#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 3.64 0.47 2.52 1.01 -1.26 -4.98 120.40 121.80 1vpf s VAL 15 Ca 0.00 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.89 1vpf s VAL 15 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1vpf s VAL 15 CO 0.00 0.06 1.20 -0.54 0.00 0.00 0.00 175.10 175.82 1vpf s LYS 16 N 1.50 3.68 0.38 2.72 -0.14 -1.26 -4.85 119.74 121.77 1vpf s LYS 16 Ca 0.63 1.87 0.18 0.00 -1.36 0.00 0.00 55.97 57.29 1vpf s LYS 16 Cb -0.33 -2.41 1.12 0.00 -1.68 0.00 0.00 37.83 34.53 1vpf s LYS 16 CO 0.29 -0.64 1.73 0.35 -0.76 0.00 0.00 175.35 176.31 1vpf h PHE 17 N 2.01 0.73 -0.38 3.18 3.57 -1.99 -0.75 116.94 123.30 1vpf h PHE 17 Ca -0.50 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 60.87 1vpf h PHE 17 Cb 1.25 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1vpf h PHE 17 CO 0.52 -0.01 -0.38 0.52 -2.23 0.00 0.00 178.31 176.73 1vpf h MET 18 N 0.37 0.92 -0.35 1.11 2.86 -1.98 0.27 114.93 118.13 1vpf h MET 18 Ca 0.66 -0.48 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1vpf h MET 18 Cb 1.66 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.32 1vpf h MET 18 CO -0.39 1.14 0.11 -0.44 1.06 0.00 0.00 176.91 178.39 1vpf h ASP 19 N 0.75 0.52 -0.28 1.22 3.32 -1.53 -0.53 116.42 119.90 1vpf h ASP 19 Ca 0.06 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1vpf h ASP 19 Cb 0.98 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 1vpf h ASP 19 CO 0.09 0.59 0.14 0.58 -1.72 0.00 0.00 179.24 178.92 1vpf h VAL 20 N 0.42 1.15 0.01 -1.35 2.07 -1.42 -1.59 116.25 115.54 1vpf h VAL 20 Ca 0.11 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1vpf h VAL 20 Cb 0.26 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1vpf h VAL 20 CO -0.00 0.15 -0.15 0.22 0.02 0.00 0.00 177.57 177.80 1vpf h TYR 21 N 0.32 -0.40 -0.31 1.57 3.20 -0.54 -1.68 116.97 119.13 1vpf h TYR 21 Ca 0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1vpf h TYR 21 Cb 0.11 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1vpf h TYR 21 CO -0.02 -0.23 0.15 1.96 -1.64 0.00 0.00 178.16 178.37 1vpf h GLN 22 N -0.26 0.45 0.00 1.82 7.50 -1.06 -2.62 115.11 120.94 1vpf h GLN 22 Ca 0.05 -0.07 -0.05 0.00 0.50 0.00 0.00 58.65 59.08 1vpf h GLN 22 Cb 0.32 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.77 1vpf h GLN 22 CO -0.14 0.42 -0.24 0.00 -1.50 0.00 0.00 178.83 177.37 1vpf h ARG 23 N 0.36 0.00 -0.01 1.46 3.08 -1.08 -2.92 114.38 115.27 1vpf h ARG 23 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1vpf h ARG 23 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1vpf h ARG 23 CO -0.01 0.24 -0.66 -1.13 -1.07 0.00 0.00 179.97 177.34 1vpf n SER 24 N -4.15 1.21 -4.74 7.04 3.41 -0.65 -4.94 113.62 110.80 1vpf n SER 24 Ca -0.02 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 1vpf n SER 24 Cb 0.30 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.78 3.23 -0.19 7.33 5.04 -0.99 -0.76 117.35 128.23 1vpf s TYR 25 Ca 0.14 1.17 -0.18 0.00 -2.44 0.00 0.00 57.07 55.76 1vpf s TYR 25 Cb 0.17 -3.63 -0.08 0.00 0.35 0.00 0.00 41.96 38.77 1vpf s TYR 25 CO 0.71 -2.01 0.66 0.00 -1.34 0.00 0.00 175.55 173.57 1vpf s HIS 27 N 1.44 -0.19 -0.07 0.00 -3.43 -0.75 -4.83 115.29 107.46 1vpf s HIS 27 Ca 0.42 -0.10 -0.30 0.00 -0.80 0.00 0.00 55.06 54.27 1vpf s HIS 27 Cb -0.57 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.18 1vpf s HIS 27 CO 0.30 -0.82 1.08 -2.14 -2.00 0.00 0.00 174.74 171.15 1vpf s PRO 28 N -3.34 4.42 0.02 -0.38 0.02 -1.26 -1.22 135.00 133.26 1vpf s PRO 28 Ca 0.11 1.51 0.02 0.00 0.02 0.00 0.00 61.00 62.65 1vpf s PRO 28 Cb -0.02 -3.52 -0.02 0.00 0.02 0.00 0.00 34.50 30.96 1vpf s PRO 28 CO 0.00 -0.32 -0.08 -1.50 -0.33 0.00 0.00 177.00 174.78 1vpf s ILE 29 N 1.89 0.57 0.01 2.83 2.07 -0.17 -4.88 121.20 123.52 1vpf s ILE 29 Ca 0.52 -0.73 -0.30 0.00 -1.41 0.00 0.00 60.65 58.72 1vpf s ILE 29 Cb -0.21 -0.56 -0.07 0.00 0.13 0.00 0.00 42.46 41.74 1vpf s ILE 29 CO 0.21 -0.13 1.73 -0.70 -1.91 0.00 0.00 174.94 174.14 1vpf s GLU 30 N -0.95 4.18 -0.07 3.50 2.12 -1.26 -2.05 118.70 124.16 1vpf s GLU 30 Ca -0.04 2.34 0.04 0.00 0.36 0.00 0.00 54.97 57.67 1vpf s GLU 30 Cb -0.07 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.42 1vpf s GLU 30 CO 0.00 -0.84 -0.19 0.99 -0.54 0.00 0.00 175.26 174.69 1vpf s THR 31 N 3.71 1.61 -0.49 -1.70 2.01 0.99 -4.95 115.64 116.82 1vpf s THR 31 Ca 0.77 -0.78 -0.24 0.00 0.31 0.00 0.00 61.69 61.76 1vpf s THR 31 Cb -0.38 -1.41 0.03 0.00 0.01 0.00 0.00 72.50 70.76 1vpf s THR 31 CO 0.33 0.46 0.89 -0.76 -0.69 0.00 0.00 174.62 174.85 1vpf s LEU 32 N 0.35 4.13 -0.07 4.42 1.43 -1.26 -0.83 118.68 126.85 1vpf s LEU 32 Ca -0.13 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1vpf s LEU 32 Cb -0.16 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 1vpf s LEU 32 CO 0.05 -1.08 0.03 -0.69 0.23 0.00 0.00 176.35 174.89 1vpf s VAL 33 N 3.68 4.50 0.25 -1.59 1.01 -0.52 -4.91 120.40 122.81 1vpf s VAL 33 Ca 0.32 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1vpf s VAL 33 Cb -0.12 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 1vpf s VAL 33 CO 0.22 0.55 0.99 -0.62 0.00 0.00 0.00 175.10 176.24 1vpf s ASP 34 N -1.10 7.52 0.40 3.32 -1.08 -1.26 -0.75 116.67 123.72 1vpf s ASP 34 Ca 0.16 2.05 0.10 0.00 -0.52 0.00 0.00 52.55 54.34 1vpf s ASP 34 Cb -0.12 -2.61 0.83 0.00 -1.46 0.00 0.00 42.92 39.56 1vpf s ASP 34 CO 0.05 0.05 1.95 0.40 0.52 0.00 0.00 175.17 178.14 1vpf h ILE 35 N 3.16 1.16 -0.36 4.11 2.04 -1.58 -2.42 117.51 123.61 1vpf h ILE 35 Ca -0.45 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1vpf h ILE 35 Cb 1.20 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1vpf h ILE 35 CO 0.68 0.21 0.01 -0.26 0.00 0.00 0.00 178.15 178.79 1vpf h PHE 36 N 0.23 0.58 -0.22 1.37 0.04 -1.84 0.10 116.94 117.21 1vpf h PHE 36 Ca 0.05 