#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h7c h ARG 5 N 0.00 0.00 -0.48 -0.52 3.08 -2.06 -2.77 114.38 111.63 1h7c h ARG 5 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1h7c h ARG 5 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1h7c h ARG 5 CO 0.00 0.35 -0.11 0.28 -1.07 0.00 0.00 179.97 179.41 1h7c h VAL 6 N 0.00 1.27 -0.41 2.04 2.07 -2.02 -2.05 116.25 117.16 1h7c h VAL 6 Ca -0.00 -1.25 0.05 0.00 0.82 0.00 0.00 66.70 66.33 1h7c h VAL 6 Cb 0.87 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 1h7c h VAL 6 CO 0.05 0.43 0.12 -0.09 0.02 0.00 0.00 177.57 178.10 1h7c h ARG 7 N 0.78 0.27 -0.94 1.57 9.65 -1.94 -0.95 114.38 122.82 1h7c h ARG 7 Ca 0.12 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1h7c h ARG 7 Cb 0.67 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.14 1h7c h ARG 7 CO 0.05 0.18 0.58 0.37 2.80 0.00 0.00 179.97 183.95 1h7c h GLN 8 N 0.28 1.26 -0.16 0.20 4.15 -1.38 -1.07 115.11 118.39 1h7c h GLN 8 Ca 0.19 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1h7c h GLN 8 Cb 0.20 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1h7c h GLN 8 CO -0.21 0.87 0.09 0.82 -1.93 0.00 0.00 178.83 178.46 1h7c h ILE 9 N 1.29 1.09 -0.27 2.39 1.08 -0.56 -0.67 117.51 121.86 1h7c h ILE 9 Ca 0.34 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1h7c h ILE 9 Cb -0.09 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1h7c h ILE 9 CO -0.07 0.08 0.16 0.50 -0.69 0.00 0.00 178.15 178.14 1h7c h LYS 10 N 0.17 0.37 0.09 2.37 1.63 -0.83 -0.71 116.57 119.64 1h7c h LYS 10 Ca 0.06 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1h7c h LYS 10 Cb 0.06 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1h7c h LYS 10 CO -0.01 0.28 -0.07 0.82 -3.45 0.00 0.00 179.45 177.03 1h7c h ILE 11 N 0.34 0.85 -0.08 2.00 1.08 -1.05 -0.46 117.51 120.18 1h7c h ILE 11 Ca 0.10 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.55 1h7c h ILE 11 Cb 0.01 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1h7c h ILE 11 CO -0.02 0.00 -0.05 0.11 -0.69 0.00 0.00 178.15 177.50 1h7c h LYS 12 N -0.16 0.12 -0.31 2.37 1.57 -1.02 0.01 116.57 119.15 1h7c h LYS 12 Ca -0.00 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1h7c h LYS 12 Cb 0.15 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1h7c h LYS 12 CO -0.01 0.18 -0.50 1.15 -0.57 0.00 0.00 179.45 179.71 1h7c h THR 13 N 0.12 1.27 -0.58 -0.16 2.02 -0.75 -2.24 112.91 112.60 1h7c h THR 13 Ca 0.03 -1.68 -0.02 0.00 0.77 0.00 0.00 66.41 65.51 1h7c h THR 13 Cb 0.17 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1h7c h THR 13 CO 0.01 0.55 0.27 1.23 0.37 0.00 0.00 175.52 177.95 1h7c h GLY 14 N 0.74 0.88 0.89 2.16 0.00 0.37 -1.04 103.07 107.06 1h7c h GLY 14 Ca 0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1h7c h GLY 14 CO 0.11 0.40 0.06 -2.08 0.00 0.00 0.00 176.54 175.03 1h7c h VAL 15 N 0.82 1.22 -0.48 4.60 2.07 -0.84 -2.05 116.25 121.60 1h7c h VAL 15 Ca 0.20 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1h7c h VAL 15 Cb 0.10 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1h7c h VAL 15 CO -0.02 0.25 0.26 0.58 0.02 0.00 0.00 177.57 178.65 1h7c h VAL 16 N 0.32 1.17 -0.63 2.57 2.07 -0.97 -1.46 116.25 119.32 1h7c h VAL 16 Ca 0.09 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1h7c h VAL 16 Cb 0.31 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1h7c h VAL 16 CO 0.00 0.18 0.31 0.03 0.02 0.00 0.00 177.57 178.11 1h7c h