#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vpf s VAL 15 N 0.00 4.97 0.41 2.52 1.01 -1.26 -5.03 120.40 123.03 2vpf s VAL 15 Ca 0.00 1.70 -0.23 0.00 0.00 0.00 0.00 61.98 63.45 2vpf s VAL 15 Cb 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2vpf s VAL 15 CO 0.00 0.21 1.05 -0.54 0.00 0.00 0.00 175.10 175.83 2vpf s LYS 16 N 0.89 4.09 0.14 2.72 -0.14 -1.26 -4.86 119.74 121.33 2vpf s LYS 16 Ca 0.44 1.50 -0.28 0.00 -1.36 0.00 0.00 55.97 56.27 2vpf s LYS 16 Cb -0.19 -2.47 -0.07 0.00 -1.68 0.00 0.00 37.83 33.42 2vpf s LYS 16 CO 0.22 -0.20 1.48 0.35 -0.76 0.00 0.00 175.35 176.44 2vpf h PHE 17 N 2.33 -1.67 -0.31 3.18 3.57 -2.00 0.94 116.94 122.98 2vpf h PHE 17 Ca -0.48 0.11 0.08 0.00 3.53 0.00 0.00 57.97 61.20 2vpf h PHE 17 Cb 1.22 0.84 -0.01 0.00 2.79 0.00 0.00 35.95 40.78 2vpf h PHE 17 CO 0.57 -0.35 0.22 1.98 -2.23 0.00 0.00 178.31 178.51 2vpf h MET 18 N -0.05 0.07 0.16 1.11 4.05 -1.99 -2.15 114.93 116.12 2vpf h MET 18 Ca 0.13 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.54 2vpf h MET 18 Cb 0.39 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2vpf h MET 18 CO -0.80 0.04 -0.07 0.22 0.23 0.00 0.00 176.91 176.53 2vpf h ASP 19 N 0.07 -0.18 -0.33 1.39 1.82 -1.22 -2.41 116.42 115.56 2vpf h ASP 19 Ca 0.14 -0.28 0.04 0.00 -0.39 0.00 0.00 57.03 56.54 2vpf h ASP 19 Cb 0.48 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.50 2vpf h ASP 19 CO -0.01 0.21 0.08 0.58 -1.61 0.00 0.00 179.24 178.49 2vpf h VAL 20 N -0.59 0.86 -0.65 2.25 2.07 -0.89 -2.43 116.25 116.86 2vpf h VAL 20 Ca -0.02 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.52 2vpf h VAL 20 Cb 0.45 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 2vpf h VAL 20 CO 0.04 0.04 0.30 0.22 0.02 0.00 0.00 177.57 178.18 2vpf h TYR 21 N 0.20 0.53 -0.24 1.57 3.20 -1.42 -0.05 116.97 120.75 2vpf h TYR 21 Ca 0.15 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.85 2vpf h TYR 21 Cb 0.16 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2vpf h TYR 21 CO -0.17 0.18 -0.63 1.96 -1.64 0.00 0.00 178.16 177.87 2vpf h GLN 22 N 0.52 0.85 -0.04 1.82 4.20 -1.26 -3.03 115.11 118.18 2vpf h GLN 22 Ca 0.32 -0.59 -0.14 0.00 0.06 0.00 0.00 58.65 58.30 2vpf h GLN 22 Cb 0.35 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2vpf h GLN 22 CO -0.27 1.22 -0.62 0.00 -0.67 0.00 0.00 178.83 178.49 2vpf h ARG 23 N 0.63 0.15 0.06 1.46 3.08 -0.94 -3.33 114.38 115.50 2vpf h ARG 23 Ca -0.01 -0.11 -0.27 0.00 0.07 0.00 0.00 59.98 59.66 2vpf h ARG 23 Cb 1.24 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 2vpf h ARG 23 CO 0.14 0.73 -1.39 0.66 -1.07 0.00 0.00 179.97 179.03 2vpf h SER 24 N 0.11 0.20 -2.76 7.04 4.64 -1.04 -3.47 113.55 118.27 2vpf h SER 24 Ca -0.01 -0.27 -0.58 0.00 -0.47 0.00 0.00 61.79 60.46 2vpf h SER 24 Cb 1.12 -0.07 0.09 0.00 -0.31 0.00 0.00 62.40 63.23 2vpf h SER 24 CO 0.09 1.22 0.59 0.00 -0.87 0.00 0.00 176.83 