#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hd7 n SER 27 N 0.00 0.00 -1.39 1.61 7.64 -1.26 -2.72 113.62 117.50 3hd7 n SER 27 Ca 0.00 -0.08 -0.07 0.00 1.01 0.00 0.00 58.87 59.73 3hd7 n SER 27 Cb 0.00 -0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.05 3hd7 n SER 27 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3hd7 n HIS 28 N -1.22 1.05 -0.06 1.43 8.25 -1.26 -2.08 115.22 121.32 3hd7 n HIS 28 Ca 0.09 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.64 3hd7 n HIS 28 Cb 0.11 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3hd7 n HIS 28 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 3hd7 n MET 29 N -0.05 3.33 0.06 -0.41 0.00 -1.10 -4.68 117.12 114.27 3hd7 n MET 29 Ca 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 57.70 57.83 3hd7 n MET 29 Cb 0.88 -0.28 -0.11 0.00 0.00 0.00 0.00 33.22 33.71 3hd7 n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hd7 h ARG 30 N 0.00 0.00 -0.15 2.12 2.47 -1.65 -2.66 114.38 114.52 3hd7 h ARG 30 Ca 0.00 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 3hd7 h ARG 30 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3hd7 h ARG 30 CO 0.00 1.00 -0.40 0.00 0.56 0.00 0.00 179.97 181.12 3hd7 h ARG 31 N 0.00 0.34 -0.11 0.04 3.08 -1.71 -0.49 114.38 115.53 3hd7 h ARG 31 Ca -0.01 -0.16 -0.22 0.00 0.07 0.00 0.00 59.98 59.65 3hd7 h ARG 31 Cb 1.76 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.82 3hd7 h ARG 31 CO 0.13 0.69 -0.80 -0.07 -1.07 0.00 0.00 179.97 178.85 3hd7 h LEU 32 N 0.28 0.90 -1.02 3.04 3.38 -1.83 -1.89 115.31 118.17 3hd7 h LEU 32 Ca 0.03 -0.66 -0.07 0.00 0.09 0.00 0.00 57.88 57.26 3hd7 h LEU 32 Cb 0.84 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3hd7 h LEU 32 CO 0.07 1.42 -0.08 -0.61 0.09 0.00 0.00 178.44 179.32 3hd7 h GLN 33 N 0.44 0.61 0.00 1.13 4.15 -1.32 -0.00 115.11 120.13 3hd7 h GLN 33 Ca -0.07 -0.17 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 3hd7 h GLN 33 Cb 1.44 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.07 3hd7 h GLN 33 CO 0.16 0.69 -0.01 1.96 -1.93 0.00 0.00 178.83 179.70 3hd7 h GLN 34 N 0.57 0.01 -0.77 1.69 1.08 -1.13 -2.73 115.11 113.82 3hd7 h GLN 34 Ca 0.11 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 3hd7 h GLN 34 Cb 0.48 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 3hd7 h GLN 34 CO 0.03 0.81 0.41 1.15 -0.95 0.00 0.00 178.83 180.28 3hd7 h THR 35 N -0.79 1.24 0.00 -0.54 2.02 -1.33 -0.17 112.91 113.34 3hd7 h THR 35 Ca -0.00 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.56 3hd7 h THR 35 Cb 0.82 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3hd7 h THR 35 CO 0.00 0.27 -0.03 -0.61 0.37 0.00 0.00 175.52 175.52 3hd7 h GLN 36 N 1.08 0.00 -0.01 6.66 5.75 -1.10 -2.25 115.11 125.23 3hd7 h GLN 36 Ca 0.27 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.73 3hd7 h GLN 36 Cb 0.