#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 4.85 0.00 3.84 1.01 -1.26 -5.02 120.40 123.83 2vpf s VAL 14 Ca 0.00 2.00 -0.30 0.00 0.00 0.00 0.00 61.98 63.68 2vpf s VAL 14 Cb 0.00 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2vpf s VAL 14 CO 0.00 0.11 1.23 -0.69 0.00 0.00 0.00 175.10 175.75 2vpf s VAL 15 N 1.37 4.07 0.54 2.92 1.01 -1.26 -5.00 120.40 124.06 2vpf s VAL 15 Ca 0.49 1.45 -0.19 0.00 0.00 0.00 0.00 61.98 63.73 2vpf s VAL 15 Cb -0.20 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2vpf s VAL 15 CO 0.23 0.04 1.12 -0.54 0.00 0.00 0.00 175.10 175.96 2vpf s LYS 16 N 1.77 3.37 0.15 2.72 1.02 -1.26 -4.87 119.74 122.65 2vpf s LYS 16 Ca 0.58 1.59 -0.19 0.00 0.02 0.00 0.00 55.97 57.98 2vpf s LYS 16 Cb -0.28 -2.01 0.05 0.00 -0.52 0.00 0.00 37.83 35.08 2vpf s LYS 16 CO 0.26 -0.83 1.67 0.35 -0.92 0.00 0.00 175.35 175.88 2vpf h PHE 17 N 1.19 -0.24 -0.18 3.18 3.57 -2.00 -1.66 116.94 120.80 2vpf h PHE 17 Ca -0.50 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 60.96 2vpf h PHE 17 Cb 1.26 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 2vpf h PHE 17 CO 0.52 -0.17 -0.21 0.52 -2.23 0.00 0.00 178.31 176.73 2vpf h MET 18 N -0.04 0.32 -0.07 1.11 2.86 -1.99 -1.26 114.93 115.86 2vpf h MET 18 Ca 0.16 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2vpf h MET 18 Cb 0.28 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 2vpf h MET 18 CO -0.35 0.53 0.02 0.22 1.06 0.00 0.00 176.91 178.39 2vpf h ASP 19 N 0.30 0.10 -0.52 1.22 3.58 -1.77 -1.93 116.42 117.40 2vpf h ASP 19 Ca 0.05 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2vpf h ASP 19 Cb 0.55 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2vpf h ASP 19 CO 0.04 0.27 0.29 0.58 -2.88 0.00 0.00 179.24 177.54 2vpf h VAL 20 N -0.07 1.18 -0.53 2.25 2.07 -0.92 -2.08 116.25 118.14 2vpf h VAL 20 Ca 0.02 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.17 2vpf h VAL 20 Cb 0.20 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2vpf h VAL 20 CO -0.00 0.19 0.21 0.22 0.02 0.00 0.00 177.57 178.20 2vpf h TYR 21 N 0.70 0.36 -0.26 1.57 3.20 -1.24 -1.60 116.97 119.71 2vpf h TYR 21 Ca 0.18 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.91 2vpf h TYR 21 Cb 0.04 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2vpf h TYR 21 CO -0.02 0.12 -0.49 1.96 -1.64 0.00 0.00 178.16 178.10 2vpf h GLN 22 N 0.40 0.78 0.00 1.82 4.20 -1.17 -3.05 115.11 118.09 2vpf h GLN 22 Ca 0.26 -0.50 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 2vpf h GLN 22 Cb 0.27 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2vpf h GLN 22 CO -0.25 1.13 -0.30 0.00 -0.67 0.00 0.00 178.83 178.74 2vpf h ARG 23 N 0.53 0.00 0.00 1.46 3.08 -1.25 -3.30 114.38 114.90 2vpf h ARG 23 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2vpf h ARG 23 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 2vpf h ARG 23 CO 0.11 0.30 -0.86 -1.13 -1.07 0.00 0.00 179.97 177.33 2vpf n SER 24 N -3.54 0.79 -4.77 7.04 3.41 -0.61 -4.97 113.62 110.98 2vpf n SER 24 Ca -0.00 -0.68 -0.40 0.00 -0.26 0.00 0.00 58.87 57.53 2vpf n SER 24 Cb 0.45 0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 65.13 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 -3.02 3.17 -0.22 7.33 5.04 -1.16 -1.04 117.35 127.45 2vpf s TYR 25 Ca 0.08 1.52 -0.20 0.00 -2.44 0.00 0.00 57.07 56.03 2vpf s TYR 25 Cb 0.16 -3.51 -0.09 0.00 0.35 0.00 0.00 41.96 38.87 2vpf s TYR 25 CO 0.81 -1.42 0.75 0.00 -1.34 0.00 0.00 175.55 174.36 2vpf s HIS 27 N 1.62 -0.10 0.04 0.00 -3.43 -0.70 -4.87 115.29 107.85 2vpf s HIS 27 Ca 0.47 0.00 -0.31 0.00 -0.80 0.00 0.00 55.06 54.43 2vpf s HIS 27 Cb -0.65 0.54 -0.06 0.00 -1.43 0.00 0.00 32.58 30.98 2vpf s HIS 27 CO 0.34 -0.30 1.37 -2.14 -2.00 0.00 0.00 174.74 172.01 2vpf s PRO 28 N -2.52 4.31 0.09 -0.38 0.02 -1.26 -1.49 135.00 133.78 2vpf s PRO 28 Ca 0.12 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.16 2vpf s PRO 28 Cb 0.02 -3.45 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 2vpf s PRO 28 CO -0.04 -0.49 -0.16 -1.50 -0.33 0.00 0.00 177.00 174.48 2vpf s ILE 29 N 1.83 1.29 0.03 2.83 2.07 0.12 -4.83 121.20 124.53 2vpf s ILE 29 Ca 0.63 -1.45 -0.30 0.00 -1.41 0.00 0.00 60.65 58.12 2vpf s ILE 29 Cb -0.33 -1.27 -0.07 0.00 0.13 0.00 0.00 42.46 40.92 2vpf s ILE 29 CO 0.28 -0.23 1.60 -0.70 -1.91 0.00 0.00 174.94 173.98 2vpf s GLU 30 N -1.98 4.21 -0.02 3.50 2.12 -1.26 -1.67 118.70 123.60 2vpf s GLU 30 Ca 0.02 2.23 0.04 0.00 0.36 0.00 0.00 54.97 57.62 2vpf s GLU 30 Cb -0.09 -3.67 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 2vpf s GLU 30 CO 0.03 -0.72 -0.13 0.99 -0.54 0.00 0.00 175.26 174.89 2vpf s THR 31 N 2.85 1.06 -0.42 -1.70 2.01 0.14 -4.95 115.64 114.63 2vpf s THR 31 Ca 0.72 -0.54 -0.22 0.00 0.31 0.00 0.00 61.69 61.96 2vpf s THR 31 Cb -0.37 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.26 2vpf s THR 31 CO 0.31 0.31 0.70 -0.76 -0.69 0.00 0.00 174.62 174.48 2vpf s LEU 32 N -0.11 4.33 -0.11 4.42 2.01 -1.26 -0.44 118.68 127.52 2vpf s LEU 32 Ca 0.01 -0.09 -0.00 0.00 0.01 0.00 0.00 54.13 54.06 2vpf s LEU 32 Cb -0.07 -2.84 -0.02 0.00 0.01 0.00 0.00 46.19 43.26 2vpf s LEU 32 CO 0.00 -0.78 -0.10 -0.69 1.01 0.00 0.00 176.35 175.80 2vpf s VAL 33 N 2.97 3.36 0.06 -1.59 1.01 -0.06 -4.88 120.40 121.27 2vpf s VAL 33 Ca 0.26 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2vpf s VAL 33 Cb -0.13 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 2vpf s VAL 33 CO 0.19 0.54 1.32 -0.62 0.00 0.00 0.00 175.10 176.53 2vpf s ASP 34 N -0.06 6.93 0.06 3.32 2.15 -1.26 -0.44 116.67 127.37 2vpf s ASP 34 Ca -0.01 2.14 -0.20 0.00 0.43 0.00 0.00 52.55 54.91 2vpf s ASP 34 Cb -0.14 -2.58 -0.11 0.00 -0.30 0.00 0.00 42.92 39.79 2vpf s ASP 34 CO 0.03 -0.60 1.48 0.40 -0.17 0.00 0.00 175.17 176.31 2vpf h ILE 35 N 4.54 1.26 -0.57 4.11 2.04 -1.46 -2.83 117.51 124.60 2vpf h ILE 35 Ca -0.40 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 