177.86 2vpf n TYR 25 N -3.35 2.16 -0.69 4.77 9.36 -1.15 -1.84 117.16 126.42 2vpf n TYR 25 Ca -0.11 0.46 -0.30 0.00 3.32 0.00 0.00 57.90 61.27 2vpf n TYR 25 Cb 1.01 -2.45 -0.05 0.00 -0.63 0.00 0.00 39.34 37.22 2vpf n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2vpf s HIS 27 N 2.10 -0.29 0.06 0.00 -3.43 -0.90 -4.84 115.29 107.98 2vpf s HIS 27 Ca 0.52 0.14 -0.30 0.00 -0.80 0.00 0.00 55.06 54.62 2vpf s HIS 27 Cb -0.70 0.55 -0.09 0.00 -1.43 0.00 0.00 32.58 30.92 2vpf s HIS 27 CO 0.34 -0.56 1.85 -2.14 -2.00 0.00 0.00 174.74 172.23 2vpf s PRO 28 N -3.08 4.15 0.03 -0.38 0.02 -1.26 -1.41 135.00 133.06 2vpf s PRO 28 Ca 0.06 2.53 0.04 0.00 0.02 0.00 0.00 61.00 63.65 2vpf s PRO 28 Cb -0.01 -3.87 -0.02 0.00 0.02 0.00 0.00 34.50 30.62 2vpf s PRO 28 CO -0.07 -0.88 -0.11 -1.50 -0.33 0.00 0.00 177.00 174.11 2vpf s ILE 29 N 3.57 0.88 0.02 2.83 2.07 0.16 -4.81 121.20 125.93 2vpf s ILE 29 Ca 0.82 -0.82 -0.32 0.00 -1.41 0.00 0.00 60.65 58.92 2vpf s ILE 29 Cb -0.42 -0.81 -0.11 0.00 0.13 0.00 0.00 42.46 41.25 2vpf s ILE 29 CO 0.37 -0.01 1.86 1.21 -1.91 0.00 0.00 174.94 176.47 2vpf n GLU 30 N 2.11 2.51 -4.53 3.50 2.13 -1.26 -2.25 120.64 122.85 2vpf n GLU 30 Ca -0.17 0.92 -0.22 0.00 0.66 0.00 0.00 57.16 58.34 2vpf n GLU 30 Cb 0.55 -2.80 -0.16 0.00 0.27 0.00 0.00 31.44 29.31 2vpf n GLU 30 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2vpf s THR 31 N 3.52 0.98 -0.29 6.31 2.01 0.53 -4.93 115.64 123.77 2vpf s THR 31 Ca 0.88 -0.47 -0.19 0.00 0.31 0.00 0.00 61.69 62.21 2vpf s THR 31 Cb -0.57 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 2vpf s THR 31 CO 0.44 0.29 0.57 -0.76 -0.69 0.00 0.00 174.62 174.48 2vpf s LEU 32 N 0.10 4.13 -0.12 4.42 2.01 -1.26 -0.76 118.68 127.20 2vpf s LEU 32 Ca -0.02 0.42 0.00 0.00 0.01 0.00 0.00 54.13 54.54 2vpf s LEU 32 Cb -0.09 -2.73 -0.02 0.00 0.01 0.00 0.00 46.19 43.37 2vpf s LEU 32 CO 0.01 -0.40 -0.13 -0.69 1.01 0.00 0.00 176.35 176.15 2vpf s VAL 33 N 2.46 3.10 0.20 -1.59 1.01 -0.15 -4.88 120.40 120.55 2vpf s VAL 33 Ca 0.23 -0.65 -0.31 0.00 0.00 0.00 0.00 61.98 61.24 2vpf s VAL 33 Cb -0.15 -2.29 -0.11 0.00 0.00 0.00 0.00 36.38 33.83 2vpf s VAL 33 CO 0.11 0.53 1.59 -0.62 0.00 0.00 0.00 175.10 176.71 2vpf s ASP 34 N 0.17 6.53 0.10 3.32 2.15 -1.26 -1.30 116.67 126.37 2vpf s ASP 34 Ca -0.07 2.71 -0.14 0.00 0.43 0.00 0.00 52.55 55.48 2vpf s ASP 34 Cb -0.15 -2.60 -0.11 0.00 -0.30 0.00 0.00 42.92 39.76 2vpf s ASP 34 CO 0.05 -0.85 1.37 0.40 -0.17 0.00 0.00 175.17 175.96 2vpf h ILE 35 N 3.86 1.30 -0.36 4.11 2.04 -1.23 -3.09 117.51 124.14 2vpf h ILE 35 Ca -0.43 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 63.76 2vpf h ILE 35 Cb 1.21 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.02 2vpf h ILE 35 CO 0.90 0.52 0.16 0.15 0.00 0.00 0.00 178.15 179.88 2vpf h PHE 36 N 0.45 0.48 -0.70 1.37 3.57 -1.85 -0.98 116.94 119.29 2vpf h PHE 36 Ca 0.01 