#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vpf s VAL 15 N 0.00 3.75 0.38 2.52 1.01 -1.26 -4.98 120.40 121.83 1vpf s VAL 15 Ca 0.00 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.83 1vpf s VAL 15 Cb 0.00 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 1vpf s VAL 15 CO 0.00 -0.01 1.36 -0.54 0.00 0.00 0.00 175.10 175.92 1vpf s LYS 16 N 2.44 4.09 0.34 2.72 -0.14 -1.26 -4.82 119.74 123.11 1vpf s LYS 16 Ca 0.63 2.30 0.14 0.00 -1.36 0.00 0.00 55.97 57.69 1vpf s LYS 16 Cb -0.31 -2.89 1.09 0.00 -1.68 0.00 0.00 37.83 34.04 1vpf s LYS 16 CO 0.26 -0.44 1.64 0.35 -0.76 0.00 0.00 175.35 176.39 1vpf h PHE 17 N 2.93 0.78 -0.42 3.18 3.57 -1.99 0.16 116.94 125.15 1vpf h PHE 17 Ca -0.50 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 60.93 1vpf h PHE 17 Cb 1.24 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1vpf h PHE 17 CO 0.54 -0.27 -0.21 0.52 -2.23 0.00 0.00 178.31 176.66 1vpf h MET 18 N 0.21 0.83 0.00 1.11 2.86 -1.99 -0.11 114.93 117.85 1vpf h MET 18 Ca 0.73 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1vpf h MET 18 Cb 1.73 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.35 1vpf h MET 18 CO -0.67 0.96 -0.00 -0.44 1.06 0.00 0.00 176.91 177.82 1vpf h ASP 19 N 0.72 -0.01 -0.70 1.22 3.32 -1.07 -1.06 116.42 118.85 1vpf h ASP 19 Ca 0.10 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1vpf h ASP 19 Cb 0.73 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1vpf h ASP 19 CO 0.06 0.12 0.43 0.58 -1.72 0.00 0.00 179.24 178.71 1vpf h VAL 20 N -0.13 1.20 0.03 -1.35 2.07 -1.39 -1.72 116.25 114.95 1vpf h VAL 20 Ca -0.00 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1vpf h VAL 20 Cb 0.13 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1vpf h VAL 20 CO 0.00 0.21 -0.01 0.22 0.02 0.00 0.00 177.57 178.00 1vpf h TYR 21 N 0.96 -0.03 -0.18 1.57 3.20 -0.65 -1.81 116.97 120.03 1vpf h TYR 21 Ca 0.25 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 1vpf h TYR 21 Cb -0.04 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1vpf h TYR 21 CO -0.01 0.04 0.05 1.96 -1.64 0.00 0.00 178.16 178.56 1vpf h GLN 22 N -0.10 0.29 -0.16 1.82 7.50 -1.14 -2.61 115.11 120.70 1vpf h GLN 22 Ca -0.00 -0.07 -0.03 0.00 0.50 0.00 0.00 58.65 59.05 1vpf h GLN 22 Cb 0.09 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 1vpf h GLN 22 CO 0.01 0.41 -0.05 0.00 -1.50 0.00 0.00 178.83 177.69 1vpf h ARG 23 N 0.11 0.24 0.00 1.46 3.08 -1.31 -2.97 114.38 115.00 1vpf h ARG 23 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1vpf h ARG 23 Cb 0.25 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1vpf h ARG 23 CO -0.00 0.31 -0.88 -1.13 -1.07 0.00 0.00 179.97 177.20 1vpf n SER 24 N -4.34 0.66 -4.74 7.04 3.41 -0.68 -4.94 113.62 110.03 1vpf n SER 24 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1vpf n SER 24 Cb 0.21 0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 1vpf n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1vpf s