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.61 3hd7 h GLN 36 CO -0.04 0.03 -0.15 0.00 -2.65 0.00 0.00 178.83 176.02 3hd7 h ALA 37 N 1.97 0.04 -0.03 3.38 0.00 -0.75 -2.89 119.26 120.98 3hd7 h ALA 37 Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3hd7 h ALA 37 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3hd7 h ALA 37 CO 0.00 0.00 -0.38 1.96 0.00 0.00 0.00 179.25 180.83 3hd7 h GLN 38 N -0.52 -0.50 -0.11 0.00 7.50 -0.95 -2.60 115.11 117.93 3hd7 h GLN 38 Ca -0.01 0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.21 3hd7 h GLN 38 Cb 0.86 0.11 -0.06 0.00 0.05 0.00 0.00 27.48 28.45 3hd7 h GLN 38 CO 0.03 -0.33 -0.44 0.28 -1.50 0.00 0.00 178.83 176.87 3hd7 h VAL 39 N -0.52 0.12 -0.98 -0.54 2.07 -1.50 -1.02 116.25 113.88 3hd7 h VAL 39 Ca 0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.76 3hd7 h VAL 39 Cb 0.62 0.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.42 3hd7 h VAL 39 CO -0.31 0.00 0.61 0.44 0.02 0.00 0.00 177.57 178.33 3hd7 h ASP 40 N -0.52 0.71 0.41 0.57 3.32 -1.44 0.21 116.42 119.67 3hd7 h ASP 40 Ca 0.06 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3hd7 h ASP 40 Cb 0.64 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3hd7 h ASP 40 CO -0.39 0.28 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.14 3hd7 h GLU 41 N 0.71 -0.53 -0.81 3.56 4.81 -0.89 -0.23 114.58 121.20 3hd7 h GLU 41 Ca 0.54 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.88 3hd7 h GLU 41 Cb 0.91 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.34 3hd7 h GLU 41 CO -0.31 -0.24 0.47 0.28 -0.73 0.00 0.00 179.01 178.49 3hd7 h VAL 42 N -0.80 0.95 -0.88 0.32 2.07 -0.41 0.10 116.25 117.61 3hd7 h VAL 42 Ca -0.06 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3hd7 h VAL 42 Cb 0.54 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3hd7 h VAL 42 CO 0.09 0.15 0.46 0.58 0.02 0.00 0.00 177.57 178.87 3hd7 h VAL 43 N 0.82 1.26 -0.80 2.57 2.07 -0.55 -0.98 116.25 120.64 3hd7 h VAL 43 Ca 0.38 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3hd7 h VAL 43 Cb 0.29 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 3hd7 h VAL 43 CO -0.22 0.30 0.37 0.44 0.02 0.00 0.00 177.57 178.48 3hd7 h ASP 44 N 1.23 1.06 -0.10 0.57 3.32 0.53 -2.22 116.42 120.81 3hd7 h ASP 44 Ca 0.31 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3hd7 h ASP 44 Cb 0.06 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 3hd7 h ASP 44 CO -0.05 0.91 0.04 0.40 -1.72 0.00 0.00 179.24 178.82 3hd7 h ILE 45 N 1.15 1.15 0.00 0.35 2.04 -0.24 -3.13 117.51 118.83 3hd7 h ILE 45 Ca 0.27 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 3hd7 h ILE 45 Cb 0.14 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3hd7 h ILE 45 CO -0.03 0.13 -0.26 0.24 0.00 0.00 0.00 178.15 178.23 3hd7 h MET 46 N 0.00 0.00 -0.85 2.37 2.86 -1.06 0.09 114.93 118.34 3hd7 h MET 46 Ca 0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3hd7 h MET 46 Cb 0.17 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 3hd7 h MET 46 CO -0.00 0.26 0.57 0.00 1.06 0.00 0.00 176.91 178.80 3hd7 h ARG 47 N 0.00 1.10 -0.16 1.72 3.08 -1.35 -0.24 114.38 118.53 3hd7 h ARG 47 Ca -0.00 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 3hd7 h ARG 47 Cb 0.55 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3hd7 h ARG 47 CO 0.03 0.73 -0.32 0.28 -1.07 0.00 0.00 179.97 179.62 3hd7 h VAL 48 N 1.14 1.35 -0.14 2.04 2.07 -1.04 -3.12 116.25 118.55 3hd7 h VAL 48 Ca 0.32 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 