#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vho s ARG 2 N 0.00 4.75 0.77 0.03 3.52 -1.23 -4.72 118.95 122.07 2vho s ARG 2 Ca 0.00 1.44 -0.12 0.00 -0.13 0.00 0.00 55.73 56.93 2vho s ARG 2 Cb 0.00 -3.10 0.05 0.00 -1.56 0.00 0.00 34.95 30.35 2vho s ARG 2 CO 0.00 0.42 1.12 -1.01 -0.81 0.00 0.00 175.30 175.01 2vho s HIS 3 N -1.34 3.03 -0.23 5.12 3.76 -1.26 -2.39 115.29 121.98 2vho s HIS 3 Ca 0.45 1.01 -0.08 0.00 -0.15 0.00 0.00 55.06 56.28 2vho s HIS 3 Cb -0.23 -3.19 0.10 0.00 1.11 0.00 0.00 32.58 30.37 2vho s HIS 3 CO 0.29 -1.58 0.50 0.71 -0.85 0.00 0.00 174.74 173.81 2vho s TYR 4 N -3.33 -0.98 -0.86 1.40 2.02 0.14 -0.84 117.35 114.90 2vho s TYR 4 Ca 0.60 1.80 -0.23 0.00 -0.37 0.00 0.00 57.07 58.88 2vho s TYR 4 Cb -0.12 0.48 0.07 0.00 -0.40 0.00 0.00 41.96 41.98 2vho s TYR 4 CO 0.52 -0.55 1.22 -2.00 -1.57 0.00 0.00 175.55 173.17 2vho s GLU 5 N 2.71 3.40 -0.21 -0.62 2.12 0.15 -0.19 118.70 126.07 2vho s GLU 5 Ca -0.03 -1.05 -0.06 0.00 0.36 0.00 0.00 54.97 54.18 2vho s GLU 5 Cb -0.12 -4.75 -0.03 0.00 0.26 0.00 0.00 34.13 29.49 2vho s GLU 5 CO -0.15 -1.99 0.03 -1.50 -0.54 0.00 0.00 175.26 171.11 2vho s ILE 6 N 4.30 4.25 0.41 -3.70 1.10 -1.26 -0.22 121.20 126.08 2vho s ILE 6 Ca 0.35 -0.21 0.07 0.00 -0.51 0.00 0.00 60.65 60.35 2vho s ILE 6 Cb -0.07 -2.94 -0.08 0.00 0.15 0.00 0.00 42.46 39.53 2vho s ILE 6 CO -0.00 0.41 0.01 0.54 -2.11 0.00 0.00 174.94 173.79 2vho s VAL 7 N 1.01 2.02 -0.05 4.00 0.11 -0.62 0.22 120.40 127.08 2vho s VAL 7 Ca 0.03 -2.00 -0.31 0.00 -2.93 0.00 0.00 61.98 56.77 2vho s VAL 7 Cb -0.14 -2.98 0.12 0.00 -1.53 0.00 0.00 36.38 31.84 2vho s VAL 7 CO 0.02 -0.01 1.17 0.72 -3.33 0.00 0.00 175.10 173.67 2vho s PHE 8 N -2.70 -0.12 -0.09 1.54 -0.12 -1.26 -2.54 117.98 112.68 2vho s PHE 8 Ca 0.35 0.00 0.02 0.00 -0.05 0.00 0.00 56.93 57.25 2vho s PHE 8 Cb 0.09 0.55 0.01 0.00 -0.63 0.00 0.00 43.02 43.05 2vho s PHE 8 CO 0.18 -0.36 -0.14 0.00 -0.05 0.00 0.00 175.22 174.85 2vho s MET 9 N -2.63 2.03 -0.19 1.99 0.23 -0.90 -2.48 119.30 117.35 2vho s MET 9 Ca 0.11 -0.50 -0.09 0.00 -1.03 0.00 0.00 55.69 54.18 2vho s MET 9 Cb 0.01 -1.71 -0.05 0.00 -1.53 0.00 0.00 34.83 31.55 2vho s MET 9 CO -0.04 -0.03 0.12 0.08 -2.03 0.00 0.00 175.02 173.12 2vho s VAL 10 N 0.88 5.30 0.37 5.16 1.01 -1.20 -0.07 120.40 131.85 2vho s VAL 10 Ca -0.10 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 2vho s VAL 10 Cb -0.15 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.72 2vho s VAL 10 CO 0.01 0.47 -0.10 1.57 0.00 0.00 0.00 175.10 177.04 2vho n HIS 11 N 3.33 -2.14 0.00 5.22 -0.00 0.16 -2.60 115.22 119.19 2vho n HIS 11 Ca -0.17 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 57.88 2vho n HIS 11 Cb 0.52 -1.22 0.00 0.00 -0.00 0.00 0.00 29.99 29.29 2vho n HIS 11 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2vho n PRO 12 N 1.11 0.00 -0.31 1.57 -0.02 -1.26 -3.25 135.00 132.84 2vho n PRO 12 Ca 0.06 0.00 0.21 0.00 -2.02 0.00 0.00 63.50 61.74 2vho n PRO 12 Cb 0.34 -0.68 0.39 0.00 -0.02 0.00 0.00 33.50 33.53 2vho n PRO 12 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2vho n ASP 13 N -0.19 0.08 0.00 2.55 2.03 -1.26 0.21 116.55 119.96 2vho n ASP 13 Ca 0.00 1.56 0.07 0.00 0.52 0.00 0.00 54.79 56.93 2vho n ASP 13 Cb 0.00 -0.65 0.39 0.00 -0.72 0.00 0.00 41.12 40.15 2vho