64.62 2vpf h ILE 35 Cb 1.20 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 2vpf h ILE 35 CO 0.86 0.27 0.38 0.15 0.00 0.00 0.00 178.15 179.81 2vpf h PHE 36 N 0.05 0.53 -0.21 1.37 3.57 -1.85 0.21 116.94 120.61 2vpf h PHE 36 Ca 0.05 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 2vpf h PHE 36 Cb 0.41 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2vpf h PHE 36 CO 0.04 0.28 -0.16 -0.56 -2.23 0.00 0.00 178.31 175.68 2vpf h GLN 37 N 0.52 0.35 0.00 1.11 3.07 -1.89 -2.63 115.11 115.64 2vpf h GLN 37 Ca 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.89 2vpf h GLN 37 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.84 2vpf h GLN 37 CO -0.07 0.51 -0.35 0.93 0.09 0.00 0.00 178.83 179.94 2vpf h GLU 38 N 0.33 0.00 -2.07 0.06 4.39 -0.43 -3.39 114.58 113.47 2vpf h GLU 38 Ca 0.06 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.20 2vpf h GLU 38 Cb 0.48 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.73 2vpf h GLU 38 CO 0.03 0.00 -0.97 0.66 -1.16 0.00 0.00 179.01 177.57 2vpf n TYR 39 N -2.48 0.99 0.25 4.33 4.02 -0.22 -4.98 117.16 119.07 2vpf n TYR 39 Ca 0.04 -3.77 0.15 0.00 -0.01 0.00 0.00 57.90 54.30 2vpf n TYR 39 Cb 0.48 -0.42 0.76 0.00 -0.02 0.00 0.00 39.34 40.13 2vpf n TYR 39 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2vpf h PRO 40 N 3.81 0.00 -0.54 -0.72 0.13 -1.69 -1.96 132.00 131.02 2vpf h PRO 40 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2vpf h PRO 40 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2vpf h PRO 40 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 2vpf n ASP 41 N -2.54 2.51 -2.31 1.44 9.92 -1.26 -4.21 116.55 120.10 2vpf n ASP 41 Ca -0.01 -2.19 -0.30 0.00 -0.53 0.00 0.00 54.79 51.76 2vpf n ASP 41 Cb 0.09 -0.39 0.04 0.00 -0.64 0.00 0.00 41.12 40.22 2vpf n ASP 41 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2vpf n GLU 42 N 0.45 3.17 -0.04 -1.24 -0.58 -0.74 -4.74 120.64 116.92 2vpf n GLU 42 Ca 0.13 -3.84 0.13 0.00 -0.42 0.00 0.00 57.16 53.15 2vpf n GLU 42 Cb 0.48 -2.28 0.54 0.00 -0.57 0.00 0.00 31.44 29.61 2vpf n GLU 42 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2vpf h ILE 43 N 1.82 0.89 0.00 -3.67 2.04 -1.83 -1.63 117.51 115.13 2vpf h ILE 43 Ca 0.47 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 66.22 2vpf h ILE 43 Cb 1.00 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2vpf h ILE 43 CO 1.14 0.06 0.00 1.05 0.00 0.00 0.00 178.15 180.40 2vpf h GLU 44 N 0.31 0.00 -6.35 2.37 9.09 -1.97 -3.44 114.58 114.59 2vpf h GLU 44 Ca 0.24 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 59.05 2vpf h GLU 44 Cb 0.55 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 27.54 2vpf h GLU 44 CO -0.06 0.00 -0.67 0.71 0.05 0.00 0.00 179.01 179.05 2vpf s TYR 45 N -3.48 2.82 -0.08 2.06 2.02 -0.61 -4.54 117.35 115.54 2vpf s TYR 45 Ca 0.03 -0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 2vpf s TYR 45 Cb 0.09 