ARG 17 N 0.63 0.54 -0.61 1.57 3.08 -1.06 0.28 114.38 118.81 1h7c h ARG 17 Ca 0.17 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 1h7c h ARG 17 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1h7c h ARG 17 CO -0.03 0.36 0.13 0.00 -1.07 0.00 0.00 179.97 179.36 1h7c h ARG 18 N 0.56 0.99 -0.10 0.04 3.08 -1.02 -2.26 114.38 115.66 1h7c h ARG 18 Ca 0.30 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1h7c h ARG 18 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1h7c h ARG 18 CO -0.23 0.91 -0.36 -0.07 -1.07 0.00 0.00 179.97 179.15 1h7c h LEU 19 N 0.90 0.22 -0.34 3.04 3.38 -0.63 -1.62 115.31 120.25 1h7c h LEU 19 Ca 0.19 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1h7c h LEU 19 Cb 0.38 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1h7c h LEU 19 CO 0.01 0.57 -0.06 0.58 0.09 0.00 0.00 178.44 179.62 1h7c h VAL 20 N 0.18 1.27 -0.52 1.22 2.07 -0.71 -1.73 116.25 118.03 1h7c h VAL 20 Ca 0.02 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.33 1h7c h VAL 20 Cb 0.73 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1h7c h VAL 20 CO 0.06 0.36 -0.10 0.11 0.02 0.00 0.00 177.57 178.01 1h7c h LYS 21 N 0.44 0.97 -0.64 1.57 1.79 -1.21 -1.17 116.57 118.32 1h7c h LYS 21 Ca 0.09 -0.35 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 1h7c h LYS 21 Cb 0.56 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 1h7c h LYS 21 CO 0.03 1.02 0.30 0.93 -1.08 0.00 0.00 179.45 180.64 1h7c h GLU 22 N 0.87 0.93 -0.24 3.15 5.08 -1.23 -2.58 114.58 120.56 1h7c h GLU 22 Ca 0.14 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1h7c h GLU 22 Cb 0.65 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1h7c h GLU 22 CO 0.05 0.75 0.14 -0.09 -1.00 0.00 0.00 179.01 178.86 1h7c h ARG 23 N 0.89 0.32 -0.26 2.33 2.43 -1.08 -1.31 114.38 117.70 1h7c h ARG 23 Ca 0.22 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1h7c h ARG 23 Cb 0.14 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1h7c h ARG 23 CO -0.03 0.27 0.00 0.28 -1.51 0.00 0.00 179.97 178.98 1h7c n VAL 24 N -4.89 0.00 0.00 0.20 0.31 -0.46 -0.95 118.33 112.54 1h7c n VAL 24 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1h7c n VAL 24 Cb 0.06 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1h7c n VAL 24 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1h7c n TYR 26 N 0.50 0.00 -0.30 3.52 0.53 -0.49 -0.84 117.16 120.07 1h7c n TYR 26 Ca 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 56.83 1h7c n TYR 26 Cb 0.00 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.38 1h7c n TYR 26 CO 0.00 0.00 0.00 0.93 -1.02 0.00 0.00 176.86 176.77 1h7c h GLU 27 N 0.00 1.17 -0.12 -0.72 5.08 -1.29 0.10 114.58 118.80 1h7c h GLU 27 Ca 0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1h7c h GLU 27 Cb 0.00 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1h7c h GLU 27 CO 0.00 0.87 0.02 -0.22 -1.00 0.00 0.00 179.01 178.68 1h7c h LYS 28 N 1.16 0.19 -0.40 2.33 3.64 -1.21 -0.26 116.57 122.03 1h7c h LYS 28 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1h7c h LYS 28 Cb 0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1h7c h LYS 28 CO -0.04 0.38 0.25 1.49 -2.27 0.00 0.00 179.45 179.26 1h7c h GLU 29 N -0.03 0.53 -0.55 1.90 4.81 -1.73 -1.59 114.58 117.92 1h7c h GLU 29 Ca 0.04 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1h7c h GLU 29 Cb 0.