#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 4.88 0.06 3.84 1.01 -1.26 -5.02 120.40 123.91 2vpf s VAL 14 Ca 0.00 1.97 -0.31 0.00 0.00 0.00 0.00 61.98 63.64 2vpf s VAL 14 Cb 0.00 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.04 2vpf s VAL 14 CO 0.00 0.18 1.36 -0.69 0.00 0.00 0.00 175.10 175.95 2vpf s VAL 15 N 0.93 3.60 0.43 2.92 1.01 -1.26 -5.00 120.40 123.03 2vpf s VAL 15 Ca 0.50 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 63.34 2vpf s VAL 15 Cb -0.21 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 2vpf s VAL 15 CO 0.27 0.05 1.06 -0.54 0.00 0.00 0.00 175.10 175.94 2vpf s LYS 16 N 1.63 4.00 0.22 2.72 -0.14 -1.26 -4.84 119.74 122.06 2vpf s LYS 16 Ca 0.63 1.51 -0.12 0.00 -1.36 0.00 0.00 55.97 56.64 2vpf s LYS 16 Cb -0.33 -2.40 0.28 0.00 -1.68 0.00 0.00 37.83 33.70 2vpf s LYS 16 CO 0.28 -0.29 1.64 0.35 -0.76 0.00 0.00 175.35 176.57 2vpf h PHE 17 N 2.17 -0.22 -0.28 3.18 3.57 -1.99 -0.04 116.94 123.33 2vpf h PHE 17 Ca -0.49 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 2vpf h PHE 17 Cb 1.22 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 2vpf h PHE 17 CO 0.57 -0.24 0.03 1.98 -2.23 0.00 0.00 178.31 178.41 2vpf h MET 18 N 0.04 0.41 -0.08 1.11 4.05 -1.98 -0.66 114.93 117.81 2vpf h MET 18 Ca 0.32 -0.07 -0.11 0.00 -0.28 0.00 0.00 59.70 59.56 2vpf h MET 18 Cb 0.51 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2vpf h MET 18 CO -0.62 0.41 -0.38 -0.44 0.23 0.00 0.00 176.91 176.11 2vpf h ASP 19 N 0.40 0.48 -0.37 1.39 3.32 -1.42 -1.77 116.42 118.45 2vpf h ASP 19 Ca 0.09 -0.65 -0.05 0.00 0.02 0.00 0.00 57.03 56.45 2vpf h ASP 19 Cb 0.23 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2vpf h ASP 19 CO 0.00 1.05 0.04 0.58 -1.72 0.00 0.00 179.24 179.19 2vpf h VAL 20 N -0.06 1.24 -0.59 -1.35 2.07 -1.20 0.39 116.25 116.75 2vpf h VAL 20 Ca -0.03 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.64 2vpf h VAL 20 Cb 1.03 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2vpf h VAL 20 CO 0.08 0.30 0.35 0.22 0.02 0.00 0.00 177.57 178.54 2vpf h TYR 21 N 0.45 0.66 -0.23 1.57 3.20 -1.14 -0.66 116.97 120.82 2vpf h TYR 21 Ca 0.11 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.86 2vpf h TYR 21 Cb 0.39 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2vpf h TYR 21 CO 0.03 0.36 -0.42 1.96 -1.64 0.00 0.00 178.16 178.45 2vpf h GLN 22 N 0.69 0.69 0.00 1.82 4.20 -1.10 -3.27 115.11 118.14 2vpf h GLN 22 Ca 0.24 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2vpf h GLN 22 Cb 0.05 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2vpf h GLN 22 CO -0.11 1.05 -0.19 0.00 -0.67 0.00 0.00 178.83 178.90 2vpf h ARG 23 N 0.40 0.00 0.00 1.46 3.08 -0.69 -3.30 114.38 115.33 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 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2vpf h ARG 23 CO 0.09 0.19 -0.88 0.66 -1.07 0.00 0.00 179.97 178.96 2vpf h SER 24 N 0.00 0.00 -2.89 7.04 4.64 -1.17 -3.48 113.55 117.68 2vpf h SER 24 Ca -0.00 -0.06 -0.53 0.00 -0.47 0.00 0.00 61.79 60.73 2vpf h SER 24 Cb 0.56 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.69 2vpf h SER 24 CO 0.03 0.03 0.82 -0.47 -0.87 0.00 0.00 176.83 176.36 2vpf s TYR 25 N -3.31 3.12 0.00 4.77 5.04 -1.23 -1.72 117.35 124.01 2vpf s TYR 25 Ca 0.01 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.40 2vpf s TYR 25 Cb 0.10 -3.82 0.00 0.00 0.35 0.00 0.00 41.96 38.59 2vpf s TYR 25 CO 0.77 -2.99 0.00 0.00 -1.34 0.00 0.00 175.55 172.00 2vpf s HIS 27 N 0.00 -0.17 0.13 0.00 -3.43 -0.65 -4.90 115.29 106.26 2vpf s HIS 27 Ca 0.00 0.00 -0.31 0.00 -0.80 0.00 0.00 55.06 53.96 2vpf s HIS 27 Cb 0.00 0.57 -0.08 0.00 -1.43 0.00 0.00 32.58 31.64 2vpf s HIS 27 CO 0.00 -0.52 1.32 -2.14 -2.00 0.00 0.00 174.74 171.40 2vpf s PRO 28 N -2.91 4.37 0.05 -0.38 0.02 -1.26 -1.18 135.00 133.71 2vpf s PRO 28 Ca 0.10 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.16 2vpf s PRO 28 Cb 0.00 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 2vpf s PRO 28 CO -0.03 -0.34 -0.13 -1.50 -0.33 0.00 0.00 177.00 174.67 2vpf s ILE 29 N 0.80 1.02 0.07 2.83 2.07 0.55 -4.84 121.20 123.70 2vpf s ILE 29 Ca 0.61 -1.06 -0.31 0.00 -1.41 0.00 0.00 60.65 58.48 2vpf s ILE 29 Cb -0.35 -0.95 -0.08 0.00 0.13 0.00 0.00 42.46 41.20 2vpf s ILE 29 CO 0.32 -0.10 1.68 -0.70 -1.91 0.00 0.00 174.94 174.23 2vpf s GLU 30 N -1.32 4.19 -0.05 3.50 2.12 -1.26 -1.64 118.70 124.25 2vpf s GLU 30 Ca -0.01 2.36 0.02 0.00 0.36 0.00 0.00 54.97 57.70 2vpf s GLU 30 Cb -0.08 -3.62 0.02 0.00 0.26 0.00 0.00 34.13 30.70 2vpf s GLU 30 CO 0.01 -0.75 -0.07 0.99 -0.54 0.00 0.00 175.26 174.90 2vpf s THR 31 N 2.73 0.71 -0.37 -1.70 2.01 -0.45 -4.95 115.64 113.62 2vpf s THR 31 Ca 0.75 -0.25 -0.21 0.00 0.31 0.00 0.00 61.69 62.29 2vpf s THR 31 Cb -0.40 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.42 2vpf s THR 31 CO 0.33 0.26 0.66 -0.76 -0.69 0.00 0.00 174.62 174.42 2vpf s LEU 32 N 0.72 4.27 -0.13 4.42 1.43 -1.26 -1.05 118.68 127.07 2vpf s LEU 32 Ca -0.11 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2vpf s LEU 32 Cb -0.14 -2.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 2vpf s LEU 32 CO 0.01 -0.65 -0.14 -0.69 0.23 0.00 0.00 176.35 175.11 2vpf s VAL 33 N 2.80 2.92 0.08 -1.59 1.01 -0.18 -4.91 120.40 120.53 2vpf s VAL 33 Ca 0.25 -0.70 -0.31 0.00 0.00 0.00 0.00 61.98 61.22 2vpf s VAL 33 Cb -0.14 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 2vpf s VAL 33 CO 0.16 0.52 1.38 -0.62 0.00 0.00 0.00 175.10 176.54 2vpf s ASP 34 N 0.43 6.86 0.19 3.32 2.15 -1.26 -1.37 116.67 126.98 2vpf s ASP 34 Ca -0.11 2.23 -0.10 0.00 0.43 0.00 0.00 52.55 55.01 2vpf s ASP 34 Cb -0.16 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 40.00 2vpf s ASP 34 CO 0.05 -0.65 1.77 0.40 -0.17 0.00 0.00 175.17 176.57 2vpf h ILE 35 N 4.48 1.24 0.00 4.11 2.04 -1.62 -2.55 117.51 125.21 2vpf h ILE 35 Ca -0.41 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 2vpf h ILE 35 Cb 1.20 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 2vpf h ILE 35 CO 0.87 0.29 -0.13 0.15 0.00 0.00 0.00 178.15 179.33 2vpf h PHE 36 N 1.00 0.00 -0.09 1.37 3.57 -1.84 -0.24 116.94 120.71 2vpf h PHE 36 Ca 0.24 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.58 2vpf h PHE 36 Cb 0.