3hd7 h VAL 48 Cb -0.10 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3hd7 h VAL 48 CO -0.08 0.48 0.01 0.78 0.02 0.00 0.00 177.57 178.78 3hd7 h ASN 49 N 0.12 0.17 0.77 0.57 4.21 -0.66 -0.97 115.58 119.81 3hd7 h ASN 49 Ca 0.00 -0.02 -0.11 0.00 1.21 0.00 0.00 56.30 57.39 3hd7 h ASN 49 Cb 0.92 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 38.06 3hd7 h ASN 49 CO 0.07 0.21 -0.51 0.58 -1.29 0.00 0.00 177.43 176.49 3hd7 h VAL 50 N 0.19 1.16 0.00 2.81 2.07 -1.08 -1.26 116.25 120.14 3hd7 h VAL 50 Ca 0.05 -1.88 -0.13 0.00 0.82 0.00 0.00 66.70 65.56 3hd7 h VAL 50 Cb 0.13 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3hd7 h VAL 50 CO 0.00 0.50 -0.62 0.44 0.02 0.00 0.00 177.57 177.91 3hd7 h ASP 51 N 0.00 0.00 0.23 0.57 3.32 -1.14 0.11 116.42 119.50 3hd7 h ASP 51 Ca -0.01 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 3hd7 h ASP 51 Cb 1.03 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.62 3hd7 h ASP 51 CO 0.07 0.62 -1.36 0.11 -1.72 0.00 0.00 179.24 176.96 3hd7 h LYS 52 N 0.00 0.56 -0.38 3.56 1.57 -1.15 -2.67 116.57 118.06 3hd7 h LYS 52 Ca -0.01 -0.85 -0.13 0.00 -1.87 0.00 0.00 60.65 57.79 3hd7 h LYS 52 Cb 1.26 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 3hd7 h LYS 52 CO 0.08 1.40 -0.29 0.28 -0.57 0.00 0.00 179.45 180.35 3hd7 h VAL 53 N 0.20 1.28 -0.56 0.50 2.07 -1.25 -1.41 116.25 117.08 3hd7 h VAL 53 Ca -0.22 -1.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 3hd7 h VAL 53 Cb 2.04 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 33.08 3hd7 h VAL 53 CO 0.26 0.48 0.21 0.25 0.02 0.00 0.00 177.57 178.79 3hd7 h LEU 54 N 0.69 0.74 -0.30 2.57 7.12 -0.83 -1.66 115.31 123.64 3hd7 h LEU 54 Ca 0.08 -0.10 -0.19 0.00 0.13 0.00 0.00 57.88 57.80 3hd7 h LEU 54 Cb 0.83 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 3hd7 h LEU 54 CO 0.07 0.68 -0.64 -0.33 -0.13 0.00 0.00 178.44 178.09 3hd7 h GLU 55 N 0.80 0.75 -0.36 1.25 5.08 -1.39 -3.08 114.58 117.63 3hd7 h GLU 55 Ca 0.19 -0.53 0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3hd7 h GLU 55 Cb 0.18 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3hd7 h GLU 55 CO -0.02 1.15 0.26 -0.09 -1.00 0.00 0.00 179.01 179.31 3hd7 h ARG 56 N 0.55 0.03 -0.42 2.33 2.43 -0.39 0.91 114.38 119.83 3hd7 h ARG 56 Ca -0.01 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.02 3hd7 h ARG 56 Cb 1.24 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3hd7 h ARG 56 CO 0.13 0.02 -0.28 0.22 -1.51 0.00 0.00 179.97 178.56 3hd7 h ASP 57 N 0.04 0.94 -0.00 -3.80 1.82 -1.24 0.14 116.42 114.31 3hd7 h ASP 57 Ca 0.17 -0.38 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 3hd7 h ASP 57 Cb 0.64 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.39 3hd7 h ASP 57 CO -0.01 1.15 -0.05 1.56 -1.61 0.00 0.00 179.24 180.28 3hd7 h GLN 58 N 0.77 0.04 -0.14 0.28 4.20 -1.25 0.14 115.11 119.16 3hd7 h GLN 58 Ca 0.09 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.79 3hd7 h GLN 58 Cb 0.84 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 3hd7 h GLN 58 CO 0.07 0.78 0.10 0.87 -0.67 0.00 0.00 178.83 179.98 3hd7 h LYS 59 N -0.68 0.05 0.07 1.46 1.79 -0.90 -0.90 116.57 117.45 