#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 3.97 0.07 6.31 1.01 -1.26 -4.99 120.40 125.50 2vpf s VAL 14 Ca 0.00 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 63.05 2vpf s VAL 14 Cb 0.00 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.43 2vpf s VAL 14 CO 0.00 0.05 1.43 -0.69 0.00 0.00 0.00 175.10 175.89 2vpf s VAL 15 N 1.68 3.43 0.55 2.92 1.01 -1.26 -4.97 120.40 123.76 2vpf s VAL 15 Ca 0.59 0.94 -0.18 0.00 0.00 0.00 0.00 61.98 63.34 2vpf s VAL 15 Cb -0.29 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2vpf s VAL 15 CO 0.27 0.04 1.08 -0.54 0.00 0.00 0.00 175.10 175.94 2vpf s LYS 16 N 1.79 3.41 0.18 2.72 -0.14 -1.26 -4.89 119.74 121.54 2vpf s LYS 16 Ca 0.65 1.39 -0.15 0.00 -1.36 0.00 0.00 55.97 56.50 2vpf s LYS 16 Cb -0.35 -2.03 0.14 0.00 -1.68 0.00 0.00 37.83 33.91 2vpf s LYS 16 CO 0.29 -0.76 1.68 0.35 -0.76 0.00 0.00 175.35 176.15 2vpf h PHE 17 N 0.94 -0.10 0.00 3.18 3.57 -2.00 -2.53 116.94 120.00 2vpf h PHE 17 Ca -0.49 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 2vpf h PHE 17 Cb 1.24 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2vpf h PHE 17 CO 0.55 -0.13 -0.47 0.52 -2.23 0.00 0.00 178.31 176.56 2vpf h MET 18 N 0.07 0.00 -0.37 1.11 2.86 -1.98 0.14 114.93 116.76 2vpf h MET 18 Ca 0.22 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2vpf h MET 18 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2vpf h MET 18 CO -0.40 0.47 -0.09 -0.44 1.06 0.00 0.00 176.91 177.51 2vpf h ASP 19 N 0.00 0.72 -0.23 1.22 3.32 -1.89 0.37 116.42 119.93 2vpf h ASP 19 Ca -0.00 -0.36 -0.05 0.00 0.02 0.00 0.00 57.03 56.63 2vpf h ASP 19 Cb 0.85 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 2vpf h ASP 19 CO 0.06 0.92 -0.07 0.58 -1.72 0.00 0.00 179.24 179.01 2vpf h VAL 20 N 0.51 1.29 -0.46 -1.35 2.07 -1.18 0.31 116.25 117.45 2vpf h VAL 20 Ca 0.09 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.61 2vpf h VAL 20 Cb 0.60 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 2vpf h VAL 20 CO 0.04 0.33 0.06 0.22 0.02 0.00 0.00 177.57 178.24 2vpf h TYR 21 N 0.18 0.09 -0.14 1.57 3.20 -0.78 -1.60 116.97 119.48 2vpf h TYR 21 Ca 0.06 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.75 2vpf h TYR 21 Cb 0.53 0.03 0.01 0.00 1.54 0.00 0.00 36.73 38.84 2vpf h TYR 21 CO 0.05 -0.03 -0.75 0.37 -1.64 0.00 0.00 178.16 176.16 2vpf h GLN 22 N 0.19 0.70 0.00 1.82 4.15 -0.19 -3.31 115.11 118.47 2vpf h GLN 22 Ca 0.23 -0.56 -0.05 0.00 0.77 0.00 0.00 58.65 59.04 2vpf h GLN 22 Cb 0.31 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2vpf h GLN 22 CO -0.32 1.18 -0.23 0.00 -1.93 0.00 0.00 178.83 177.53 2vpf h ARG 23 N 0.48 0.00 -0.01 1.69 3.08 -0.52 -3.13 114.38 115.99 2vpf h ARG 23 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2vpf h ARG 23 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2vpf h ARG 23 CO 0.15 0.23 -0.42 -1.13 -1.07 0.00 0.00 179.97 177.72 2vpf n SER 24 N -3.79 