#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vpf s VAL 14 N 0.00 4.25 0.08 3.84 1.01 -1.26 -4.99 120.40 123.32 2vpf s VAL 14 Ca 0.00 1.56 -0.31 0.00 0.00 0.00 0.00 61.98 63.24 2vpf s VAL 14 Cb 0.00 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 2vpf s VAL 14 CO 0.00 -0.02 1.36 -0.69 0.00 0.00 0.00 175.10 175.75 2vpf s VAL 15 N 2.41 3.52 0.44 2.92 1.01 -1.26 -4.98 120.40 124.46 2vpf s VAL 15 Ca 0.56 1.06 -0.22 0.00 0.00 0.00 0.00 61.98 63.38 2vpf s VAL 15 Cb -0.24 -3.68 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 2vpf s VAL 15 CO 0.21 0.06 1.00 -0.54 0.00 0.00 0.00 175.10 175.83 2vpf s LYS 16 N 1.39 4.09 0.17 2.72 -0.14 -1.26 -4.86 119.74 121.85 2vpf s LYS 16 Ca 0.63 1.29 -0.24 0.00 -1.36 0.00 0.00 55.97 56.29 2vpf s LYS 16 Cb -0.34 -2.26 0.06 0.00 -1.68 0.00 0.00 37.83 33.61 2vpf s LYS 16 CO 0.29 -0.17 1.57 0.35 -0.76 0.00 0.00 175.35 176.64 2vpf h PHE 17 N 1.98 -1.17 0.00 3.18 3.57 -2.00 -1.58 116.94 120.93 2vpf h PHE 17 Ca -0.49 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 2vpf h PHE 17 Cb 1.20 0.59 -0.00 0.00 2.79 0.00 0.00 35.95 40.53 2vpf h PHE 17 CO 0.59 -0.41 -0.16 1.98 -2.23 0.00 0.00 178.31 178.08 2vpf h MET 18 N -0.22 0.00 -0.08 1.11 4.05 -1.99 -1.36 114.93 116.43 2vpf h MET 18 Ca 0.19 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.55 2vpf h MET 18 Cb 0.56 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 2vpf h MET 18 CO -0.67 0.16 -0.19 0.22 0.23 0.00 0.00 176.91 176.65 2vpf h ASP 19 N 0.00 0.30 -0.08 1.39 3.58 -1.70 -2.42 116.42 117.50 2vpf h ASP 19 Ca -0.00 -0.59 0.02 0.00 0.42 0.00 0.00 57.03 56.88 2vpf h ASP 19 Cb 0.36 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2vpf h ASP 19 CO 0.02 0.84 -0.04 0.58 -2.88 0.00 0.00 179.24 177.76 2vpf h VAL 20 N -0.21 0.87 0.08 2.25 2.07 -1.05 -1.34 116.25 118.91 2vpf h VAL 20 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2vpf h VAL 20 Cb 0.80 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2vpf h VAL 20 CO 0.04 0.00 -0.44 0.22 0.02 0.00 0.00 177.57 177.41 2vpf h TYR 21 N -0.04 -1.26 -0.43 1.57 5.03 -1.30 -1.21 116.97 119.33 2vpf h TYR 21 Ca 0.04 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.39 2vpf h TYR 21 Cb 0.10 0.54 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 2vpf h TYR 21 CO -0.15 -0.53 0.27 1.96 -1.32 0.00 0.00 178.16 178.39 2vpf h GLN 22 N -0.65 0.57 0.00 1.82 4.20 -1.35 -2.59 115.11 117.12 2vpf h GLN 22 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2vpf h GLN 22 Cb 0.69 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2vpf h GLN 22 CO -0.28 0.39 -0.19 0.00 -0.67 0.00 0.00 178.83 178.09 2vpf h ARG 23 N 0.59 0.00 0.00 1.46 3.08 -0.96 -3.31 114.38 115.23 2vpf h ARG 23 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2vpf h ARG 23 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2vpf h ARG 23 CO -0.03 0.00 -1.38 -1.13 -1.07 0.00 0.00 179.97 176.36 2vpf n SER 24 N -2.72 0.49 -4.75 7.04 3.41 -0.48 -4.99 113.62 111.62 2vpf n SER 24 Ca 0.04 -0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 57.97 2vpf n SER 24 Cb 0.50 1.26 -0.03 0.00 -0.26 0.00 0.00 64.21 65.68 2vpf n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2vpf s TYR 25 N -3.28 3.23 0.00 7.33 6.14 -1.02 -1.52 117.35 128.23 2vpf s TYR 25 Ca 0.00 1.37 0.00 0.00 0.64 0.00 0.00 57.07 59.08 2vpf s TYR 25 Cb 0.14 -3.58 0.00 0.00 0.42 0.00 0.00 41.96 38.94 2vpf s TYR 25 CO 0.86 -1.65 0.00 0.00 0.64 0.00 0.00 175.55 175.40 2vpf s HIS 27 N 0.00 -0.14 -0.00 0.00 -3.43 -0.85 -4.91 115.29 105.96 2vpf s HIS 27 Ca 0.00 -0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 53.88 2vpf s HIS 27 Cb 0.00 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 31.69 2vpf s HIS 27 CO 0.00 -0.61 1.35 -2.14 -2.00 0.00 0.00 174.74 171.34 2vpf s PRO 28 N -3.00 4.30 0.05 -0.38 0.02 -1.26 -1.39 135.00 133.34 2vpf s PRO 28 Ca 0.12 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.07 2vpf s PRO 28 Cb 0.00 -3.54 -0.03 0.00 0.02 0.00 0.00 34.50 30.95 2vpf s PRO 28 CO -0.01 -0.53 -0.10 -1.50 -0.33 0.00 0.00 177.00 174.53 2vpf s ILE 29 N 2.24 0.71 0.09 2.83 2.07 0.22 -4.84 121.20 124.53 2vpf s ILE 29 Ca 0.62 -1.14 -0.31 0.00 -1.41 0.00 0.00 60.65 58.41 2vpf s ILE 29 Cb -0.30 -0.75 -0.10 0.00 0.13 0.00 0.00 42.46 41.44 2vpf s ILE 29 CO 0.26 -0.33 1.87 -0.70 -1.91 0.00 0.00 174.94 174.13 2vpf s GLU 30 N -1.62 4.14 -0.04 3.50 2.12 -1.26 -1.86 118.70 123.69 2vpf s GLU 30 Ca -0.07 2.59 0.04 0.00 0.36 0.00 0.00 54.97 57.88 2vpf s GLU 30 Cb -0.10 -3.78 -0.00 0.00 0.26 0.00 0.00 34.13 30.50 2vpf s GLU 30 CO 0.01 -0.88 -0.16 0.99 -0.54 0.00 0.00 175.26 174.68 2vpf s THR 31 N 3.31 1.35 -0.31 -1.70 2.01 0.83 -4.94 115.64 116.19 2vpf s THR 31 Ca 0.83 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 2vpf s THR 31 Cb -0.45 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 2vpf s THR 31 CO 0.38 0.39 0.51 -0.76 -0.69 0.00 0.00 174.62 174.44 2vpf s LEU 32 N -0.01 4.21 -0.14 4.42 2.01 -1.26 -0.55 118.68 127.36 2vpf s LEU 32 Ca -0.02 0.20 -0.00 0.00 0.01 0.00 0.00 54.13 54.32 2vpf s LEU 32 Cb -0.10 -2.60 -0.01 0.00 0.01 0.00 0.00 46.19 43.48 2vpf s LEU 32 CO 0.02 -0.39 -0.13 -0.69 1.01 0.00 0.00 176.35 176.16 2vpf s VAL 33 N 2.35 2.96 0.12 -1.59 1.01 -0.12 -4.90 120.40 120.23 2vpf s VAL 33 Ca 0.19 -0.69 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 2vpf s VAL 33 Cb -0.15 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 2vpf s VAL 33 CO 0.12 0.52 1.47 -0.62 0.00 0.00 0.00 175.10 176.58 2vpf s ASP 34 N 0.50 6.73 0.07 3.32 -1.08 -1.26 -1.54 116.67 123.40 2vpf s ASP 34 Ca -0.09 2.42 -0.20 0.00 -0.52 0.00 0.00 52.55 54.16 2vpf s ASP 34 Cb -0.16 -2.58 -0.11 0.00 -1.46 0.00 0.00 42.92 38.61 2vpf s ASP 34 CO 0.04 -0.73 1.48 0.40 0.52 0.00 0.00 175.17 176.88 2vpf h ILE 35 N 4.27 1.27 -0.16 4.11 2.04 -1.54 -2.96 117.51 124.54 2vpf h ILE 35 Ca -0.42 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2vpf h ILE 35 Cb 1.20 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2vpf h ILE 35 CO 0.89 0.29 0.10 0.15 0.00 0.00 0.00 178.15 179.58 