3hd7 h LYS 59 Ca -0.01 -0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 58.18 3hd7 h LYS 59 Cb 0.79 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.41 3hd7 h LYS 59 CO 0.01 0.03 -1.49 1.25 -1.08 0.00 0.00 179.45 178.17 3hd7 h LEU 60 N 0.05 0.23 -0.85 2.94 5.85 -0.72 -3.19 115.31 119.62 3hd7 h LEU 60 Ca 0.06 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 3hd7 h LEU 60 Cb 0.19 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3hd7 h LEU 60 CO -0.00 1.28 -0.53 -1.28 -0.34 0.00 0.00 178.44 177.56 3hd7 h SER 61 N 0.04 0.12 0.60 1.25 0.87 0.06 -2.49 113.55 114.00 3hd7 h SER 61 Ca -0.21 -0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.10 3hd7 h SER 61 Cb 1.97 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 3hd7 h SER 61 CO 0.13 0.63 -0.84 -0.08 -0.53 0.00 0.00 176.83 176.15 3hd7 h GLU 62 N 0.09 0.17 0.00 2.24 4.81 -1.30 -3.10 114.58 117.49 3hd7 h GLU 62 Ca -0.00 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 3hd7 h GLU 62 Cb 0.97 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 3hd7 h GLU 62 CO 0.08 0.91 -0.27 1.25 -0.73 0.00 0.00 179.01 180.24 3hd7 h LEU 63 N 0.10 0.00 -1.23 1.64 5.85 -1.51 -2.79 115.31 117.36 3hd7 h LEU 63 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3hd7 h LEU 63 Cb 1.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 3hd7 h LEU 63 CO 0.12 0.27 -0.38 -0.78 -0.34 0.00 0.00 178.44 177.34 3hd7 h ASP 64 N 0.00 0.01 -0.01 1.25 3.58 -1.37 -0.43 116.42 119.46 3hd7 h ASP 64 Ca -0.00 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 3hd7 h ASP 64 Cb 1.02 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 3hd7 h ASP 64 CO 0.04 0.39 -0.12 0.44 -2.88 0.00 0.00 179.24 177.11 3hd7 h ASP 65 N 0.01 0.12 0.28 2.28 3.32 -1.51 -2.88 116.42 118.04 3hd7 h ASP 65 Ca -0.00 -0.74 -0.06 0.00 0.02 0.00 0.00 57.03 56.25 3hd7 h ASP 65 Cb 0.68 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3hd7 h ASP 65 CO 0.05 0.84 -0.28 0.03 -1.72 0.00 0.00 179.24 178.16 3hd7 h ARG 66 N -0.60 0.00 -0.45 3.56 3.08 -1.44 0.27 114.38 118.81 3hd7 h ARG 66 Ca -0.01 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3hd7 h ARG 66 Cb 0.85 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 3hd7 h ARG 66 CO 0.02 0.29 -0.14 0.00 -1.07 0.00 0.00 179.97 179.06 3hd7 h ALA 67 N 1.71 0.63 0.05 0.04 0.00 -1.13 -1.72 119.26 118.85 3hd7 h ALA 67 Ca -0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 54.91 54.31 3hd7 h ALA 67 Cb 0.50 -0.16 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hd7 h ALA 67 CO 0.04 0.55 -0.98 0.22 0.00 0.00 0.00 179.25 179.07 3hd7 h ASP 68 N 0.73 0.78 0.27 0.00 3.58 -1.23 -2.57 116.42 117.98 3hd7 h ASP 68 Ca 0.11 -0.79 0.00 0.00 0.42 0.00 0.00 57.03 56.77 3hd7 h ASP 68 Cb 0.70 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.51 3hd7 h ASP 68 CO 0.05 1.47 0.00 0.00 -2.88 0.00 0.00 179.24 177.89 3hd7 n ALA 69 N -2.65 1.70 -0.10 -0.78 0.00 0.92 -1.97 120.51 117.63 3hd7 n ALA 69 Ca -0.12 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 3hd7 n ALA 69 Cb 0.86 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 3hd7 n ALA 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hd7 n LEU 70 N -1.33 2.81 0.24 0.00 7.94 -0.65 -3.71 117.00 122.29 3hd7 n LEU 70 Ca 0.05 -0.11 0.10 0.00 -1.11 0.00 0.00 56.01 54.95 3hd7 n LEU 70 Cb 0.11 -0.66 0.59 0.00 0.53 0.00 0.00 43.42 43.99 3hd7 n LEU 70 CO 0.10 0.82 0.88 0.06 -1.11 0.00 0.00 177.39 178.15 3hd7 h GLN 71 N 0.00 0.00 0.41 1.96 -0.00 -1.28 0.15 115.11 116.35 3hd7 h GLN 71 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.17 3hd7 h GLN 71 Cb 1.