1.02 -4.73 7.04 3.41 -0.64 -4.94 113.62 110.98 2vpf n SER 24 Ca -0.02 -0.81 -0.41 0.00 -0.26 0.00 0.00 58.87 57.37 2vpf n SER 24 Cb 0.33 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 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 -2.68 3.37 0.00 7.33 5.04 -1.18 -1.43 117.35 127.80 2vpf s TYR 25 Ca 0.18 1.34 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 2vpf s TYR 25 Cb 0.18 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 39.01 2vpf s TYR 25 CO 0.61 -1.45 0.00 0.00 -1.34 0.00 0.00 175.55 173.37 2vpf s HIS 27 N 0.00 -0.08 0.07 0.00 -3.43 -0.50 -4.89 115.29 106.46 2vpf s HIS 27 Ca 0.00 0.02 -0.31 0.00 -0.80 0.00 0.00 55.06 53.97 2vpf s HIS 27 Cb 0.00 0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 31.59 2vpf s HIS 27 CO 0.00 -0.22 1.67 -2.14 -2.00 0.00 0.00 174.74 172.05 2vpf s PRO 28 N -2.39 4.19 0.00 -0.38 0.02 -1.26 -0.71 135.00 134.48 2vpf s PRO 28 Ca 0.12 2.35 0.03 0.00 0.02 0.00 0.00 61.00 63.51 2vpf s PRO 28 Cb 0.02 -3.62 -0.01 0.00 0.02 0.00 0.00 34.50 30.91 2vpf s PRO 28 CO -0.04 -0.75 -0.09 -1.50 -0.33 0.00 0.00 177.00 174.29 2vpf s ILE 29 N 2.72 0.70 0.07 2.83 2.07 0.77 -4.85 121.20 125.51 2vpf s ILE 29 Ca 0.75 -0.50 -0.31 0.00 -1.41 0.00 0.00 60.65 59.17 2vpf s ILE 29 Cb -0.40 -0.61 -0.10 0.00 0.13 0.00 0.00 42.46 41.48 2vpf s ILE 29 CO 0.33 0.11 1.90 1.21 -1.91 0.00 0.00 174.94 176.58 2vpf n GLU 30 N 2.62 2.79 -4.61 3.50 2.13 -1.26 -2.09 120.64 123.72 2vpf n GLU 30 Ca -0.15 1.02 -0.25 0.00 0.66 0.00 0.00 57.16 58.44 2vpf n GLU 30 Cb 0.57 -2.94 -0.16 0.00 0.27 0.00 0.00 31.44 29.17 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 3.57 1.16 -0.13 6.31 2.01 0.49 -4.94 115.64 124.12 2vpf s THR 31 Ca 0.86 -0.50 -0.23 0.00 0.31 0.00 0.00 61.69 62.12 2vpf s THR 31 Cb -0.48 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 2vpf s THR 31 CO 0.40 0.36 0.72 -0.76 -0.69 0.00 0.00 174.62 174.65 2vpf s LEU 32 N 0.57 4.23 -0.04 4.42 2.01 -1.26 -1.31 118.68 127.30 2vpf s LEU 32 Ca -0.13 1.09 0.06 0.00 0.01 0.00 0.00 54.13 55.16 2vpf s LEU 32 Cb -0.15 -3.07 -0.01 0.00 0.01 0.00 0.00 46.19 42.97 2vpf s LEU 32 CO 0.04 -0.23 -0.22 -0.69 1.01 0.00 0.00 176.35 176.25 2vpf s VAL 33 N 1.46 1.80 0.32 -1.59 1.01 -0.54 -4.93 120.40 117.92 2vpf s VAL 33 Ca 0.35 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 2vpf s VAL 33 Cb -0.17 -1.53 -0.10 0.00 0.00 0.00 0.00 36.38 34.58 2vpf s VAL 33 CO 0.14 0.51 1.31 -0.62 0.00 0.00 0.00 175.10 176.44 2vpf s ASP 34 N -0.19 6.80 0.11 3.32 2.15 -1.26 -0.87 116.67 126.72 2vpf s ASP 34 Ca -0.01 2.65 -0.13 0.00 0.43 0.00 0.00 52.55 55.49 2vpf s ASP 34 Cb -0.12 -2.64 -0.10 0.00 -0.30 0.00 0.00 42.92 39.75 2vpf s ASP 34 CO 0.02 -0.53 1.38 0.40 -0.17 0.00 0.00 175.17 176.28 2vpf h ILE 35 N 3.11 1.29 -0.37 4.11 2.04 -1.37 -3.16 117.51 123.16 2vpf h ILE 35 Ca -0.48 -1.70 -0.05 0.00 1.00 0.00 0.00 64.86 63.63 2vpf h ILE 35 Cb 1.22 