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1vpf h PHE 36 Cb 0.31 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1vpf h PHE 36 CO 0.00 0.56 0.07 0.37 -0.60 0.00 0.00 178.31 178.72 1vpf h GLN 37 N 0.54 0.31 0.00 1.51 4.15 -1.83 -0.52 115.11 119.27 1vpf h GLN 37 Ca 0.12 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1vpf h GLN 37 Cb 0.33 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 1vpf h GLN 37 CO 0.01 0.27 -1.47 0.39 -1.93 0.00 0.00 178.83 176.10 1vpf n GLU 38 N -4.43 0.63 -3.17 1.69 -0.58 -0.62 -4.50 120.64 109.67 1vpf n GLU 38 Ca 0.00 -0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 1vpf n GLU 38 Cb 0.13 -1.69 -0.04 0.00 -0.57 0.00 0.00 31.44 29.27 1vpf n GLU 38 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1vpf n TYR 39 N -2.50 0.80 0.18 -0.32 4.02 -0.07 -5.00 117.16 114.26 1vpf n TYR 39 Ca -0.03 -3.80 0.11 0.00 -0.01 0.00 0.00 57.90 54.18 1vpf n TYR 39 Cb 0.58 -0.42 0.60 0.00 -0.02 0.00 0.00 39.34 40.08 1vpf n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1vpf h PRO 40 N 3.32 0.00 -0.87 -0.72 0.13 -1.32 -1.90 132.00 130.64 1vpf h PRO 40 Ca 0.10 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.94 1vpf h PRO 40 Cb 0.86 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.82 1vpf h PRO 40 CO 0.56 0.00 0.37 -0.25 -0.23 0.00 0.00 178.00 178.44 1vpf n ASP 41 N -2.30 4.19 -2.36 1.44 8.00 -1.26 -4.14 116.55 120.12 1vpf n ASP 41 Ca -0.01 -3.18 -0.17 0.00 0.71 0.00 0.00 54.79 52.13 1vpf n ASP 41 Cb 0.09 -0.75 0.02 0.00 -0.02 0.00 0.00 41.12 40.47 1vpf n ASP 41 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1vpf n GLU 42 N -0.40 2.90 0.00 -1.24 4.07 -0.72 -4.87 120.64 120.39 1vpf n GLU 42 Ca 0.42 -3.98 0.10 0.00 -0.06 0.00 0.00 57.16 53.63 1vpf n GLU 42 Cb 1.36 -2.02 0.47 0.00 -0.06 0.00 0.00 31.44 31.19 1vpf n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1vpf n ILE 43 N -0.59 0.50 1.37 6.31 2.08 -1.26 -3.12 119.36 124.66 1vpf n ILE 43 Ca 0.31 0.13 0.13 0.00 0.56 0.00 0.00 62.75 63.88 1vpf n ILE 43 Cb 0.86 -0.79 0.43 0.00 -0.75 0.00 0.00 39.64 39.39 1vpf n ILE 43 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1vpf n GLU 44 N -1.38 1.62 -4.36 0.38 0.00 -1.26 -4.90 120.64 110.74 1vpf n GLU 44 Ca 0.07 -1.03 -0.31 0.00 0.00 0.00 0.00 57.16 55.90 1vpf n GLU 44 Cb 0.19 -1.48 -0.10 0.00 0.00 0.00 0.00 31.44 30.05 1vpf n GLU 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1vpf s TYR 45 N -2.09 2.76 -0.33 -1.84 2.02 -1.18 -4.50 117.35 112.18 1vpf s TYR 45 Ca 0.34 -0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.82 1vpf s TYR 45 Cb 0.21 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.30 1vpf s TYR 45 CO 0.36 0.39 0.13 0.42 -1.57 0.00 0.00 175.55 175.28 1vpf s ILE 46 N -1.11 4.13 0.30 2.71 1.01 0.10 -4.92 121.20 123.42 1vpf s ILE 46 Ca 0.19 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.84 1vpf s ILE 46 Cb -0.11 -3.24 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1vpf s ILE 46 CO 0.11 -0.08 0.73 -0.36 0.00 0.00 0.00 174.94 175.33 1vpf s PHE 47 N 1.50 3.42 -0.16 3.97 0.08 -1.26 -2.16 117.98 123.36 1vpf s PHE 47 Ca 0.01 1.23 -0.04 0.00 0.12 0.00 0.00 56.93 58.25 1vpf s PHE 47 Cb -0.18 -2.54 0.07 0.00 -0.57 0.00 0.00 43.02 39.80 1vpf s PHE 47 CO 0.04 0.14 0.18 0.21 -0.10 0.00 0.00 175.22 175.69 1vpf s LYS 48 N -2.81 0.12 0.66 0.44 2.20 -0.07 -2.53 119.74 117.74 1vpf s LYS 48 Ca 0.52 0.28 -0.15 0.00 -0.36 0.00 0.00 55.97 56.26 1vpf s LYS 48 Cb -0.11 -1.00 -0.00 0.00 -1.51 0.00 0.00 37.83 35.21 1vpf s LYS 48 CO 0.18 -0.54 1.09 -1.25 -0.36 0.00 0.00 175.35 174.48 1vpf s PRO 49 N 2.28 2.87 0.18 4.03 0.04 -1.26 -0.98 135.00 142.17 1vpf s PRO 49 Ca 0.05 1.31 0.23 0.00 0.04 0.00 0.00 61.00 62.62 1vpf s PRO 49 Cb -0.15 -1.97 0.90 0.00 0.04 0.00 0.00 34.50 33.33 1vpf s PRO 49 CO -0.09 -1.18 1.69 -1.13 0.04 0.00 0.00 177.00 176.33 1vpf n SER 50 N -2.47 0.53 -4.10 6.66 3.41 -1.05 -4.81 113.62 111.79 1vpf n SER 50 Ca 0.10 0.61 -0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1vpf n SER 50 Cb 0.52 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.64 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 -3.12 0.91 -0.28 0.00 -7.23 0.07 -4.92 120.40 105.83 1vpf s VAL 52 Ca 0.03 -1.18 -0.26 0.00 -1.81 0.00 0.00 61.98 58.76 1vpf s VAL 52 Cb 0.02 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1vpf s VAL 52 CO -0.06 -0.24 0.90 -2.16 -0.31 0.00 0.00 175.10 173.23 1vpf s PRO 53 N -1.59 4.09 0.10 4.82 0.04 -1.26 -1.44 135.00 139.75 1vpf s PRO 53 Ca -0.04 0.90 0.07 0.00 0.04 0.00 0.00 61.00 61.97 1vpf s PRO 53 Cb -0.10 -3.69 -0.03 0.00 0.04 0.00 0.00 34.50 30.72 1vpf s PRO 53 CO 0.02 -0.67 -0.17 -0.51 0.04 0.00 0.00 177.00 175.70 1vpf s LEU 54 N 3.10 2.32 -0.27 -3.56 1.43 -0.01 -4.93 118.68 116.76 1vpf s LEU 54 Ca 0.37 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 1vpf s LEU 54 Cb -0.14 -0.71 -0.00 0.00 0.03 0.00 0.00 46.19 45.37 1vpf s LEU 54 CO 0.11 -0.03 0.80 -0.04 0.23 0.00 0.00 176.35 177.42 1vpf s MET 55 N -2.05 4.08 0.05 1.70 -1.94 -1.26 -0.00 119.30 119.86 1vpf s MET 55 Ca 0.05 0.75 0.01 0.00 -1.71 0.00 0.00 55.69 54.79 1vpf s MET 55 Cb -0.09 -3.68 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 1vpf s MET 55 CO 0.04 -0.59 -0.05 1.03 -0.01 0.00 0.00 175.02 175.44 1vpf s ARG 56 N 2.88 0.52 0.13 2.03 1.81 -0.87 -1.02 118.95 124.42 1vpf s ARG 56 Ca 0.33 -0.89 -0.31 0.00 -1.72 0.00 0.00 55.73 53.14 1vpf s ARG 56 Cb -0.15 -0.04 -0.09 0.00 -0.45 0.00 0.00 34.95 34.22 1vpf s ARG 56 CO 0.10 -0.03 1.48 0.00 -0.68 0.00 0.00 175.30 176.17 1vpf s GLY 58 N 1.24 1.01 0.00 0.00 0.00 -0.35 -4.91 107.32 104.31 1vpf s GLY 58 Ca 0.67 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1vpf s GLY 58 CO 0.31 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 173.13 1vpf n GLY 59 N -0.43 -1.60 3.23 0.20 0.00 -1.26 -1.81 105.19 103.52 1vpf n GLY 59 Ca -0.00 -2.06 -0.17 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.79 6.71 0.00 0.00 0.01 -1.26 -4.80 114.94 114.81 1vpf s ASN 62 Ca 0.13 -2.49 0.00 0.00 -0.71 0.00 0.00 52.86 49.79 1vpf s ASN 62 Cb -0.12 -2.26 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1vpf s ASN 62 CO 0.03 -0.71 0.00 -0.67 -1.51 0.00 0.00 177.10 174.23 1vpf n ASP 63 N 4.70 0.00 0.19 -1.22 -0.08 -1.26 -5.01 116.55 113.87 1vpf n ASP 63 Ca 0.16 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.50 1vpf n ASP 63 Cb 0.47 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.26 1vpf n ASP 63 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1vpf h GLU 64 N 0.00 0.00 -0.07 -0.67 4.22 -2.03 -3.13 114.58 112.90 1vpf h GLU 64 Ca 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.28 1vpf h GLU 64 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1vpf h GLU 64 CO 0.00 0.36 -0.67 0.78 -2.18 0.00 0.00 179.01 177.30 1vpf h GLY 65 N 2.23 0.32 -2.92 1.92 0.00 -1.96 -3.46 103.07 99.20 1vpf h GLY 65 Ca -0.00 -0.43 -0.49 0.00 0.00 0.00 0.00 47.33 46.41 1vpf h GLY 65 CO 0.05 0.38 0.16 1.08 0.00 0.00 0.00 176.54 178.21 1vpf s LEU 66 N -7.88 4.12 0.01 3.11 1.43 -1.18 -1.37 118.68 116.93 1vpf s LEU 66 Ca -0.04 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1vpf s LEU 66 Cb 0.11 -4.05 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 1vpf s LEU 66 CO 0.81 -0.17 -0.07 -1.83 0.23 0.00 0.00 176.35 175.33 1vpf s GLU 67 N -2.72 0.50 -0.50 1.70 -1.05 0.77 -4.77 118.70 112.62 1vpf s GLU 67 Ca 0.53 -0.39 -0.29 0.00 -0.15 0.00 0.00 54.97 54.67 1vpf s GLU 67 Cb -0.12 -0.42 0.03 0.00 -0.44 0.00 0.00 34.13 33.18 1vpf s GLU 67 CO 0.18 0.10 1.19 0.00 0.95 0.00 0.00 175.26 177.68 1vpf s VAL 69 N 4.71 1.34 0.46 0.00 0.11 -0.51 -4.86 120.40 121.65 1vpf s VAL 69 Ca 0.48 -1.74 -0.21 0.00 -2.93 0.00 0.00 61.98 57.58 1vpf s VAL 69 Cb -0.08 -1.55 -0.08 0.00 -1.53 0.00 0.00 36.38 33.13 1vpf s VAL 69 CO 0.31 -0.43 1.05 -2.16 -3.33 0.00 0.00 175.10 170.54 1vpf s PRO 70 N -2.72 3.88 0.00 1.54 0.04 -1.26 -0.52 135.00 135.95 1vpf s PRO 70 Ca 0.09 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1vpf s PRO 70 Cb -0.05 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1vpf s PRO 70 CO 0.03 -0.38 0.53 0.25 0.04 0.00 0.00 177.00 177.48 1vpf n THR 71 N -0.69 0.23 -3.64 1.26 -2.24 0.55 -4.83 114.28 104.91 1vpf n THR 71 Ca 0.08 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 61.30 1vpf n THR 71 Cb 0.51 1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.23 0.67 0.26 -0.78 2.12 -1.22 -4.93 118.70 114.60 1vpf s GLU 72 Ca 0.00 1.15 0.04 0.00 0.36 0.00 0.00 54.97 56.52 1vpf s GLU 72 Cb 0.00 0.13 -0.06 0.00 0.26 0.00 0.00 34.13 34.47 1vpf s GLU 72 CO 0.00 -0.14 0.01 -1.21 -0.54 0.00 0.00 175.26 173.38 1vpf s GLU 73 N 1.60 1.46 0.27 4.30 2.02 -1.26 -0.35 