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2vpf h PHE 36 CO 0.01 0.13 -0.63 0.37 -2.23 0.00 0.00 178.31 175.96 2vpf h GLN 37 N 0.00 0.32 -0.09 1.11 4.15 -1.85 -2.64 115.11 116.11 2vpf h GLN 37 Ca -0.00 -0.23 -0.19 0.00 0.77 0.00 0.00 58.65 59.00 2vpf h GLN 37 Cb 0.29 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 2vpf h GLN 37 CO 0.02 0.85 -0.73 0.93 -1.93 0.00 0.00 178.83 177.97 2vpf h GLU 38 N 0.23 0.47 -2.36 1.69 4.39 -0.87 -3.38 114.58 114.75 2vpf h GLU 38 Ca -0.01 -0.38 -0.60 0.00 0.34 0.00 0.00 59.36 58.72 2vpf h GLU 38 Cb 1.16 0.08 -0.41 0.00 -0.10 0.00 0.00 28.75 29.48 2vpf h GLU 38 CO 0.10 1.01 -0.73 0.66 -1.16 0.00 0.00 179.01 178.89 2vpf n TYR 39 N -3.86 2.32 0.43 4.33 4.01 -0.51 -4.98 117.16 118.90 2vpf n TYR 39 Ca -0.05 -3.99 0.05 0.00 -0.16 0.00 0.00 57.90 53.75 2vpf n TYR 39 Cb 0.71 -0.45 0.23 0.00 -0.31 0.00 0.00 39.34 39.51 2vpf n TYR 39 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2vpf n PRO 40 N 1.39 0.12 0.00 -0.72 -0.04 -1.00 -2.21 135.00 132.54 2vpf n PRO 40 Ca 0.26 0.21 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 2vpf n PRO 40 Cb 0.43 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.93 2vpf n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2vpf n ASP 41 N -1.30 0.57 -2.02 3.54 8.00 -1.26 -4.42 116.55 119.66 2vpf n ASP 41 Ca 0.04 -0.57 -0.17 0.00 0.71 0.00 0.00 54.79 54.80 2vpf n ASP 41 Cb 0.08 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 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 -0.94 1.89 0.30 -1.24 -0.58 -0.94 -4.65 120.64 114.47 2vpf n GLU 42 Ca 0.13 -1.53 0.16 0.00 -0.42 0.00 0.00 57.16 55.49 2vpf n GLU 42 Cb 0.30 -1.72 0.91 0.00 -0.57 0.00 0.00 31.44 30.37 2vpf n GLU 42 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2vpf h ILE 43 N 1.36 0.43 0.00 -3.67 -2.65 -1.86 -2.94 117.51 108.18 2vpf h ILE 43 Ca 0.27 -0.16 0.00 0.00 1.03 0.00 0.00 64.86 66.00 2vpf h ILE 43 Cb 0.93 1.11 0.00 0.00 -2.05 0.00 0.00 36.82 36.81 2vpf h ILE 43 CO 0.65 0.03 0.00 -0.62 0.03 0.00 0.00 178.15 178.25 2vpf n GLU 44 N -3.63 0.24 -4.43 0.16 -0.58 -1.26 -4.89 120.64 106.25 2vpf n GLU 44 Ca -0.03 0.20 -0.25 0.00 -0.42 0.00 0.00 57.16 56.66 2vpf n GLU 44 Cb 0.13 -1.78 -0.11 0.00 -0.57 0.00 0.00 31.44 29.11 2vpf n GLU 44 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2vpf s TYR 45 N -3.09 2.24 -0.13 -0.32 1.51 -1.11 -4.80 117.35 111.64 2vpf s TYR 45 Ca 0.11 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 2vpf s TYR 45 Cb 0.13 -1.05 -0.04 0.00 -0.11 0.00 0.00 41.96 40.89 2vpf s TYR 45 CO 0.59 0.56 0.04 0.42 -1.11 0.00 0.00 175.55 176.06 2vpf s ILE 46 N -2.05 4.66 -0.06 2.71 1.01 -0.15 -4.94 121.20 122.38 2vpf s ILE 46 Ca 0.24 