TYR 25 N -3.21 2.92 -0.15 7.33 5.04 -0.99 -1.16 117.35 127.13 1vpf s TYR 25 Ca 0.04 0.79 -0.14 0.00 -2.44 0.00 0.00 57.07 55.32 1vpf s TYR 25 Cb 0.13 -3.96 -0.06 0.00 0.35 0.00 0.00 41.96 38.42 1vpf s TYR 25 CO 0.77 -3.31 0.49 0.00 -1.34 0.00 0.00 175.55 172.16 1vpf s HIS 27 N 0.93 -0.23 0.02 0.00 -3.43 -0.54 -4.88 115.29 107.16 1vpf s HIS 27 Ca 0.32 0.11 -0.30 0.00 -0.80 0.00 0.00 55.06 54.39 1vpf s HIS 27 Cb -0.46 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.19 1vpf s HIS 27 CO 0.25 -0.46 1.16 -2.14 -2.00 0.00 0.00 174.74 171.55 1vpf s PRO 28 N -2.88 4.43 0.03 -0.38 0.02 -1.26 -1.12 135.00 133.83 1vpf s PRO 28 Ca 0.08 1.68 0.02 0.00 0.02 0.00 0.00 61.00 62.80 1vpf s PRO 28 Cb -0.01 -3.42 -0.02 0.00 0.02 0.00 0.00 34.50 31.08 1vpf s PRO 28 CO -0.06 -0.27 -0.08 -1.50 -0.33 0.00 0.00 177.00 174.77 1vpf s ILE 29 N 1.34 0.56 0.04 2.83 2.07 0.12 -4.87 121.20 123.30 1vpf s ILE 29 Ca 0.57 -0.76 -0.30 0.00 -1.41 0.00 0.00 60.65 58.74 1vpf s ILE 29 Cb -0.27 -0.56 -0.08 0.00 0.13 0.00 0.00 42.46 41.68 1vpf s ILE 29 CO 0.27 -0.15 1.73 -0.70 -1.91 0.00 0.00 174.94 174.18 1vpf s GLU 30 N -1.00 4.18 -0.04 3.50 2.12 -1.26 -2.07 118.70 124.12 1vpf s GLU 30 Ca -0.04 2.38 0.05 0.00 0.36 0.00 0.00 54.97 57.71 1vpf s GLU 30 Cb -0.07 -3.80 -0.01 0.00 0.26 0.00 0.00 34.13 30.51 1vpf s GLU 30 CO 0.00 -0.82 -0.18 0.99 -0.54 0.00 0.00 175.26 174.72 1vpf s THR 31 N 3.34 1.48 -0.47 -1.70 2.01 0.47 -4.95 115.64 115.83 1vpf s THR 31 Ca 0.77 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.80 1vpf s THR 31 Cb -0.39 -1.26 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1vpf s THR 31 CO 0.34 0.42 0.73 -0.76 -0.69 0.00 0.00 174.62 174.66 1vpf s LEU 32 N -0.05 4.42 -0.04 4.42 1.43 -1.26 -0.90 118.68 126.69 1vpf s LEU 32 Ca -0.02 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1vpf s LEU 32 Cb -0.11 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1vpf s LEU 32 CO 0.02 -0.90 0.02 -0.69 0.23 0.00 0.00 176.35 175.02 1vpf s VAL 33 N 3.12 4.35 0.16 -1.59 1.01 -0.10 -4.91 120.40 122.44 1vpf s VAL 33 Ca 0.25 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1vpf s VAL 33 Cb -0.14 -2.89 -0.07 0.00 0.00 0.00 0.00 36.38 33.28 1vpf s VAL 33 CO 0.19 0.48 0.99 -0.62 0.00 0.00 0.00 175.10 176.15 1vpf s ASP 34 N -1.26 7.48 0.47 3.32 -1.08 -1.26 -0.43 116.67 123.91 1vpf s ASP 34 Ca 0.17 1.91 0.16 0.00 -0.52 0.00 0.00 52.55 54.28 1vpf s ASP 34 Cb -0.11 -2.60 1.13 0.00 -1.46 0.00 0.00 42.92 39.87 1vpf s ASP 34 CO 0.07 -0.04 2.04 0.40 0.52 0.00 0.00 175.17 178.16 1vpf h ILE 35 N 3.71 1.03 -0.33 4.11 2.04 -1.48 -2.40 117.51 124.18 1vpf h ILE 35 Ca -0.44 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 64.85 1vpf h ILE 35 Cb 1.21 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1vpf h ILE 35 CO 0.71 0.13 -0.23 -0.26 0.00 0.00 0.00 178.15 178.50 1vpf h PHE 36 N 0.00 0.73 -0.27 1.37 0.04 -1.80 0.43 116.94 117.44 1vpf h PHE 36 Ca -0.00 