#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 3.77 0.53 2.52 1.01 -1.26 -4.98 120.40 121.99 1vpf s VAL 15 Ca 0.00 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.91 1vpf s VAL 15 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1vpf s VAL 15 CO 0.00 -0.00 1.26 -0.54 0.00 0.00 0.00 175.10 175.82 1vpf s LYS 16 N 2.40 3.29 0.28 2.72 -0.14 -1.26 -4.82 119.74 122.21 1vpf s LYS 16 Ca 0.63 2.00 0.01 0.00 -1.36 0.00 0.00 55.97 57.25 1vpf s LYS 16 Cb -0.31 -2.23 0.67 0.00 -1.68 0.00 0.00 37.83 34.29 1vpf s LYS 16 CO 0.26 -0.99 1.64 0.35 -0.76 0.00 0.00 175.35 175.85 1vpf h PHE 17 N 1.52 0.28 -0.14 3.18 3.57 -1.99 -0.60 116.94 122.75 1vpf h PHE 17 Ca -0.50 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 60.97 1vpf h PHE 17 Cb 1.28 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 1vpf h PHE 17 CO 0.48 -0.22 -0.26 0.52 -2.23 0.00 0.00 178.31 176.60 1vpf h MET 18 N 0.18 0.26 0.02 1.11 2.86 -1.98 0.71 114.93 118.09 1vpf h MET 18 Ca 0.54 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1vpf h MET 18 Cb 1.07 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.71 1vpf h MET 18 CO -0.67 0.51 -0.01 -0.44 1.06 0.00 0.00 176.91 177.36 1vpf h ASP 19 N 0.23 -0.02 -0.70 1.22 3.32 -1.48 -1.73 116.42 117.25 1vpf h ASP 19 Ca 0.04 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.69 1vpf h ASP 19 Cb 0.59 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1vpf h ASP 19 CO 0.04 0.40 0.46 0.58 -1.72 0.00 0.00 179.24 179.00 1vpf h VAL 20 N -0.45 1.14 0.01 -1.35 2.07 -1.34 -1.11 116.25 115.22 1vpf h VAL 20 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1vpf h VAL 20 Cb 0.43 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1vpf h VAL 20 CO 0.00 0.17 -0.01 0.22 0.02 0.00 0.00 177.57 177.98 1vpf h TYR 21 N 0.91 -0.01 -0.19 1.57 3.20 -0.78 -1.74 116.97 119.94 1vpf h TYR 21 Ca 0.27 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1vpf h TYR 21 Cb -0.05 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1vpf h TYR 21 CO -0.03 -0.01 0.05 1.96 -1.64 0.00 0.00 178.16 178.49 1vpf h GLN 22 N -0.01 0.30 -0.38 1.82 7.50 -1.13 -2.68 115.11 120.51 1vpf h GLN 22 Ca 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 58.65 59.04 1vpf h GLN 22 Cb 0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 27.48 1vpf h GLN 22 CO -0.00 0.43 0.08 0.00 -1.50 0.00 0.00 178.83 177.84 1vpf h ARG 23 N 0.11 0.56 0.00 1.46 3.08 -1.15 -3.05 114.38 115.39 1vpf h ARG 23 Ca 0.06 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vpf h ARG 23 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1vpf h ARG 23 CO 0.00 0.53 -0.83 -1.13 -1.07 0.00 0.00 179.97 177.46 1vpf n SER 24 N -4.33 0.67 -4.76 7.04 3.41 -0.66 -4.94 113.62 110.05 1vpf n SER 24 Ca 0.02 0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.24 1vpf n SER 24 Cb 0.20 0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 