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 2vpf s ILE 46 Cb -0.06 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2vpf s ILE 46 CO 0.11 0.56 0.16 -0.36 0.00 0.00 0.00 174.94 175.41 2vpf s PHE 47 N -0.43 3.55 -0.07 3.97 0.08 -1.26 -0.48 117.98 123.34 2vpf s PHE 47 Ca 0.09 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.57 2vpf s PHE 47 Cb -0.12 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 2vpf s PHE 47 CO 0.02 0.68 -0.08 0.21 -0.10 0.00 0.00 175.22 175.95 2vpf s LYS 48 N -1.53 1.28 0.88 0.44 2.20 -0.08 -2.47 119.74 120.47 2vpf s LYS 48 Ca 0.22 -0.24 -0.11 0.00 -0.36 0.00 0.00 55.97 55.48 2vpf s LYS 48 Cb -0.12 -1.21 0.12 0.00 -1.51 0.00 0.00 37.83 35.11 2vpf s LYS 48 CO 0.12 -0.09 1.16 -1.25 -0.36 0.00 0.00 175.35 174.93 2vpf s PRO 49 N 1.05 1.23 0.02 4.03 0.04 -1.26 -0.68 135.00 139.43 2vpf s PRO 49 Ca -0.08 1.61 0.28 0.00 0.04 0.00 0.00 61.00 62.84 2vpf s PRO 49 Cb -0.14 -1.75 1.16 0.00 0.04 0.00 0.00 34.50 33.81 2vpf s PRO 49 CO -0.00 -2.48 1.88 -1.13 0.04 0.00 0.00 177.00 175.30 2vpf n SER 50 N -3.93 0.07 -4.05 6.66 3.41 -1.03 -4.83 113.62 109.91 2vpf n SER 50 Ca 0.12 0.51 -0.08 0.00 -0.26 0.00 0.00 58.87 59.16 2vpf n SER 50 Cb 0.52 -0.52 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 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 -3.07 0.86 -0.36 0.00 -7.23 -0.47 -4.91 120.40 105.21 2vpf s VAL 52 Ca -0.01 -1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 58.57 2vpf s VAL 52 Cb 0.02 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.93 2vpf s VAL 52 CO -0.07 -0.41 0.79 -2.16 -0.31 0.00 0.00 175.10 172.95 2vpf s PRO 53 N -2.10 3.77 0.04 4.82 0.04 -1.26 -1.01 135.00 139.31 2vpf s PRO 53 Ca -0.02 0.34 0.05 0.00 0.04 0.00 0.00 61.00 61.42 2vpf s PRO 53 Cb -0.07 -3.80 -0.02 0.00 0.04 0.00 0.00 34.50 30.64 2vpf s PRO 53 CO 0.01 -0.84 -0.16 -0.51 0.04 0.00 0.00 177.00 175.54 2vpf s LEU 54 N 3.11 2.18 -0.07 -3.56 1.43 -0.22 -4.93 118.68 116.62 2vpf s LEU 54 Ca 0.32 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 2vpf s LEU 54 Cb -0.13 -0.68 -0.03 0.00 0.03 0.00 0.00 46.19 45.38 2vpf s LEU 54 CO 0.17 0.06 1.14 -0.04 0.23 0.00 0.00 176.35 177.90 2vpf s MET 55 N -1.18 4.37 0.01 1.70 -1.94 -1.26 -1.34 119.30 119.66 2vpf s MET 55 Ca 0.03 1.58 -0.00 0.00 -1.71 0.00 0.00 55.69 55.59 2vpf s MET 55 Cb -0.08 -3.55 -0.01 0.00 2.01 0.00 0.00 34.83 33.19 2vpf s MET 55 CO 0.01 -0.40 -0.02 1.03 -0.01 0.00 0.00 175.02 175.63 2vpf s ARG 56 N 2.15 0.21 0.26 2.03 1.81 -0.65 -0.44 118.95 124.32 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 -0.23 0.07 -0.11 0.00 -0.45 0.00 0.00 34.95 34.24 2vpf s ARG 56 CO 0.21 -0.03 1.58 0.00 -0.68 0.00 0.00 175.30 176.37 2vpf s GLY 58 N 0.60 0.28 0.00 0.00 0.00 -0.33 -4.84 107.32 103.03 2vpf s GLY 58 Ca 0.64 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.73 2vpf s GLY 58 CO 0.44 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.80 2vpf n GLY 59 N -0.46 -1.80 3.35 0.20 0.00 -1.26 -1.63 105.19 103.58 