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 1vpf h PHE 36 Cb 0.25 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1vpf h PHE 36 CO 0.00 0.82 0.02 0.37 -0.60 0.00 0.00 178.31 178.92 1vpf h GLN 37 N 0.57 0.39 0.19 1.51 4.15 -1.84 -1.53 115.11 118.55 1vpf h GLN 37 Ca 0.08 -0.06 -0.33 0.00 0.77 0.00 0.00 58.65 59.11 1vpf h GLN 37 Cb 0.70 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.33 1vpf h GLN 37 CO 0.05 0.40 -1.57 0.93 -1.93 0.00 0.00 178.83 176.71 1vpf h GLU 38 N 0.38 0.41 -3.05 1.69 4.39 -1.07 -3.40 114.58 113.93 1vpf h GLU 38 Ca 0.09 -0.69 -0.62 0.00 0.34 0.00 0.00 59.36 58.48 1vpf h GLU 38 Cb 0.22 0.26 -0.41 0.00 -0.10 0.00 0.00 28.75 28.72 1vpf h GLU 38 CO 0.00 1.33 -0.67 0.71 -1.16 0.00 0.00 179.01 179.22 1vpf s TYR 39 N -2.56 2.79 -0.34 4.33 1.51 0.14 -4.96 117.35 118.28 1vpf s TYR 39 Ca -0.15 -2.96 0.23 0.00 -1.01 0.00 0.00 57.07 53.18 1vpf s TYR 39 Cb 0.05 -2.33 1.08 0.00 -0.11 0.00 0.00 41.96 40.65 1vpf s TYR 39 CO 0.86 -0.69 1.69 -2.30 -1.11 0.00 0.00 175.55 174.01 1vpf n PRO 40 N 2.74 0.17 0.10 -1.71 -0.02 -0.59 -2.52 135.00 133.17 1vpf n PRO 40 Ca 0.14 0.53 -0.05 0.00 -2.02 0.00 0.00 63.50 62.11 1vpf n PRO 40 Cb 0.36 -1.92 0.04 0.00 -0.02 0.00 0.00 33.50 31.95 1vpf n PRO 40 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1vpf h ASP 41 N 0.00 0.04 -0.01 2.55 3.58 -1.93 -3.30 116.42 117.35 1vpf h ASP 41 Ca 0.00 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1vpf h ASP 41 Cb 0.20 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 1vpf h ASP 41 CO 0.00 0.82 0.01 -0.62 -2.88 0.00 0.00 179.24 176.57 1vpf n GLU 42 N -3.62 1.02 0.28 0.28 4.71 -1.05 -4.07 120.64 118.19 1vpf n GLU 42 Ca -0.01 -0.04 0.16 0.00 -0.01 0.00 0.00 57.16 57.26 1vpf n GLU 42 Cb 0.76 -1.03 0.83 0.00 -1.01 0.00 0.00 31.44 30.99 1vpf n GLU 42 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1vpf h ILE 43 N 0.01 0.32 -0.08 -3.67 1.08 -1.77 -2.17 117.51 111.23 1vpf h ILE 43 Ca 0.01 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1vpf h ILE 43 Cb 1.01 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 1vpf h ILE 43 CO 0.01 0.07 -0.06 1.05 -0.69 0.00 0.00 178.15 178.53 1vpf h GLU 44 N 0.00 0.11 -6.15 2.37 4.11 -1.92 -3.44 114.58 109.66 1vpf h GLU 44 Ca -0.00 -0.02 -0.51 0.00 0.07 0.00 0.00 59.36 58.90 1vpf h GLU 44 Cb 0.30 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1vpf h GLU 44 CO 0.01 0.18 -0.49 0.71 0.07 0.00 0.00 179.01 179.49 1vpf s TYR 45 N -4.90 3.33 -0.26 2.06 1.51 -0.82 -4.71 117.35 113.57 1vpf s TYR 45 Ca -0.05 0.00 -0.04 0.00 -1.01 0.00 0.00 57.07 55.97 1vpf s TYR 45 Cb 0.16 -1.55 0.01 0.00 -0.11 0.00 0.00 41.96 40.47 1vpf s TYR 45 CO 0.70 0.49 -0.00 0.42 -1.11 0.00 0.00 175.55 176.05 1vpf s ILE 46 N -1.90 3.43 0.33 2.71 1.01 -0.83 -4.94 121.20 121.01 1vpf s ILE 46 Ca 0.33 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 60.15 1vpf s ILE 46 Cb -0.10 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.60 1vpf s ILE 46 CO 