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2vpf h PHE 36 Cb 1.05 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.55 2vpf h PHE 36 CO 0.08 0.37 0.27 0.37 -2.23 0.00 0.00 178.31 177.18 2vpf h GLN 37 N 0.50 0.42 0.00 1.11 4.15 -1.92 -2.40 115.11 116.96 2vpf h GLN 37 Ca 0.13 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.42 2vpf h GLN 37 Cb 0.08 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2vpf h GLN 37 CO -0.02 0.28 -0.58 0.93 -1.93 0.00 0.00 178.83 177.51 2vpf h GLU 38 N 0.44 0.00 -2.24 1.69 4.39 -1.30 -3.37 114.58 114.19 2vpf h GLU 38 Ca 0.37 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.49 2vpf h GLU 38 Cb 0.52 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.75 2vpf h GLU 38 CO -0.36 0.44 -0.68 0.66 -1.16 0.00 0.00 179.01 177.91 2vpf n TYR 39 N -3.17 3.60 0.54 4.33 4.02 -0.45 -4.94 117.16 121.09 2vpf n TYR 39 Ca 0.01 -4.01 0.07 0.00 -0.01 0.00 0.00 57.90 53.97 2vpf n TYR 39 Cb 0.73 -0.49 0.33 0.00 -0.02 0.00 0.00 39.34 39.89 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 0.02 0.01 -0.01 -0.72 -0.04 -0.93 -2.30 135.00 131.04 2vpf n PRO 40 Ca 0.30 0.23 0.07 0.00 -0.04 0.00 0.00 63.50 64.06 2vpf n PRO 40 Cb 0.42 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.78 2vpf n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2vpf n ASP 41 N -1.49 0.15 -2.90 3.54 5.75 -1.26 -4.42 116.55 115.91 2vpf n ASP 41 Ca 0.04 -1.59 -0.31 0.00 -0.01 0.00 0.00 54.79 52.92 2vpf n ASP 41 Cb 0.18 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.25 2vpf n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2vpf n GLU 42 N -0.62 3.59 0.23 0.11 1.02 -0.97 -4.82 120.64 119.17 2vpf n GLU 42 Ca 0.11 -4.54 0.09 0.00 -0.02 0.00 0.00 57.16 52.79 2vpf n GLU 42 Cb 0.07 -2.28 0.55 0.00 -0.02 0.00 0.00 31.44 29.75 2vpf n GLU 42 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2vpf h ILE 43 N 2.60 0.79 0.00 -3.67 2.10 -1.85 -2.75 117.51 114.73 2vpf h ILE 43 Ca 0.31 -0.91 0.00 0.00 1.08 0.00 0.00 64.86 65.34 2vpf h ILE 43 Cb 0.55 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 2vpf h ILE 43 CO 0.97 0.22 0.00 -1.84 -1.08 0.00 0.00 178.15 176.42 2vpf n GLU 44 N -3.73 0.08 -4.30 2.19 0.00 -1.26 -4.79 120.64 108.83 2vpf n GLU 44 Ca -0.01 0.25 -0.29 0.00 0.00 0.00 0.00 57.16 57.11 2vpf n GLU 44 Cb 0.34 -1.64 -0.11 0.00 0.00 0.00 0.00 31.44 30.03 2vpf n GLU 44 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 2vpf s TYR 45 N -3.10 2.55 0.07 -1.84 2.02 -1.04 -4.49 117.35 111.52 2vpf s TYR 45 Ca 0.08 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.58 2vpf s TYR 45 Cb 0.11 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.31 2vpf s TYR 45 CO 0.38 0.42 -0.09 0.96 -1.57 0.00 0.00 175.55 175.65 2vpf s ILE 46 N -1.28 3.45 -0.05 2.71 -4.36 0.16 -4.94 121.20 116.89 2vpf s ILE 46 Ca 0.20 -1.10 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 2vpf s