2vpf n GLY 59 Ca -0.04 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.61 -4.82 0.00 0.00 3.02 -1.26 -4.95 115.26 105.64 2vpf n ASN 62 Ca 0.04 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 2vpf n ASN 62 Cb 0.36 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.19 2vpf n ASN 62 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2vpf n ASP 63 N -2.42 0.00 0.00 6.41 -0.08 -1.26 -5.05 116.55 114.15 2vpf n ASP 63 Ca -0.05 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.29 2vpf n ASP 63 Cb 0.57 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.37 2vpf n ASP 63 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2vpf n GLU 64 N 0.00 0.18 -0.02 -0.67 1.02 -1.26 -1.56 120.64 118.34 2vpf n GLU 64 Ca 0.00 0.17 0.13 0.00 -0.02 0.00 0.00 57.16 57.44 2vpf n GLU 64 Cb 0.00 -1.50 0.57 0.00 -0.02 0.00 0.00 31.44 30.49 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 -0.13 -0.16 3.35 0.62 0.00 -1.26 -4.93 105.19 102.68 2vpf n GLY 65 Ca 0.06 -0.38 -0.19 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 -1.89 2.53 0.03 0.99 1.43 -0.60 -1.07 118.68 120.11 2vpf s LEU 66 Ca 0.38 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 2vpf s LEU 66 Cb 0.20 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 2vpf s LEU 66 CO 0.32 -0.13 -0.06 -1.83 0.23 0.00 0.00 176.35 174.88 2vpf s GLU 67 N -3.43 0.45 -0.41 1.70 -1.05 -0.78 -4.78 118.70 110.40 2vpf s GLU 67 Ca 0.21 -0.70 -0.18 0.00 -0.15 0.00 0.00 54.97 54.15 2vpf s GLU 67 Cb -0.02 -0.15 0.02 0.00 -0.44 0.00 0.00 34.13 33.54 2vpf s GLU 67 CO 0.07 0.01 0.49 0.00 0.95 0.00 0.00 175.26 176.79 2vpf s VAL 69 N 2.32 1.26 0.36 0.00 -7.23 -0.64 -4.86 120.40 111.61 2vpf s VAL 69 Ca 0.15 -1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 58.20 2vpf s VAL 69 Cb -0.16 -1.66 -0.09 0.00 0.56 0.00 0.00 36.38 35.03 2vpf s VAL 69 CO 0.15 -0.57 1.06 -2.16 -0.31 0.00 0.00 175.10 173.27 2vpf s PRO 70 N -3.15 4.31 0.00 4.82 0.04 -1.26 -0.94 135.00 138.82 2vpf s PRO 70 Ca 0.12 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.79 2vpf s PRO 70 Cb -0.02 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 2vpf s PRO 70 CO 0.02 -0.03 0.13 0.25 0.04 0.00 0.00 177.00 177.41 2vpf n THR 71 N 0.31 0.00 -3.72 1.26 -2.24 -0.16 -4.85 114.28 104.89 2vpf n THR 71 Ca 0.03 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 2vpf n THR 71 Cb 0.48 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.62 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 -1.26 0.55 0.18 -0.78 2.12 -1.20 -4.96 118.70 113.35 2vpf s GLU 72 Ca 0.01 0.53 0.03 0.00 0.36 0.00 0.00 54.97 55.90 2vpf s GLU 72 Cb 0.02 0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 2vpf s GLU 72 CO 0.12 -0.08 -0.04 -1.21 -0.54 0.00 0.00 175.26 173.50 2vpf s GLU 73 N 0.05 1.14 0.06 4.30 2.02 -1.26 -0.81 118.70 124.20 2vpf s GLU 73 Ca -0.02 -1.53 -0.20 0.00 0.02 0.00 0.00 54.97 53.24 2vpf s GLU 73 Cb -0.03 -0.51 0.04 0.00 0.10 0.00 0.00 34.13 33.73 2vpf s GLU 73 CO 