0.27 0.21 0.64 -0.36 0.00 0.00 0.00 174.94 175.70 1vpf s PHE 47 N 1.43 3.46 -0.16 3.97 0.08 -1.26 -1.78 117.98 123.72 1vpf s PHE 47 Ca 0.02 0.84 -0.04 0.00 0.12 0.00 0.00 56.93 57.88 1vpf s PHE 47 Cb -0.16 -2.27 0.08 0.00 -0.57 0.00 0.00 43.02 40.10 1vpf s PHE 47 CO -0.01 0.07 0.22 0.21 -0.10 0.00 0.00 175.22 175.60 1vpf s LYS 48 N -3.56 0.15 0.66 0.44 2.20 -0.03 -2.77 119.74 116.83 1vpf s LYS 48 Ca 0.47 0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 56.33 1vpf s LYS 48 Cb -0.11 -0.79 0.00 0.00 -1.51 0.00 0.00 37.83 35.43 1vpf s LYS 48 CO 0.29 -0.51 1.10 -1.25 -0.36 0.00 0.00 175.35 174.62 1vpf s PRO 49 N 2.34 2.81 0.24 4.03 0.04 -1.26 -1.45 135.00 141.75 1vpf s PRO 49 Ca 0.05 1.33 0.24 0.00 0.04 0.00 0.00 61.00 62.66 1vpf s PRO 49 Cb -0.14 -1.96 0.94 0.00 0.04 0.00 0.00 34.50 33.38 1vpf s PRO 49 CO -0.10 -1.23 1.72 -1.13 0.04 0.00 0.00 177.00 176.30 1vpf n SER 50 N -2.51 0.67 -4.10 6.66 3.41 -1.11 -4.81 113.62 111.83 1vpf n SER 50 Ca 0.10 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.25 1vpf n SER 50 Cb 0.52 -0.79 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 1vpf n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vpf s VAL 52 N -2.92 1.29 -0.33 0.00 -7.23 0.43 -4.92 120.40 106.73 1vpf s VAL 52 Ca 0.02 -1.45 -0.21 0.00 -1.81 0.00 0.00 61.98 58.52 1vpf s VAL 52 Cb 0.01 -1.28 -0.00 0.00 0.56 0.00 0.00 36.38 35.66 1vpf s VAL 52 CO -0.05 -0.23 0.69 -2.16 -0.31 0.00 0.00 175.10 173.04 1vpf s PRO 53 N -1.99 3.84 0.09 4.82 0.04 -1.26 -0.93 135.00 139.61 1vpf s PRO 53 Ca 0.02 0.31 0.08 0.00 0.04 0.00 0.00 61.00 61.46 1vpf s PRO 53 Cb -0.09 -3.76 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 1vpf s PRO 53 CO 0.03 -0.67 -0.21 -0.51 0.04 0.00 0.00 177.00 175.67 1vpf s LEU 54 N 2.79 2.27 -0.35 -3.56 1.43 -0.08 -4.92 118.68 116.25 1vpf s LEU 54 Ca 0.28 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 1vpf s LEU 54 Cb -0.14 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.17 1vpf s LEU 54 CO 0.13 0.09 0.89 -0.04 0.23 0.00 0.00 176.35 177.66 1vpf s MET 55 N -1.72 3.86 0.06 1.70 -1.94 -1.26 -0.40 119.30 119.60 1vpf s MET 55 Ca 0.07 0.57 0.02 0.00 -1.71 0.00 0.00 55.69 54.65 1vpf s MET 55 Cb -0.10 -3.79 -0.03 0.00 2.01 0.00 0.00 34.83 32.93 1vpf s MET 55 CO 0.04 -0.89 -0.08 1.03 -0.01 0.00 0.00 175.02 175.11 1vpf s ARG 56 N 3.35 0.63 0.19 2.03 1.81 -0.88 -0.28 118.95 125.79 1vpf s ARG 56 Ca 0.37 -0.91 -0.31 0.00 -1.72 0.00 0.00 55.73 53.16 1vpf s ARG 56 Cb -0.12 -0.34 -0.09 0.00 -0.45 0.00 0.00 34.95 33.95 1vpf s ARG 56 CO 0.17 0.05 1.41 0.00 -0.68 0.00 0.00 175.30 176.25 1vpf s GLY 58 N 0.67 0.57 0.00 0.00 0.00 -0.28 -4.89 107.32 103.39 1vpf s GLY 58 Ca 0.62 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.46 1vpf s GLY 58 CO 0.36 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1vpf n GLY 59 N -0.51 -1.62 3.07 0.20 0.00 -1.26 -1.46 105.19 103.60 1vpf n GLY 59 Ca -0.05 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.83 