ILE 46 Cb -0.10 -2.57 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 2vpf s ILE 46 CO 0.11 0.21 -0.02 -0.36 0.24 0.00 0.00 174.94 175.13 2vpf s PHE 47 N -1.13 3.07 -0.11 1.37 0.08 -1.26 -0.69 117.98 119.30 2vpf s PHE 47 Ca 0.20 0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.37 2vpf s PHE 47 Cb -0.11 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.63 2vpf s PHE 47 CO 0.12 0.43 -0.13 0.21 -0.10 0.00 0.00 175.22 175.74 2vpf s LYS 48 N -1.09 2.08 0.99 0.44 2.20 -0.11 -2.72 119.74 121.53 2vpf s LYS 48 Ca 0.15 -0.50 -0.12 0.00 -0.36 0.00 0.00 55.97 55.15 2vpf s LYS 48 Cb -0.11 -1.85 0.19 0.00 -1.51 0.00 0.00 37.83 34.55 2vpf s LYS 48 CO 0.05 -0.13 1.08 -1.25 -0.36 0.00 0.00 175.35 174.74 2vpf s PRO 49 N 1.19 0.46 0.00 4.03 0.04 -1.26 -1.29 135.00 138.18 2vpf s PRO 49 Ca -0.03 0.95 0.26 0.00 0.04 0.00 0.00 61.00 62.22 2vpf s PRO 49 Cb -0.14 -1.71 0.69 0.00 0.04 0.00 0.00 34.50 33.38 2vpf s PRO 49 CO -0.04 -2.82 1.53 -1.13 0.04 0.00 0.00 177.00 174.58 2vpf n SER 50 N -4.30 1.71 -4.28 6.66 3.41 -1.10 -4.88 113.62 110.83 2vpf n SER 50 Ca 0.07 -1.43 -0.15 0.00 -0.26 0.00 0.00 58.87 57.10 2vpf n SER 50 Cb 0.54 0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 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 -3.56 0.33 -0.39 0.00 -7.23 -0.42 -4.89 120.40 104.22 2vpf s VAL 52 Ca 0.26 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 2vpf s VAL 52 Cb 0.06 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.63 2vpf s VAL 52 CO 0.06 -0.29 1.15 -2.16 -0.31 0.00 0.00 175.10 173.55 2vpf s PRO 53 N -1.12 3.87 0.05 4.82 0.04 -1.26 -0.98 135.00 140.42 2vpf s PRO 53 Ca -0.09 0.86 0.06 0.00 0.04 0.00 0.00 61.00 61.88 2vpf s PRO 53 Cb -0.08 -3.85 -0.02 0.00 0.04 0.00 0.00 34.50 30.59 2vpf s PRO 53 CO -0.00 -1.18 -0.18 -0.51 0.04 0.00 0.00 177.00 175.17 2vpf s LEU 54 N 4.20 2.19 -0.15 -3.56 1.43 0.06 -4.90 118.68 117.95 2vpf s LEU 54 Ca 0.49 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.77 2vpf s LEU 54 Cb -0.10 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.30 2vpf s LEU 54 CO 0.25 0.09 1.13 -0.04 0.23 0.00 0.00 176.35 178.01 2vpf s MET 55 N -1.26 4.31 -0.00 1.70 -1.94 -1.26 -0.35 119.30 120.49 2vpf s MET 55 Ca 0.05 1.52 -0.05 0.00 -1.71 0.00 0.00 55.69 55.50 2vpf s MET 55 Cb -0.09 -3.63 -0.00 0.00 2.01 0.00 0.00 34.83 33.12 2vpf s MET 55 CO 0.02 -0.54 0.09 1.03 -0.01 0.00 0.00 175.02 175.60 2vpf s ARG 56 N 2.81 0.35 0.25 2.03 1.81 -0.96 -1.03 118.95 124.21 2vpf s ARG 56 Ca 0.50 -0.31 -0.31 0.00 -1.72 0.00 0.00 55.73 53.89 2vpf s ARG 56 Cb -0.20 0.14 -0.12 0.00 -0.45 0.00 0.00 34.95 34.32 2vpf s ARG 56 CO 0.14 -0.07 1.59 0.00 -0.68 0.00 0.00 175.30 176.28 2vpf n GLY 58 N 2.77 2.35 2.83 0.00 0.00 -0.50 -4.81 105.19 107.83 2vpf n GLY 58 Ca 0.12 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2vpf n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vpf