0.01 -0.03 0.46 -1.54 0.02 0.00 0.00 175.26 174.18 2vpf s SER 74 N -3.20 -0.35 0.50 -0.19 1.04 -0.79 -4.87 113.70 105.84 2vpf s SER 74 Ca 0.22 0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.45 2vpf s SER 74 Cb 0.05 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.56 2vpf s SER 74 CO 0.04 -0.73 1.12 0.21 0.98 0.00 0.00 173.24 174.85 2vpf s ASN 75 N -2.15 6.02 -0.03 7.02 3.84 -1.26 -0.14 114.94 128.24 2vpf s ASN 75 Ca -0.04 2.16 0.01 0.00 0.21 0.00 0.00 52.86 55.20 2vpf s ASN 75 Cb -0.00 -2.58 0.02 0.00 -0.55 0.00 0.00 41.25 38.13 2vpf s ASN 75 CO -0.04 -1.01 -0.02 -0.51 -2.79 0.00 0.00 177.10 172.73 2vpf s ILE 76 N -1.74 0.29 -0.05 -5.21 2.07 -0.68 -4.86 121.20 111.02 2vpf s ILE 76 Ca 0.68 -0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.95 2vpf s ILE 76 Cb -0.24 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 2vpf s ILE 76 CO 0.28 0.15 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.38 2vpf s THR 77 N 0.77 2.68 0.06 4.00 2.01 -1.26 -1.68 115.64 122.22 2vpf s THR 77 Ca -0.08 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.06 2vpf s THR 77 Cb -0.12 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 2vpf s THR 77 CO -0.01 0.58 -0.04 -0.04 -0.69 0.00 0.00 174.62 174.42 2vpf s MET 78 N -0.53 0.65 -0.26 4.92 1.00 -0.38 -4.99 119.30 119.72 2vpf s MET 78 Ca 0.07 -1.19 -0.22 0.00 0.00 0.00 0.00 55.69 54.35 2vpf s MET 78 Cb -0.11 0.05 -0.01 0.00 0.00 0.00 0.00 34.83 34.75 2vpf s MET 78 CO 0.01 -0.07 0.72 -0.65 0.00 0.00 0.00 175.02 175.03 2vpf s GLN 79 N -3.58 4.11 -0.05 2.03 -0.21 -1.26 -1.43 119.66 119.26 2vpf s GLN 79 Ca 0.06 0.69 0.04 0.00 0.02 0.00 0.00 55.36 56.17 2vpf s GLN 79 Cb 0.05 -3.66 -0.00 0.00 1.00 0.00 0.00 33.01 30.40 2vpf s GLN 79 CO -0.07 -0.49 -0.19 0.42 -2.12 0.00 0.00 175.29 172.84 2vpf s ILE 80 N 2.68 1.61 -0.00 1.08 -1.09 -0.19 -4.90 121.20 120.38 2vpf s ILE 80 Ca 0.30 -0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 57.61 2vpf s ILE 80 Cb -0.15 -1.38 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 2vpf s ILE 80 CO 0.09 0.46 1.10 -0.32 -1.23 0.00 0.00 174.94 175.03 2vpf s MET 81 N 0.08 4.46 -0.27 2.79 -2.45 0.14 -1.71 119.30 122.35 2vpf s MET 81 Ca -0.06 1.58 -0.09 0.00 -1.25 0.00 0.00 55.69 55.87 2vpf s MET 81 Cb -0.13 -3.45 -0.04 0.00 1.25 0.00 0.00 34.83 32.46 2vpf s MET 81 CO 0.03 -0.23 0.13 0.50 1.05 0.00 0.00 175.02 176.50 2vpf s ARG 82 N 1.39 3.76 -0.14 4.11 3.52 -0.40 -0.90 118.95 130.29 2vpf s ARG 82 Ca 0.55 -0.43 -0.01 0.00 -0.13 0.00 0.00 55.73 55.71 2vpf s ARG 82 Cb -0.24 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2vpf s ARG 82 CO 0.26 -0.20 -0.12 0.42 -0.81 0.00 0.00 175.30 174.85 2vpf s ILE 83 N 1.68 3.12 -0.43 4.11 1.01 0.36 -1.79 121.20 129.27 2vpf s ILE 83 Ca 0.07 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 2vpf s ILE 83 Cb -0.16 -2.33 0.11 0.00 0.01 0.00 0.00 42.46 40.10 2vpf s ILE 83 CO 0.07 0.51 0.25 -0.75 0.00 0.00 0.00 174.94 175.03 2vpf s LYS 84 N 0.50 2.15 