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.22 3hd7 h GLN 71 CO -0.07 0.20 -0.20 0.00 -0.00 0.00 0.00 178.83 178.76 3hd7 h ALA 72 N 1.80 -0.55 0.00 0.06 0.00 -1.58 -1.37 119.26 117.63 3hd7 h ALA 72 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hd7 h ALA 72 Cb 0.50 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3hd7 h ALA 72 CO 0.03 -0.58 -0.06 0.78 0.00 0.00 0.00 179.25 179.42 3hd7 h GLY 73 N -1.01 0.00 1.59 0.00 0.00 -1.61 -0.82 103.07 101.22 3hd7 h GLY 73 Ca -0.06 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.05 3hd7 h GLY 73 CO 0.09 0.00 -0.94 0.00 0.00 0.00 0.00 176.54 175.69 3hd7 h ALA 74 N 1.94 0.38 -0.00 3.60 0.00 -0.69 -1.63 119.26 122.86 3hd7 h ALA 74 Ca -0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 54.91 54.04 3hd7 h ALA 74 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hd7 h ALA 74 CO 0.01 0.84 -0.72 1.03 0.00 0.00 0.00 179.25 180.40 3hd7 h SER 75 N 0.20 0.02 0.39 0.00 0.87 -0.40 -1.58 113.55 113.05 3hd7 h SER 75 Ca -0.08 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3hd7 h SER 75 Cb 1.58 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 3hd7 h SER 75 CO 0.16 0.73 -0.19 -0.61 -0.53 0.00 0.00 176.83 176.39 3hd7 h GLN 76 N 0.01 -0.51 0.00 2.24 4.15 -1.13 -2.54 115.11 117.33 3hd7 h GLN 76 Ca -0.01 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3hd7 h GLN 76 Cb 1.28 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.08 3hd7 h GLN 76 CO 0.10 -0.20 0.00 0.35 -1.93 0.00 0.00 178.83 177.15 3hd7 h PHE 77 N -0.93 0.00 -0.20 3.99 3.57 -1.36 -1.71 116.94 120.30 3hd7 h PHE 77 Ca -0.05 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 3hd7 h PHE 77 Cb 0.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3hd7 h PHE 77 CO 0.02 0.00 -0.07 1.49 -2.23 0.00 0.00 178.31 177.52 3hd7 h GLU 78 N 0.00 0.40 -0.08 1.11 4.57 -0.99 -2.02 114.58 117.57 3hd7 h GLU 78 Ca 0.00 -0.16 -0.04 0.00 -1.18 0.00 0.00 59.36 57.97 3hd7 h GLU 78 Cb 0.08 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3hd7 h GLU 78 CO 0.00 0.67 -0.12 1.15 -1.18 0.00 0.00 179.01 179.54 3hd7 h THR 79 N 0.11 1.39 -0.66 0.32 2.02 -0.93 -2.49 112.91 112.68 3hd7 h THR 79 Ca 0.05 -1.37 0.16 0.00 0.77 0.00 0.00 66.41 66.02 3hd7 h THR 79 Cb 0.54 2.12 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 3hd7 h THR 79 CO 0.02 0.38 0.45 0.28 0.37 0.00 0.00 175.52 177.03 3hd7 h SER 80 N -0.24 0.18 -0.02 4.18 0.02 -1.45 0.39 113.55 116.61 3hd7 h SER 80 Ca 0.01 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 3hd7 h SER 80 Cb 0.68 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3hd7 h SER 80 CO 0.03 0.09 -0.16 0.00 -1.14 0.00 0.00 176.83 175.66 3hd7 h ALA 81 N 1.68 0.05 -0.94 3.77 0.00 -1.29 -2.88 119.26 