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2vpf h ILE 35 CO 0.67 0.55 0.03 0.15 0.00 0.00 0.00 178.15 179.54 2vpf h PHE 36 N 0.57 0.58 -0.20 1.37 3.57 -1.87 -0.55 116.94 120.41 2vpf h PHE 36 Ca 0.01 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.36 2vpf h PHE 36 Cb 1.11 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2vpf h PHE 36 CO 0.08 0.54 -0.31 0.37 -2.23 0.00 0.00 178.31 176.76 2vpf h GLN 37 N 0.54 0.41 0.00 1.11 4.15 -1.95 -2.67 115.11 116.70 2vpf h GLN 37 Ca 0.12 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2vpf h GLN 37 Cb 0.30 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2vpf h GLN 37 CO 0.01 0.68 -0.12 0.93 -1.93 0.00 0.00 178.83 178.39 2vpf h GLU 38 N 0.35 0.00 -2.07 1.69 4.39 -1.16 -3.35 114.58 114.43 2vpf h GLU 38 Ca 0.05 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.18 2vpf h GLU 38 Cb 0.73 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.98 2vpf h GLU 38 CO 0.06 0.12 -0.94 0.66 -1.16 0.00 0.00 179.01 177.75 2vpf n TYR 39 N -3.15 1.17 0.09 4.33 4.02 -0.35 -4.99 117.16 118.27 2vpf n TYR 39 Ca 0.03 -3.80 0.20 0.00 -0.01 0.00 0.00 57.90 54.32 2vpf n TYR 39 Cb 0.52 -0.43 0.70 0.00 -0.02 0.00 0.00 39.34 40.11 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 3.83 0.00 -0.01 -0.72 0.13 -1.63 -2.54 132.00 131.07 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 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2vpf h PRO 40 CO 0.60 0.00 -0.08 -0.25 -0.23 0.00 0.00 178.00 178.04 2vpf n ASP 41 N -3.51 1.34 -2.72 1.44 8.00 -1.26 -4.41 116.55 115.43 2vpf n ASP 41 Ca 0.08 -1.31 -0.29 0.00 0.71 0.00 0.00 54.79 53.98 2vpf n ASP 41 Cb 0.72 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.80 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 -0.08 2.99 0.00 -1.24 -0.58 -0.96 -4.72 120.64 116.06 2vpf n GLU 42 Ca 0.17 -2.43 0.12 0.00 -0.42 0.00 0.00 57.16 54.60 2vpf n GLU 42 Cb 0.35 -2.29 0.57 0.00 -0.57 0.00 0.00 31.44 29.50 2vpf n GLU 42 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2vpf n ILE 43 N 1.49 0.27 1.21 -3.67 -5.35 -1.26 -2.65 119.36 109.39 2vpf n ILE 43 Ca 0.53 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 63.21 2vpf n ILE 43 Cb 0.51 -0.65 0.35 0.00 -1.74 0.00 0.00 39.64 38.11 2vpf n ILE 43 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2vpf n GLU 44 N -1.42 0.74 -4.35 6.28 4.71 -1.26 -4.93 120.64 120.40 2vpf n GLU 44 Ca 0.08 -0.44 -0.27 0.00 -0.01 0.00 0.00 57.16 56.52 2vpf n GLU 44 Cb 0.25 -1.49 -0.11 0.00 -1.01 0.00 0.00 31.44 29.09 2vpf n GLU 44 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 2vpf s TYR 45 N -2.57 2.47 0.00 -0.32 1.51 -1.08 -4.32 117.35 113.05 2vpf s TYR 45 Ca 0.22 -0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.05 2vpf s TYR 45 Cb 0.19 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.79 2vpf s TYR 45 CO 0.55 0.50 -0.17 0.42 -1.11 0.00 0.00 175.55 175.74 2vpf s ILE 46 N -1.66 2.88 