n GLY 59 N -0.43 -2.37 3.59 -0.02 0.00 -1.26 -2.12 105.19 102.57 2vpf n GLY 59 Ca 0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.88 -5.41 0.00 0.00 3.02 -1.26 -4.96 115.26 105.77 2vpf n ASN 62 Ca 0.06 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 2vpf n ASN 62 Cb 0.38 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.64 2vpf n ASN 62 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2vpf n ASP 63 N -2.90 0.00 0.00 6.41 5.68 -1.26 -5.04 116.55 119.43 2vpf n ASP 63 Ca -0.05 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.35 2vpf n ASP 63 Cb 0.58 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.14 2vpf n ASP 63 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2vpf n GLU 64 N 0.00 0.46 0.00 0.11 1.02 -1.26 -2.28 120.64 118.69 2vpf n GLU 64 Ca 0.00 0.05 0.14 0.00 -0.02 0.00 0.00 57.16 57.33 2vpf n GLU 64 Cb 0.00 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.48 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 0.42 -1.29 3.51 0.62 0.00 -1.26 -4.84 105.19 102.36 2vpf n GLY 65 Ca 0.13 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.82 2.77 0.05 0.99 1.43 -0.97 -1.06 118.68 119.07 2vpf s LEU 66 Ca 0.19 -0.70 0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2vpf s LEU 66 Cb 0.19 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 2vpf s LEU 66 CO 0.54 0.11 -0.10 -1.83 0.23 0.00 0.00 176.35 175.30 2vpf s GLU 67 N -2.79 0.63 -0.35 1.70 -1.05 0.12 -4.79 118.70 112.17 2vpf s GLU 67 Ca 0.24 -0.77 -0.23 0.00 -0.15 0.00 0.00 54.97 54.05 2vpf s GLU 67 Cb -0.08 -0.49 0.01 0.00 -0.44 0.00 0.00 34.13 33.12 2vpf s GLU 67 CO 0.13 0.10 0.77 0.00 0.95 0.00 0.00 175.26 177.22 2vpf s VAL 69 N 3.03 1.11 0.09 0.00 -7.23 -0.25 -4.92 120.40 112.22 2vpf s VAL 69 Ca 0.31 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 58.17 2vpf s VAL 69 Cb -0.13 -1.79 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 2vpf s VAL 69 CO 0.16 -0.74 0.93 -2.16 -0.31 0.00 0.00 175.10 172.98 2vpf s PRO 70 N -3.67 4.66 0.00 4.82 0.04 -1.26 -1.15 135.00 138.44 2vpf s PRO 70 Ca 0.15 1.39 0.04 0.00 0.04 0.00 0.00 61.00 62.63 2vpf s PRO 70 Cb 0.02 -3.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 2vpf s PRO 70 CO -0.00 0.20 0.28 0.25 0.04 0.00 0.00 177.00 177.77 2vpf n THR 71 N 2.88 0.00 -3.68 1.26 -2.24 0.55 -4.91 114.28 108.14 2vpf n THR 71 Ca 0.02 -0.43 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2vpf n THR 71 Cb 0.49 1.02 -0.09 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.12 0.53 0.31 -0.78 2.12 -1.15 -4.95 118.70 113.66 2vpf s GLU 72 Ca 0.02 0.86 0.03 0.00 0.36 0.00 0.00 54.97 56.24 2vpf s GLU 72 Cb 0.03 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.50 2vpf s GLU 72 CO 0.13 -0.13 0.12 -1.83 -0.54 0.00 0.00 175.26 173.02 2vpf s GLU 73 N 1.06 1.59 0.20 4.30 -1.05 -1.26 0.14 118.70 123.68 2vpf s GLU 73 Ca -0.06 -1.90 -0.22 0.00 -0.15 0.00 0.00 54.97 52.64 2vpf s GLU 73 Cb -0.06 -0.31 0.07 0.00 -0.44 0.00 0.00 34.13 33.38 2vpf s GLU 73 CO -0.10 -0.37 0.97 -1.54 0.95 0.00 0.00 175.26 175.17 2vpf s SER 74 N -3.40 -0.07 0.19 0.83 1.04 -0.91 -4.80 113.70 106.58 2vpf s SER 74 Ca 0.35 -0.63 0.09 0.00 0.48 0.00 0.00 55.95 56.23 2vpf s SER 74 Cb 0.06 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 2vpf s SER 74 CO 0.16 -1.06 -0.08 0.20 0.98 0.00 0.00 173.24 173.43 2vpf s ASN 75 N -3.17 4.30 0.02 7.02 0.02 -1.26 -0.20 114.94 121.66 2vpf s ASN 75 Ca 0.17 -0.58 0.01 0.00 -1.02 0.00 0.00 52.86 51.44 2vpf s ASN 75 Cb -0.03 -0.74 -0.01 0.00 0.02 0.00 0.00 41.25 40.49 2vpf s ASN 75 CO 0.05 0.09 -0.05 -0.51 0.02 0.00 0.00 177.10 176.70 2vpf s ILE 76 N -1.77 0.36 -0.11 0.60 2.07 -0.41 -4.92 121.20 117.02 2vpf s ILE 76 Ca 0.26 -0.64 -0.01 0.00 -1.41 0.00 0.00 60.65 58.85 2vpf s ILE 76 Cb -0.09 -0.39 -0.02 0.00 0.13 0.00 0.00 42.46 42.09 2vpf s ILE 76 CO 0.16 -0.19 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.02 2vpf s THR 77 N -0.81 3.52 0.02 4.00 2.01 -1.26 -0.52 115.64 122.59 2vpf s THR 77 Ca -0.06 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.44 2vpf s THR 77 Cb -0.06 -2.48 -0.01 0.00 0.01 0.00 0.00 72.50 69.95 2vpf s THR 77 CO -0.00 0.54 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.38 2vpf s MET 78 N -0.09 0.39 -0.43 4.92 1.00 0.34 -4.95 119.30 120.48 2vpf s MET 78 Ca 0.00 -0.48 -0.25 0.00 0.00 0.00 0.00 55.69 54.96 2vpf s MET 78 Cb -0.13 -0.20 0.02 0.00 0.00 0.00 0.00 34.83 34.51 2vpf s MET 78 CO 0.03 0.04 0.88 -0.65 0.00 0.00 0.00 175.02 175.32 2vpf s GLN 79 N -0.98 3.59 0.01 2.03 -0.21 -1.26 -0.91 119.66 121.94 2vpf s GLN 79 Ca -0.07 0.21 0.07 0.00 0.02 0.00 0.00 55.36 55.59 2vpf s GLN 79 Cb -0.07 -3.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.03 2vpf s GLN 79 CO -0.00 -1.10 -0.23 0.42 -2.12 0.00 0.00 175.29 172.26 2vpf s ILE 80 N 3.53 1.81 -0.28 1.08 -1.09 0.24 -4.90 121.20 121.59 2vpf s ILE 80 Ca 0.35 -1.12 -0.24 0.00 -2.23 0.00 0.00 60.65 57.41 2vpf s ILE 80 Cb -0.11 -1.53 -0.00 0.00 -1.58 0.00 0.00 42.46 39.23 2vpf s ILE 80 CO 0.23 0.38 0.81 -0.32 -1.23 0.00 0.00 174.94 174.81 2vpf s MET 81 N -0.87 4.08 -0.25 2.79 -2.45 -0.41 -1.20 119.30 120.98 2vpf s MET 81 Ca 0.09 0.77 -0.14 0.00 -1.25 0.00 0.00 55.69 55.15 2vpf s MET 81 Cb -0.09 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.26 2vpf s MET 81 CO 0.01 -0.60 0.35 1.03 1.05 0.00 0.00 175.02 176.85 2vpf s ARG 82 N 2.91 4.06 -0.13 4.11 0.52 0.29 -0.93 118.95 129.78 2vpf s ARG 82 Ca 0.34 0.03 0.01 0.00 -0.52 0.00 0.00 55.73 55.58 2vpf s ARG 82 Cb -0.15 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 2vpf s ARG 82 CO 0.10 -0.18 -0.15 0.42 0.02 0.00 0.00 175.30 175.50 2vpf s ILE 83 N 1.77 2.81 -0.39 1.52 1.01 0.13 -1.16 121.20 126.89 2vpf s ILE 83 Ca 0.15 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.95 