2vpf h PHE 36 N 0.11 0.20 -0.45 1.37 3.57 -1.84 0.16 116.94 120.07 2vpf h PHE 36 Ca 0.05 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2vpf h PHE 36 Cb 0.44 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2vpf h PHE 36 CO 0.04 0.13 -0.05 -0.56 -2.23 0.00 0.00 178.31 175.64 2vpf h GLN 37 N 0.22 0.77 0.00 1.11 3.07 -1.93 -1.47 115.11 116.88 2vpf h GLN 37 Ca 0.06 -0.23 -0.06 0.00 0.09 0.00 0.00 58.65 58.51 2vpf h GLN 37 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 27.45 2vpf h GLN 37 CO -0.01 0.81 -0.28 0.93 0.09 0.00 0.00 178.83 180.37 2vpf h GLU 38 N 0.71 0.00 -2.11 0.06 4.39 -0.59 -3.37 114.58 113.67 2vpf h GLU 38 Ca 0.13 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.26 2vpf h GLU 38 Cb 0.51 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.75 2vpf h GLU 38 CO 0.03 0.28 -0.87 0.66 -1.16 0.00 0.00 179.01 177.95 2vpf n TYR 39 N -3.21 1.79 0.45 4.33 4.02 -0.26 -4.97 117.16 119.30 2vpf n TYR 39 Ca 0.02 -3.87 0.06 0.00 -0.01 0.00 0.00 57.90 54.10 2vpf n TYR 39 Cb 0.61 -0.46 0.27 0.00 -0.02 0.00 0.00 39.34 39.74 2vpf n TYR 39 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2vpf n PRO 40 N 0.82 0.03 0.05 -0.72 -0.04 -0.58 -2.06 135.00 132.50 2vpf n PRO 40 Ca 0.26 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 2vpf n PRO 40 Cb 0.49 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.83 2vpf n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vpf n ASP 41 N -1.47 0.54 -3.54 3.54 8.00 -1.26 -4.41 116.55 117.94 2vpf n ASP 41 Ca 0.03 0.35 -0.41 0.00 0.71 0.00 0.00 54.79 55.48 2vpf n ASP 41 Cb 0.14 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.86 2vpf n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2vpf n GLU 42 N -1.94 3.88 0.29 -1.24 -0.58 -0.87 -4.70 120.64 115.48 2vpf n GLU 42 Ca 0.05 -2.97 0.18 0.00 -0.42 0.00 0.00 57.16 54.01 2vpf n GLU 42 Cb 0.40 -2.84 0.84 0.00 -0.57 0.00 0.00 31.44 29.27 2vpf n GLU 42 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2vpf h ILE 43 N 3.15 0.08 0.00 -3.67 3.07 -1.87 -2.83 117.51 115.44 2vpf h ILE 43 Ca 0.68 -0.39 0.00 0.00 1.55 0.00 0.00 64.86 66.70 2vpf h ILE 43 Cb 0.41 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 2vpf h ILE 43 CO 1.66 0.02 0.00 -0.62 -1.05 0.00 0.00 178.15 178.16 2vpf n GLU 44 N -3.15 0.13 -4.37 0.16 1.02 -1.26 -4.94 120.64 108.22 2vpf n GLU 44 Ca -0.01 0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.08 2vpf n GLU 44 Cb 0.23 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 29.89 2vpf n GLU 44 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2vpf s TYR 45 N -3.07 1.88 0.06 -0.32 2.02 -1.07 -4.56 117.35 112.29 2vpf s TYR 45 Ca 0.11 -0.49 0.05 0.00 -0.37 0.00 0.00 57.07 56.37 2vpf s TYR 45 Cb 0.15 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.80 2vpf s TYR 45 CO 0.52 0.44 -0.06 0.96 -1.57 0.00 0.00 175.55 175.85 2vpf s ILE 46 N -2.65 3.69 -0.07 2.71 -4.36 -0.07 -4.93 121.20 115.52 2vpf s ILE 46 Ca 0.23 -0.98 -0.00 0.00 -0.26 0.00 0.00 60.65 59.64 2vpf s ILE 46 Cb -0.03 