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1h7c h GLU 29 CO 0.00 0.37 -0.00 0.00 -0.73 0.00 0.00 179.01 178.65 1h7c h ALA 30 N 1.13 0.74 -0.35 2.92 0.00 -0.74 -2.08 119.26 120.89 1h7c h ALA 30 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1h7c h ALA 30 Cb -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1h7c h ALA 30 CO -0.03 0.57 0.22 -0.22 0.00 0.00 0.00 179.25 179.79 1h7c h LYS 31 N 0.86 0.47 -0.55 0.00 3.64 -0.86 0.29 116.57 120.41 1h7c h LYS 31 Ca 0.16 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1h7c h LYS 31 Cb 0.54 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1h7c h LYS 31 CO 0.03 0.33 0.24 0.37 -2.27 0.00 0.00 179.45 178.15 1h7c h GLN 32 N 0.46 0.81 -0.11 1.90 4.15 -1.19 -1.55 115.11 119.58 1h7c h GLN 32 Ca 0.13 -0.14 -0.16 0.00 0.77 0.00 0.00 58.65 59.25 1h7c h GLN 32 Cb -0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1h7c h GLN 32 CO -0.03 0.69 -0.60 0.37 -1.93 0.00 0.00 178.83 177.34 1h7c h GLN 33 N 0.75 0.38 -0.31 1.69 5.75 -1.18 -2.49 115.11 119.70 1h7c h GLN 33 Ca 0.19 -0.26 -0.11 0.00 -0.15 0.00 0.00 58.65 58.32 1h7c h GLN 33 Cb 0.16 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1h7c h GLN 33 CO -0.02 0.87 -0.28 1.49 -2.65 0.00 0.00 178.83 178.24 1h7c h GLU 34 N 0.28 0.63 -0.75 1.69 4.57 -0.76 -1.29 114.58 118.95 1h7c h GLU 34 Ca -0.00 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.86 1h7c h GLU 34 Cb 1.12 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 1h7c h GLU 34 CO 0.10 0.84 0.26 0.93 -1.18 0.00 0.00 179.01 179.96 1h7c h GLU 35 N 0.54 1.15 -0.74 1.92 5.08 -1.15 0.11 114.58 121.50 1h7c h GLU 35 Ca 0.07 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1h7c h GLU 35 Cb 0.75 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1h7c h GLU 35 CO 0.06 0.96 0.22 -0.22 -1.00 0.00 0.00 179.01 179.04 1h7c h LYS 36 N 1.11 1.15 -0.30 2.33 3.64 -1.09 0.39 116.57 123.79 1h7c h LYS 36 Ca 0.25 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1h7c h LYS 36 Cb 0.27 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1h7c h LYS 36 CO -0.01 0.98 -0.05 0.82 -2.27 0.00 0.00 179.45 178.92 1h7c h ILE 37 N 1.10 1.27 -0.97 2.00 2.04 -0.76 -2.93 117.51 119.27 1h7c h ILE 37 Ca 0.24 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1h7c h ILE 37 Cb 0.32 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 1h7c h ILE 37 CO -0.01 0.34 0.63 -0.33 0.00 0.00 0.00 178.15 178.79 1h7c h GLU 38 N 0.35 1.28 -1.13 2.37 5.08 -0.49 -0.78 114.58 121.26 1h7c h GLU 38 Ca 0.08 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h7c h GLU 38 Cb 0.52 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1h7c h GLU 38 CO 0.03 0.86 0.00 1.63 -1.00 0.00 0.00 179.01 180.52 1h7c n LYS 39 N -4.40 0.18 0.00 2.33 5.02 0.10 -2.13 118.16 119.27 1h7c n LYS 39 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1h7c n LYS 39 Cb 0.02 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1h7c n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1h7c n ARG 41 N 0.70 0.00 0.17 1.97 1.74 -0.30 -3.03 116.66 117.91 1h7c n ARG 41 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 1h7c n ARG 41 Cb 0.07 0.00 0.48 0.00 -1.02 0.00 0.00 32.46 32.00 1h7c n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h7c h ALA 42 N 0.00 1.00 -0.35 7.54 0.00 -1.69 0.16 119.26 125.91 1h7c h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h7c h ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1h7c h ALA 42 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 1h7c n