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 2vpf s TYR 45 CO 0.44 0.52 -0.11 0.42 -1.57 0.00 0.00 175.55 175.26 2vpf s ILE 46 N -1.72 3.37 0.02 2.71 1.01 -0.48 -4.96 121.20 121.14 2vpf s ILE 46 Ca 0.27 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.33 2vpf s ILE 46 Cb -0.09 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2vpf s ILE 46 CO 0.18 0.58 0.09 -0.36 0.00 0.00 0.00 174.94 175.43 2vpf s PHE 47 N -0.53 3.29 -0.10 3.97 0.08 -1.26 -0.92 117.98 122.50 2vpf s PHE 47 Ca 0.07 0.19 -0.00 0.00 0.12 0.00 0.00 56.93 57.31 2vpf s PHE 47 Cb -0.12 -1.72 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2vpf s PHE 47 CO 0.02 0.55 -0.07 0.21 -0.10 0.00 0.00 175.22 175.83 2vpf s LYS 48 N -1.91 1.44 0.89 0.44 2.20 -0.17 -2.92 119.74 119.70 2vpf s LYS 48 Ca 0.25 -0.23 -0.11 0.00 -0.36 0.00 0.00 55.97 55.52 2vpf s LYS 48 Cb -0.12 -1.50 0.12 0.00 -1.51 0.00 0.00 37.83 34.82 2vpf s LYS 48 CO 0.16 -0.25 1.09 -1.25 -0.36 0.00 0.00 175.35 174.75 2vpf s PRO 49 N 1.64 1.34 0.00 4.03 0.04 -1.26 -1.08 135.00 139.72 2vpf s PRO 49 Ca 0.03 0.84 0.29 0.00 0.04 0.00 0.00 61.00 62.20 2vpf s PRO 49 Cb -0.13 -1.82 1.24 0.00 0.04 0.00 0.00 34.50 33.83 2vpf s PRO 49 CO -0.07 -2.19 1.87 -1.13 0.04 0.00 0.00 177.00 175.52 2vpf n SER 50 N -3.85 0.35 -4.12 6.66 3.41 -1.15 -4.86 113.62 110.06 2vpf n SER 50 Ca 0.07 -0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.20 2vpf n SER 50 Cb 0.55 -0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.28 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 -3.78 0.19 -0.57 0.00 -7.23 0.42 -4.89 120.40 104.53 2vpf s VAL 52 Ca 0.09 -0.57 -0.28 0.00 -1.81 0.00 0.00 61.98 59.41 2vpf s VAL 52 Cb 0.07 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.77 2vpf s VAL 52 CO -0.08 -0.24 1.41 -2.16 -0.31 0.00 0.00 175.10 173.72 2vpf s PRO 53 N -0.85 3.28 0.05 4.82 0.04 -1.26 -0.88 135.00 140.20 2vpf s PRO 53 Ca -0.08 0.41 0.07 0.00 0.04 0.00 0.00 61.00 61.44 2vpf s PRO 53 Cb -0.06 -4.13 -0.03 0.00 0.04 0.00 0.00 34.50 30.32 2vpf s PRO 53 CO -0.00 -1.96 -0.17 -0.51 0.04 0.00 0.00 177.00 174.39 2vpf s LEU 54 N 6.07 2.65 -0.31 -3.56 1.43 0.41 -4.89 118.68 120.49 2vpf s LEU 54 Ca 0.51 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 52.91 2vpf s LEU 54 Cb -0.10 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2vpf s LEU 54 CO 0.24 0.25 1.04 -0.04 0.23 0.00 0.00 176.35 178.07 2vpf s MET 55 N -1.50 4.06 0.03 1.70 -1.94 -1.26 0.23 119.30 120.62 2vpf s MET 55 Ca 0.15 1.03 -0.01 0.00 -1.71 0.00 0.00 55.69 55.15 2vpf s MET 55 Cb -0.11 -3.73 -0.02 0.00 2.01 0.00 0.00 34.83 32.98 2vpf s MET 55 CO 0.06 -0.86 -0.02 1.03 -0.01 0.00 0.00 175.02 175.22 2vpf s ARG 56 N 3.55 0.41 0.33 2.03 1.81 -0.67 -1.63 118.95 124.78 2vpf s ARG 56 Ca 0.44 -0.77 -0.29 0.00 -1.72 0.00 0.00 55.73 53.38 2vpf s ARG 56 Cb -0.13 0.15 -0.11 0.00 -0.45 0.00 0.00 34.95 34.41 2vpf s ARG 56 CO 0.15 -0.07 1.55 0.00 -0.68 0.00 0.00 175.30 176.24 2vpf s GLY 58 N 0.25 