n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2vho n GLN 14 N -5.25 0.40 0.00 -0.67 1.13 -1.25 -3.63 117.38 108.11 2vho n GLN 14 Ca 0.27 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.35 2vho n GLN 14 Cb 0.92 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.77 2vho n GLN 14 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2vho n SER 15 N -1.02 0.00 -0.18 1.08 3.41 0.55 -1.09 113.62 116.37 2vho n SER 15 Ca 0.10 0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 58.76 2vho n SER 15 Cb 0.05 -0.12 0.03 0.00 -0.26 0.00 0.00 64.21 63.91 2vho n SER 15 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2vho h GLU 16 N 0.00 0.66 0.00 4.33 4.81 -1.80 -2.33 114.58 120.25 2vho h GLU 16 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2vho h GLU 16 Cb 0.01 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2vho h GLU 16 CO 0.00 0.44 0.00 0.94 -0.73 0.00 0.00 179.01 179.66 2vho n GLN 17 N -4.75 0.15 -0.25 1.92 7.27 -0.25 -4.26 117.38 117.21 2vho n GLN 17 Ca 0.03 0.16 0.10 0.00 0.07 0.00 0.00 57.00 57.36 2vho n GLN 17 Cb 0.05 -1.50 0.20 0.00 2.41 0.00 0.00 30.24 31.40 2vho n GLN 17 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2vho n VAL 18 N -1.37 -0.30 0.11 1.69 0.31 -0.88 -1.93 118.33 115.96 2vho n VAL 18 Ca 0.07 1.60 -0.08 0.00 -0.01 0.00 0.00 64.34 65.91 2vho n VAL 18 Cb 0.16 -2.32 -0.05 0.00 -0.91 0.00 0.00 33.84 30.72 2vho n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2vho h PRO 19 N 0.00 -0.36 -0.92 5.55 0.13 -1.84 -2.99 132.00 131.57 2vho h PRO 19 Ca 0.43 0.02 0.26 0.00 -0.87 0.00 0.00 66.00 65.84 2vho h PRO 19 Cb 0.86 0.08 -0.14 0.00 0.13 0.00 0.00 31.00 31.93 2vho h PRO 19 CO -0.69 -0.10 0.36 0.78 -0.23 0.00 0.00 178.00 178.12 2vho h GLY 20 N -1.03 1.59 0.80 1.56 0.00 -1.70 0.11 103.07 104.40 2vho h GLY 20 Ca -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 2vho h GLY 20 CO 0.06 -0.38 -0.38 -0.33 0.00 0.00 0.00 176.54 175.50 2vho h MET 21 N 0.28 -1.03 -0.73 4.80 2.86 -1.64 -2.11 114.93 117.35 2vho h MET 21 Ca 0.61 0.07 0.15 0.00 -2.06 0.00 0.00 59.70 58.47 2vho h MET 21 Cb 1.26 0.23 -0.13 0.00 0.06 0.00 0.00 31.60 33.02 2vho h MET 21 CO -0.62 -0.69 -0.12 0.82 1.06 0.00 0.00 176.91 177.36 2vho h ILE 22 N -1.09 0.30 0.95 -1.22 2.04 -0.71 0.24 117.51 118.02 2vho h ILE 22 Ca -0.11 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 2vho h ILE 22 Cb 0.82 0.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2vho h ILE 22 CO 0.18 0.01 -0.45 -0.33 0.00 0.00 0.00 178.15 177.55 2vho h GLU 23 N 0.03 -1.22 -0.33 2.37 5.08 -1.17 -2.62 114.58 116.72 2vho h GLU 23 Ca 0.37 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2vho h GLU 23 Cb 0.60 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2vho h GLU 23 CO -0.71 -0.82 0.00 0.54 -1.00 0.00 0.00 179.01 177.02 2vho n ARG 24 N -5.54 0.35 -0.09 2.33 1.74 -0.46 -1.38 116.66 113.61 2vho n ARG 24 Ca -0.16 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.72 2vho n ARG 24 Cb 0.50 -1.16 -0.07 0.00 -1.02 0.00 0.00 32.46 30.71 2vho n ARG 24 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2vho n TYR 25 N 0.27 0.00 0.96 -1.55 0.53 0.72 -4.44 117.16 113.64 2vho n TYR 25 Ca 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.00 2vho n TYR 25 Cb 0.08 -0.67 0.57 0.00 -1.03 0.00 0.00 39.34 38.29 