0.04 2.79 2.20 -0.86 -0.98 119.74 125.58 2vpf s LYS 84 Ca -0.08 -1.82 -0.38 0.00 -0.36 0.00 0.00 55.97 53.33 2vpf s LYS 84 Cb -0.16 -3.69 -0.17 0.00 -1.51 0.00 0.00 37.83 32.30 2vpf s LYS 84 CO 0.04 -1.11 1.30 -0.35 -0.36 0.00 0.00 175.35 174.87 2vpf n PRO 85 N 4.66 0.88 -1.08 4.03 -0.04 -1.26 -0.10 135.00 142.09 2vpf n PRO 85 Ca -0.04 0.32 -0.03 0.00 -0.04 0.00 0.00 63.50 63.71 2vpf n PRO 85 Cb 0.41 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 31.93 2vpf n PRO 85 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2vpf n HIS 86 N 2.45 0.00 -1.34 0.54 8.25 -1.26 -4.75 115.22 119.11 2vpf n HIS 86 Ca 0.19 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.68 2vpf n HIS 86 Cb 0.16 -1.84 0.04 0.00 1.12 0.00 0.00 29.99 29.47 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 -0.23 0.70 0.00 -0.41 6.02 0.86 -5.14 117.38 119.19 2vpf n GLN 87 Ca -0.03 -1.43 0.00 0.00 -0.01 0.00 0.00 57.00 55.53 2vpf n GLN 87 Cb 0.43 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.84 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 -0.47 -1.84 3.32 1.08 0.00 -1.10 -4.80 105.19 101.37 2vpf n GLY 88 Ca 0.05 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 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 0.90 -0.19 1.61 -2.07 -1.26 -2.03 119.66 116.62 2vpf s GLN 89 Ca 0.00 -0.33 -0.16 0.00 -1.82 0.00 0.00 55.36 53.06 2vpf s GLN 89 Cb 0.00 0.40 0.05 0.00 -1.09 0.00 0.00 33.01 32.38 2vpf s GLN 89 CO 0.00 -0.30 0.49 -3.38 -1.32 0.00 0.00 175.29 170.78 2vpf s HIS 90 N -2.33 -0.59 0.27 9.60 -3.43 -0.74 -5.00 115.29 113.07 2vpf s HIS 90 Ca -0.06 1.38 -0.29 0.00 -0.80 0.00 0.00 55.06 55.29 2vpf s HIS 90 Cb -0.01 0.23 -0.09 0.00 -1.43 0.00 0.00 32.58 31.28 2vpf s HIS 90 CO -0.01 -0.30 0.98 0.42 -2.00 0.00 0.00 174.74 173.83 2vpf s ILE 91 N 0.58 3.95 0.11 -5.38 1.01 -1.26 -1.27 121.20 118.94 2vpf s ILE 91 Ca -0.03 1.90 -0.17 0.00 0.00 0.00 0.00 60.65 62.35 2vpf s ILE 91 Cb -0.05 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.28 2vpf s ILE 91 CO -0.03 0.40 0.41 -0.83 0.00 0.00 0.00 174.94 174.89 2vpf s GLY 92 N -1.19 -0.29 0.11 6.18 0.00 -0.69 -4.94 107.32 106.50 2vpf s GLY 92 Ca 0.44 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.93 2vpf s GLY 92 CO 0.33 -0.24 0.78 -0.54 0.00 0.00 0.00 173.10 173.43 2vpf s GLU 93 N -3.61 4.54 0.11 2.90 2.02 -1.26 -1.02 118.70 122.37 2vpf s GLU 93 Ca 0.02 1.13 0.08 0.00 0.02 0.00 0.00 54.97 56.21 2vpf s GLU 93 Cb 0.01 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2vpf s GLU 93 CO -0.11 0.43 -0.20 -1.64 0.02 0.00 0.00 175.26 173.76 2vpf s MET 94 N -0.61 1.11 0.07 1.61 -1.94 -0.51 -4.92 119.30 114.11 2vpf s MET 94 Ca 0.37 -1.17 0.06 0.00 -1.71 0.00 0.00 55.69 53.25 2vpf s MET 94 Cb -0.22 -1.34 -0.03 0.00 2.01 0.00 0.00 34.83 35.25 2vpf s MET 94 CO 0.25 0.31 -0.17 -1.54 -0.01 0.00 0.00 175.02 173.86 2vpf s SER 95 N -1.96 2.01 0.15 3.03 1.04 -1.26 -1.25 113.70 115.46 2vpf s SER 95 Ca 0.07 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.92 