0.04 0.00 0.00 0.00 -0.55 -4.84 107.32 102.22 2vpf s GLY 58 Ca 0.60 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.90 2vpf s GLY 58 CO 0.54 -0.22 0.00 0.61 0.00 0.00 0.00 173.10 174.03 2vpf n GLY 59 N -0.43 -1.81 3.43 0.20 0.00 -1.26 -1.72 105.19 103.60 2vpf n GLY 59 Ca -0.04 -1.86 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 2vpf n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vpf n ASN 62 N -1.38 -5.98 -3.34 0.00 3.02 -1.26 -4.95 115.26 101.37 2vpf n ASN 62 Ca 0.02 -0.46 0.02 0.00 -0.03 0.00 0.00 54.58 54.13 2vpf n ASN 62 Cb 0.20 -4.63 -0.03 0.00 -0.61 0.00 0.00 39.78 34.71 2vpf n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2vpf s ASP 63 N -3.21 -0.81 0.00 6.41 -1.08 -1.26 -5.03 116.67 111.69 2vpf s ASP 63 Ca 0.50 0.84 0.15 0.00 -0.52 0.00 0.00 52.55 53.52 2vpf s ASP 63 Cb -0.22 1.81 0.67 0.00 -1.46 0.00 0.00 42.92 43.72 2vpf s ASP 63 CO 0.62 -0.15 1.47 -0.62 0.52 0.00 0.00 175.17 177.01 2vpf n GLU 64 N 5.26 0.04 0.00 4.34 1.02 -1.26 -1.73 120.64 128.30 2vpf n GLU 64 Ca -0.07 0.22 0.14 0.00 -0.02 0.00 0.00 57.16 57.43 2vpf n GLU 64 Cb 0.52 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 31.06 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 0.05 -0.62 3.46 0.62 0.00 -1.26 -4.89 105.19 102.55 2vpf n GLY 65 Ca 0.04 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.23 2.60 0.04 0.99 1.43 -0.71 -2.82 118.68 117.98 2vpf s LEU 66 Ca 0.35 -1.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.40 2vpf s LEU 66 Cb 0.21 -0.96 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2vpf s LEU 66 CO 0.41 -0.07 -0.06 -1.83 0.23 0.00 0.00 176.35 175.03 2vpf s GLU 67 N -3.57 0.50 -0.27 1.70 -1.05 0.09 -4.83 118.70 111.28 2vpf s GLU 67 Ca 0.29 -0.78 -0.21 0.00 -0.15 0.00 0.00 54.97 54.11 2vpf s GLU 67 Cb -0.02 -0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.48 2vpf s GLU 67 CO 0.13 0.02 0.68 0.00 0.95 0.00 0.00 175.26 177.04 2vpf s VAL 69 N 2.63 0.42 0.39 0.00 -7.23 -0.81 -4.93 120.40 110.87 2vpf s VAL 69 Ca 0.28 -1.46 -0.25 0.00 -1.81 0.00 0.00 61.98 58.74 2vpf s VAL 69 Cb -0.15 -1.06 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 2vpf s VAL 69 CO 0.09 -0.69 1.14 -2.16 -0.31 0.00 0.00 175.10 173.18 2vpf s PRO 70 N -2.74 4.11 0.00 4.82 0.04 -1.26 -1.02 135.00 138.95 2vpf s PRO 70 Ca -0.01 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2vpf s PRO 70 Cb -0.01 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2vpf s PRO 70 CO -0.04 -0.25 0.00 0.25 0.04 0.00 0.00 177.00 177.00 2vpf n THR 71 N 0.13 0.00 -3.68 1.26 -2.24 -0.19 -4.85 114.28 104.71 2vpf n THR 71 Ca 0.04 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.62 2vpf n THR 71 Cb 0.47 0.45 -0.17 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.68 -0.04 0.21 -0.78 2.12 -1.15 -4.95 118.70 112.43 2vpf s GLU 72 Ca 0.00 0.43 0.11 0.00 0.36 0.00 0.00 54.97 55.87 2vpf s GLU 72 Cb 0.00 -0.41 -0.05 0.00 0.26 0.00 0.00 34.13 