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 2vpf s ILE 46 CO 0.09 0.23 -0.04 -0.36 0.24 0.00 0.00 174.94 175.10 2vpf s PHE 47 N -1.16 3.02 -0.07 1.37 0.08 -1.26 -0.56 117.98 119.40 2vpf s PHE 47 Ca 0.21 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.37 2vpf s PHE 47 Cb -0.11 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 2vpf s PHE 47 CO 0.13 0.39 -0.13 0.15 -0.10 0.00 0.00 175.22 175.65 2vpf s LYS 48 N -0.90 1.85 1.00 0.44 -0.14 0.10 -2.81 119.74 119.27 2vpf s LYS 48 Ca 0.13 -0.46 -0.11 0.00 -1.36 0.00 0.00 55.97 54.17 2vpf s LYS 48 Cb -0.11 -1.52 0.19 0.00 -1.68 0.00 0.00 37.83 34.71 2vpf s LYS 48 CO 0.02 0.03 1.11 -1.25 -0.76 0.00 0.00 175.35 174.51 2vpf s PRO 49 N 0.68 0.36 0.01 -1.68 0.04 -1.26 -0.52 135.00 132.63 2vpf s PRO 49 Ca -0.14 1.37 0.27 0.00 0.04 0.00 0.00 61.00 62.54 2vpf s PRO 49 Cb -0.16 -1.66 0.92 0.00 0.04 0.00 0.00 34.50 33.63 2vpf s PRO 49 CO 0.04 -3.02 1.71 -1.13 0.04 0.00 0.00 177.00 174.63 2vpf n SER 50 N -4.49 0.23 -4.11 6.66 3.41 -1.12 -4.87 113.62 109.33 2vpf n SER 50 Ca 0.09 0.19 -0.09 0.00 -0.26 0.00 0.00 58.87 58.81 2vpf n SER 50 Cb 0.53 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 2vpf n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vpf s VAL 52 N -3.65 0.90 -0.26 0.00 -7.23 -0.59 -4.89 120.40 104.68 2vpf s VAL 52 Ca 0.07 -1.30 -0.26 0.00 -1.81 0.00 0.00 61.98 58.68 2vpf s VAL 52 Cb 0.06 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 36.02 2vpf s VAL 52 CO -0.07 -0.34 0.91 -2.16 -0.31 0.00 0.00 175.10 173.12 2vpf s PRO 53 N -1.90 4.15 -0.01 4.82 0.05 -1.26 -0.94 135.00 139.91 2vpf s PRO 53 Ca -0.03 1.00 0.03 0.00 0.05 0.00 0.00 61.00 62.06 2vpf s PRO 53 Cb -0.09 -3.67 -0.01 0.00 0.05 0.00 0.00 34.50 30.79 2vpf s PRO 53 CO 0.01 -0.62 -0.11 -0.51 0.05 0.00 0.00 177.00 175.82 2vpf s LEU 54 N 3.06 2.03 -0.18 -3.56 1.43 0.29 -4.92 118.68 116.82 2vpf s LEU 54 Ca 0.38 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 2vpf s LEU 54 Cb -0.15 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 2vpf s LEU 54 CO 0.09 0.13 1.39 -0.04 0.23 0.00 0.00 176.35 178.15 2vpf s MET 55 N -0.30 4.09 0.01 1.70 -1.94 -1.26 -0.12 119.30 121.47 2vpf s MET 55 Ca 0.04 1.67 -0.01 0.00 -1.71 0.00 0.00 55.69 55.68 2vpf s MET 55 Cb -0.04 -3.87 -0.01 0.00 2.01 0.00 0.00 34.83 32.92 2vpf s MET 55 CO -0.00 -0.91 -0.00 1.03 -0.01 0.00 0.00 175.02 175.13 2vpf s ARG 56 N 3.92 0.20 0.31 2.03 1.81 -0.78 -0.76 118.95 125.68 2vpf s ARG 56 Ca 0.61 -0.33 -0.30 0.00 -1.72 0.00 0.00 55.73 53.99 2vpf s ARG 56 Cb -0.23 0.07 -0.11 0.00 -0.45 0.00 0.00 34.95 34.23 2vpf s ARG 56 CO 0.21 -0.03 1.58 0.00 -0.68 0.00 0.00 175.30 176.38 2vpf s GLY 58 N 0.36 0.19 0.00 0.00 0.00 -0.49 -4.86 107.32 102.52 2vpf s GLY 58 Ca 0.61 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.77 2vpf s GLY 58 CO 0.52 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.99 2vpf n GLY 59 N -0.49 -1.72 3.47 0.20 0.00 -1.26 -2.00 105.19 103.38 2vpf n GLY 59 Ca -0.06 -1.99 -0.23 0.00 0.00 0.00 0.00 46.02 