2vpf s SER 95 Cb -0.10 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 2vpf s SER 95 CO 0.04 0.01 -0.04 -0.36 0.98 0.00 0.00 173.24 173.87 2vpf s PHE 96 N -1.12 1.13 -0.23 5.02 0.08 -0.68 -4.99 117.98 117.20 2vpf s PHE 96 Ca 0.02 -0.94 -0.12 0.00 0.12 0.00 0.00 56.93 56.01 2vpf s PHE 96 Cb -0.09 -0.64 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 2vpf s PHE 96 CO 0.03 -0.13 0.23 -0.51 -0.10 0.00 0.00 175.22 174.73 2vpf s LEU 97 N -3.14 4.12 0.23 -0.37 1.43 -1.26 -1.68 118.68 118.02 2vpf s LEU 97 Ca 0.19 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2vpf s LEU 97 Cb 0.05 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2vpf s LEU 97 CO 0.01 0.02 0.43 -1.10 0.23 0.00 0.00 176.35 175.94 2vpf s GLN 98 N 1.15 3.54 -0.33 1.70 -0.21 0.80 -4.91 119.66 121.39 2vpf s GLN 98 Ca 0.11 -0.28 -0.17 0.00 0.02 0.00 0.00 55.36 55.03 2vpf s GLN 98 Cb -0.14 -2.79 -0.01 0.00 1.00 0.00 0.00 33.01 31.07 2vpf s GLN 98 CO 0.06 0.34 0.48 -1.01 -2.12 0.00 0.00 175.29 173.04 2vpf s HIS 99 N -1.95 3.20 -0.14 0.91 3.76 0.41 -1.89 115.29 119.59 2vpf s HIS 99 Ca 0.39 0.24 0.18 0.00 -0.15 0.00 0.00 55.06 55.73 2vpf s HIS 99 Cb -0.11 -2.83 -0.14 0.00 1.11 0.00 0.00 32.58 30.61 2vpf s HIS 99 CO 0.30 -0.46 0.76 0.09 -0.85 0.00 0.00 174.74 174.58 2vpf n ASN 100 N 5.63 0.69 -3.80 1.40 4.13 0.01 -4.53 115.26 118.78 2vpf n ASN 100 Ca -0.06 0.30 -0.12 0.00 1.68 0.00 0.00 54.58 56.38 2vpf n ASN 100 Cb 0.49 0.49 -0.09 0.00 -1.54 0.00 0.00 39.78 39.13 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 -3.03 0.62 0.05 3.52 1.02 -1.18 -4.91 119.74 115.82 2vpf s LYS 101 Ca -0.04 -0.29 -0.00 0.00 0.02 0.00 0.00 55.97 55.66 2vpf s LYS 101 Cb 0.09 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.64 2vpf s LYS 101 CO 0.82 -0.17 -0.04 0.00 -0.92 0.00 0.00 175.35 175.04 2vpf s GLU 103 N -3.07 0.71 -0.25 0.00 -1.05 -0.12 -4.84 118.70 110.08 2vpf s GLU 103 Ca 0.00 -0.83 -0.16 0.00 -0.15 0.00 0.00 54.97 53.83 2vpf s GLU 103 Cb 0.01 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2vpf s GLU 103 CO -0.06 -0.20 0.43 0.00 0.95 0.00 0.00 175.26 176.38 2vpf s ARG 105 N 2.01 0.62 0.34 0.00 1.70 -1.05 -4.92 118.95 117.66 2vpf s ARG 105 Ca 0.18 -0.95 -0.27 0.00 -0.47 0.00 0.00 55.73 54.22 2vpf s ARG 105 Cb -0.16 -0.23 -0.12 0.00 -0.57 0.00 0.00 34.95 33.87 2vpf s ARG 105 CO 0.09 0.02 1.15 -2.30 -1.08 0.00 0.00 175.30 173.18 2vpf n PRO 106 N 0.94 1.72 -2.14 3.89 -0.01 -1.26 -1.87 135.00 136.27 2vpf n PRO 106 Ca -0.19 0.61 -0.41 0.00 -0.01 0.00 0.00 63.50 63.49 2vpf n PRO 106 Cb 0.57 -2.12 -0.03 0.00 -0.01 0.00 0.00 33.50 31.91 2vpf n PRO 106 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 2vpf s LYS 107 N -1.81 4.35 0.00 -0.52 1.02 -0.23 -4.82 119.74 117.72 2vpf s LYS 107 Ca 0.58 2.16 0.00 0.00 0.02 0.00 0.00 55.97 58.73 2vpf s LYS 107 Cb -0.61 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2vpf s LYS 107 CO 0.60 -0.30 0.00 0.36 -0.92 0.00 0.00 175.35 175.10