GLU 43 N -2.55 0.00 -0.60 0.00 1.02 -1.17 -4.74 120.64 112.60 1h7c n GLU 43 Ca 0.03 0.13 0.02 0.00 -0.02 0.00 0.00 57.16 57.32 1h7c n GLU 43 Cb 0.33 -0.59 0.20 0.00 -0.02 0.00 0.00 31.44 31.36 1h7c n GLU 43 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1h7c n ASP 44 N -2.22 2.42 0.00 1.62 3.85 -1.26 -5.09 116.55 115.88 1h7c n ASP 44 Ca 0.00 -3.62 0.00 0.00 -0.71 0.00 0.00 54.79 50.46 1h7c n ASP 44 Cb 0.00 -0.57 0.00 0.00 -1.35 0.00 0.00 41.12 39.20 1h7c n ASP 44 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1h7c n GLY 45 N -1.09 1.10 3.55 6.12 0.00 0.04 -4.24 105.19 110.68 1h7c n GLY 45 Ca 0.25 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 1h7c n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h7c s GLU 46 N 0.00 3.12 0.34 1.61 2.56 -1.26 -4.28 118.70 120.79 1h7c s GLU 46 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.97 54.90 1h7c s GLU 46 Cb 0.00 -4.20 -0.02 0.00 2.00 0.00 0.00 34.13 31.90 1h7c s GLU 46 CO 0.00 -2.22 0.33 -0.80 -0.56 0.00 0.00 175.26 172.01 1h7c s ASN 47 N 4.30 1.54 0.21 -1.70 0.01 -1.26 -5.07 114.94 112.98 1h7c s ASN 47 Ca 0.39 -1.71 -0.20 0.00 -0.71 0.00 0.00 52.86 50.63 1h7c s ASN 47 Cb -0.09 0.59 0.17 0.00 0.41 0.00 0.00 41.25 42.34 1h7c s ASN 47 CO 0.16 -1.13 1.55 0.22 -1.51 0.00 0.00 177.10 176.39 1h7c h TYR 48 N 2.12 -1.26 0.00 2.20 3.20 -1.94 -0.94 116.97 120.35 1h7c h TYR 48 Ca -0.26 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1h7c h TYR 48 Cb 1.23 0.69 0.00 0.00 1.54 0.00 0.00 36.73 40.19 1h7c h TYR 48 CO 1.71 -0.40 0.24 -0.44 -1.64 0.00 0.00 178.16 177.63 1h7c h ASP 49 N -0.01 0.00 0.30 -2.11 3.32 -1.98 -0.88 116.42 115.07 1h7c h ASP 49 Ca 0.31 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 1h7c h ASP 49 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1h7c h ASP 49 CO -0.97 0.00 -0.36 0.40 -1.72 0.00 0.00 179.24 176.59 1h7c h ILE 50 N 0.00 1.27 -0.22 0.35 1.08 -1.52 -3.14 117.51 115.33 1h7c h ILE 50 Ca 0.00 -1.29 0.04 0.00 -0.39 0.00 0.00 64.86 63.21 1h7c h ILE 50 Cb 0.49 1.64 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 1h7c h ILE 50 CO 0.00 0.38 0.00 0.11 -0.69 0.00 0.00 178.15 177.95 1h7c h LYS 51 N 0.08 0.07 -0.41 2.37 6.56 -1.31 0.15 116.57 124.08 1h7c h LYS 51 Ca 0.01 -0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1h7c h LYS 51 Cb 0.67 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 1h7c h LYS 51 CO 0.05 0.05 0.26 -0.22 -2.06 0.00 0.00 179.45 177.53 1h7c h LYS 52 N 0.07 0.52 -0.28 3.15 3.64 -1.72 -1.84 116.57 120.11 1h7c h LYS 52 Ca 0.10 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1h7c h LYS 52 Cb 0.13 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1h7c h LYS 52 CO -0.17 0.34 -0.10 1.96 -2.27 0.00 0.00 179.45 179.21 1h7c h GLN 53 N 0.53 0.46 -0.49 1.90 1.08 -1.42 -2.40 115.11 114.77 1h7c h GLN 53 Ca 0.16 -0.12 -0.10 0.00 -1.45 0.00 0.00 58.65 57.14 1h7c h GLN 53 Cb -0.04 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1h7c h GLN 53 CO -0.05 0.57 -0.08 0.00 -0.95 0.00 0.00 178.83 178.32 1h7c h ALA 54 N 1.46 0.94 -0.41 3.87 0.00 -0.28 -0.19 119.26 124.65 1h7c h ALA 54 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1h7c h ALA 54 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1h7c h ALA 54 CO 0.02 0.62 0.19 0.93 0.00 0.00 0.00 179.25 181.02 1h7c h GLU 55 N 0.79 0.58 -0.49 0.00 5.08 -0.87 -0.34 114.58 119.34 1h7c h GLU 55 Ca 0.14 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1h7c