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 -3.20 2.82 -0.21 7.33 5.04 -1.01 -1.38 117.35 126.74 1vpf s TYR 25 Ca 0.04 1.08 -0.20 0.00 -2.44 0.00 0.00 57.07 55.55 1vpf s TYR 25 Cb 0.13 -3.92 -0.08 0.00 0.35 0.00 0.00 41.96 38.44 1vpf s TYR 25 CO 0.76 -2.86 0.74 0.00 -1.34 0.00 0.00 175.55 172.85 1vpf s HIS 27 N 1.64 -0.21 0.08 0.00 -3.43 -0.76 -4.85 115.29 107.77 1vpf s HIS 27 Ca 0.46 0.01 -0.30 0.00 -0.80 0.00 0.00 55.06 54.43 1vpf s HIS 27 Cb -0.63 0.58 -0.06 0.00 -1.43 0.00 0.00 32.58 31.04 1vpf s HIS 27 CO 0.33 -0.61 1.17 -2.14 -2.00 0.00 0.00 174.74 171.49 1vpf s PRO 28 N -3.07 4.46 0.01 -0.38 0.02 -1.26 -1.52 135.00 133.26 1vpf s PRO 28 Ca 0.09 1.75 0.01 0.00 0.02 0.00 0.00 61.00 62.88 1vpf s PRO 28 Cb -0.01 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.17 1vpf s PRO 28 CO -0.03 -0.19 -0.04 -1.50 -0.33 0.00 0.00 177.00 174.90 1vpf s ILE 29 N 0.80 0.32 0.13 2.83 2.07 -0.26 -4.89 121.20 122.18 1vpf s ILE 29 Ca 0.57 -0.37 -0.31 0.00 -1.41 0.00 0.00 60.65 59.13 1vpf s ILE 29 Cb -0.29 -0.31 -0.10 0.00 0.13 0.00 0.00 42.46 41.89 1vpf s ILE 29 CO 0.30 -0.04 1.69 -0.70 -1.91 0.00 0.00 174.94 174.28 1vpf s GLU 30 N -0.44 4.18 -0.04 3.50 2.12 -1.26 -2.33 118.70 124.42 1vpf s GLU 30 Ca -0.02 2.44 0.04 0.00 0.36 0.00 0.00 54.97 57.80 1vpf s GLU 30 Cb -0.03 -3.41 -0.00 0.00 0.26 0.00 0.00 34.13 30.94 1vpf s GLU 30 CO -0.00 -0.73 -0.17 0.99 -0.54 0.00 0.00 175.26 174.81 1vpf s THR 31 N 2.09 1.39 -0.55 -1.70 2.01 0.17 -4.94 115.64 114.10 1vpf s THR 31 Ca 0.75 -0.70 -0.22 0.00 0.31 0.00 0.00 61.69 61.82 1vpf s THR 31 Cb -0.44 -1.19 0.05 0.00 0.01 0.00 0.00 72.50 70.93 1vpf s THR 31 CO 0.33 0.40 0.85 -0.76 -0.69 0.00 0.00 174.62 174.76 1vpf s LEU 32 N 0.01 4.39 -0.09 4.42 1.43 -1.26 -0.39 118.68 127.18 1vpf s LEU 32 Ca -0.03 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1vpf s LEU 32 Cb -0.11 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1vpf s LEU 32 CO 0.02 -1.16 0.10 -0.69 0.23 0.00 0.00 176.35 174.85 1vpf s VAL 33 N 3.58 5.09 0.21 -1.59 1.01 -0.11 -4.90 120.40 123.70 1vpf s VAL 33 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.93 1vpf s VAL 33 Cb -0.15 -3.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 1vpf s VAL 33 CO 0.16 0.58 1.01 -0.62 0.00 0.00 0.00 175.10 176.23 1vpf s ASP 34 N -1.10 7.46 0.42 3.32 2.15 -1.26 -0.64 116.67 127.02 1vpf s ASP 34 Ca 0.16 2.02 0.12 0.00 0.43 0.00 0.00 52.55 55.28 1vpf s ASP 34 Cb -0.12 -2.61 0.91 0.00 -0.30 0.00 0.00 42.92 40.80 1vpf s ASP 34 CO 0.05 -0.03 1.97 0.40 -0.17 0.00 0.00 175.17 177.40 1vpf h ILE 35 N 3.42 1.14 -0.56 4.11 2.04 -1.35 -2.80 117.51 123.50 1vpf h ILE 35 Ca -0.45 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1vpf h ILE 35 Cb 1.21 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1vpf h ILE 35 CO 0.69 0.19 0.23 -0.26 0.00 0.00 0.00 178.15 179.01 1vpf h PHE 36 N 0.14 0.85 -0.34 