1vpf n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vpf s ASN 62 N -0.02 7.17 0.00 0.00 0.01 -1.26 -4.51 114.94 116.33 1vpf s ASN 62 Ca 0.05 -3.23 0.00 0.00 -0.71 0.00 0.00 52.86 48.97 1vpf s ASN 62 Cb -0.12 -2.32 0.00 0.00 0.41 0.00 0.00 41.25 39.22 1vpf s ASN 62 CO 0.01 -0.56 0.00 -0.67 -1.51 0.00 0.00 177.10 174.37 1vpf n ASP 63 N 4.43 0.00 -4.58 -1.22 2.03 -1.26 -5.05 116.55 110.90 1vpf n ASP 63 Ca 0.31 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.30 1vpf n ASP 63 Cb 0.41 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.77 1vpf n ASP 63 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1vpf s GLU 64 N 0.00 2.86 0.00 -0.67 2.12 -1.26 -1.13 118.70 120.61 1vpf s GLU 64 Ca 0.00 -1.21 0.00 0.00 0.36 0.00 0.00 54.97 54.12 1vpf s GLU 64 Cb 0.00 -5.28 0.00 0.00 0.26 0.00 0.00 34.13 29.11 1vpf s GLU 64 CO 0.00 -3.47 0.00 0.41 -0.54 0.00 0.00 175.26 171.66 1vpf n GLY 65 N 5.93 0.12 3.88 -1.50 0.00 -1.26 -5.09 105.19 107.26 1vpf n GLY 65 Ca 0.44 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 46.08 1vpf n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vpf s LEU 66 N -1.59 4.18 0.02 0.99 1.43 -0.29 -3.04 118.68 120.39 1vpf s LEU 66 Ca 0.00 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1vpf s LEU 66 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1vpf s LEU 66 CO 0.00 -0.06 -0.05 -1.83 0.23 0.00 0.00 176.35 174.64 1vpf s GLU 67 N -2.83 0.40 -0.45 1.70 -1.05 0.16 -4.78 118.70 111.86 1vpf s GLU 67 Ca 0.46 -0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 54.54 1vpf s GLU 67 Cb -0.11 -0.25 0.03 0.00 -0.44 0.00 0.00 34.13 33.36 1vpf s GLU 67 CO 0.22 0.05 1.13 0.00 0.95 0.00 0.00 175.26 177.62 1vpf s VAL 69 N 4.33 0.93 0.42 0.00 0.11 -0.68 -4.85 120.40 120.65 1vpf s VAL 69 Ca 0.48 -1.55 -0.24 0.00 -2.93 0.00 0.00 61.98 57.73 1vpf s VAL 69 Cb -0.08 -1.26 -0.08 0.00 -1.53 0.00 0.00 36.38 33.43 1vpf s VAL 69 CO 0.29 -0.50 1.14 -2.16 -3.33 0.00 0.00 175.10 170.54 1vpf s PRO 70 N -2.56 4.00 0.00 1.54 0.04 -1.26 -0.69 135.00 136.07 1vpf s PRO 70 Ca 0.03 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1vpf s PRO 70 Cb -0.04 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1vpf s PRO 70 CO 0.00 -0.34 0.38 0.25 0.04 0.00 0.00 177.00 177.33 1vpf n THR 71 N -0.11 0.00 -3.65 1.26 -2.24 0.35 -4.84 114.28 105.05 1vpf n THR 71 Ca 0.05 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 1vpf n THR 71 Cb 0.48 1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 69.77 1vpf n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1vpf s GLU 72 N -0.08 0.64 0.29 -0.78 2.12 -1.20 -4.94 118.70 114.74 1vpf s GLU 72 Ca 0.00 1.16 0.03 0.00 0.36 0.00 0.00 54.97 56.52 1vpf s GLU 72 Cb 0.00 0.15 -0.06 0.00 0.26 0.00 0.00 34.13 34.49 1vpf s GLU 72 CO 0.00 -0.16 0.05 -1.21 -0.54 0.00 0.00 175.26 173.41 1vpf s GLU 73 N 1.68 1.53 0.32 4.30 2.02 -1.26 0.20 118.70 127.49 1vpf s GLU 73 Ca -0.10 -1.83 -0.13 