h GLU 55 Cb 0.59 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1h7c h GLU 55 CO 0.04 0.51 0.20 0.82 -1.00 0.00 0.00 179.01 179.58 1h7c h ILE 56 N 0.51 1.21 -0.24 3.13 2.04 -1.22 -2.92 117.51 120.03 1h7c h ILE 56 Ca 0.14 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.36 1h7c h ILE 56 Cb 0.12 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1h7c h ILE 56 CO -0.02 0.24 0.14 0.25 0.00 0.00 0.00 178.15 178.77 1h7c h LEU 57 N 0.65 0.24 -1.84 1.44 5.85 -0.71 -2.67 115.31 118.26 1h7c h LEU 57 Ca 0.16 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1h7c h LEU 57 Cb 0.19 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1h7c h LEU 57 CO -0.01 0.18 0.27 1.56 -0.34 0.00 0.00 178.44 180.09 1h7c h GLN 58 N 0.30 0.18 -0.87 1.25 4.20 -0.90 -0.60 115.11 118.66 1h7c h GLN 58 Ca 0.09 -0.01 0.25 0.00 0.06 0.00 0.00 58.65 59.04 1h7c h GLN 58 Cb -0.01 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1h7c h GLN 58 CO -0.04 0.12 0.62 0.93 -0.67 0.00 0.00 178.83 179.79 1h7c h GLU 59 N 0.19 0.06 0.00 1.46 5.08 -1.29 -3.06 114.58 117.02 1h7c h GLU 59 Ca 0.18 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.24 1h7c h GLU 59 Cb 0.47 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1h7c h GLU 59 CO -0.03 0.04 -1.99 -1.13 -1.00 0.00 0.00 179.01 174.90 1h7c n SER 60 N -4.31 1.51 -4.55 1.42 3.41 -0.69 -5.06 113.62 105.35 1h7c n SER 60 Ca 0.18 0.16 -0.15 0.00 -0.26 0.00 0.00 58.87 58.81 1h7c n SER 60 Cb 0.90 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 64.28 1h7c n SER 60 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1h7c n ARG 61 N -3.66 0.49 0.00 4.33 0.63 -0.32 -4.89 116.66 113.24 1h7c n ARG 61 Ca -0.34 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 55.86 1h7c n ARG 61 Cb 0.76 -3.33 0.00 0.00 0.45 0.00 0.00 32.46 30.34 1h7c n ARG 61 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1h7c n ILE 64 N 8.35 0.00 -0.22 5.15 5.41 -1.26 -5.03 119.36 131.76 1h7c n ILE 64 Ca 0.50 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 64.24 1h7c n ILE 64 Cb 0.39 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.43 1h7c n ILE 64 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1h7c h PRO 65 N 0.00 0.54 -0.59 0.38 0.11 -2.00 -0.53 132.00 129.92 1h7c h PRO 65 Ca 0.00 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 1h7c h PRO 65 Cb 0.00 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 1h7c h PRO 65 CO 0.00 0.36 0.15 0.22 -0.21 0.00 0.00 178.00 178.52 1h7c h ASP 66 N 0.56 0.88 -0.67 -2.05 3.58 -1.99 -1.56 116.42 115.17 1h7c h ASP 66 Ca 0.31 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 1h7c h ASP 66 Cb 0.30 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.09 1h7c h ASP 66 CO -0.24 0.88 0.36 0.00 -2.88 0.00 0.00 179.24 177.36 1h7c h GLN 68 N 0.92 0.97 -0.23 0.00 4.20 -0.87 -0.71 115.11 119.38 1h7c h GLN 68 Ca 0.24 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1h7c h GLN 68 Cb 0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1h7c h GLN 68 CO -0.04 0.85 0.11 0.00 -0.67 0.00 0.00 178.83 179.08 1h7c h ARG 69 N 0.89 0.34 -0.56 1.46 3.08 -0.88 -0.76 114.38 117.95 1h7c h ARG 69 Ca 0.20 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.18 1h7c h ARG 69 Cb 0.28 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1h7c h ARG 69 CO -0.01 0.36 0.28 0.00 -1.07 0.00 0.00 179.97 179.54 1h7c h ARG 70 N 0.24 0.80 -0.37 0.04 3.08 -0.94 -1.83 114.38 115.40 1h7c h ARG 70 Ca 0.08 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1h7c h ARG 70 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1h7c h ARG 70 CO -0.01 0.65 0.19 1.25 -1.07 0.00 0.00 179.97 180.97 1h7c h LEU 71 N 0.76 0.47 -0.90 3.04 5.85 -0.95 -1.11 115.31 122.48 1h7c h LEU 71 Ca 0.19 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1h7c h LEU 71 Cb 0.