1.37 0.04 -1.80 -0.10 116.94 117.11 1vpf h PHE 36 Ca 0.03 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1vpf h PHE 36 Cb 0.29 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 1vpf h PHE 36 CO 0.00 0.69 0.22 -0.56 -0.60 0.00 0.00 178.31 178.06 1vpf h GLN 37 N 0.77 0.45 0.10 1.51 3.07 -1.90 -2.53 115.11 116.58 1vpf h GLN 37 Ca 0.19 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.72 1vpf h GLN 37 Cb 0.19 -0.10 0.02 0.00 0.08 0.00 0.00 27.48 27.67 1vpf h GLN 37 CO -0.02 0.30 -0.77 0.93 0.09 0.00 0.00 178.83 179.37 1vpf h GLU 38 N 0.46 0.34 -3.22 0.06 4.39 -1.42 -3.38 114.58 111.81 1vpf h GLU 38 Ca 0.12 -0.50 -0.63 0.00 0.34 0.00 0.00 59.36 58.69 1vpf h GLU 38 Cb -0.05 0.18 -0.41 0.00 -0.10 0.00 0.00 28.75 28.36 1vpf h GLU 38 CO -0.03 1.21 -0.60 0.71 -1.16 0.00 0.00 179.01 179.14 1vpf s TYR 39 N -2.69 3.35 0.14 4.33 1.51 -0.09 -4.98 117.35 118.91 1vpf s TYR 39 Ca -0.13 -3.25 0.22 0.00 -1.01 0.00 0.00 57.07 52.90 1vpf s TYR 39 Cb 0.02 -2.74 0.80 0.00 -0.11 0.00 0.00 41.96 39.93 1vpf s TYR 39 CO 0.83 -0.64 1.78 -1.00 -1.11 0.00 0.00 175.55 175.41 1vpf h PRO 40 N 5.94 0.00 -1.19 -1.71 0.13 -1.65 -3.26 132.00 130.26 1vpf h PRO 40 Ca 0.04 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.91 1vpf h PRO 40 Cb 0.82 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.82 1vpf h PRO 40 CO 0.70 0.29 0.33 -0.25 -0.23 0.00 0.00 178.00 178.83 1vpf n ASP 41 N -3.44 4.37 -1.04 1.44 8.00 -1.26 -3.69 116.55 120.93 1vpf n ASP 41 Ca 0.00 -2.83 0.02 0.00 0.71 0.00 0.00 54.79 52.69 1vpf n ASP 41 Cb 0.47 -0.79 0.01 0.00 -0.02 0.00 0.00 41.12 40.78 1vpf n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1vpf n GLU 42 N -0.02 0.00 0.00 -1.24 -0.58 -1.23 -4.85 120.64 112.71 1vpf n GLU 42 Ca 0.27 -1.50 0.06 0.00 -0.42 0.00 0.00 57.16 55.57 1vpf n GLU 42 Cb 0.88 -0.19 0.27 0.00 -0.57 0.00 0.00 31.44 31.83 1vpf n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1vpf n ILE 43 N 0.26 0.94 0.24 -3.67 2.08 -1.24 -2.64 119.36 115.33 1vpf n ILE 43 Ca 0.02 0.24 -0.08 0.00 0.56 0.00 0.00 62.75 63.49 1vpf n ILE 43 Cb 0.93 -1.04 0.07 0.00 -0.75 0.00 0.00 39.64 38.85 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 -1.39 1.49 -3.94 0.38 0.00 -1.26 -4.81 120.64 111.10 1vpf n GLU 44 Ca 0.04 -1.04 -0.09 0.00 0.00 0.00 0.00 57.16 56.07 1vpf n GLU 44 Cb 0.11 -1.43 -0.07 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 -1.16 0.36 -0.19 -1.84 2.02 -1.08 -4.80 117.35 110.66 1vpf s TYR 45 Ca 0.20 -0.73 -0.00 0.00 -0.37 0.00 0.00 57.07 56.16 1vpf s TYR 45 Cb 0.16 -0.07 0.05 0.00 -0.40 0.00 0.00 41.96 41.70 1vpf s TYR 45 CO 0.04 -0.68 -0.05 -1.50 -1.57 0.00 0.00 175.55 171.79 1vpf s ILE 46 N -3.95 1.23 0.30 2.71 2.07 -1.21 -4.96 121.20 117.39 1vpf s ILE 46 Ca 0.15 -0.80 -0.12 0.00 -1.41 0.00 0.00 60.65 58.47 1vpf s ILE 46 Cb 0.04 -1.44 -0.08 0.00 0.13 0.00 0.00 42.46 41.11 1vpf s ILE 46 CO -0.02 