0.00 0.02 0.00 0.00 54.97 52.93 1vpf s GLU 73 Cb -0.06 -0.67 0.02 0.00 0.10 0.00 0.00 34.13 33.52 1vpf s GLU 73 CO -0.19 -0.19 0.63 -1.54 0.02 0.00 0.00 175.26 173.99 1vpf s SER 74 N -3.41 0.12 0.07 -0.19 1.04 -0.65 -4.83 113.70 105.85 1vpf s SER 74 Ca 0.35 -1.05 0.08 0.00 0.48 0.00 0.00 55.95 55.81 1vpf s SER 74 Cb 0.08 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.88 1vpf s SER 74 CO 0.14 -1.39 -0.20 0.20 0.98 0.00 0.00 173.24 172.96 1vpf s ASN 75 N -3.06 3.70 -0.04 7.02 -0.87 -1.26 0.11 114.94 120.53 1vpf s ASN 75 Ca 0.20 -0.51 0.05 0.00 -1.57 0.00 0.00 52.86 51.02 1vpf s ASN 75 Cb -0.03 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.25 40.68 1vpf s ASN 75 CO 0.12 0.23 -0.20 -0.51 -2.57 0.00 0.00 177.10 174.17 1vpf s ILE 76 N -0.98 1.65 -0.13 0.60 1.10 0.46 -4.90 121.20 119.00 1vpf s ILE 76 Ca 0.15 -0.85 -0.02 0.00 -0.51 0.00 0.00 60.65 59.42 1vpf s ILE 76 Cb -0.10 -1.41 -0.02 0.00 0.15 0.00 0.00 42.46 41.08 1vpf s ILE 76 CO 0.06 0.47 -0.08 -0.89 -2.11 0.00 0.00 174.94 172.39 1vpf s THR 77 N -0.09 3.53 0.07 4.00 2.01 -1.26 -0.32 115.64 123.59 1vpf s THR 77 Ca -0.02 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1vpf s THR 77 Cb -0.12 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1vpf s THR 77 CO 0.02 0.52 -0.14 -0.04 -0.69 0.00 0.00 174.62 174.29 1vpf s MET 78 N 0.22 0.82 -0.34 4.92 1.00 0.02 -4.95 119.30 120.99 1vpf s MET 78 Ca -0.05 -0.96 -0.27 0.00 0.00 0.00 0.00 55.69 54.41 1vpf s MET 78 Cb -0.14 -0.84 0.01 0.00 0.00 0.00 0.00 34.83 33.86 1vpf s MET 78 CO 0.04 0.19 0.96 -0.65 0.00 0.00 0.00 175.02 175.55 1vpf s GLN 79 N -1.75 3.95 0.04 2.03 -0.21 -1.26 -1.46 119.66 120.99 1vpf s GLN 79 Ca -0.02 0.76 0.07 0.00 0.02 0.00 0.00 55.36 56.20 1vpf s GLN 79 Cb -0.10 -3.77 -0.02 0.00 1.00 0.00 0.00 33.01 30.12 1vpf s GLN 79 CO 0.02 -0.89 -0.21 0.42 -2.12 0.00 0.00 175.29 172.52 1vpf s ILE 80 N 3.46 1.65 -0.03 1.08 -1.09 0.03 -4.91 121.20 121.40 1vpf s ILE 80 Ca 0.40 -1.16 -0.05 0.00 -2.23 0.00 0.00 60.65 57.61 1vpf s ILE 80 Cb -0.12 -1.43 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 1vpf s ILE 80 CO 0.16 0.23 0.20 -0.04 -1.23 0.00 0.00 174.94 174.26 1vpf s MET 81 N -1.11 3.48 -0.03 2.79 -1.94 -0.53 -0.99 119.30 120.98 1vpf s MET 81 Ca 0.07 -0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 53.82 1vpf s MET 81 Cb -0.09 -3.11 0.01 0.00 2.01 0.00 0.00 34.83 33.65 1vpf s MET 81 CO 0.01 0.69 0.09 -0.98 -0.01 0.00 0.00 175.02 174.82 1vpf s ARG 82 N -1.70 0.12 -0.01 2.03 1.70 -0.40 -0.85 118.95 119.83 1vpf s ARG 82 Ca 0.25 0.10 0.01 0.00 -0.47 0.00 0.00 55.73 55.63 1vpf s ARG 82 Cb -0.13 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.31 1vpf s ARG 82 CO 0.15 -0.02 -0.04 -1.50 -1.08 0.00 0.00 175.30 172.81 1vpf s ILE 83 N -0.01 0.38 0.10 4.99 2.07 -0.73 -1.50 121.20 126.51 1vpf s ILE 83 Ca -0.01 -0.16 -0.12 0.00 -1.41 0.00 0.00 60.65 58.96 1vpf s ILE 83 Cb -0.01 -0.35 -0.06 0.00 0.13 0.00 0.00 42.46 42.17 