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1h7c h LEU 71 CO -0.03 0.45 0.56 -0.08 -0.34 0.00 0.00 178.44 179.00 1h7c h GLU 72 N 0.46 1.22 -0.30 1.25 4.57 -0.99 0.12 114.58 120.92 1h7c h GLU 72 Ca 0.13 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1h7c h GLU 72 Cb 0.09 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1h7c h GLU 72 CO -0.02 0.84 0.02 0.00 -1.18 0.00 0.00 179.01 178.67 1h7c h ALA 73 N 1.30 0.40 -0.23 2.92 0.00 -1.09 -0.50 119.26 122.06 1h7c h ALA 73 Ca 0.33 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1h7c h ALA 73 Cb -0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h7c h ALA 73 CO -0.06 0.13 -0.25 0.00 0.00 0.00 0.00 179.25 179.06 1h7c h ALA 74 N 0.85 1.14 0.10 0.00 0.00 -0.94 -0.55 119.26 119.86 1h7c h ALA 74 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1h7c h ALA 74 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1h7c h ALA 74 CO 0.01 0.54 -0.05 -0.92 0.00 0.00 0.00 179.25 178.84 1h7c h TYR 75 N 0.39 -0.13 -0.66 0.00 5.03 -0.56 -1.40 116.97 119.63 1h7c h TYR 75 Ca 0.06 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 1h7c h TYR 75 Cb 0.65 0.04 -0.03 0.00 1.55 0.00 0.00 36.73 38.94 1h7c h TYR 75 CO 0.02 0.19 0.28 -0.07 -1.32 0.00 0.00 178.16 177.25 1h7c h LEU 76 N -0.44 0.88 -0.05 2.82 3.38 -0.98 -0.08 115.31 120.83 1h7c h LEU 76 Ca -0.01 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1h7c h LEU 76 Cb 0.37 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1h7c h LEU 76 CO 0.02 0.78 0.02 -0.78 0.09 0.00 0.00 178.44 178.57 1h7c h ASP 77 N 0.95 0.07 -0.60 -0.43 3.58 -1.03 -0.38 116.42 118.58 1h7c h ASP 77 Ca 0.23 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1h7c h ASP 77 Cb 0.16 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1h7c h ASP 77 CO -0.02 0.25 0.14 0.25 -2.88 0.00 0.00 179.24 176.99 1h7c h LEU 78 N -0.11 0.94 -0.78 2.28 5.85 -1.03 -1.18 115.31 121.29 1h7c h LEU 78 Ca 0.02 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1h7c h LEU 78 Cb 0.21 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1h7c h LEU 78 CO -0.00 0.91 0.41 -0.61 -0.34 0.00 0.00 178.44 178.81 1h7c h GLN 79 N 0.95 1.10 -0.38 1.25 4.15 -0.85 -1.42 115.11 119.90 1h7c h GLN 79 Ca 0.20 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1h7c h GLN 79 Cb 0.35 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1h7c h GLN 79 CO 0.00 0.83 0.05 -0.09 -1.93 0.00 0.00 178.83 177.68 1h7c h ARG 80 N 1.08 0.64 -0.48 1.69 2.43 -0.63 -1.70 114.38 117.41 1h7c h ARG 80 Ca 0.27 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1h7c h ARG 80 Cb 0.06 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 1h7c h ARG 80 CO -0.04 0.71 0.31 0.82 -1.51 0.00 0.00 179.97 180.26 1h7c h ILE 81 N 0.47 1.13 -0.66 1.20 5.03 -0.93 0.37 117.51 124.12 1h7c h ILE 81 Ca 0.11 -0.27 -0.06 0.00 -0.12 0.00 0.00 64.86 64.53 1h7c h ILE 81 Cb 0.39 0.45 -0.03 0.00 -3.03 0.00 0.00 36.82 34.60 1h7c h ILE 81 CO 0.01 0.13 0.19 -0.07 -0.68 0.00 0.00 178.15 177.73 1h7c h LEU 82 N 0.65 0.96 -1.05 