118.70 126.73 1vpf s GLU 73 Ca -0.10 -1.76 -0.14 0.00 0.02 0.00 0.00 54.97 52.99 1vpf s GLU 73 Cb -0.05 -0.72 0.00 0.00 0.10 0.00 0.00 34.13 33.46 1vpf s GLU 73 CO -0.19 -0.12 0.55 -1.54 0.02 0.00 0.00 175.26 173.97 1vpf s SER 74 N -3.37 -0.04 0.02 -0.19 1.04 -0.66 -4.85 113.70 105.64 1vpf s SER 74 Ca 0.32 -0.92 0.07 0.00 0.48 0.00 0.00 55.95 55.89 1vpf s SER 74 Cb 0.06 0.64 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1vpf s SER 74 CO 0.11 -1.23 -0.19 0.20 0.98 0.00 0.00 173.24 173.12 1vpf s ASN 75 N -3.02 3.72 -0.06 7.02 -0.87 -1.26 -0.22 114.94 120.25 1vpf s ASN 75 Ca 0.20 -0.41 0.05 0.00 -1.57 0.00 0.00 52.86 51.14 1vpf s ASN 75 Cb -0.02 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.25 40.61 1vpf s ASN 75 CO 0.10 0.28 -0.22 -0.51 -2.57 0.00 0.00 177.10 174.18 1vpf s ILE 76 N -0.86 1.80 -0.14 0.60 1.10 -0.32 -4.93 121.20 118.45 1vpf s ILE 76 Ca 0.14 -0.91 -0.02 0.00 -0.51 0.00 0.00 60.65 59.34 1vpf s ILE 76 Cb -0.10 -1.54 -0.02 0.00 0.15 0.00 0.00 42.46 40.94 1vpf s ILE 76 CO 0.04 0.50 -0.07 -0.89 -2.11 0.00 0.00 174.94 172.41 1vpf s THR 77 N 0.03 3.63 0.07 4.00 2.01 -1.26 -0.49 115.64 123.62 1vpf s THR 77 Ca -0.07 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1vpf s THR 77 Cb -0.14 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1vpf s THR 77 CO 0.04 0.51 -0.12 -0.04 -0.69 0.00 0.00 174.62 174.31 1vpf s MET 78 N 0.29 0.77 -0.48 4.92 -1.94 0.09 -4.95 119.30 118.00 1vpf s MET 78 Ca -0.05 -0.94 -0.26 0.00 -1.71 0.00 0.00 55.69 52.72 1vpf s MET 78 Cb -0.15 -0.69 0.03 0.00 2.01 0.00 0.00 34.83 36.04 1vpf s MET 78 CO 0.04 0.14 0.97 -0.65 -0.01 0.00 0.00 175.02 175.52 1vpf s GLN 79 N -1.85 3.54 -0.04 2.03 -0.21 -1.26 -1.36 119.66 120.52 1vpf s GLN 79 Ca -0.03 0.20 0.07 0.00 0.02 0.00 0.00 55.36 55.62 1vpf s GLN 79 Cb -0.09 -3.94 -0.02 0.00 1.00 0.00 0.00 33.01 29.96 1vpf s GLN 79 CO 0.02 -1.29 -0.25 0.42 -2.12 0.00 0.00 175.29 172.07 1vpf s ILE 80 N 3.95 2.14 0.17 1.08 -1.09 0.06 -4.89 121.20 122.60 1vpf s ILE 80 Ca 0.39 -1.06 -0.13 0.00 -2.23 0.00 0.00 60.65 57.62 1vpf s ILE 80 Cb -0.10 -1.76 -0.07 0.00 -1.58 0.00 0.00 42.46 38.96 1vpf s ILE 80 CO 0.27 0.58 0.54 -0.04 -1.23 0.00 0.00 174.94 175.05 1vpf s MET 81 N -0.40 3.91 -0.03 2.79 -1.94 -0.15 -1.58 119.30 121.90 1vpf s MET 81 Ca 0.04 0.40 -0.02 0.00 -1.71 0.00 0.00 55.69 54.40 1vpf s MET 81 Cb -0.12 -2.85 0.02 0.00 2.01 0.00 0.00 34.83 33.89 1vpf s MET 81 CO 0.01 0.44 0.07 -0.98 -0.01 0.00 0.00 175.02 174.55 1vpf s ARG 82 N -2.21 0.06 0.01 2.03 1.70 -0.18 -0.89 118.95 119.47 1vpf s ARG 82 Ca 0.40 0.16 0.06 0.00 -0.47 0.00 0.00 55.73 55.88 1vpf s ARG 82 Cb -0.14 -0.05 -0.02 0.00 -0.57 0.00 0.00 34.95 34.17 1vpf s ARG 82 CO 0.20 -0.07 -0.17 0.42 -1.08 0.00 0.00 175.30 174.59 1vpf s ILE 83 N 0.43 1.39 -0.23 4.99 1.09 -0.92 -1.41 121.20 126.54 1vpf s ILE 83 Ca -0.03 -0.91 -0.14 0.00 -1.10 0.00 0.00 60.65 