.24 175.47 1hlo h ARG 50 N 0.30 0.65 -0.30 4.02 3.08 -2.00 0.47 114.38 120.60 1hlo h ARG 50 Ca -0.46 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.43 1hlo h ARG 50 Cb 1.20 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1hlo h ARG 50 CO 0.62 0.43 -0.29 0.00 -1.07 0.00 0.00 179.97 179.66 1hlo h ALA 51 N 1.61 0.93 -0.52 0.04 0.00 -2.00 -2.43 119.26 116.89 1hlo h ALA 51 Ca 0.49 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1hlo h ALA 51 Cb 0.87 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1hlo h ALA 51 CO -0.25 0.62 -0.04 1.96 0.00 0.00 0.00 179.25 181.53 1hlo h GLN 52 N 0.54 0.94 -0.03 0.00 4.20 -1.30 -0.88 115.11 118.58 1hlo h GLN 52 Ca 0.07 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1hlo h GLN 52 Cb 0.77 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1hlo h GLN 52 CO 0.06 0.98 0.00 0.82 -0.67 0.00 0.00 178.83 180.03 1hlo h ILE 53 N 0.81 0.98 -0.52 2.54 2.04 -1.20 0.57 117.51 122.74 1hlo h ILE 53 Ca 0.14 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1hlo h ILE 53 Cb 0.59 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1hlo h ILE 53 CO 0.04 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.38 1hlo h LEU 54 N 0.01 0.67 -0.06 1.44 -0.00 -1.33 -1.14 115.31 114.91 1hlo h LEU 54 Ca 0.01 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.76 1hlo h LEU 54 Cb 0.01 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 1hlo h LEU 54 CO -0.02 0.60 -0.02 0.44 -0.00 0.00 0.00 178.44 179.43 1hlo h ASP 55 N 0.69 0.12 0.64 -0.43 3.32 -0.93 -2.54 116.42 117.29 1hlo h ASP 55 Ca 0.18 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1hlo h ASP 55 Cb 0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1hlo h ASP 55 CO -0.02 0.49 -0.21 0.11 -1.72 0.00 0.00 179.24 177.88 1hlo h LYS 56 N -0.24 0.00 -0.44 3.56 1.57 0.17 -1.86 116.57 119.33 1hlo h LYS 56 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 1hlo h LYS 56 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1hlo h LYS 56 CO 0.01 0.21 -0.06 0.00 -0.57 0.00 0.00 179.45 179.04 1hlo h ALA 57 N 1.79 0.60 -0.52 3.86 0.00 -1.07 0.86 119.26 124.77 1hlo h ALA 57 Ca -0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1hlo h ALA 57 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1hlo h ALA 57 CO 0.03 0.44 -0.10 1.15 0.00 0.00 0.00 179.25 180.77 1hlo h THR 58 N 0.65 1.27 0.06 0.00 2.02 -1.00 -2.32 112.91 113.58 1hlo h THR 58 Ca 0.12 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 66.07 1hlo h THR 58 Cb 0.58 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1hlo h THR 58 CO 0.03 0.43 -0.08 -0.33 0.37 0.00 0.00 175.52 175.95 1hlo h GLU 59 N 0.86 -0.16 -0.37 6.66 3.07 -1.14 -2.61 114.58 120.89 1hlo h GLU 59 Ca 0.14 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1hlo h GLU 59 Cb 0.64 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 1hlo h GLU 59 CO 0.04 -0.11 0.24 -0.92 -1.40 0.00 0.00 179.01 176.86 1hlo h TYR 60 N -0.16 0.44 -0.87 4.33 3.20 -0.65 -0.93 116.97 122.32 1hlo h TYR 60 Ca 0.01 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.01 1hlo h TYR 60 