1.44 3.38 -1.18 -1.98 115.31 117.54 1h7c h LEU 82 Ca 0.18 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1h7c h LEU 82 Cb -0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1h7c h LEU 82 CO -0.04 0.91 -0.47 -0.33 0.09 0.00 0.00 178.44 178.60 1h7c h GLU 83 N 0.99 0.00 -0.13 1.13 5.08 -0.79 -3.01 114.58 117.84 1h7c h GLU 83 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1h7c h GLU 83 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1h7c h GLU 83 CO -0.00 0.47 0.00 -1.71 -1.00 0.00 0.00 179.01 176.77 1h7c n ASN 84 N -3.96 2.17 -2.61 1.42 5.15 0.07 -4.18 115.26 113.33 1h7c n ASN 84 Ca -0.02 -1.75 -0.13 0.00 -0.60 0.00 0.00 54.58 52.09 1h7c n ASN 84 Cb 0.49 -0.07 0.02 0.00 -0.53 0.00 0.00 39.78 39.69 1h7c n ASN 84 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1h7c n GLU 85 N 0.67 1.87 0.34 1.20 1.02 -0.78 -4.90 120.64 120.05 1h7c n GLU 85 Ca 0.17 -3.62 0.22 0.00 -0.02 0.00 0.00 57.16 53.91 1h7c n GLU 85 Cb 0.44 -1.57 1.17 0.00 -0.02 0.00 0.00 31.44 31.46 1h7c n GLU 85 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1h7c h LYS 86 N 2.82 0.00 0.00 3.49 3.64 -1.72 -1.35 116.57 123.45 1h7c h LYS 86 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1h7c h LYS 86 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1h7c h LYS 86 CO 0.56 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.34 1h7c n ASP 87 N -3.10 0.10 -0.79 4.20 5.75 -1.26 -2.18 116.55 119.27 1h7c n ASP 87 Ca -0.03 0.53 0.08 0.00 -0.01 0.00 0.00 54.79 55.36 1h7c n ASP 87 Cb 0.11 -0.55 0.15 0.00 -1.03 0.00 0.00 41.12 39.80 1h7c n ASP 87 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1h7c n LEU 88 N -1.62 2.86 0.33 -2.12 4.77 -0.51 -4.68 117.00 116.04 1h7c n LEU 88 Ca 0.03 -1.50 0.12 0.00 -0.03 0.00 0.00 56.01 54.63 1h7c n LEU 88 Cb 0.16 -0.17 0.63 0.00 -2.33 0.00 0.00 43.42 41.72 1h7c n LEU 88 CO 0.13 0.63 1.09 1.05 -1.33 0.00 0.00 177.39 178.96 1h7c h GLU 89 N 3.08 0.00 -0.00 3.23 4.11 -1.57 0.11 114.58 123.54 1h7c h GLU 89 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1h7c h GLU 89 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1h7c h GLU 89 CO 0.00 0.00 -0.53 0.39 0.07 0.00 0.00 179.01 178.94 1h7c n GLU 90 N -2.78 0.01 -2.21 1.06 -0.58 -1.26 -4.51 120.64 110.37 1h7c n GLU 90 Ca -0.02 -0.01 -0.40 0.00 -0.42 0.00 0.00 57.16 56.32 1h7c n GLU 90 Cb 0.51 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.86 1h7c n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h7c s ALA 91 N -2.99 3.36 0.23 0.62 0.00 0.39 -4.92 121.76 118.45 1h7c s ALA 91 Ca 0.11 1.12 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 1h7c s ALA 91 Cb 0.17 -3.43 0.30 0.00 0.00 0.00 0.00 23.12 20.17 1h7c s ALA 91 CO 0.71 -0.55 1.82 1.49 0.00 0.00 0.00 175.76 179.22 1h7c h GLU 92 N 3.17 0.76 -0.37 0.00 4.57 -1.91 -1.63 114.58 119.17 1h7c h GLU 92 Ca -0.49 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.61 1h7c h GLU 92 Cb 1.23 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1h7c h GLU 92 CO 0.65 0.50 0.06 1.05 -1.18 0.00 0.00 179.01 180.09 1h7c h GLU 93 N 0.78 0.55 -0.18 1.92 9.09 -1.94 0.64 114.58 125.44 1h7c h GLU 93 Ca 0.34 -0.10 -0.04 0.00 0.05 0.00 0.00 59.36 59.61 1h7c h GLU 93 Cb 0.23 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 1h7c h GLU 93 CO -0.20 0.53 -0.05 -0.92 0.05 0.00 0.00 179.01 178.42 1h7c h TYR 94 N 0.54 0.39 -0.34 2.06 5.03 -1.60 0.55 116.97 123.60 1h7c h TYR 94 Ca 0.12 -0.09 