1vpf s ILE 83 CO 0.00 0.13 0.46 -0.54 -1.91 0.00 0.00 174.94 173.08 1vpf s LYS 84 N 0.16 3.85 0.10 3.50 -0.14 -1.26 -1.97 119.74 123.97 1vpf s LYS 84 Ca -0.01 0.30 -0.33 0.00 -1.36 0.00 0.00 55.97 54.57 1vpf s LYS 84 Cb -0.05 -2.99 -0.12 0.00 -1.68 0.00 0.00 37.83 32.99 1vpf s LYS 84 CO -0.00 0.54 1.75 -0.35 -0.76 0.00 0.00 175.35 176.52 1vpf n PRO 85 N 0.92 2.44 0.00 -1.68 -0.04 -1.26 -1.88 135.00 133.49 1vpf n PRO 85 Ca -0.07 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 1vpf n PRO 85 Cb 0.52 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1vpf n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1vpf n HIS 86 N 4.97 0.00 -2.43 0.54 8.25 -1.26 -5.01 115.22 120.28 1vpf n HIS 86 Ca 0.18 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.40 1vpf n HIS 86 Cb 0.32 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.52 1vpf n HIS 86 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1vpf s GLN 87 N -0.07 1.91 0.70 -0.41 1.11 -0.79 -5.09 119.66 117.02 1vpf s GLN 87 Ca 0.00 -0.73 -0.11 0.00 0.01 0.00 0.00 55.36 54.53 1vpf s GLN 87 Cb 0.00 -2.27 0.01 0.00 -1.01 0.00 0.00 33.01 29.73 1vpf s GLN 87 CO 0.00 -1.32 1.07 0.20 0.01 0.00 0.00 175.29 175.25 1vpf s GLY 88 N -4.62 1.64 0.23 3.09 0.00 -1.26 -4.63 107.32 101.77 1vpf s GLY 88 Ca 0.63 -0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 1vpf s GLY 88 CO 0.44 0.14 1.18 1.20 0.00 0.00 0.00 173.10 176.06 1vpf s GLN 89 N -5.24 4.52 0.12 2.90 -1.52 -1.26 -4.43 119.66 114.75 1vpf s GLN 89 Ca 0.58 1.89 0.10 0.00 -1.95 0.00 0.00 55.36 55.98 1vpf s GLN 89 Cb -0.12 -3.21 -0.04 0.00 -0.22 0.00 0.00 33.01 29.42 1vpf s GLN 89 CO 0.53 -0.01 -0.21 -1.01 -0.25 0.00 0.00 175.29 174.34 1vpf s HIS 90 N -0.49 2.46 -0.04 0.91 3.76 -0.56 -5.00 115.29 116.33 1vpf s HIS 90 Ca 0.50 -0.30 0.03 0.00 -0.15 0.00 0.00 55.06 55.14 1vpf s HIS 90 Cb -0.33 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1vpf s HIS 90 CO 0.40 0.37 -0.13 -1.50 -0.85 0.00 0.00 174.74 173.02 1vpf s ILE 91 N -1.11 1.13 0.00 0.60 2.07 -1.26 -1.28 121.20 121.35 1vpf s ILE 91 Ca 0.17 -0.55 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 1vpf s ILE 91 Cb -0.10 -0.99 0.00 0.00 0.13 0.00 0.00 42.46 41.50 1vpf s ILE 91 CO 0.09 0.34 0.00 0.61 -1.91 0.00 0.00 174.94 174.06 1vpf n GLY 92 N 3.26 2.90 3.51 1.50 0.00 -0.16 -4.99 105.19 111.21 1vpf n GLY 92 Ca -0.19 -1.10 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 1vpf n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vpf s GLU 93 N -0.95 2.69 -0.01 1.61 2.02 -1.26 -0.79 118.70 122.02 1vpf s GLU 93 Ca 0.00 -0.63 0.03 0.00 0.02 0.00 0.00 54.97 54.39 1vpf s GLU 93 Cb 0.00 -2.49 -0.01 0.00 0.10 0.00 0.00 34.13 31.73 1vpf s GLU 93 CO 0.00 0.60 -0.10 -1.64 0.02 0.00 0.00 175.26 174.15 1vpf s MET 94 N -0.66 0.81 -0.07 1.61 -1.94 -0.54 -4.94 119.30 113.57 1vpf s MET 94 Ca 0.10 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1vpf s MET 94 Cb -0.11 -0.78 -0.03 0.00 2.01 