43.74 2vpf n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vpf h ASN 62 N 0.31 0.00 -5.01 0.00 2.35 -2.00 -3.45 115.58 107.78 2vpf h ASN 62 Ca -0.31 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 2vpf h ASN 62 Cb 1.29 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 39.55 2vpf h ASN 62 CO 0.45 0.00 0.18 1.51 -1.65 0.00 0.00 177.43 177.92 2vpf s ASP 63 N -4.74 -0.49 0.00 5.81 1.47 -1.26 -5.06 116.67 112.41 2vpf s ASP 63 Ca 0.04 -0.13 0.14 0.00 1.18 0.00 0.00 52.55 53.78 2vpf s ASP 63 Cb 0.09 0.61 0.85 0.00 -0.34 0.00 0.00 42.92 44.13 2vpf s ASP 63 CO 0.47 -1.02 1.33 -0.62 0.68 0.00 0.00 175.17 176.01 2vpf n GLU 64 N -0.38 0.68 0.00 2.11 1.02 -1.26 -1.79 120.64 121.02 2vpf n GLU 64 Ca -0.15 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2vpf n GLU 64 Cb 0.64 -1.33 0.20 0.00 -0.02 0.00 0.00 31.44 30.94 2vpf n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vpf n GLY 65 N 0.30 -0.61 3.70 0.62 0.00 -1.26 -4.88 105.19 103.05 2vpf n GLY 65 Ca 0.11 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2vpf n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vpf s LEU 66 N -2.64 3.50 0.02 0.99 1.43 -0.74 -1.30 118.68 119.93 2vpf s LEU 66 Ca 0.19 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2vpf s LEU 66 Cb 0.18 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2vpf s LEU 66 CO 0.61 0.18 -0.13 -1.83 0.23 0.00 0.00 176.35 175.41 2vpf s GLU 67 N -2.30 0.90 -0.33 1.70 -1.05 0.18 -4.77 118.70 113.03 2vpf s GLU 67 Ca 0.26 -0.62 -0.21 0.00 -0.15 0.00 0.00 54.97 54.25 2vpf s GLU 67 Cb -0.12 -0.88 -0.00 0.00 -0.44 0.00 0.00 34.13 32.69 2vpf s GLU 67 CO 0.18 0.23 0.68 0.00 0.95 0.00 0.00 175.26 177.30 2vpf s VAL 69 N 2.76 0.66 0.27 0.00 -7.23 -0.39 -4.86 120.40 111.61 2vpf s VAL 69 Ca 0.27 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 2vpf s VAL 69 Cb -0.14 -1.10 -0.10 0.00 0.56 0.00 0.00 36.38 35.60 2vpf s VAL 69 CO 0.13 -0.58 1.37 -2.16 -0.31 0.00 0.00 175.10 173.56 2vpf s PRO 70 N -2.54 4.32 -0.01 4.82 0.04 -1.26 -1.50 135.00 138.88 2vpf s PRO 70 Ca -0.00 2.22 0.07 0.00 0.04 0.00 0.00 61.00 63.33 2vpf s PRO 70 Cb -0.04 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.29 2vpf s PRO 70 CO -0.01 -0.31 0.18 0.25 0.04 0.00 0.00 177.00 177.15 2vpf n THR 71 N 1.89 0.00 -3.73 1.26 -2.24 -0.47 -4.86 114.28 106.14 2vpf n THR 71 Ca 0.04 -0.20 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2vpf n THR 71 Cb 0.41 0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 69.01 2vpf n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2vpf s GLU 72 N -2.25 0.08 0.30 -0.78 2.12 -1.17 -4.97 118.70 112.04 2vpf s GLU 72 Ca -0.01 0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.77 2vpf s GLU 72 Cb 0.04 -0.20 -0.05 0.00 0.26 0.00 0.00 34.13 34.19 2vpf s GLU 72 CO 0.28 -0.20 0.09 -1.83 -0.54 0.00 0.00 175.26 173.06 2vpf s GLU 73 N 1.43 1.57 0.31 4.30 -1.05 -1.26 -0.13 118.70 123.87 2vpf s GLU 73 Ca -0.07 -1.88 -0.17 0.00 -0.15 0.00 0.00 54.97 52.70 2vpf s GLU 73 Cb -0.12 -0.51 0.03 0.00 -0.44 