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 1h7c h TYR 94 Cb 0.25 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 1h7c h TYR 94 CO 0.01 0.61 -0.09 0.87 -1.32 0.00 0.00 178.16 178.25 1h7c h LYS 95 N 0.06 0.57 -0.35 1.82 1.57 -1.04 -1.61 116.57 117.59 1h7c h LYS 95 Ca 0.05 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1h7c h LYS 95 Cb 0.49 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1h7c h LYS 95 CO 0.02 0.66 0.04 0.93 -0.57 0.00 0.00 179.45 180.53 1h7c h GLU 96 N 0.53 0.60 -0.74 3.15 4.39 -0.69 -2.58 114.58 119.23 1h7c h GLU 96 Ca 0.10 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1h7c h GLU 96 Cb 0.47 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1h7c h GLU 96 CO 0.03 0.68 0.48 0.00 -1.16 0.00 0.00 179.01 179.04 1h7c h ALA 97 N 0.89 0.95 -0.86 3.43 0.00 -0.45 -1.87 119.26 121.35 1h7c h ALA 97 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h7c h ALA 97 Cb 0.39 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1h7c h ALA 97 CO 0.01 0.30 0.50 -0.09 0.00 0.00 0.00 179.25 179.98 1h7c h ARG 98 N 0.95 1.18 -0.55 0.00 9.65 -1.19 -1.10 114.38 123.31 1h7c h ARG 98 Ca 0.28 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 59.02 1h7c h ARG 98 Cb -0.05 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.26 1h7c h ARG 98 CO -0.08 0.84 0.22 1.25 2.80 0.00 0.00 179.97 185.00 1h7c h LEU 99 N 1.19 0.76 -0.27 3.80 5.85 -0.96 -1.59 115.31 124.09 1h7c h LEU 99 Ca 0.31 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1h7c h LEU 99 Cb -0.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1h7c h LEU 99 CO -0.05 0.72 0.10 0.58 -0.34 0.00 0.00 178.44 179.44 1h7c h VAL 100 N 0.75 1.19 -0.49 1.05 2.07 -0.86 -1.21 116.25 118.76 1h7c h VAL 100 Ca 0.18 -0.59 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1h7c h VAL 100 Cb 0.19 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1h7c h VAL 100 CO -0.02 0.20 0.25 -0.07 0.02 0.00 0.00 177.57 177.95 1h7c h LEU 101 N 0.28 0.36 -1.25 2.57 3.38 -1.05 -1.01 115.31 118.59 1h7c h LEU 101 Ca 0.09 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1h7c h LEU 101 Cb 0.21 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1h7c h LEU 101 CO -0.00 0.25 -0.02 -2.24 0.09 0.00 0.00 178.44 176.51 1h7c h ASP 102 N 0.49 0.00 1.50 -0.43 -0.00 -1.16 -1.70 116.42 115.12 1h7c h ASP 102 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 57.19 1h7c h ASP 102 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.44 1h7c h ASP 102 CO -0.15 0.02 -0.24 0.28 -0.00 0.00 0.00 179.24 179.15 1h7c h SER 103 N 0.00 0.00 -0.03 4.15 0.02 0.06 -2.19 113.55 115.56 1h7c h SER 103 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1h7c h SER 103 Cb 0.60 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.15 1h7c h SER 103 CO 0.00 0.24 -0.66 0.58 -1.14 0.00 0.00 176.83 175.86 1h7c h VAL 104 N 0.00 1.38 -0.28 2.27 2.07 -0.65 -3.28 116.25 117.76 1h7c h VAL 104 Ca -0.00 -2.03 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 1h7c h VAL 104 Cb 1.06 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1h7c h VAL 104 CO 0.03 0.61 0.14 0.11 0.02 0.00 0.00 177.57 178.47 1h7c h LYS 105 N 0.06 0.41 0.00 1.57 1.57 -1.38 -3.52 116.57 115.28 1h7c h LYS 105 Ca -0.07 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1h7c h LYS 105 Cb 1.34 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1h7c h LYS 105 CO 0.13 0.39 0.00 -0.11 -0.57 0.00 0.00 179.45 179.29