Cb 0.17 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 1hlo h TYR 60 CO -0.11 0.27 0.50 0.82 -1.64 0.00 0.00 178.16 177.99 1hlo h ILE 61 N 0.48 0.85 -0.34 1.81 2.04 -1.36 0.12 117.51 121.11 1hlo h ILE 61 Ca 0.14 -0.27 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1hlo h ILE 61 Cb -0.03 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1hlo h ILE 61 CO -0.05 0.14 -0.09 1.56 0.00 0.00 0.00 178.15 179.72 1hlo h GLN 62 N 0.78 0.66 0.25 2.37 1.08 -0.95 -1.38 115.11 117.93 1hlo h GLN 62 Ca 0.44 -0.26 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1hlo h GLN 62 Cb 0.50 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1hlo h GLN 62 CO -0.29 0.83 -0.34 -0.92 -0.95 0.00 0.00 178.83 177.16 1hlo h TYR 63 N 0.44 -0.93 -0.59 2.96 -0.00 -0.59 -1.74 116.97 116.53 1hlo h TYR 63 Ca 0.08 0.01 0.11 0.00 -0.00 0.00 0.00 58.73 58.93 1hlo h TYR 63 Cb 0.59 0.38 -0.08 0.00 -0.00 0.00 0.00 36.73 37.62 1hlo h TYR 63 CO 0.05 -0.47 0.13 0.52 -0.00 0.00 0.00 178.16 178.39 1hlo h MET 64 N -0.66 0.26 -0.52 1.82 2.86 -0.90 0.58 114.93 118.38 1hlo h MET 64 Ca -0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1hlo h MET 64 Cb 0.63 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1hlo h MET 64 CO -0.12 0.17 0.26 0.00 1.06 0.00 0.00 176.91 178.28 1hlo h ARG 65 N 0.27 0.49 -0.41 1.72 3.08 -1.06 0.22 114.38 118.69 1hlo h ARG 65 Ca 0.31 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.36 1hlo h ARG 65 Cb 0.44 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1hlo h ARG 65 CO -0.39 0.33 0.21 -0.09 -1.07 0.00 0.00 179.97 178.96 1hlo h ARG 66 N 0.51 0.41 0.00 0.04 2.43 -0.27 -0.88 114.38 116.61 1hlo h ARG 66 Ca 0.23 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1hlo h ARG 66 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1hlo h ARG 66 CO -0.16 0.27 -0.18 -0.22 -1.51 0.00 0.00 179.97 178.17 1hlo h LYS 67 N 0.42 0.00 0.25 0.20 1.63 -0.37 -2.21 116.57 116.49 1hlo h LYS 67 Ca 0.17 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.64 1hlo h LYS 67 Cb 0.08 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1hlo h LYS 67 CO -0.12 0.18 -1.48 -0.97 -3.45 0.00 0.00 179.45 173.61 1hlo h ASN 68 N 0.00 0.84 -0.75 4.20 -1.24 0.51 -2.00 115.58 117.14 1hlo h ASN 68 Ca -0.00 -0.92 -0.02 0.00 0.71 0.00 0.00 56.30 56.07 1hlo h ASN 68 Cb 0.34 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 1hlo h ASN 68 CO 0.02 1.71 0.42 -0.74 -1.29 0.00 0.00 177.43 177.55 1hlo h HIS 69 N 0.13 1.04 -0.42 0.67 2.76 -0.88 -1.26 115.15 117.19 1hlo h HIS 69 Ca -0.26 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 57.82 1hlo h HIS 69 Cb 2.16 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.77 1hlo h HIS 69 CO 0.13 0.73 -0.02 1.15 -1.30 0.00 0.00 177.93 178.62 1hlo h THR 70 N 1.07 1.26 -0.31 6.26 2.02 -1.37 -2.71 112.91 119.13 1hlo h THR 70 Ca 0.27 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.37 1hlo h THR 70 Cb 0.03 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1hlo h THR 70 CO -0.04 0.36 0.12 0.45 0.37 0.00 0.00 175.52 176.78 1hlo h HIS 71 N 0.58 0.47 0.00 3.16 -0.00 -0.80 -2.73 115.15 115.83 1hlo h HIS 71 Ca 0.12 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.43 1hlo h HIS 71 Cb 0.51 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.78 1hlo h HIS 71 CO 0.04 0.46 -0.10 1.96 -0.00 0.00 0.00 177.93 180.29 1hlo h GLN 72 N 0.35 0.00 0.20 2.45 4.20 -1.22 -1.56 115.11 119.52 1hlo h GLN 72 Ca 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1hlo h GLN 72 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1hlo h GLN 72 CO -0.01 0.10 -0.09 1.96 -0.67 0.00 0.00 178.83 180.12 1hlo h GLN 73 N 0.00 -0.25 0.00 1.46 1.08 -1.31 -1.87 115.11 114.21 1hlo h GLN 73 Ca -0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1hlo h GLN 73 Cb 0.39 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1hlo h GLN 73 CO 0.01 0.15 0.10 -0.44 -0.95 0.00 0.00 178.83 177.70 1hlo h ASP 74 N -0.84 0.00 0.00 1.46 3.32 -1.34 0.18 116.42 119.20 1hlo h ASP 74 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1hlo h ASP 74 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1hlo h ASP 74 CO 0.04 0.00 -0.07 0.40 -1.72 0.00 0.00 179.24 177.89 1hlo h ILE 75 N 0.00 0.79 -0.88 0.35 2.04 -1.15 -2.87 117.51 115.78 1hlo h ILE 75 Ca 0.00 -1.61 0.18 0.00 1.00 0.00 0.00 64.86 64.43 1hlo h ILE 75 Cb 0.20 1.50 -0.11 0.00 -0.74 0.00 0.00 36.82 37.68 1hlo h ILE 75 CO 0.00 0.27 0.44 0.44 0.00 0.00 0.00 178.15 179.29 1hlo h ASP 76 N -1.00 0.48 1.68 1.72 5.19 -0.06 0.40 116.42 124.82 1hlo h ASP 76 Ca -0.01 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1hlo h ASP 76 Cb 0.49 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1hlo h ASP 76 CO -0.01 0.14 0.00 0.44 -3.12 0.00 0.00 179.24 176.69 1hlo h ASP 77 N 0.55 0.00 1.03 6.45 3.45 -0.91 -2.03 116.42 124.97 1hlo h ASP 77 Ca 0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.97 1hlo h ASP 77 Cb 0.83 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.60 1hlo h ASP 77 CO -0.43 0.00 -0.93 0.25 -1.57 0.00 0.00 179.24 176.56 1hlo h LEU 78 N 0.00 0.00 -0.44 1.55 5.85 -0.46 -3.02 115.31 118.79 1hlo h LEU 78 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1hlo h LEU 78 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1hlo h LEU 78 CO 0.00 0.01 -0.09 0.29 -0.34 0.00 0.00 178.44 178.31 1hlo n LYS 79 N -2.66 1.03 -0.10 1.25 5.02 0.11 -0.80 118.16 122.00 1hlo n LYS 79 Ca 0.00 -0.44 -0.24 0.00 -2.02 0.00 0.00 58.31 55.61 1hlo n LYS 79 Cb 0.54 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 1hlo n LYS 79 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1hlo n ARG 80 N -0.60 0.61 -0.28 1.97 3.00 -0.80 -4.25 116.66 116.31 1hlo n ARG 80 Ca 0.17 0.39 -0.06 0.00 -0.00 0.00 0.00 57.85 58.34 1hlo n ARG 80 Cb 0.28 -1.64 0.06 0.00 0.00 0.00 0.00 32.46 31.16 1hlo n ARG 80 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1hlo h GLN 81 N -0.74 1.17 -0.00 -0.14 4.20 -1.48 -3.51 115.11 114.60 1hlo h GLN 81 Ca -0.50 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 57.97 1hlo h GLN 81 Cb 1.57 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1hlo h GLN 81 CO -0.22 0.98 0.00 -1.71 -0.67 0.00 0.00 178.83 177.21