0.13 2.71 1.09 -0.22 -4.94 121.20 121.19 2vpf s ILE 46 Ca 0.23 -1.00 0.09 0.00 -1.10 0.00 0.00 60.65 58.86 2vpf s ILE 46 Cb -0.08 -2.18 -0.04 0.00 -1.06 0.00 0.00 42.46 39.10 2vpf s ILE 46 CO 0.12 0.44 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.88 2vpf s PHE 47 N -0.84 2.56 -0.07 3.97 0.08 -1.26 -0.08 117.98 122.34 2vpf s PHE 47 Ca 0.13 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 2vpf s PHE 47 Cb -0.11 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2vpf s PHE 47 CO 0.03 0.41 0.11 0.21 -0.10 0.00 0.00 175.22 175.88 2vpf s LYS 48 N -2.26 -0.02 0.76 0.44 2.20 -0.68 -2.69 119.74 117.50 2vpf s LYS 48 Ca 0.19 0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 56.13 2vpf s LYS 48 Cb -0.10 -0.44 0.06 0.00 -1.51 0.00 0.00 37.83 35.83 2vpf s LYS 48 CO 0.11 -0.33 1.13 -1.25 -0.36 0.00 0.00 175.35 174.65 2vpf s PRO 49 N 2.23 2.14 0.00 4.03 0.04 -1.26 -1.27 135.00 140.90 2vpf s PRO 49 Ca 0.04 1.42 0.27 0.00 0.04 0.00 0.00 61.00 62.77 2vpf s PRO 49 Cb -0.12 -1.87 1.18 0.00 0.04 0.00 0.00 34.50 33.73 2vpf s PRO 49 CO -0.05 -1.77 1.88 -1.13 0.04 0.00 0.00 177.00 175.98 2vpf n SER 50 N -3.21 0.00 -4.00 6.66 3.41 -1.10 -4.89 113.62 110.50 2vpf n SER 50 Ca 0.11 0.45 -0.08 0.00 -0.26 0.00 0.00 58.87 59.09 2vpf n SER 50 Cb 0.52 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.89 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 -3.01 1.08 -0.24 0.00 -7.23 -0.05 -4.88 120.40 106.06 2vpf s VAL 52 Ca -0.02 -1.50 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 2vpf s VAL 52 Cb 0.01 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 2vpf s VAL 52 CO -0.07 -0.39 0.77 -2.16 -0.31 0.00 0.00 175.10 172.94 2vpf s PRO 53 N -2.31 4.17 -0.00 4.82 0.04 -1.26 -1.47 135.00 138.99 2vpf s PRO 53 Ca 0.03 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.91 2vpf s PRO 53 Cb -0.06 -3.64 -0.00 0.00 0.04 0.00 0.00 34.50 30.83 2vpf s PRO 53 CO 0.02 -0.48 -0.04 -0.51 0.04 0.00 0.00 177.00 176.03 2vpf s LEU 54 N 2.70 2.02 -0.16 -3.56 1.43 -0.43 -4.94 118.68 115.74 2vpf s LEU 54 Ca 0.32 -0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2vpf s LEU 54 Cb -0.15 -0.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.86 2vpf s LEU 54 CO 0.08 0.04 1.20 -0.04 0.23 0.00 0.00 176.35 177.86 2vpf s MET 55 N -0.14 4.26 0.02 1.70 -1.94 -1.26 -0.38 119.30 121.56 2vpf s MET 55 Ca 0.01 1.60 0.01 0.00 -1.71 0.00 0.00 55.69 55.60 2vpf s MET 55 Cb -0.02 -3.70 -0.01 0.00 2.01 0.00 0.00 34.83 33.11 2vpf s MET 55 CO -0.00 -0.64 -0.04 1.03 -0.01 0.00 0.00 175.02 175.36 2vpf s ARG 56 N 3.19 0.31 0.29 2.03 1.81 -0.89 -0.37 118.95 125.33 2vpf s ARG 56 Ca 0.53 -0.40 -0.30 0.00 -1.72 0.00 0.00 55.73 53.84 2vpf s ARG 56 Cb -0.21 -0.14 -0.12 0.00 -0.45 0.00 0.00 34.95 34.04 2vpf s ARG 56 CO 0.14 0.02 1.59 0.00 -0.68 0.00 0.00 175.30 176.38 2vpf s GLY 58 N 0.48 0.38 0.00 0.00 0.00 0.11 -4.85 107.32 103.45 2vpf s GLY 58 Ca 