2vho n TYR 25 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 2vho n THR 26 N -3.80 0.23 1.84 -0.72 -2.24 -0.71 -3.30 114.28 105.57 2vho n THR 26 Ca -0.37 0.06 0.15 0.00 -2.27 0.00 0.00 64.05 61.62 2vho n THR 26 Cb 0.77 -0.62 0.87 0.00 -2.10 0.00 0.00 70.33 69.25 2vho n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vho n ALA 27 N -1.45 2.60 -0.01 6.98 0.00 -0.48 -0.50 120.51 127.64 2vho n ALA 27 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.32 2vho n ALA 27 Cb 0.28 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 2vho n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vho n ALA 28 N -1.01 1.95 -0.08 0.00 0.00 -1.21 -4.53 120.51 115.63 2vho n ALA 28 Ca 0.22 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 2vho n ALA 28 Cb 0.10 0.33 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 2vho n ALA 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2vho h ILE 29 N 0.00 1.29 -0.49 0.00 2.04 -1.58 -1.64 117.51 117.13 2vho h ILE 29 Ca -0.06 -1.69 0.09 0.00 1.00 0.00 0.00 64.86 64.20 2vho h ILE 29 Cb 1.11 1.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 2vho h ILE 29 CO -0.00 0.55 0.33 0.74 0.00 0.00 0.00 178.15 179.77 2vho h THR 30 N 0.58 0.90 -0.69 -0.27 2.02 -1.09 -2.76 112.91 111.61 2vho h THR 30 Ca 0.01 -0.10 -0.24 0.00 0.77 0.00 0.00 66.41 66.85 2vho h THR 30 Cb 1.11 0.58 -0.14 0.00 -1.74 0.00 0.00 68.15 67.95 2vho h THR 30 CO 0.11 0.05 0.26 0.61 0.37 0.00 0.00 175.52 176.93 2vho n GLY 31 N -1.54 4.00 1.20 2.16 0.00 -0.65 -3.50 105.19 106.86 2vho n GLY 31 Ca 0.07 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 45.07 2vho n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vho n ALA 32 N -0.48 3.16 -0.39 4.61 0.00 -0.99 -4.94 120.51 121.47 2vho n ALA 32 Ca 0.41 -2.91 0.00 0.00 0.00 0.00 0.00 53.44 50.94 2vho n ALA 32 Cb 1.35 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 20.26 2vho n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2vho n GLU 33 N -0.39 0.00 -0.35 0.00 -0.58 -1.23 -4.90 120.64 113.18 2vho n GLU 33 Ca 0.15 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.59 2vho n GLU 33 Cb 0.90 -3.05 0.29 0.00 -0.57 0.00 0.00 31.44 29.01 2vho n GLU 33 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2vho s GLY 34 N -2.00 1.42 0.07 0.62 0.00 -1.05 -5.03 107.32 101.35 2vho s GLY 34 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 44.72 44.11 2vho s GLY 34 CO 0.00 0.28 -0.20 0.54 0.00 0.00 0.00 173.10 173.73 2vho s LYS 35 N -4.94 1.19 -0.29 2.90 1.02 -0.27 -4.74 119.74 114.62 2vho s LYS 35 Ca 0.68 -1.02 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 2vho s LYS 35 Cb -0.16 -1.36 0.10 0.00 -0.52 0.00 0.00 37.83 35.89 2vho s LYS 35 CO 0.59 0.33 0.13 0.42 -0.92 0.00 0.00 175.35 175.91 2vho s ILE 36 N -0.99 -0.08 0.00 2.17 1.01 -1.26 -1.72 121.20 120.33 2vho s ILE 36 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.97 2vho s ILE 36 Cb -0.09 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.40 2vho s ILE 36 CO 0.03 -0.72 0.00 1.41 0.00 0.00 0.00 174.94 175.66 2vho n HIS 37 N 5.25 0.00 -1.56 3.97 8.25 -1.26 -4.91 115.22 124.95 2vho n HIS 37 Ca -0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.01 2vho n HIS 37 Cb 0.42 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.57 2vho n HIS 37 