0.06 0.66 -0.36 -1.91 0.00 0.00 174.94 173.37 1vpf s PHE 47 N 1.57 3.41 -0.18 3.50 0.08 -1.26 -2.42 117.98 122.68 1vpf s PHE 47 Ca -0.01 1.04 -0.04 0.00 0.12 0.00 0.00 56.93 58.03 1vpf s PHE 47 Cb -0.16 -2.40 0.09 0.00 -0.57 0.00 0.00 43.02 39.98 1vpf s PHE 47 CO -0.07 0.14 0.28 0.21 -0.10 0.00 0.00 175.22 175.67 1vpf s LYS 48 N -3.05 0.21 0.75 0.44 2.20 0.52 -2.83 119.74 117.98 1vpf s LYS 48 Ca 0.51 0.56 -0.11 0.00 -0.36 0.00 0.00 55.97 56.56 1vpf s LYS 48 Cb -0.11 -0.46 0.05 0.00 -1.51 0.00 0.00 37.83 35.81 1vpf s LYS 48 CO 0.21 -0.46 1.09 -1.25 -0.36 0.00 0.00 175.35 174.58 1vpf s PRO 49 N 2.42 2.34 0.43 4.03 0.04 -1.26 -0.89 135.00 142.11 1vpf s PRO 49 Ca 0.05 1.21 0.29 0.00 0.04 0.00 0.00 61.00 62.58 1vpf s PRO 49 Cb -0.14 -1.90 1.02 0.00 0.04 0.00 0.00 34.50 33.52 1vpf s PRO 49 CO -0.11 -1.58 1.83 0.66 0.04 0.00 0.00 177.00 177.84 1vpf h SER 50 N -0.94 0.00 -4.55 6.66 4.64 -1.91 -3.46 113.55 113.98 1vpf h SER 50 Ca -0.44 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.64 1vpf h SER 50 Cb 1.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.17 1vpf h SER 50 CO 0.52 0.00 -0.70 0.00 -0.87 0.00 0.00 176.83 175.78 1vpf s VAL 52 N -3.40 1.11 -0.33 0.00 -7.23 0.19 -4.90 120.40 105.82 1vpf s VAL 52 Ca 0.10 -1.38 -0.24 0.00 -1.81 0.00 0.00 61.98 58.66 1vpf s VAL 52 Cb 0.04 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.85 1vpf s VAL 52 CO -0.04 -0.28 0.84 -2.16 -0.31 0.00 0.00 175.10 173.15 1vpf s PRO 53 N -1.93 3.89 0.11 4.82 0.04 -1.26 -0.93 135.00 139.74 1vpf s PRO 53 Ca -0.00 0.55 0.09 0.00 0.04 0.00 0.00 61.00 61.67 1vpf s PRO 53 Cb -0.09 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1vpf s PRO 53 CO 0.02 -0.80 -0.21 -0.51 0.04 0.00 0.00 177.00 175.54 1vpf s LEU 54 N 3.15 2.32 -0.34 -3.56 1.43 0.47 -4.91 118.68 117.24 1vpf s LEU 54 Ca 0.34 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.48 1vpf s LEU 54 Cb -0.13 -0.91 0.01 0.00 0.03 0.00 0.00 46.19 45.19 1vpf s LEU 54 CO 0.15 0.06 0.83 -0.04 0.23 0.00 0.00 176.35 177.58 1vpf s MET 55 N -2.05 3.87 0.04 1.70 -1.94 -1.26 0.42 119.30 120.09 1vpf s MET 55 Ca 0.08 0.52 0.01 0.00 -1.71 0.00 0.00 55.69 54.59 1vpf s MET 55 Cb -0.09 -3.77 -0.03 0.00 2.01 0.00 0.00 34.83 32.95 1vpf s MET 55 CO 0.05 -0.81 -0.05 1.03 -0.01 0.00 0.00 175.02 175.23 1vpf s ARG 56 N 3.15 0.51 0.24 2.03 1.81 -0.99 -0.29 118.95 125.42 1vpf s ARG 56 Ca 0.34 -0.87 -0.30 0.00 -1.72 0.00 0.00 55.73 53.18 1vpf s ARG 56 Cb -0.13 -0.06 -0.10 0.00 -0.45 0.00 0.00 34.95 34.20 1vpf s ARG 56 CO 0.15 -0.02 1.49 0.00 -0.68 0.00 0.00 175.30 176.25 1vpf s GLY 58 N 0.53 0.63 0.00 0.00 0.00 -0.57 -4.88 107.32 103.02 1vpf s GLY 58 Ca 0.62 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1vpf s GLY 58 CO 0.42 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.58 1vpf n GLY 59 N -0.48 -1.69 3.20 0.20 0.00 -1.26 -1.83 105.19 103.33 1vpf n GLY 59 Ca -0.03 -2.05 -0.16 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 n ASN 62 N 1.39 5.70 0.00 0.00 3.02 -1.26 -4.78 115.26 119.33 1vpf n ASN 62 Ca -0.14 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.25 1vpf n ASN 62 Cb 0.53 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1vpf n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1vpf n ASP 63 N 2.25 0.00 -0.12 6.41 -0.08 -1.26 -5.04 116.55 118.70 1vpf n ASP 63 Ca 0.25 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.52 1vpf n ASP 63 Cb 0.37 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.07 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 0.80 -0.08 -0.67 4.22 -2.04 -2.76 114.58 114.06 1vpf h GLU 64 Ca 0.00 -0.12 -0.07 0.00 0.08 0.00 0.00 59.36 59.25 1vpf h GLU 64 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1vpf h GLU 64 CO 0.00 0.66 -0.29 0.78 -2.18 0.00 0.00 179.01 177.99 1vpf h GLY 65 N 0.92 0.15 -2.55 1.92 0.00 -1.97 -3.44 103.07 98.11 1vpf h GLY 65 Ca 0.19 -0.11 -0.47 0.00 0.00 0.00 0.00 47.33 46.94 1vpf h GLY 65 CO -0.02 0.10 0.20 1.08 0.00 0.00 0.00 176.54 177.90 1vpf s LEU 66 N -8.43 4.01 0.02 3.11 1.43 -1.04 -2.99 118.68 114.79 1vpf s LEU 66 Ca -0.04 1.45 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 1vpf s LEU 66 Cb 0.15 -4.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 1vpf s LEU 66 CO 0.74 -0.27 -0.07 -1.83 0.23 0.00 0.00 176.35 175.14 1vpf s GLU 67 N -3.07 0.52 -0.38 1.70 -1.05 0.19 -4.80 118.70 111.82 1vpf s GLU 67 Ca 0.57 -0.52 -0.26 0.00 -0.15 0.00 0.00 54.97 54.61 1vpf s GLU 67 Cb -0.10 -0.40 0.02 0.00 -0.44 0.00 0.00 34.13 33.21 1vpf s GLU 67 CO 0.16 0.09 0.96 0.00 0.95 0.00 0.00 175.26 177.42 1vpf s VAL 69 N 3.61 0.95 0.29 0.00 0.11 -0.55 -4.87 120.40 119.93 1vpf s VAL 69 Ca 0.40 -1.45 -0.29 0.00 -2.93 0.00 0.00 61.98 57.71 1vpf s VAL 69 Cb -0.11 -1.16 -0.10 0.00 -1.53 0.00 0.00 36.38 33.48 1vpf s VAL 69 CO 0.20 -0.42 1.12 -2.16 -3.33 0.00 0.00 175.10 170.51 1vpf s PRO 70 N -2.26 4.61 0.00 1.54 0.04 -1.26 -0.35 135.00 137.32 1vpf s PRO 70 Ca 0.01 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1vpf s PRO 70 Cb -0.06 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.33 1vpf s PRO 70 CO 0.01 0.17 0.55 0.25 0.04 0.00 0.00 177.00 178.02 1vpf n THR 71 N 1.13 0.00 -3.66 1.26 -2.24 0.39 -4.88 114.28 106.28 1vpf n THR 71 Ca -0.01 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 1vpf n THR 71 Cb 0.45 1.06 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 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 -0.39 0.59 0.30 -0.78 2.12 -1.21 -4.96 118.70 114.37 1vpf s GLU 72 Ca 0.04 1.12 0.04 0.00 0.36 0.00 0.00 54.97 56.52 1vpf s GLU 72 Cb 0.03 0.16 -0.06 0.00 0.26 0.00 0.00 34.13 34.52 1vpf s GLU 72 CO 0.05 -0.16 0.05 -1.21 -0.54 0.00 0.00 175.26 173.45 1vpf s GLU 73 N 1.71 1.56 0.27 4.30 2.02 -1.26 -0.30 118.70 127.00 1vpf s GLU 73 Ca -0.09 -1.84 -0.16 0.00 0.02 0.00 0.00 54.97 52.90 1vpf s GLU 73 Cb -0.07 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.41 1vpf s GLU 73 CO -0.18 -0.17 0.58 -1.54 0.02 0.00 0.00 175.26 173.97 1vpf s SER 74 N -3.43 -0.13 0.07 -0.19 1.04 -0.74 -4.85 113.70 105.48 1vpf s SER 74 Ca 0.35 -0.83 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1vpf s SER 74 Cb 0.08 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1vpf s SER 74 CO 0.14 -1.24 -0.14 0.20 0.98 0.00 0.00 173.24 173.18 1vpf s ASN 75 N -2.99 4.14 -0.06 7.02 -0.87 -1.26 -0.05 114.94 120.88 1vpf s ASN 75 Ca 0.18 -0.39 0.04 0.00 -1.57 0.00 0.00 52.86 51.12 1vpf s ASN 75 Cb -0.03 -0.75 -0.00 0.00 -0.02 0.00 0.00 41.25 40.45 1vpf s ASN 75 CO 0.09 0.22 -0.18 -0.51 -2.57 0.00 0.00 177.10 174.15 1vpf s ILE 76 N -1.07 1.54 -0.13 0.60 1.10 -0.16 -4.91 121.20 118.17 1vpf s ILE 76 Ca 0.18 -0.76 -0.02 0.00 -0.51 0.00 0.00 60.65 59.53 1vpf s ILE 76 Cb -0.11 -1.33 -0.03 0.00 0.15 0.00 0.00 42.46 41.14 1vpf s ILE 76 CO 0.09 0.44 -0.06 -0.89 -2.11 0.00 0.00 174.94 172.42 1vpf s THR 77 N 0.15 3.72 0.06 4.00 2.01 -1.26 -0.82 115.64 123.50 1vpf s THR 77 Ca -0.07 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1vpf s THR 77 Cb -0.13 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.75 1vpf s THR 77 CO 0.03 0.52 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.33 1vpf s MET 78 N 0.11 0.69 -0.45 4.92 -1.94 0.14 -4.95 119.30 117.83 1vpf s MET 78 Ca -0.02 -0.88 -0.25 0.00 -1.71 0.00 0.00 55.69 52.83 1vpf s MET 78 Cb -0.14 -0.57 0.02 0.00 2.01 0.00 0.00 34.83 36.15 1vpf s MET 78 CO 0.03 0.12 0.87 -0.65 -0.01 0.00 0.00 175.02 175.38 1vpf s GLN 79 N -1.74 3.53 0.03 2.03 -0.21 -1.26 -1.13 119.66 120.91 1vpf s GLN 79 Ca -0.05 0.11 0.08 0.00 0.02 0.00 0.00 55.36 55.52 1vpf s GLN 79 Cb -0.10 -3.92 -0.03 0.00 1.00 0.00 0.00 33.01 29.97 1vpf s GLN 79 CO 0.01 -1.15 -0.21 0.42 -2.12 0.00 0.00 175.29 172.24 1vpf s ILE 80 N 3.56 2.51 -0.07 1.08 -1.09 -0.20 -4.91 121.20 122.08 1vpf s ILE 80 Ca 0.35 -1.20 -0.11 0.00 -2.23 0.00 0.00 60.65 57.46 1vpf s ILE 80 Cb -0.11 -2.00 -0.05 0.00 -1.58 0.00 0.00 42.46 38.72 1vpf s ILE 80 CO 0.24 0.40 0.26 -0.04 -1.23 0.00 0.00 174.94 174.58 1vpf s MET 81 N -1.21 3.72 -0.01 2.79 -1.94 -0.07 -1.14 119.30 121.45 1vpf s MET 81 Ca 0.13 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.23 1vpf s MET 81 Cb -0.10 -3.22 0.01 0.00 2.01 0.00 0.00 34.83 33.52 1vpf s MET 81 CO 0.03 0.69 -0.01 -0.98 -0.01 0.00 0.00 175.02 174.75 1vpf s ARG 82 N -0.91 0.10 -0.10 2.03 1.70 -0.80 -0.35 118.95 120.61 1vpf s ARG 82 Ca 0.19 -0.01 -0.01 0.00 -0.47 0.00 0.00 55.73 55.43 1vpf s ARG 82 Cb -0.14 -0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.12 1vpf s ARG 82 CO 0.08 -0.01 -0.03 0.42 -1.08 0.00 0.00 175.30 174.68 1vpf s ILE 83 N 0.20 0.68 0.15 4.99 1.09 -1.01 -1.87 121.20 125.43 1vpf s ILE 83 Ca -0.02 -0.13 -0.30 0.00 -1.10 0.00 0.00 60.65 59.10 1vpf s ILE 83 Cb -0.03 -0.81 -0.07 0.00 -1.06 0.00 0.00 42.46 40.49 1vpf s ILE 83 CO -0.01 0.26 1.03 -0.54 -0.10 0.00 0.00 174.94 175.58 1vpf s LYS 84 N 1.84 4.65 -0.69 2.79 1.02 -1.26 -3.35 119.74 124.75 1vpf s LYS 84 Ca 0.04 1.58 -0.24 0.00 0.02 0.00 0.00 55.97 57.37 1vpf s LYS 84 Cb -0.13 -3.33 -0.16 0.00 -0.52 0.00 0.00 37.83 33.69 1vpf s LYS 84 CO -0.07 0.15 1.95 -2.30 -0.92 0.00 0.00 175.35 174.16 1vpf n PRO 85 N 2.58 0.00 -3.60 -1.68 -0.02 -1.26 -0.79 135.00 130.22 1vpf n PRO 85 Ca 0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.29 1vpf n PRO 85 Cb 0.48 -1.12 0.05 0.00 -0.02 0.00 0.00 33.50 32.89 1vpf n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1vpf n HIS 86 N 7.49 -2.02 -2.28 6.00 8.25 -1.26 -4.94 115.22 126.45 1vpf n HIS 86 Ca 0.48 0.81 0.01 0.00 -0.26 0.00 0.00 57.72 58.76 1vpf n HIS 86 Cb 0.01 -4.34 -0.00 0.00 1.12 0.00 0.00 29.99 26.78 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 -4.11 0.00 0.00 -0.41 6.02 0.03 -5.14 117.38 113.76 1vpf n GLN 87 Ca -0.25 -1.49 0.00 0.00 -0.01 0.00 0.00 57.00 55.25 1vpf n GLN 87 Cb 0.66 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.92 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 0.28 0.27 3.71 1.08 0.00 -1.26 -4.74 105.19 104.54 1vpf n GLY 88 Ca -0.02 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1vpf n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1vpf s GLN 89 N -4.95 4.52 0.20 1.61 -1.52 -1.26 -4.22 119.66 114.04 1vpf s GLN 89 Ca 0.00 1.58 0.09 0.00 -1.95 0.00 0.00 55.36 55.08 1vpf s GLN 89 Cb 0.00 -3.40 -0.05 0.00 -0.22 0.00 0.00 33.01 29.35 1vpf s GLN 89 CO 0.00 -0.11 -0.17 -1.01 -0.25 0.00 0.00 175.29 173.75 1vpf s HIS 90 N 0.90 1.87 -0.05 0.91 3.76 -0.78 -5.02 115.29 116.87 1vpf s HIS 90 Ca 0.54 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1vpf s HIS 90 Cb -0.25 -0.88 0.02 0.00 1.11 0.00 0.00 32.58 32.58 1vpf s HIS 90 CO 0.29 0.41 -0.03 -1.50 -0.85 0.00 0.00 174.74 173.06 1vpf s ILE 91 N -2.50 0.47 0.06 0.60 2.07 -1.26 -1.91 121.20 118.73 1vpf s ILE 91 Ca 0.21 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.42 1vpf s ILE 91 Cb -0.04 -0.54 -0.00 0.00 0.13 0.00 0.00 42.46 42.01 1vpf s ILE 91 CO 0.08 0.23 0.05 0.61 -1.91 0.00 0.00 174.94 174.01 1vpf n GLY 92 N 4.38 3.73 3.59 1.50 0.00 -0.29 -4.98 105.19 113.12 1vpf n GLY 92 Ca -0.20 -1.67 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.23 2.79 -0.02 1.61 2.02 -1.26 -1.04 118.70 120.58 1vpf s GLU 93 Ca 0.07 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.55 1vpf s GLU 93 Cb 0.00 -2.61 -0.00 0.00 0.10 0.00 0.00 34.13 31.62 1vpf s GLU 93 CO 0.05 0.65 -0.09 -1.64 0.02 0.00 0.00 175.26 174.25 1vpf s MET 94 N -0.77 0.84 -0.09 1.61 -1.94 -0.28 -4.93 119.30 113.74 1vpf s MET 94 Ca 0.12 -0.30 -0.02 0.00 -1.71 0.00 0.00 55.69 53.78 1vpf s MET 94 Cb -0.11 -0.80 -0.03 0.00 2.01 0.00 0.00 