0.00 0.00 34.13 33.09 2vpf s GLU 73 CO -0.06 -0.29 0.69 -1.54 0.95 0.00 0.00 175.26 175.02 2vpf s SER 74 N -3.42 -0.09 0.23 0.83 1.04 -0.67 -4.85 113.70 106.76 2vpf s SER 74 Ca 0.36 -0.86 0.10 0.00 0.48 0.00 0.00 55.95 56.02 2vpf s SER 74 Cb 0.07 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 2vpf s SER 74 CO 0.15 -1.42 -0.07 0.20 0.98 0.00 0.00 173.24 173.07 2vpf s ASN 75 N -3.00 4.28 -0.01 7.02 -0.87 -1.26 -0.17 114.94 120.93 2vpf s ASN 75 Ca 0.15 -0.66 -0.01 0.00 -1.57 0.00 0.00 52.86 50.77 2vpf s ASN 75 Cb -0.05 -0.72 0.00 0.00 -0.02 0.00 0.00 41.25 40.47 2vpf s ASN 75 CO 0.09 0.05 0.02 -0.51 -2.57 0.00 0.00 177.10 174.19 2vpf s ILE 76 N -2.06 0.00 -0.13 0.60 2.07 0.03 -4.87 121.20 116.84 2vpf s ILE 76 Ca 0.28 -0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.48 2vpf s ILE 76 Cb -0.07 -0.05 -0.03 0.00 0.13 0.00 0.00 42.46 42.44 2vpf s ILE 76 CO 0.17 -0.01 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.24 2vpf s THR 77 N -0.02 3.68 0.04 4.00 2.01 -1.26 -1.04 115.64 123.05 2vpf s THR 77 Ca -0.00 -0.45 0.03 0.00 0.31 0.00 0.00 61.69 61.58 2vpf s THR 77 Cb -0.00 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 2vpf s THR 77 CO 0.00 0.52 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.33 2vpf s MET 78 N 0.10 0.58 -0.12 4.92 1.00 -0.61 -4.97 119.30 120.20 2vpf s MET 78 Ca -0.02 -0.72 -0.27 0.00 0.00 0.00 0.00 55.69 54.68 2vpf s MET 78 Cb -0.14 -0.41 -0.02 0.00 0.00 0.00 0.00 34.83 34.26 2vpf s MET 78 CO 0.03 0.08 0.89 -0.65 0.00 0.00 0.00 175.02 175.37 2vpf s GLN 79 N -1.43 4.38 -0.03 2.03 -0.21 -1.26 -1.92 119.66 121.22 2vpf s GLN 79 Ca -0.07 1.16 0.04 0.00 0.02 0.00 0.00 55.36 56.50 2vpf s GLN 79 Cb -0.09 -3.54 -0.00 0.00 1.00 0.00 0.00 33.01 30.38 2vpf s GLN 79 CO 0.01 -0.25 -0.13 0.42 -2.12 0.00 0.00 175.29 173.21 2vpf s ILE 80 N 1.85 1.10 -0.01 1.08 -1.09 -0.15 -4.91 121.20 119.07 2vpf s ILE 80 Ca 0.43 -0.55 -0.28 0.00 -2.23 0.00 0.00 60.65 58.02 2vpf s ILE 80 Cb -0.18 -0.95 -0.03 0.00 -1.58 0.00 0.00 42.46 39.72 2vpf s ILE 80 CO 0.16 0.32 0.90 -0.32 -1.23 0.00 0.00 174.94 174.78 2vpf s MET 81 N 0.02 4.53 -0.22 2.79 -2.45 0.32 -1.51 119.30 122.78 2vpf s MET 81 Ca -0.01 1.27 -0.04 0.00 -1.25 0.00 0.00 55.69 55.66 2vpf s MET 81 Cb -0.09 -3.45 -0.01 0.00 1.25 0.00 0.00 34.83 32.53 2vpf s MET 81 CO 0.01 -0.01 -0.05 -0.98 1.05 0.00 0.00 175.02 175.04 2vpf s ARG 82 N 0.91 3.36 -0.12 4.11 1.70 0.15 -0.72 118.95 128.34 2vpf s ARG 82 Ca 0.48 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 55.09 2vpf s ARG 82 Cb -0.20 -2.98 -0.02 0.00 -0.57 0.00 0.00 34.95 31.18 2vpf s ARG 82 CO 0.25 -0.19 -0.08 0.42 -1.08 0.00 0.00 175.30 174.62 2vpf s ILE 83 N 1.44 3.54 -0.39 4.99 1.01 0.27 -1.33 121.20 130.74 2vpf s ILE 83 Ca 0.05 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 2vpf s ILE 83 Cb -0.14 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.90 2vpf s ILE 83 CO -0.04 0.54 0.20 -0.54 0.00 0.00 0.00 174.94 175.10 2vpf s LYS 84 N -0.05 2.59 0.11 2.79 1.02 -0.09 -0.89 119.74 125.21 