58.47 1vpf s ILE 83 Cb -0.05 -1.19 -0.04 0.00 -1.06 0.00 0.00 42.46 40.12 1vpf s ILE 83 CO -0.02 0.26 0.34 -0.54 -0.10 0.00 0.00 174.94 174.88 1vpf s LYS 84 N -0.75 4.10 -0.41 2.79 1.02 -1.26 -0.72 119.74 124.50 1vpf s LYS 84 Ca 0.06 0.04 -0.43 0.00 0.02 0.00 0.00 55.97 55.66 1vpf s LYS 84 Cb -0.07 -3.58 -0.18 0.00 -0.52 0.00 0.00 37.83 33.48 1vpf s LYS 84 CO 0.00 -0.10 1.80 -0.35 -0.92 0.00 0.00 175.35 175.78 1vpf n PRO 85 N 4.73 0.48 -0.03 -1.68 -0.04 -1.26 0.46 135.00 137.66 1vpf n PRO 85 Ca -0.10 0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1vpf n PRO 85 Cb 0.51 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 5.62 0.00 -0.31 0.54 8.25 -1.26 -4.89 115.22 123.18 1vpf n HIS 86 Ca 0.35 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.89 1vpf n HIS 86 Cb 0.03 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.46 1vpf n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1vpf n GLN 87 N -2.00 3.31 0.00 -0.41 6.02 0.17 -5.07 117.38 119.41 1vpf n GLN 87 Ca 0.00 -2.50 0.00 0.00 -0.01 0.00 0.00 57.00 54.49 1vpf n GLN 87 Cb 0.00 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1vpf n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vpf n GLY 88 N 1.10 0.81 3.76 1.08 0.00 -1.25 -4.76 105.19 105.93 1vpf n GLY 88 Ca 0.23 -1.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1vpf n GLY 88 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vpf s GLN 89 N -4.07 4.55 0.08 1.61 2.00 -1.26 -3.97 119.66 118.59 1vpf s GLN 89 Ca 0.00 1.15 0.04 0.00 -2.00 0.00 0.00 55.36 54.55 1vpf s GLN 89 Cb 0.00 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.47 1vpf s GLN 89 CO 0.00 0.42 -0.12 -1.01 -0.50 0.00 0.00 175.29 174.08 1vpf s HIS 90 N -0.59 1.12 -0.06 1.67 3.76 -0.50 -5.01 115.29 115.69 1vpf s HIS 90 Ca 0.38 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 1vpf s HIS 90 Cb -0.22 -0.63 0.01 0.00 1.11 0.00 0.00 32.58 32.85 1vpf s HIS 90 CO 0.25 0.03 -0.14 -1.50 -0.85 0.00 0.00 174.74 172.53 1vpf s ILE 91 N -1.59 1.26 0.11 0.60 2.07 -1.26 -1.01 121.20 121.39 1vpf s ILE 91 Ca -0.01 -0.58 -0.02 0.00 -1.41 0.00 0.00 60.65 58.63 1vpf s ILE 91 Cb -0.08 -1.12 0.01 0.00 0.13 0.00 0.00 42.46 41.40 1vpf s ILE 91 CO 0.02 0.38 0.18 0.61 -1.91 0.00 0.00 174.94 174.22 1vpf n GLY 92 N 3.51 2.45 3.75 1.50 0.00 -0.61 -4.99 105.19 110.80 1vpf n GLY 92 Ca -0.20 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.18 3.25 -0.02 1.61 2.02 -1.26 -0.76 118.70 121.35 1vpf s GLU 93 Ca 0.08 -0.30 0.02 0.00 0.02 0.00 0.00 54.97 54.78 1vpf s GLU 93 Cb -0.01 -2.98 0.01 0.00 0.10 0.00 0.00 34.13 31.25 1vpf s GLU 93 CO 0.06 0.69 -0.06 -1.64 0.02 0.00 0.00 175.26 174.32 1vpf s MET 94 N -0.81 0.70 -0.03 1.61 -1.94 -0.46 -4.93 119.30 113.43 1vpf s MET 94 Ca 0.13 -0.19 -0.02 0.00 -1.71 0.00 0.00 55.69 53.90 1vpf s MET 94 Cb -0.12 -0.69 -0.04 0.00 2.01 0.00 0.00 34.83 36.00 1vpf s MET 94 CO 0.03 