2vpf s ILE 83 Cb -0.15 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.20 2vpf s ILE 83 CO 0.09 0.53 0.23 -0.75 0.00 0.00 0.00 174.94 175.04 2vpf s LYS 84 N 0.44 2.73 0.13 2.79 2.20 -0.57 -0.66 119.74 126.80 2vpf s LYS 84 Ca -0.11 -1.25 -0.35 0.00 -0.36 0.00 0.00 55.97 53.90 2vpf s LYS 84 Cb -0.16 -3.75 -0.16 0.00 -1.51 0.00 0.00 37.83 32.24 2vpf s LYS 84 CO 0.05 -0.81 1.27 -2.30 -0.36 0.00 0.00 175.35 173.20 2vpf n PRO 85 N 4.97 1.23 -0.47 4.03 -0.02 -1.26 -0.74 135.00 142.74 2vpf n PRO 85 Ca -0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2vpf n PRO 85 Cb 0.45 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 2.07 0.00 -2.51 6.00 8.25 -1.26 -4.81 115.22 122.96 2vpf n HIS 86 Ca 0.17 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.51 2vpf n HIS 86 Cb 0.22 -0.87 0.03 0.00 1.12 0.00 0.00 29.99 30.50 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 -2.00 2.43 0.00 -0.41 6.02 0.08 -5.13 117.38 118.37 2vpf n GLN 87 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 57.00 53.20 2vpf n GLN 87 Cb 0.00 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.42 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 -0.54 -0.48 2.81 1.08 0.00 -1.19 -4.49 105.19 102.37 2vpf n GLY 88 Ca 0.23 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.75 0.05 -0.02 1.61 1.11 -1.26 -1.52 119.66 116.89 2vpf s GLN 89 Ca 0.00 0.11 -0.01 0.00 0.01 0.00 0.00 55.36 55.47 2vpf s GLN 89 Cb 0.00 -0.25 0.01 0.00 -1.01 0.00 0.00 33.01 31.76 2vpf s GLN 89 CO 0.00 -0.12 0.04 -1.01 0.01 0.00 0.00 175.29 174.22 2vpf s HIS 90 N 0.79 -0.04 -0.00 0.91 3.76 -0.31 -4.97 115.29 115.43 2vpf s HIS 90 Ca -0.07 0.12 -0.21 0.00 -0.15 0.00 0.00 55.06 54.75 2vpf s HIS 90 Cb -0.10 -0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.53 2vpf s HIS 90 CO -0.02 -0.03 0.63 0.42 -0.85 0.00 0.00 174.74 174.89 2vpf s ILE 91 N 0.12 4.89 0.15 0.60 1.01 -1.26 -0.54 121.20 126.16 2vpf s ILE 91 Ca -0.01 1.31 -0.13 0.00 0.00 0.00 0.00 60.65 61.82 2vpf s ILE 91 Cb -0.01 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2vpf s ILE 91 CO -0.00 0.40 0.36 -0.83 0.00 0.00 0.00 174.94 174.87 2vpf s GLY 92 N -0.09 0.03 -0.01 6.18 0.00 -0.34 -4.93 107.32 108.16 2vpf s GLY 92 Ca 0.33 -0.41 -0.28 0.00 0.00 0.00 0.00 44.72 44.35 2vpf s GLY 92 CO 0.18 -0.52 0.89 -0.54 0.00 0.00 0.00 173.10 173.10 2vpf s GLU 93 N -3.87 4.53 -0.05 2.90 2.02 -1.26 -0.59 118.70 122.37 2vpf s GLU 93 Ca 0.09 1.25 0.03 0.00 0.02 0.00 0.00 54.97 56.35 2vpf s GLU 93 Cb 0.02 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 30.81 2vpf s GLU 93 CO -0.06 0.01 -0.13 -1.64 0.02 0.00 0.00 175.26 173.46 2vpf s MET 94 N 0.85 1.52 -0.11 1.61 -1.94 -0.08 -4.95 119.30 116.19 2vpf s MET 94 Ca 0.47 -0.44 -0.08 0.00 -1.71 0.00 0.00 55.69 53.92 2vpf s MET 94 Cb -0.20 -1.31 -0.04 0.00 2.01 0.00 0.00 34.83 35.29 2vpf s MET 94 CO 0.25 0.12 0.17 0.45 -0.01 0.00 0.00 175.02 176.00 2vpf s SER 95 N 0.33 6.42 0.08 3.03 0.15 -1.26 -0.51 113.70 121.95 2vpf s SER 95 Ca -0.08 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.12 2vpf s SER 95 Cb -0.12 -2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 2vpf s SER 95 CO 0.02 0.37 -0.10 -0.36 1.20 0.00 0.00 173.24 174.37 2vpf s PHE 96 N -0.88 1.00 0.12 3.44 0.08 0.32 -4.97 117.98 117.09 2vpf s PHE 96 Ca 0.15 -0.58 -0.24 0.00 0.12 0.00 0.00 56.93 56.39 2vpf s PHE 96 Cb -0.12 -0.56 -0.07 0.00 -0.57 0.00 0.00 43.02 41.69 2vpf s PHE 96 CO 0.05 -0.01 0.73 -1.17 -0.10 0.00 0.00 175.22 174.72 2vpf s LEU 97 N -2.08 4.55 0.24 -0.37 2.96 -1.26 -1.29 118.68 121.43 2vpf s LEU 97 Ca 0.00 1.53 0.07 0.00 -0.22 0.00 0.00 54.13 55.51 2vpf s LEU 97 Cb -0.06 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 2vpf s LEU 97 CO 0.01 0.18 -0.10 -1.10 -1.32 0.00 0.00 176.35 174.02 2vpf s GLN 98 N -0.92 1.45 -0.17 1.98 -0.21 0.72 -4.83 119.66 117.68 2vpf s GLN 98 Ca 0.35 -1.69 -0.03 0.00 0.02 0.00 0.00 55.36 54.00 2vpf s GLN 98 Cb -0.22 -1.13 -0.02 0.00 1.00 0.00 0.00 33.01 32.64 2vpf s GLN 98 CO 0.24 0.10 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.45 2vpf s HIS 99 N -3.00 2.96 -0.16 0.91 3.76 -0.20 -2.13 115.29 117.43 2vpf s HIS 99 Ca 0.26 -0.56 0.18 0.00 -0.15 0.00 0.00 55.06 54.79 2vpf s HIS 99 Cb 0.02 -1.99 -0.25 0.00 1.11 0.00 0.00 32.58 31.47 2vpf s HIS 99 CO 0.10 -0.23 0.24 0.09 -0.85 0.00 0.00 174.74 174.09 2vpf n ASN 100 N 3.95 0.17 -3.87 1.40 4.13 0.12 -4.54 115.26 116.63 2vpf n ASN 100 Ca -0.18 0.08 -0.11 0.00 1.68 0.00 0.00 54.58 56.05 2vpf n ASN 100 Cb 0.52 0.92 -0.11 0.00 -1.54 0.00 0.00 39.78 39.57 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 -2.65 0.33 0.17 3.52 1.02 -1.07 -4.86 119.74 116.19 2vpf s LYS 101 Ca -0.09 -0.19 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2vpf s LYS 101 Cb 0.07 0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 37.47 2vpf s LYS 101 CO 0.84 -0.07 -0.04 0.00 -0.92 0.00 0.00 175.35 175.16 2vpf s GLU 103 N -3.84 0.80 -0.33 0.00 -1.05 -0.30 -4.86 118.70 109.12 2vpf s GLU 103 Ca 0.22 -0.30 -0.19 0.00 -0.15 0.00 0.00 54.97 54.54 2vpf s GLU 103 Cb 0.05 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.09 2vpf s GLU 103 CO 0.03 -0.25 0.56 0.00 0.95 0.00 0.00 175.26 176.55 2vpf s ARG 105 N 2.48 1.84 0.29 0.00 0.52 -0.44 -4.88 118.95 118.77 2vpf s ARG 105 Ca 0.21 -1.13 -0.30 0.00 -0.52 0.00 0.00 55.73 53.99 2vpf s ARG 105 Cb -0.15 -2.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.09 2vpf s ARG 105 CO 0.13 0.50 1.59 -2.30 0.02 0.00 0.00 175.30 175.23 2vpf n PRO 106 N 1.09 2.67 0.00 3.54 -0.02 -1.26 -0.71 135.00 140.32 2vpf n PRO 106 Ca -0.16 0.95 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 2vpf n PRO 106 Cb 0.52 -2.73 0.22 0.00 -0.02 0.00 0.00 33.50 31.50 2vpf n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11