34.83 35.89 1vpf s MET 94 CO 0.02 0.14 -0.00 -1.12 -0.01 0.00 0.00 175.02 174.04 1vpf s SER 95 N 0.03 5.18 0.09 3.03 0.01 -1.26 -0.68 113.70 120.10 1vpf s SER 95 Ca -0.00 0.13 0.07 0.00 1.31 0.00 0.00 55.95 57.45 1vpf s SER 95 Cb -0.06 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.67 1vpf s SER 95 CO 0.00 0.37 -0.18 -0.36 0.41 0.00 0.00 173.24 173.48 1vpf s PHE 96 N -0.83 1.53 -0.09 2.43 0.08 -0.00 -4.96 117.98 116.13 1vpf s PHE 96 Ca 0.13 -0.44 -0.24 0.00 0.12 0.00 0.00 56.93 56.50 1vpf s PHE 96 Cb -0.11 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.46 1vpf s PHE 96 CO 0.02 0.14 0.76 -1.17 -0.10 0.00 0.00 175.22 174.86 1vpf s LEU 97 N -1.81 4.28 0.23 -0.37 2.96 -1.26 -0.99 118.68 121.71 1vpf s LEU 97 Ca 0.03 1.21 0.10 0.00 -0.22 0.00 0.00 54.13 55.24 1vpf s LEU 97 Cb -0.10 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 1vpf s LEU 97 CO 0.03 -0.21 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.68 1vpf s GLN 98 N 1.23 2.09 -0.23 1.98 -0.21 0.93 -4.83 119.66 120.62 1vpf s GLN 98 Ca 0.39 -1.41 -0.04 0.00 0.02 0.00 0.00 55.36 54.31 1vpf s GLN 98 Cb -0.18 -2.09 -0.00 0.00 1.00 0.00 0.00 33.01 31.74 1vpf s GLN 98 CO 0.17 0.39 -0.04 -1.01 -2.12 0.00 0.00 175.29 172.68 1vpf s HIS 99 N -2.09 2.98 -0.42 0.91 3.76 0.60 -1.79 115.29 119.24 1vpf s HIS 99 Ca 0.28 -1.02 0.23 0.00 -0.15 0.00 0.00 55.06 54.40 1vpf s HIS 99 Cb -0.07 -2.11 -0.06 0.00 1.11 0.00 0.00 32.58 31.45 1vpf s HIS 99 CO 0.17 -0.57 0.90 0.09 -0.85 0.00 0.00 174.74 174.48 1vpf n ASN 100 N 4.79 0.54 -3.69 1.40 4.13 0.60 -4.48 115.26 118.55 1vpf n ASN 100 Ca -0.18 -0.08 -0.12 0.00 1.68 0.00 0.00 54.58 55.88 1vpf n ASN 100 Cb 0.50 0.99 -0.09 0.00 -1.54 0.00 0.00 39.78 39.65 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 -3.30 0.58 0.33 3.52 2.20 -1.16 -4.88 119.74 117.04 1vpf s LYS 101 Ca 0.00 0.80 0.09 0.00 -0.36 0.00 0.00 55.97 56.51 1vpf s LYS 101 Cb 0.13 0.22 -0.06 0.00 -1.51 0.00 0.00 37.83 36.61 1vpf s LYS 101 CO 0.83 -0.10 -0.09 0.00 -0.36 0.00 0.00 175.35 175.63 1vpf s GLU 103 N -3.63 0.79 -0.20 0.00 2.12 0.53 -4.81 118.70 113.50 1vpf s GLU 103 Ca 0.32 0.77 -0.26 0.00 0.36 0.00 0.00 54.97 56.16 1vpf s GLU 103 Cb 0.03 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.79 1vpf s GLU 103 CO 0.16 -0.13 0.87 0.00 -0.54 0.00 0.00 175.26 175.62 1vpf s ARG 105 N 2.48 1.03 0.90 0.00 0.52 -0.51 -4.86 118.95 118.51 1vpf s ARG 105 Ca 0.39 -1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 53.99 1vpf s ARG 105 Cb -0.16 0.26 0.13 0.00 0.52 0.00 0.00 34.95 35.70 1vpf s ARG 105 CO 0.10 -0.31 1.11 -1.25 0.02 0.00 0.00 175.30 174.98 1vpf s PRO 106 N -4.08 1.20 0.00 3.54 0.04 -1.26 0.56 135.00 134.99 1vpf s PRO 106 Ca 0.29 1.27 0.19 0.00 0.04 0.00 0.00 61.00 62.79 1vpf s PRO 106 Cb 0.07 -1.77 0.15 0.00 0.04 0.00 0.00 34.50 33.00 1vpf s PRO 106 CO 0.05 -2.41 1.11 1.63 0.04 0.00 0.00 177.00 177.42