33.94 2vpf s GLU 72 CO 0.00 -0.31 -0.22 -1.21 -0.54 0.00 0.00 175.26 172.98 2vpf s GLU 73 N 2.11 1.58 0.22 4.30 2.02 -1.26 0.53 118.70 128.20 2vpf s GLU 73 Ca 0.03 -1.57 -0.07 0.00 0.02 0.00 0.00 54.97 53.38 2vpf s GLU 73 Cb -0.12 -1.84 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 2vpf s GLU 73 CO -0.04 0.39 0.31 -1.54 0.02 0.00 0.00 175.26 174.39 2vpf s SER 74 N -2.87 0.03 0.19 -0.19 1.04 -0.51 -4.88 113.70 106.50 2vpf s SER 74 Ca 0.23 -1.13 0.10 0.00 0.48 0.00 0.00 55.95 55.64 2vpf s SER 74 Cb -0.07 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 2vpf s SER 74 CO 0.11 -0.99 -0.19 0.20 0.98 0.00 0.00 173.24 173.36 2vpf s ASN 75 N -3.08 3.73 -0.02 7.02 0.02 -1.26 -0.96 114.94 120.39 2vpf s ASN 75 Ca 0.29 -0.76 -0.03 0.00 -1.02 0.00 0.00 52.86 51.34 2vpf s ASN 75 Cb 0.03 -0.42 0.00 0.00 0.02 0.00 0.00 41.25 40.88 2vpf s ASN 75 CO 0.09 0.12 0.07 -0.51 0.02 0.00 0.00 177.10 176.89 2vpf s ILE 76 N -1.68 0.02 -0.10 0.60 2.07 -0.19 -4.93 121.20 116.99 2vpf s ILE 76 Ca 0.22 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.28 2vpf s ILE 76 Cb -0.08 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.32 2vpf s ILE 76 CO 0.12 -0.11 -0.16 -0.89 -1.91 0.00 0.00 174.94 171.99 2vpf s THR 77 N -0.32 2.82 0.05 4.00 2.01 -1.26 0.12 115.64 123.05 2vpf s THR 77 Ca -0.04 -0.76 0.04 0.00 0.31 0.00 0.00 61.69 61.23 2vpf s THR 77 Cb -0.03 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.32 2vpf s THR 77 CO 0.00 0.55 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.33 2vpf s MET 78 N 0.09 0.69 -0.27 4.92 -1.94 -0.44 -4.93 119.30 117.42 2vpf s MET 78 Ca -0.07 -0.76 -0.26 0.00 -1.71 0.00 0.00 55.69 52.89 2vpf s MET 78 Cb -0.15 -0.60 0.00 0.00 2.01 0.00 0.00 34.83 36.09 2vpf s MET 78 CO 0.05 0.13 0.89 -0.65 -0.01 0.00 0.00 175.02 175.43 2vpf s GLN 79 N -1.40 4.11 -0.04 2.03 -0.21 -1.26 -0.89 119.66 122.00 2vpf s GLN 79 Ca -0.04 0.92 0.06 0.00 0.02 0.00 0.00 55.36 56.32 2vpf s GLN 79 Cb -0.09 -3.68 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 2vpf s GLN 79 CO 0.01 -0.64 -0.22 0.42 -2.12 0.00 0.00 175.29 172.74 2vpf s ILE 80 N 3.05 1.78 -0.23 1.08 -1.09 0.12 -4.91 121.20 120.99 2vpf s ILE 80 Ca 0.37 -0.93 -0.26 0.00 -2.23 0.00 0.00 60.65 57.61 2vpf s ILE 80 Cb -0.14 -1.50 -0.00 0.00 -1.58 0.00 0.00 42.46 39.23 2vpf s ILE 80 CO 0.10 0.50 0.89 -0.32 -1.23 0.00 0.00 174.94 174.88 2vpf s MET 81 N -0.20 4.21 -0.23 2.79 -2.45 -0.24 -1.23 119.30 121.96 2vpf s MET 81 Ca -0.00 1.06 -0.09 0.00 -1.25 0.00 0.00 55.69 55.41 2vpf s MET 81 Cb -0.12 -3.64 -0.04 0.00 1.25 0.00 0.00 34.83 32.28 2vpf s MET 81 CO 0.02 -0.54 0.12 1.03 1.05 0.00 0.00 175.02 176.70 2vpf s ARG 82 N 2.89 3.97 -0.19 4.11 0.52 0.47 -1.00 118.95 129.72 2vpf s ARG 82 Ca 0.38 -0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 2vpf s ARG 82 Cb -0.15 -3.42 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 2vpf s ARG 82 CO 0.07 0.06 -0.04 0.42 0.02 0.00 0.00 