119.64 3hd7 h ALA 81 Ca 0.32 -0.40 0.14 0.00 0.00 0.00 0.00 54.91 54.97 3hd7 h ALA 81 Cb 0.98 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 3hd7 h ALA 81 CO -0.06 0.00 0.60 0.00 0.00 0.00 0.00 179.25 179.79 3hd7 h ALA 82 N 0.33 1.74 0.71 0.00 0.00 -0.74 -2.34 119.26 118.96 3hd7 h ALA 82 Ca -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hd7 h ALA 82 Cb 0.85 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.51 3hd7 h ALA 82 CO 0.03 0.00 -0.34 0.87 0.00 0.00 0.00 179.25 179.81 3hd7 h LYS 83 N 0.78 -0.92 -0.96 0.00 1.57 -0.96 -1.99 116.57 114.08 3hd7 h LYS 83 Ca 0.48 0.06 0.25 0.00 -1.87 0.00 0.00 60.65 59.57 3hd7 h LYS 83 Cb 0.69 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.15 3hd7 h LYS 83 CO -0.24 -0.60 0.66 -0.07 -0.57 0.00 0.00 179.45 178.62 3hd7 h LEU 84 N -1.01 0.24 0.54 2.94 3.38 -1.22 0.65 115.31 120.84 3hd7 h LEU 84 Ca -0.10 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3hd7 h LEU 84 Cb 0.75 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.49 3hd7 h LEU 84 CO 0.16 0.07 -0.26 0.50 0.09 0.00 0.00 178.44 179.01 3hd7 h LYS 85 N 0.23 -0.69 -0.90 1.13 3.64 -1.05 -2.71 116.57 116.23 3hd7 h LYS 85 Ca 0.49 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.96 3hd7 h LYS 85 Cb 1.54 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 33.47 3hd7 h LYS 85 CO -0.13 -0.39 0.58 0.00 -2.27 0.00 0.00 179.45 177.24 3hd7 h ARG 86 N -1.02 1.09 -0.47 1.90 2.47 -0.51 -1.19 114.38 116.66 3hd7 h ARG 86 Ca -0.07 -0.07 0.09 0.00 -1.26 0.00 0.00 59.98 58.68 3hd7 h ARG 86 Cb 0.63 -0.25 -0.09 0.00 -1.65 0.00 0.00 29.97 28.61 3hd7 h ARG 86 CO 0.12 0.72 -0.10 -0.22 0.56 0.00 0.00 179.97 181.05 3hd7 h LYS 87 N 1.13 0.02 0.00 0.04 3.64 -0.94 -1.21 116.57 119.24 3hd7 h LYS 87 Ca 0.36 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 3hd7 h LYS 87 Cb 0.01 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3hd7 h LYS 87 CO -0.12 0.01 -0.42 1.88 -2.27 0.00 0.00 179.45 178.53 3hd7 h TYR 88 N 0.02 0.00 0.04 1.91 0.05 -1.07 -0.42 116.97 117.50 3hd7 h TYR 88 Ca 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.01 3hd7 h TYR 88 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 3hd7 h TYR 88 CO -0.39 0.32 -0.02 2.35 -1.05 0.00 0.00 178.16 179.37 3hd7 h TRP 89 N 0.00 -0.05 -0.36 4.88 7.01 -0.91 0.60 115.95 127.12 3hd7 h TRP 89 Ca -0.01 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.06 3hd7 h TRP 89 Cb 1.26 0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 28.26 3hd7 h TRP 89 CO 0.00 0.25 -0.14 -1.49 -2.79 0.00 0.00 178.44 174.27 3hd7 h TRP 90 N -0.35 -0.34 -0.66 2.65 4.06 -1.21 0.19 115.95 120.29 3hd7 h TRP 90 Ca -0.01 0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.04 3hd7 h TRP 90 Cb 0.32 0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.65 3hd7 h TRP 90 CO 0.03 -0.22 0.43 -0.22 -3.56 0.00 0.00 178.44 174.90 3hd7 h LYS 91 N -0.07 0.65 -0.24 0.49 1.63 -0.92 -1.41 116.57 116.70 3hd7 h LYS 91 Ca 0.18 -0.04 -0.19 0.00 -0.85 0.00 0.00 60.65 59.75 3hd7 h LYS 91 Cb 0.35 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 3hd7 h LYS 91 CO -0.41 0.43 -0.59 -0.97 -3.45 0.00 0.00 179.45 174.46 3hd7 h