2vpf s LYS 84 Ca -0.00 -1.36 -0.35 0.00 0.02 0.00 0.00 55.97 54.27 2vpf s LYS 84 Cb -0.14 -3.66 -0.17 0.00 -0.52 0.00 0.00 37.83 33.35 2vpf s LYS 84 CO 0.03 -0.84 1.24 -2.30 -0.92 0.00 0.00 175.35 172.56 2vpf n PRO 85 N 4.87 1.03 -0.90 -1.68 -0.02 -1.26 -0.45 135.00 136.58 2vpf n PRO 85 Ca -0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2vpf n PRO 85 Cb 0.44 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2vpf n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2vpf n HIS 86 N 2.03 0.00 0.00 6.00 8.25 -1.26 -4.79 115.22 125.45 2vpf n HIS 86 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2vpf n HIS 86 Cb 0.20 -1.74 0.00 0.00 1.12 0.00 0.00 29.99 29.57 2vpf n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2vpf n GLN 87 N 0.11 0.00 0.00 -0.41 6.02 0.40 -5.15 117.38 118.35 2vpf n GLN 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2vpf n GLN 87 Cb 0.36 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 31.11 2vpf n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2vpf n GLY 88 N 3.01 0.03 3.08 1.08 0.00 -0.99 -5.02 105.19 106.38 2vpf n GLY 88 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 2vpf n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vpf s GLN 89 N -2.00 0.58 -0.21 1.61 1.11 -1.26 -0.92 119.66 118.57 2vpf s GLN 89 Ca 0.00 -0.90 -0.16 0.00 0.01 0.00 0.00 55.36 54.31 2vpf s GLN 89 Cb 0.00 -0.20 0.06 0.00 -1.01 0.00 0.00 33.01 31.86 2vpf s GLN 89 CO 0.00 0.02 0.54 -1.58 0.01 0.00 0.00 175.29 174.28 2vpf s HIS 90 N -2.05 -0.70 -0.04 0.91 2.46 -0.44 -4.99 115.29 110.44 2vpf s HIS 90 Ca -0.05 1.56 -0.20 0.00 0.47 0.00 0.00 55.06 56.84 2vpf s HIS 90 Cb -0.05 0.31 -0.05 0.00 -0.13 0.00 0.00 32.58 32.66 2vpf s HIS 90 CO -0.02 -0.35 0.58 0.42 -2.47 0.00 0.00 174.74 172.90 2vpf s ILE 91 N 0.84 5.00 0.24 0.89 1.01 -1.26 -0.67 121.20 127.26 2vpf s ILE 91 Ca -0.04 1.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.75 2vpf s ILE 91 Cb -0.05 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2vpf s ILE 91 CO -0.07 0.37 0.31 -0.83 0.00 0.00 0.00 174.94 174.73 2vpf s GLY 92 N 0.14 1.18 -0.03 6.18 0.00 -0.57 -4.96 107.32 109.26 2vpf s GLY 92 Ca 0.31 -1.40 -0.21 0.00 0.00 0.00 0.00 44.72 43.41 2vpf s GLY 92 CO 0.16 -1.07 0.61 -0.54 0.00 0.00 0.00 173.10 172.26 2vpf s GLU 93 N -3.92 4.36 -0.01 2.90 2.02 -1.26 -0.98 118.70 121.80 2vpf s GLU 93 Ca 0.32 0.75 0.03 0.00 0.02 0.00 0.00 54.97 56.09 2vpf s GLU 93 Cb 0.03 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 30.88 2vpf s GLU 93 CO 0.13 0.28 -0.11 -1.64 0.02 0.00 0.00 175.26 173.94 2vpf s MET 94 N 0.11 0.93 -0.13 1.61 -1.94 -0.81 -4.97 119.30 114.10 2vpf s MET 94 Ca 0.32 -0.37 -0.06 0.00 -1.71 0.00 0.00 55.69 53.88 2vpf s MET 94 Cb -0.18 -0.89 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 2vpf s MET 94 CO 0.17 0.20 0.08 0.45 -0.01 0.00 0.00 175.02 175.91 2vpf s SER 95 N -0.12 5.88 0.12 3.03 0.15 -1.26 -1.57 113.70 119.93 2vpf s SER 95 Ca 0.02 0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.99 2vpf s