175.30 175.83 2vpf s ILE 83 N 1.01 3.56 -0.50 1.52 1.01 -0.10 -0.41 121.20 127.30 2vpf s ILE 83 Ca 0.06 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2vpf s ILE 83 Cb -0.14 -2.59 0.12 0.00 0.01 0.00 0.00 42.46 39.87 2vpf s ILE 83 CO 0.04 0.45 0.39 -0.54 0.00 0.00 0.00 174.94 175.28 2vpf s LYS 84 N 0.98 2.63 0.01 2.79 1.02 0.15 -1.39 119.74 125.93 2vpf s LYS 84 Ca 0.00 -1.77 -0.39 0.00 0.02 0.00 0.00 55.97 53.83 2vpf s LYS 84 Cb -0.15 -4.03 -0.19 0.00 -0.52 0.00 0.00 37.83 32.95 2vpf s LYS 84 CO 0.01 -1.23 1.18 -2.30 -0.92 0.00 0.00 175.35 172.09 2vpf n PRO 85 N 4.97 0.40 -0.72 -1.68 -0.02 -1.26 -0.33 135.00 136.35 2vpf n PRO 85 Ca -0.09 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2vpf n PRO 85 Cb 0.41 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.95 0.00 -2.48 6.00 8.25 -1.26 -4.75 115.22 122.93 2vpf n HIS 86 Ca 0.20 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.55 2vpf n HIS 86 Cb 0.11 -1.57 0.04 0.00 1.12 0.00 0.00 29.99 29.69 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 -0.92 2.54 0.00 -0.41 6.02 0.56 -5.13 117.38 120.04 2vpf n GLN 87 Ca 0.00 -3.80 0.00 0.00 -0.01 0.00 0.00 57.00 53.19 2vpf n GLN 87 Cb 0.19 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.55 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 -0.63 -1.63 3.80 1.08 0.00 -1.16 -4.60 105.19 102.05 2vpf n GLY 88 Ca 0.23 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 2vpf n GLY 88 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2vpf s GLN 89 N 0.00 1.84 -0.26 1.61 -2.07 -1.26 -0.67 119.66 118.85 2vpf s GLN 89 Ca 0.00 -1.13 -0.17 0.00 -1.82 0.00 0.00 55.36 52.24 2vpf s GLN 89 Cb 0.00 0.59 0.07 0.00 -1.09 0.00 0.00 33.01 32.58 2vpf s GLN 89 CO 0.00 -0.84 0.64 -1.58 -1.32 0.00 0.00 175.29 172.20 2vpf s HIS 90 N -3.62 -0.90 -0.43 9.60 2.46 0.45 -4.98 115.29 117.88 2vpf s HIS 90 Ca 0.14 1.92 -0.24 0.00 0.47 0.00 0.00 55.06 57.34 2vpf s HIS 90 Cb -0.05 0.47 0.02 0.00 -0.13 0.00 0.00 32.58 32.89 2vpf s HIS 90 CO 0.08 -0.45 0.85 0.42 -2.47 0.00 0.00 174.74 173.18 2vpf s ILE 91 N 1.21 4.59 0.46 0.89 1.01 -1.26 -0.39 121.20 127.71 2vpf s ILE 91 Ca -0.07 0.72 0.03 0.00 0.00 0.00 0.00 60.65 61.33 2vpf s ILE 91 Cb -0.05 -4.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2vpf s ILE 91 CO -0.13 -0.69 0.02 -0.83 0.00 0.00 0.00 174.94 173.31 2vpf s GLY 92 N 2.10 2.79 0.06 6.18 0.00 -0.36 -4.91 107.32 113.18 2vpf s GLY 92 Ca 0.34 -1.15 -0.12 0.00 0.00 0.00 0.00 44.72 43.79 2vpf s GLY 92 CO 0.22 -2.12 0.42 -0.54 0.00 0.00 0.00 173.10 171.08 2vpf s GLU 93 N -3.81 3.84 0.01 2.90 2.02 -1.26 0.13 118.70 122.52 2vpf s GLU 93 Ca 0.18 0.29 -0.00 0.00 0.02 0.00 0.00 54.97 55.46 2vpf s GLU 93 Cb 0.05 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 2vpf s GLU 93 CO 0.09 0.59 -0.01 -1.64 0.02 0.00 0.00 175.26 174.32 2vpf s MET 94 N -1.64 0.21 -0.17 1.61 -1.94 -0.07 -4.92 119.30 112.38 2vpf s MET 94 Ca 0.30 -0.36 -0.13 0.00 -1.71 0.00 0.00 55.69 53.79 2vpf s MET 94 Cb -0.15 0.08 -0.05 0.00 2.01 0.00 0.00 34.83 36.72 2vpf s MET 94 CO 0.17 -0.03 0.26 0.45 -0.01 0.00 0.00 175.02 175.85 2vpf s SER 95 N -0.91 6.38 0.14 3.03 0.15 -1.26 -1.33 113.70 119.90 2vpf s SER 95 Ca -0.10 0.44 0.09 0.00 0.70 0.00 0.00 55.95 57.07 2vpf s SER 95 Cb -0.06 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2vpf s SER 95 CO -0.00 0.11 -0.20 -0.36 1.20 0.00 0.00 173.24 173.98 2vpf s PHE 96 N 0.49 1.85 0.01 3.44 0.08 0.12 -4.95 117.98 119.02 2vpf s PHE 96 Ca 0.14 -0.44 -0.22 0.00 0.12 0.00 0.00 56.93 56.54 2vpf s PHE 96 Cb -0.13 -0.97 -0.05 0.00 -0.57 0.00 0.00 43.02 41.30 2vpf s PHE 96 CO 0.03 0.28 0.63 -1.17 -0.10 0.00 0.00 175.22 174.89 2vpf s LEU 97 N -2.30 4.43 0.10 -0.37 2.96 -1.26 -1.02 118.68 121.22 2vpf s LEU 97 Ca 0.12 1.23 0.08 0.00 -0.22 0.00 0.00 54.13 55.34 2vpf s LEU 97 Cb -0.08 -2.99 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 2vpf s LEU 97 CO 0.06 0.09 -0.21 -1.10 -1.32 0.00 0.00 176.35 173.87 2vpf s GLN 98 N -0.18 1.12 -0.27 1.98 -0.21 -0.14 -4.81 119.66 117.15 2vpf s GLN 98 Ca 0.33 -1.17 -0.08 0.00 0.02 0.00 0.00 55.36 54.46 2vpf s GLN 98 Cb -0.19 -1.38 -0.02 0.00 1.00 0.00 0.00 33.01 32.42 2vpf s GLN 98 CO 0.19 0.32 0.10 -1.01 -2.12 0.00 0.00 175.29 172.77 2vpf s HIS 99 N -1.19 3.12 -0.13 0.91 3.76 -0.64 -1.43 115.29 119.70 2vpf s HIS 99 Ca 0.06 -0.48 0.22 0.00 -0.15 0.00 0.00 55.06 54.71 2vpf s HIS 99 Cb -0.10 -2.28 -0.19 0.00 1.11 0.00 0.00 32.58 31.13 2vpf s HIS 99 CO 0.04 -0.39 0.71 0.09 -0.85 0.00 0.00 174.74 174.34 2vpf n ASN 100 N 4.94 0.40 -3.90 1.40 4.13 0.19 -4.54 115.26 117.88 2vpf n ASN 100 Ca -0.15 0.16 -0.11 0.00 1.68 0.00 0.00 54.58 56.16 2vpf n ASN 100 Cb 0.50 1.20 -0.12 0.00 -1.54 0.00 0.00 39.78 39.83 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 -3.37 0.23 0.19 3.52 1.02 -1.07 -4.89 119.74 115.37 2vpf s LYS 101 Ca -0.05 -0.24 0.04 0.00 0.02 0.00 0.00 55.97 55.74 2vpf s LYS 101 Cb 0.11 0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 2vpf s LYS 101 CO 0.85 -0.04 -0.04 0.00 -0.92 0.00 0.00 175.35 175.20 2vpf s GLU 103 N -3.83 0.73 -0.24 0.00 2.12 -0.19 -4.88 118.70 112.41 2vpf s GLU 103 Ca 0.24 -0.50 -0.15 0.00 0.36 0.00 0.00 54.97 54.92 2vpf s GLU 103 Cb 0.05 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.71 2vpf s GLU 103 CO 0.05 -0.22 0.35 0.00 -0.54 0.00 0.00 175.26 174.90 2vpf s ARG 105 N 1.59 0.57 0.34 0.00 1.70 -0.96 -4.91 118.95 117.27 2vpf s ARG 105 Ca 0.15 -0.81 -0.26 0.00 -0.47 0.00 0.00 55.73 54.35 2vpf s ARG 105 Cb -0.15 0.22 -0.14 0.00 -0.57 0.00 0.00 34.95 34.31 2vpf s ARG 105 CO 0.08 -0.13 0.75 -2.30 -1.08 0.00 0.00 175.30 172.62 2vpf n PRO 106 N 0.74 0.83 0.00 3.89 -0.02 -1.26 -0.73 135.00 138.45 2vpf n PRO 106 Ca -0.19 0.30 0.09 0.00 -2.02 0.00 0.00 63.50 61.68 2vpf n PRO 106 Cb 0.59 -1.59 0.52 0.00 -0.02 0.00 0.00 33.50 32.99 2vpf n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11