ASN 92 N 0.67 0.93 0.28 4.20 -1.24 -0.10 -3.23 115.58 117.10 3hd7 h ASN 92 Ca 0.28 -0.56 0.00 0.00 0.71 0.00 0.00 56.30 56.73 3hd7 h ASN 92 Cb 0.25 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.01 3hd7 h ASN 92 CO -0.09 1.33 -0.29 0.25 -1.29 0.00 0.00 177.43 177.34 3hd7 h LEU 93 N 0.58 -0.80 -0.75 0.34 5.85 0.08 -2.76 115.31 117.86 3hd7 h LEU 93 Ca -0.01 0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.95 3hd7 h LEU 93 Cb 1.21 0.27 -0.11 0.00 0.37 0.00 0.00 40.66 42.40 3hd7 h LEU 93 CO 0.13 -0.42 0.18 0.11 -0.34 0.00 0.00 178.44 178.11 3hd7 h LYS 94 N -0.61 0.26 -0.83 1.25 1.57 -1.50 -1.00 116.57 115.71 3hd7 h LYS 94 Ca -0.01 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3hd7 h LYS 94 Cb 0.56 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3hd7 h LYS 94 CO -0.07 0.17 0.54 0.52 -0.57 0.00 0.00 179.45 180.04 3hd7 h MET 95 N 0.27 1.06 -0.21 3.15 2.86 -1.51 -1.45 114.93 119.11 3hd7 h MET 95 Ca 0.42 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.87 3hd7 h MET 95 Cb 0.73 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3hd7 h MET 95 CO -0.52 0.70 -0.40 1.98 1.06 0.00 0.00 176.91 179.73 3hd7 h MET 96 N 1.09 0.64 -0.00 1.72 1.85 -0.98 0.19 114.93 119.44 3hd7 h MET 96 Ca 0.31 -0.41 0.01 0.00 -0.61 0.00 0.00 59.70 59.00 3hd7 h MET 96 Cb -0.09 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 3hd7 h MET 96 CO -0.08 1.03 -0.16 0.82 -0.40 0.00 0.00 176.91 178.11 3hd7 h ILE 97 N 0.33 0.00 -0.99 1.77 2.04 -1.06 0.15 117.51 119.74 3hd7 h ILE 97 Ca 0.01 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.10 3hd7 h ILE 97 Cb 1.00 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.99 3hd7 h ILE 97 CO 0.09 0.00 0.64 0.40 0.00 0.00 0.00 178.15 179.28 3hd7 h ILE 98 N -0.20 0.60 -0.01 -0.67 2.04 -1.25 -0.58 117.51 117.45 3hd7 h ILE 98 Ca 0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3hd7 h ILE 98 Cb 0.22 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3hd7 h ILE 98 CO -0.11 0.08 -0.00 0.25 0.00 0.00 0.00 178.15 178.38 3hd7 h LEU 99 N 0.46 0.01 -0.73 1.44 5.85 -0.19 -0.43 115.31 121.72 3hd7 h LEU 99 Ca 0.56 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 59.05 3hd7 h LEU 99 Cb 1.30 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.26 3hd7 h LEU 99 CO -0.28 0.32 0.39 1.23 -0.34 0.00 0.00 178.44 179.77 3hd7 h GLY 100 N -0.30 1.10 1.00 3.75 0.00 0.62 0.07 103.07 109.31 3hd7 h GLY 100 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 3hd7 h GLY 100 CO 0.00 0.12 -0.44 -2.08 0.00 0.00 0.00 176.54 174.14 3hd7 h VAL 101 N 0.69 0.11 0.00 4.60 2.07 -1.07 0.68 116.25 123.32 3hd7 h VAL 101 Ca 0.35 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.85 3hd7 h VAL 101 Cb 0.30 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3hd7 h VAL 101 CO -0.23 0.00 -0.07 -0.29 0.02 0.00 0.00 177.57 177.00 3hd7 h ILE 102 N -1.20 0.80 0.11 4.57 2.10 -0.80 -0.87 117.51 122.21 3hd7 h ILE 102 Ca -0.12 -0.26 -0.29 0.00 1.08 0.00 0.00 64.86 65.27 3hd7 h ILE 102 Cb 0.93 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.80 3hd7 h ILE 102 CO 0.19 0.07 -1.39 0.00 -1.08 0.00 0.00 178.15 175.94 3hd7 h ALA 104 N 0.57 1.11 -0.04 0.00 0.00 -0.27 0.11 119.26 120.75 3hd7 h ALA 104 Ca -0.19 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hd7 h ALA 104 Cb 1.99 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.44 3hd7 h ALA 104 CO 0.17 0.37 -0.22 0.82 0.00 0.00 0.00 179.25 180.40 3hd7 h ILE 105 N 1.05 0.48 -0.45 0.00 2.04 -1.13 0.37 117.51 119.86 3hd7 h ILE 105 Ca 0.34 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.18 3hd7 h ILE 105 Cb 0.01 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3hd7 h ILE 105 CO -0.12 0.00 0.21 0.40 0.00 0.00 0.00 178.15 178.64 3hd7 h ILE 106 N -0.33 1.16 0.76 -0.67 2.04 -1.05 -2.21 117.51 117.22 3hd7 h ILE 106 Ca 0.07 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3hd7 h ILE 106 Cb 0.43 0.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3hd7 h ILE 106 CO -0.23 0.19 -0.37 0.25 0.00 0.00 0.00 178.15 177.99 3hd7 h LEU 107 N 0.64 -0.87 -0.63 1.44 5.85 0.06 0.14 115.31 121.94 3hd7 h LEU 107 Ca 0.16 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.00 3hd7 h LEU 107 Cb 0.09 0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 3hd7 h LEU 107 CO -0.02 -0.52 -0.25 -0.38 -0.34 0.00 0.00 178.44 176.93 3hd7 n ILE 108 N -5.32 -0.34 0.05 4.05 5.41 0.12 -0.77 119.36 122.56 3hd7 n ILE 108 Ca -0.13 1.48 -0.13 0.00 1.00 0.00 0.00 62.75 64.97 3hd7 n ILE 108 Cb 0.40 -1.94 -0.09 0.00 -0.71 0.00 0.00 39.64 37.30 3hd7 n ILE 108 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3hd7 h ILE 109 N 0.00 1.11 0.00 1.39 2.04 -1.22 -1.45 117.51 119.38 3hd7 h ILE 109 Ca 0.21 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.29 3hd7 h ILE 109 Cb 0.37 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 3hd7 h ILE 109 CO -0.62 0.19 0.01 0.00 0.00 0.00 0.00 178.15 177.73 3hd7 n ILE 110 N -4.98 1.60 -0.12 -0.67 3.06 0.48 -2.08 119.36 116.65 3hd7 n ILE 110 Ca -0.08 0.41 -0.25 0.00 -2.50 0.00 0.00 62.75 60.33 3hd7 n ILE 110 Cb 0.22 -1.41 -0.11 0.00 0.54 0.00 0.00 39.64 38.87 3hd7 n ILE 110 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 3hd7 n ILE 111 N -1.40 1.54 -0.27 9.51 5.41 0.05 -4.21 119.36 129.99 3hd7 n ILE 111 Ca 0.00 -0.40 -0.06 0.00 1.00 0.00 0.00 62.75 63.29 3hd7 n ILE 111 Cb 0.01 -1.77 0.06 0.00 -0.71 0.00 0.00 39.64 37.23 3hd7 n ILE 111 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 3hd7 h VAL 112 N -0.65 1.24 -0.59 1.39 3.04 -0.71 -1.62 116.25 118.35 3hd7 h VAL 112 Ca -0.60 -0.66 -0.33 0.00 -1.01 0.00 0.00 66.70 64.10 3hd7 h VAL 112 Cb 1.68 0.29 -0.18 0.00 -2.01 0.00 0.00 31.29 31.07 3hd7 h VAL 112 CO -0.26 0.28 0.42 -1.22 -1.01 0.00 0.00 177.57 175.78 3hd7 n TYR 113 N -4.40 1.83 -1.69 3.17 4.01 -0.97 -3.53 117.16 115.58 3hd7 n TYR 113 Ca 0.07 -1.51 0.00 0.00 -0.16 0.00 0.00 57.90 56.29 3hd7 n TYR 113 Cb 0.13 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 38.40 3hd7 n TYR 113 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3hd7 n PHE 114 N -0.34 0.00 0.73 -0.72 3.72 -1.03 -5.01 117.46 114.81 3hd7 n PHE 114 Ca 0.36 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.84 3hd7 n PHE 114 Cb 1.05 0.04 0.07 0.00 -0.94 0.00 0.00 39.48 39.70 3hd7 n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58