0.00 0.00 34.83 35.92 1vpf s MET 94 CO 0.01 0.19 -0.05 -1.12 -0.01 0.00 0.00 175.02 174.04 1vpf s SER 95 N -0.16 4.78 0.11 3.03 0.01 -1.26 -0.80 113.70 119.40 1vpf s SER 95 Ca 0.03 0.01 0.08 0.00 1.31 0.00 0.00 55.95 57.39 1vpf s SER 95 Cb -0.04 -1.24 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 1vpf s SER 95 CO -0.00 0.36 -0.21 -0.36 0.41 0.00 0.00 173.24 173.44 1vpf s PHE 96 N -0.81 1.84 -0.11 2.43 0.08 0.57 -4.93 117.98 117.05 1vpf s PHE 96 Ca 0.12 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.46 1vpf s PHE 96 Cb -0.11 -1.00 -0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1vpf s PHE 96 CO 0.02 0.22 1.06 -1.17 -0.10 0.00 0.00 175.22 175.24 1vpf s LEU 97 N -1.95 4.24 0.17 -0.37 2.96 -1.26 -0.41 118.68 122.05 1vpf s LEU 97 Ca 0.07 1.58 0.08 0.00 -0.22 0.00 0.00 54.13 55.65 1vpf s LEU 97 Cb -0.10 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 1vpf s LEU 97 CO 0.04 -0.50 -0.09 -1.10 -1.32 0.00 0.00 176.35 173.38 1vpf s GLN 98 N 2.20 2.09 -0.27 1.98 -0.21 0.12 -4.81 119.66 120.76 1vpf s GLN 98 Ca 0.50 -1.21 -0.07 0.00 0.02 0.00 0.00 55.36 54.59 1vpf s GLN 98 Cb -0.19 -2.20 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 1vpf s GLN 98 CO 0.18 0.45 0.06 -1.01 -2.12 0.00 0.00 175.29 172.84 1vpf s HIS 99 N -1.62 3.09 -0.58 0.91 3.76 0.61 -1.64 115.29 119.83 1vpf s HIS 99 Ca 0.24 -0.73 0.23 0.00 -0.15 0.00 0.00 55.06 54.65 1vpf s HIS 99 Cb -0.09 -2.23 -0.02 0.00 1.11 0.00 0.00 32.58 31.35 1vpf s HIS 99 CO 0.15 -0.48 0.96 0.09 -0.85 0.00 0.00 174.74 174.61 1vpf n ASN 100 N 4.88 0.59 -3.68 1.40 4.13 0.13 -4.54 115.26 118.18 1vpf n ASN 100 Ca -0.16 -0.25 -0.13 0.00 1.68 0.00 0.00 54.58 55.72 1vpf n ASN 100 Cb 0.50 0.92 -0.08 0.00 -1.54 0.00 0.00 39.78 39.58 1vpf n ASN 100 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1vpf s LYS 101 N -3.22 0.67 0.33 3.52 2.20 -1.17 -4.91 119.74 117.15 1vpf s LYS 101 Ca 0.03 0.80 0.06 0.00 -0.36 0.00 0.00 55.97 56.50 1vpf s LYS 101 Cb 0.14 0.32 -0.07 0.00 -1.51 0.00 0.00 37.83 36.72 1vpf s LYS 101 CO 0.82 -0.08 -0.02 0.00 -0.36 0.00 0.00 175.35 175.71 1vpf s GLU 103 N -3.75 0.91 -0.02 0.00 2.12 0.14 -4.80 118.70 113.30 1vpf s GLU 103 Ca 0.33 0.72 -0.27 0.00 0.36 0.00 0.00 54.97 56.10 1vpf s GLU 103 Cb 0.06 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.86 1vpf s GLU 103 CO 0.15 -0.18 0.86 0.00 -0.54 0.00 0.00 175.26 175.55 1vpf s ARG 105 N 0.86 1.13 0.99 0.00 0.52 -0.47 -4.85 118.95 117.13 1vpf s ARG 105 Ca 0.46 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.77 1vpf s ARG 105 Cb -0.20 0.47 0.15 0.00 0.52 0.00 0.00 34.95 35.89 1vpf s ARG 105 CO 0.24 -0.45 0.88 -0.35 0.02 0.00 0.00 175.30 175.64 1vpf n PRO 106 N -0.24 -0.90 0.00 3.54 -0.04 -1.26 0.39 135.00 136.48 1vpf n PRO 106 Ca -0.14 -0.21 0.07 0.00 -0.04 0.00 0.00 63.50 63.18 1vpf n PRO 106 Cb 0.63 -2.17 0.06 0.00 -0.04 0.00 0.00 33.50 31.98 1vpf n PRO 106 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09