0.64 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.62 2vpf s GLY 58 CO 0.49 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.59 2vpf n GLY 59 N -0.32 -1.11 3.61 0.20 0.00 -1.26 -1.40 105.19 104.90 2vpf n GLY 59 Ca -0.05 -2.13 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.25 -3.94 -3.31 0.00 3.02 -1.26 -4.97 115.26 102.54 2vpf n ASN 62 Ca -0.07 0.06 -0.01 0.00 -0.03 0.00 0.00 54.58 54.53 2vpf n ASN 62 Cb 0.59 -3.00 -0.04 0.00 -0.61 0.00 0.00 39.78 36.72 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 -2.56 -0.79 0.00 6.41 -1.08 -1.26 -5.05 116.67 112.34 2vpf s ASP 63 Ca 0.00 0.78 0.08 0.00 -0.52 0.00 0.00 52.55 52.89 2vpf s ASP 63 Cb 0.00 1.81 0.41 0.00 -1.46 0.00 0.00 42.92 43.68 2vpf s ASP 63 CO 0.00 -0.26 1.12 -0.62 0.52 0.00 0.00 175.17 175.92 2vpf n GLU 64 N 5.41 0.12 0.00 4.34 -0.58 -1.26 -1.54 120.64 127.13 2vpf n GLU 64 Ca -0.04 0.20 0.13 0.00 -0.42 0.00 0.00 57.16 57.03 2vpf n GLU 64 Cb 0.50 -1.50 0.32 0.00 -0.57 0.00 0.00 31.44 30.19 2vpf n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2vpf n GLY 65 N -0.59 -0.84 3.64 0.62 0.00 -1.26 -4.96 105.19 101.80 2vpf n GLY 65 Ca 0.04 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.69 2.94 -0.05 0.99 1.43 -0.59 -2.23 118.68 118.47 2vpf s LEU 66 Ca 0.19 -1.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.00 2vpf s LEU 66 Cb 0.19 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 45.24 2vpf s LEU 66 CO 0.59 -0.35 0.34 -1.83 0.23 0.00 0.00 176.35 175.34 2vpf s GLU 67 N -3.74 0.61 -0.30 1.70 -1.05 0.45 -4.83 118.70 111.55 2vpf s GLU 67 Ca 0.36 0.05 -0.26 0.00 -0.15 0.00 0.00 54.97 54.97 2vpf s GLU 67 Cb 0.04 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2vpf s GLU 67 CO 0.19 -0.15 0.92 0.00 0.95 0.00 0.00 175.26 177.18 2vpf s VAL 69 N 3.23 0.34 0.24 0.00 -7.23 -0.04 -4.89 120.40 112.04 2vpf s VAL 69 Ca 0.39 -1.58 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 2vpf s VAL 69 Cb -0.14 -1.21 -0.09 0.00 0.56 0.00 0.00 36.38 35.50 2vpf s VAL 69 CO 0.12 -0.81 1.23 -2.16 -0.31 0.00 0.00 175.10 173.18 2vpf s PRO 70 N -3.17 4.46 -0.00 4.82 0.04 -1.26 -0.61 135.00 139.28 2vpf s PRO 70 Ca 0.02 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2vpf s PRO 70 Cb 0.02 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 2vpf s PRO 70 CO -0.06 -0.10 0.03 0.25 0.04 0.00 0.00 177.00 177.16 2vpf n THR 71 N 1.95 0.00 -3.72 1.26 -2.24 0.97 -4.87 114.28 107.64 2vpf n THR 71 Ca 0.03 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 2vpf n THR 71 Cb 0.44 0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.96 0.28 0.26 -0.78 2.12 -1.16 -4.96 118.70 112.50 2vpf s GLU 72 Ca -0.00 0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.98 2vpf s GLU 72 Cb 0.01 -0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 2vpf s GLU 72 CO 0.05 -0.16 0.05 -1.83 -0.54 0.00 0.00 175.26 172.83 2vpf s GLU 73 N 1.29 1.44 0.02 4.30 -1.05 -1.26 0.85 118.70 124.30 2vpf s GLU 73 Ca -0.09 -1.77 -0.28 0.00 -0.15 0.00 0.00 54.97 52.68 2vpf s GLU 73 Cb -0.09 -0.53 0.08 0.00 -0.44 0.00 0.00 34.13 33.14 2vpf s GLU 73 CO -0.10 -0.20 0.68 -1.54 0.95 0.00 0.00 175.26 175.05 2vpf s SER 74 N -3.35 -0.59 0.48 0.83 1.04 -0.59 -4.84 113.70 106.68 2vpf s SER 74 Ca 0.34 0.38 -0.11 0.00 0.48 0.00 0.00 55.95 57.05 2vpf s SER 74 Cb 0.07 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 2vpf s SER 74 CO 0.12 -0.73 0.87 0.20 0.98 0.00 0.00 173.24 174.68 2vpf s ASN 75 N -1.85 6.44 0.00 7.02 0.01 -1.26 -0.96 114.94 124.34 2vpf s ASN 75 Ca -0.05 1.24 0.04 0.00 -0.71 0.00 0.00 52.86 53.39 2vpf s ASN 75 Cb -0.00 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 2vpf s ASN 75 CO -0.00 -0.56 -0.13 -0.51 -1.51 0.00 0.00 177.10 174.38 2vpf s ILE 76 N -2.65 1.06 -0.09 0.60 2.07 -0.11 -4.90 121.20 117.19 2vpf s ILE 76 Ca 0.53 -0.69 0.04 0.00 -1.41 0.00 0.00 60.65 59.12 2vpf s ILE 76 Cb -0.10 -0.91 -0.01 0.00 0.13 0.00 0.00 42.46 41.57 2vpf s ILE 76 CO 0.38 0.21 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.52 2vpf s THR 77 N -0.46 2.34 0.05 4.00 2.01 -1.26 -1.31 115.64 121.01 2vpf s THR 77 Ca 0.04 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.12 2vpf s THR 77 Cb -0.06 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 2vpf s THR 77 CO -0.00 0.56 -0.07 -0.04 -0.69 0.00 0.00 174.62 174.38 2vpf s MET 78 N 0.12 0.59 -0.41 4.92 1.00 -0.08 -4.94 119.30 120.49 2vpf s MET 78 Ca -0.11 -0.92 -0.23 0.00 0.00 0.00 0.00 55.69 54.44 2vpf s MET 78 Cb -0.16 -0.19 0.02 0.00 0.00 0.00 0.00 34.83 34.50 2vpf s MET 78 CO 0.06 0.01 0.78 -0.65 0.00 0.00 0.00 175.02 175.22 2vpf s GLN 79 N -2.28 3.57 -0.04 2.03 -0.21 -1.26 -1.11 119.66 120.35 2vpf s GLN 79 Ca -0.04 0.08 0.06 0.00 0.02 0.00 0.00 55.36 55.48 2vpf s GLN 79 Cb -0.05 -3.88 -0.02 0.00 1.00 0.00 0.00 33.01 30.06 2vpf s GLN 79 CO -0.02 -0.99 -0.23 0.42 -2.12 0.00 0.00 175.29 172.36 2vpf s ILE 80 N 3.20 2.30 -0.15 1.08 -1.09 0.11 -4.90 121.20 121.75 2vpf s ILE 80 Ca 0.30 -1.00 -0.28 0.00 -2.23 0.00 0.00 60.65 57.45 2vpf s ILE 80 Cb -0.13 -1.84 -0.01 0.00 -1.58 0.00 0.00 42.46 38.91 2vpf s ILE 80 CO 0.20 0.58 0.96 -0.32 -1.23 0.00 0.00 174.94 175.12 2vpf s MET 81 N -0.43 4.36 -0.22 2.79 -2.45 -0.40 -1.57 119.30 121.38 2vpf s MET 81 Ca 0.04 1.27 -0.06 0.00 -1.25 0.00 0.00 55.69 55.69 2vpf s MET 81 Cb -0.12 -3.57 -0.03 0.00 1.25 0.00 0.00 34.83 32.37 2vpf s MET 81 CO 0.01 -0.37 0.04 0.50 1.05 0.00 0.00 175.02 176.26 2vpf s ARG 82 N 2.24 3.69 -0.17 4.11 3.52 -0.38 -1.68 118.95 130.28 2vpf s ARG 82 Ca 0.44 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.56 2vpf s ARG 82 Cb -0.17 -3.21 -0.00 0.00 -1.56 0.00 0.00 34.95 30.00 2vpf s ARG 82 CO 0.14 -0.04 -0.13 0.42 -0.81 0.00 0.00 175.30 174.89 2vpf s ILE 83 N 1.19 2.85 -0.29 4.11 1.01 0.88 -1.68 121.20 129.27 2vpf s ILE 83 Ca 0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 