0.05 0.08 -1.12 -0.01 0.00 0.00 175.02 174.05 1vpf s SER 95 N 0.33 5.75 0.09 3.03 0.01 -1.26 -0.73 113.70 120.92 1vpf s SER 95 Ca -0.04 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.47 1vpf s SER 95 Cb -0.08 -1.69 -0.03 0.00 0.21 0.00 0.00 66.02 64.42 1vpf s SER 95 CO 0.00 0.31 -0.12 -0.36 0.41 0.00 0.00 173.24 173.47 1vpf s PHE 96 N -1.13 1.17 -0.09 2.43 0.08 0.36 -4.96 117.98 115.84 1vpf s PHE 96 Ca 0.20 -0.54 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 1vpf s PHE 96 Cb -0.12 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.66 1vpf s PHE 96 CO 0.11 0.05 0.86 -1.17 -0.10 0.00 0.00 175.22 174.97 1vpf s LEU 97 N -2.09 4.27 0.18 -0.37 2.96 -1.26 -1.17 118.68 121.20 1vpf s LEU 97 Ca 0.02 1.35 0.09 0.00 -0.22 0.00 0.00 54.13 55.37 1vpf s LEU 97 Cb -0.07 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1vpf s LEU 97 CO 0.02 -0.30 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.54 1vpf s GLN 98 N 1.48 2.02 -0.24 1.98 -0.21 0.70 -4.79 119.66 120.59 1vpf s GLN 98 Ca 0.43 -1.29 -0.04 0.00 0.02 0.00 0.00 55.36 54.48 1vpf s GLN 98 Cb -0.18 -2.13 0.00 0.00 1.00 0.00 0.00 33.01 31.70 1vpf s GLN 98 CO 0.19 0.43 -0.02 -1.01 -2.12 0.00 0.00 175.29 172.75 1vpf s HIS 99 N -1.71 3.02 -0.47 0.91 3.76 -0.19 -1.65 115.29 118.95 1vpf s HIS 99 Ca 0.25 -1.08 0.23 0.00 -0.15 0.00 0.00 55.06 54.30 1vpf s HIS 99 Cb -0.09 -2.12 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 1vpf s HIS 99 CO 0.15 -0.59 0.93 0.09 -0.85 0.00 0.00 174.74 174.47 1vpf n ASN 100 N 4.78 0.56 -3.70 1.40 4.13 0.53 -4.52 115.26 118.44 1vpf n ASN 100 Ca -0.17 -0.13 -0.12 0.00 1.68 0.00 0.00 54.58 55.84 1vpf n ASN 100 Cb 0.49 0.96 -0.09 0.00 -1.54 0.00 0.00 39.78 39.60 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 -3.27 0.55 0.24 3.52 2.20 -1.17 -4.91 119.74 116.90 1vpf s LYS 101 Ca 0.01 0.74 0.09 0.00 -0.36 0.00 0.00 55.97 56.45 1vpf s LYS 101 Cb 0.14 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.62 1vpf s LYS 101 CO 0.82 -0.09 -0.15 0.00 -0.36 0.00 0.00 175.35 175.57 1vpf s GLU 103 N -3.61 0.78 -0.49 0.00 2.12 0.32 -4.83 118.70 112.99 1vpf s GLU 103 Ca 0.26 0.67 -0.29 0.00 0.36 0.00 0.00 54.97 55.97 1vpf s GLU 103 Cb -0.01 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.78 1vpf s GLU 103 CO 0.10 -0.14 1.14 0.00 -0.54 0.00 0.00 175.26 175.82 1vpf s ARG 105 N 4.51 2.35 0.60 0.00 1.81 -0.30 -4.85 118.95 123.07 1vpf s ARG 105 Ca 0.47 -1.34 -0.17 0.00 -1.72 0.00 0.00 55.73 52.97 1vpf s ARG 105 Cb -0.07 -2.22 -0.03 0.00 -0.45 0.00 0.00 34.95 32.18 1vpf s ARG 105 CO 0.31 0.38 1.09 -2.14 -0.68 0.00 0.00 175.30 174.27 1vpf s PRO 106 N -3.55 3.15 0.00 3.54 0.02 -1.26 -0.17 135.00 136.73 1vpf s PRO 106 Ca 0.31 1.38 0.31 0.00 0.02 0.00 0.00 61.00 63.02 1vpf s PRO 106 Cb -0.07 -2.00 1.88 0.00 0.02 0.00 0.00 34.50 34.33 1vpf s PRO 106 CO 0.20 -0.97 2.20 1.63 -0.33 0.00 0.00 177.00 179.73