SER 95 Cb -0.06 -1.87 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 2vpf s SER 95 CO -0.00 0.34 -0.11 -0.36 1.20 0.00 0.00 173.24 174.31 2vpf s PHE 96 N -0.64 1.17 -0.03 3.44 0.08 -0.21 -4.96 117.98 116.84 2vpf s PHE 96 Ca 0.12 -0.67 -0.19 0.00 0.12 0.00 0.00 56.93 56.30 2vpf s PHE 96 Cb -0.12 -0.62 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 2vpf s PHE 96 CO 0.02 0.04 0.54 -1.17 -0.10 0.00 0.00 175.22 174.56 2vpf s LEU 97 N -2.67 4.40 0.32 -0.37 2.96 -1.26 -0.79 118.68 121.27 2vpf s LEU 97 Ca 0.09 1.05 0.10 0.00 -0.22 0.00 0.00 54.13 55.15 2vpf s LEU 97 Cb -0.01 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.80 2vpf s LEU 97 CO 0.01 0.12 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.01 2vpf s GLN 98 N -0.15 2.01 -0.12 1.98 -0.21 0.75 -4.86 119.66 119.06 2vpf s GLN 98 Ca 0.29 -1.73 0.00 0.00 0.02 0.00 0.00 55.36 53.94 2vpf s GLN 98 Cb -0.17 -1.91 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 2vpf s GLN 98 CO 0.15 0.20 -0.14 -1.01 -2.12 0.00 0.00 175.29 172.37 2vpf s HIS 99 N -2.50 2.78 -0.16 0.91 3.76 0.06 -1.67 115.29 118.46 2vpf s HIS 99 Ca 0.33 -0.67 0.17 0.00 -0.15 0.00 0.00 55.06 54.74 2vpf s HIS 99 Cb -0.02 -1.82 -0.24 0.00 1.11 0.00 0.00 32.58 31.61 2vpf s HIS 99 CO 0.18 -0.22 0.11 0.09 -0.85 0.00 0.00 174.74 174.06 2vpf n ASN 100 N 3.49 0.41 -3.72 1.40 4.13 0.82 -4.51 115.26 117.28 2vpf n ASN 100 Ca -0.18 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 55.94 2vpf n ASN 100 Cb 0.53 1.08 -0.08 0.00 -1.54 0.00 0.00 39.78 39.77 2vpf n ASN 100 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2vpf s LYS 101 N -2.57 0.75 0.14 3.52 1.02 -1.13 -4.89 119.74 116.58 2vpf s LYS 101 Ca -0.09 -0.19 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 2vpf s LYS 101 Cb 0.06 0.34 -0.04 0.00 -0.52 0.00 0.00 37.83 37.67 2vpf s LYS 101 CO 0.77 -0.22 0.04 0.00 -0.92 0.00 0.00 175.35 175.03 2vpf s GLU 103 N -4.02 0.83 -0.34 0.00 2.12 -0.56 -4.84 118.70 111.89 2vpf s GLU 103 Ca 0.24 -0.52 -0.19 0.00 0.36 0.00 0.00 54.97 54.86 2vpf s GLU 103 Cb 0.07 0.36 -0.01 0.00 0.26 0.00 0.00 34.13 34.82 2vpf s GLU 103 CO 0.02 -0.27 0.55 0.00 -0.54 0.00 0.00 175.26 175.02 2vpf s ARG 105 N 2.48 1.25 0.31 0.00 0.52 -0.14 -4.84 118.95 118.54 2vpf s ARG 105 Ca 0.21 -1.28 -0.29 0.00 -0.52 0.00 0.00 55.73 53.85 2vpf s ARG 105 Cb -0.15 -1.53 -0.13 0.00 0.52 0.00 0.00 34.95 33.65 2vpf s ARG 105 CO 0.13 0.35 1.25 -2.30 0.02 0.00 0.00 175.30 174.75 2vpf n PRO 106 N 0.82 1.94 -2.58 3.54 -0.02 -1.26 -0.65 135.00 136.78 2vpf n PRO 106 Ca -0.17 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 2vpf n PRO 106 Cb 0.54 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 2vpf n PRO 106 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2vpf s LYS 107 N -1.52 4.64 0.00 -0.52 1.02 -0.42 -4.80 119.74 118.13 2vpf s LYS 107 Ca 0.59 1.64 0.29 0.00 0.02 0.00 0.00 55.97 58.50 2vpf s LYS 107 Cb -0.62 -3.30 1.21 0.00 -0.52 0.00 0.00 37.83 34.61 2vpf s LYS 107 CO 0.59 0.15 1.84 1.63 -0.92 0.00 0.00 175.35 178.64