2vpf s ILE 83 Cb -0.14 -2.23 0.03 0.00 0.01 0.00 0.00 42.46 40.13 2vpf s ILE 83 CO 0.03 0.50 0.01 -0.75 0.00 0.00 0.00 174.94 174.72 2vpf s LYS 84 N 0.96 2.68 0.15 2.79 2.20 -0.75 -1.05 119.74 126.72 2vpf s LYS 84 Ca -0.02 -1.10 -0.34 0.00 -0.36 0.00 0.00 55.97 54.15 2vpf s LYS 84 Cb -0.15 -3.19 -0.14 0.00 -1.51 0.00 0.00 37.83 32.84 2vpf s LYS 84 CO -0.02 -0.53 1.50 -2.30 -0.36 0.00 0.00 175.35 173.64 2vpf n PRO 85 N 4.70 1.89 -0.99 4.03 -0.02 -1.26 -2.06 135.00 141.29 2vpf n PRO 85 Ca -0.14 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2vpf n PRO 85 Cb 0.45 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 3.01 0.00 -2.27 6.00 8.25 -1.26 -4.83 115.22 124.12 2vpf n HIS 86 Ca 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.60 2vpf n HIS 86 Cb 0.27 -1.30 -0.02 0.00 1.12 0.00 0.00 29.99 30.06 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 -0.42 0.24 0.00 -0.41 6.02 -0.87 -5.16 117.38 116.78 2vpf n GLN 87 Ca 0.00 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.51 2vpf n GLN 87 Cb 0.32 0.21 0.00 0.00 1.02 0.00 0.00 30.24 31.79 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 -0.03 3.43 2.89 1.08 0.00 -1.20 -4.86 105.19 106.50 2vpf n GLY 88 Ca -0.14 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 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 -4.80 1.12 -0.04 1.61 1.11 -1.26 -1.80 119.66 115.60 2vpf s GLN 89 Ca 0.00 -0.15 0.01 0.00 0.01 0.00 0.00 55.36 55.24 2vpf s GLN 89 Cb 0.00 -1.18 0.02 0.00 -1.01 0.00 0.00 33.01 30.84 2vpf s GLN 89 CO 0.00 -0.17 -0.06 -1.01 0.01 0.00 0.00 175.29 174.06 2vpf s HIS 90 N 1.36 0.87 -0.27 0.91 3.76 -0.68 -4.96 115.29 116.28 2vpf s HIS 90 Ca -0.03 -0.26 -0.25 0.00 -0.15 0.00 0.00 55.06 54.37 2vpf s HIS 90 Cb -0.14 -0.72 -0.00 0.00 1.11 0.00 0.00 32.58 32.83 2vpf s HIS 90 CO -0.03 -0.19 0.84 0.42 -0.85 0.00 0.00 174.74 174.93 2vpf s ILE 91 N 0.78 4.79 0.28 0.60 1.01 -1.26 -1.25 121.20 126.15 2vpf s ILE 91 Ca -0.12 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.04 2vpf s ILE 91 Cb -0.14 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2vpf s ILE 91 CO 0.01 -0.16 0.18 -0.83 0.00 0.00 0.00 174.94 174.14 2vpf s GLY 92 N 1.45 1.95 -0.04 6.18 0.00 -0.61 -4.92 107.32 111.33 2vpf s GLY 92 Ca 0.35 -1.82 -0.26 0.00 0.00 0.00 0.00 44.72 42.99 2vpf s GLY 92 CO 0.09 -1.50 0.79 -0.54 0.00 0.00 0.00 173.10 171.94 2vpf s GLU 93 N -3.83 4.48 -0.02 2.90 2.02 -1.26 -0.71 118.70 122.29 2vpf s GLU 93 Ca 0.38 1.07 0.04 0.00 0.02 0.00 0.00 54.97 56.48 2vpf s GLU 93 Cb 0.05 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.83 2vpf s GLU 93 CO 0.18 0.05 -0.13 -1.64 0.02 0.00 0.00 175.26 173.74 2vpf s MET 94 N 0.79 1.18 -0.09 1.61 -1.94 -0.27 -4.95 119.30 115.63 2vpf s MET 94 Ca 0.42 -0.48 0.01 0.00 -1.71 0.00 0.00 55.69 53.94 2vpf s MET 94 Cb -0.19 -1.12 -0.02 0.00 2.01 0.00 0.00 34.83 35.51 2vpf s MET 94 CO 0.22 0.26 -0.12 -1.12 -0.01 0.00 0.00 175.02 174.24 2vpf s SER 95 N -0.19 4.14 0.10 3.03 0.01 -1.26 -0.91 113.70 118.62 2vpf s SER 95 Ca 0.03 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.15 2vpf s SER 95 Cb -0.07 -1.23 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 2vpf s SER 95 CO -0.00 0.27 -0.20 -0.36 0.41 0.00 0.00 173.24 173.36 2vpf s PHE 96 N -0.26 1.73 0.04 2.43 0.40 -0.43 -4.96 117.98 116.92 2vpf s PHE 96 Ca 0.02 -0.42 -0.23 0.00 -0.60 0.00 0.00 56.93 55.69 2vpf s PHE 96 Cb -0.13 -0.95 -0.06 0.00 0.51 0.00 0.00 43.02 42.40 2vpf s PHE 96 CO 0.03 0.19 0.70 -0.51 0.70 0.00 0.00 175.22 176.33 2vpf s LEU 97 N -1.90 4.45 0.16 -0.37 1.43 -1.26 -0.94 118.68 120.25 2vpf s LEU 97 Ca 0.06 1.36 0.08 0.00 -1.03 0.00 0.00 54.13 54.59 2vpf s LEU 97 Cb -0.10 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2vpf s LEU 97 CO 0.04 0.07 -0.06 -1.10 0.23 0.00 0.00 176.35 175.53 2vpf s GLN 98 N -0.24 2.20 -0.34 1.70 -0.21 -0.13 -4.87 119.66 117.77 2vpf s GLN 98 Ca 0.35 -1.15 -0.12 0.00 0.02 0.00 0.00 55.36 54.46 2vpf s GLN 98 Cb -0.20 -2.27 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 2vpf s GLN 98 CO 0.21 0.46 0.23 -1.01 -2.12 0.00 0.00 175.29 173.06 2vpf s HIS 99 N -1.58 3.22 -0.13 0.91 3.76 0.50 -1.54 115.29 120.44 2vpf s HIS 99 Ca 0.25 -0.28 0.16 0.00 -0.15 0.00 0.00 55.06 55.04 2vpf s HIS 99 Cb -0.10 -2.46 -0.08 0.00 1.11 0.00 0.00 32.58 31.06 2vpf s HIS 99 CO 0.16 -0.38 1.02 -0.91 -0.85 0.00 0.00 174.74 173.78 2vpf h ASN 100 N 8.47 0.00 -4.36 1.40 4.21 0.13 -3.41 115.58 122.01 2vpf h ASN 100 Ca -0.31 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.05 2vpf h ASN 100 Cb 1.15 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 38.12 2vpf h ASN 100 CO 0.63 0.56 -0.39 -0.54 -1.29 0.00 0.00 177.43 176.39 2vpf s LYS 101 N -2.94 0.43 0.18 0.81 1.02 -1.00 -4.92 119.74 113.33 2vpf s LYS 101 Ca -0.01 0.06 0.05 0.00 0.02 0.00 0.00 55.97 56.09 2vpf s LYS 101 Cb 0.08 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.54 2vpf s LYS 101 CO 0.79 -0.09 -0.08 0.00 -0.92 0.00 0.00 175.35 175.05 2vpf s GLU 103 N -3.76 0.74 -0.26 0.00 2.12 0.22 -4.86 118.70 112.91 2vpf s GLU 103 Ca 0.21 -0.19 -0.20 0.00 0.36 0.00 0.00 54.97 55.15 2vpf s GLU 103 Cb 0.03 0.33 -0.02 0.00 0.26 0.00 0.00 34.13 34.73 2vpf s GLU 103 CO 0.04 -0.22 0.62 0.00 -0.54 0.00 0.00 175.26 175.16 2vpf s ARG 105 N 2.49 0.83 0.88 0.00 1.70 -0.67 -4.83 118.95 119.34 2vpf s ARG 105 Ca 0.26 -1.35 -0.14 0.00 -0.47 0.00 0.00 55.73 54.03 2vpf s ARG 105 Cb -0.15 0.24 0.01 0.00 -0.57 0.00 0.00 34.95 34.48 2vpf s ARG 105 CO 0.09 -0.22 0.47 -2.30 -1.08 0.00 0.00 175.30 172.26 2vpf n PRO 106 N -0.03 -0.09 0.00 3.89 -0.02 -1.26 -0.41 135.00 137.08 2vpf n PRO 106 Ca -0.09 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.54 2vpf n PRO 106 Cb 0.63 -1.87 0.19 0.00 -0.02 0.00 0.00 33.50 32.43 2vpf n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11