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2vho n ARG 38 N 0.00 0.89 -3.52 -0.41 0.63 -1.26 -5.00 116.66 107.99 2vho n ARG 38 Ca 0.00 0.33 0.03 0.00 -0.92 0.00 0.00 57.85 57.29 2vho n ARG 38 Cb 0.00 -1.96 -0.06 0.00 0.45 0.00 0.00 32.46 30.89 2vho n ARG 38 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 2vho s LEU 39 N -0.61 -0.09 -0.28 6.15 1.98 -1.26 -4.38 118.68 120.19 2vho s LEU 39 Ca 0.70 0.13 -0.22 0.00 -2.89 0.00 0.00 54.13 51.85 2vho s LEU 39 Cb -0.47 1.12 0.12 0.00 0.66 0.00 0.00 46.19 47.61 2vho s LEU 39 CO 0.52 -0.02 0.95 -1.83 -1.89 0.00 0.00 176.35 174.08 2vho s GLU 40 N 1.34 0.53 0.13 1.98 -1.05 -1.20 -5.06 118.70 115.38 2vho s GLU 40 Ca -0.06 0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 55.18 2vho s GLU 40 Cb -0.02 0.22 -0.06 0.00 -0.44 0.00 0.00 34.13 33.82 2vho s GLU 40 CO -0.12 -0.08 1.03 0.34 0.95 0.00 0.00 175.26 177.38 2vho s ASP 41 N 0.64 7.38 -0.01 0.83 2.15 -1.26 -3.32 116.67 123.09 2vho s ASP 41 Ca -0.01 1.91 -0.01 0.00 0.43 0.00 0.00 52.55 54.88 2vho s ASP 41 Cb -0.05 -2.59 -0.00 0.00 -0.30 0.00 0.00 42.92 39.98 2vho s ASP 41 CO -0.09 -0.15 -0.01 0.79 -0.17 0.00 0.00 175.17 175.54 2vho n TRP 42 N 2.73 0.01 0.00 -5.34 7.02 -1.25 -5.02 117.44 115.59 2vho n TRP 42 Ca 0.03 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 2vho n TRP 42 Cb 0.48 -0.11 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 2vho n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2vho n GLY 43 N 1.59 2.25 2.66 6.99 0.00 -1.25 -4.92 105.19 112.50 2vho n GLY 43 Ca -0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.94 2vho n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vho n ARG 44 N -1.76 1.55 -1.85 1.61 1.74 -1.26 -2.48 116.66 114.21 2vho n ARG 44 Ca 0.00 -1.16 -0.37 0.00 -0.77 0.00 0.00 57.85 55.54 2vho n ARG 44 Cb 0.00 -2.29 0.05 0.00 -1.02 0.00 0.00 32.46 29.20 2vho n ARG 44 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2vho s ARG 45 N 3.60 2.92 -0.09 5.56 3.52 -1.10 -4.67 118.95 128.69 2vho s ARG 45 Ca 0.31 2.05 -0.22 0.00 -0.13 0.00 0.00 55.73 57.74 2vho s ARG 45 Cb 0.09 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 2vho s ARG 45 CO -0.02 -1.31 0.63 1.14 -0.81 0.00 0.00 175.30 174.93 2vho s GLN 46 N -3.16 4.40 0.54 5.12 1.03 -1.26 -2.15 119.66 124.17 2vho s GLN 46 Ca 0.77 0.74 -0.11 0.00 0.04 0.00 0.00 55.36 56.80 2vho s GLN 46 Cb -0.36 -3.45 -0.05 0.00 0.03 0.00 0.00 33.01 29.18 2vho s GLN 46 CO 0.41 0.08 0.93 -0.51 -2.54 0.00 0.00 175.29 173.65 2vho s LEU 47 N 0.80 3.48 0.26 2.60 1.43 -1.13 -4.95 118.68 121.17 2vho s LEU 47 Ca 0.34 1.30 0.03 0.00 -1.03 0.00 0.00 54.13 54.77 2vho s LEU 47 Cb -0.17 -4.28 0.34 0.00 0.03 0.00 0.00 46.19 42.11 2vho s LEU 47 CO 0.15 -0.68 1.64 0.00 0.23 0.00 0.00 176.35 177.70 2vho h ALA 48 N 0.28 0.98 -2.92 4.21 0.00 -1.96 -3.47 119.26 116.39 2vho h ALA 48 Ca -0.46 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 2vho h ALA 48 Cb 1.19 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2vho h ALA 48 CO 0.62 0.62 0.05 1.52 0.00 0.00 0.00 179.25 182.06 2vho s TYR 49 N -4.14 0.21 -0.69 0.00 -0.00 -1.26 -5.06 117.35 106.40 2vho s TYR 49 Ca -0.06 -0.64 -0.07 0.00 -0.00 0.00 0.00 57.07 56.30 2vho s TYR 49 Cb 0.13 0.43 -0.06 0.00 -0.00 0.00 0.00 41.96 42.46 2vho s TYR 49 CO 0.79 -1.17 1.86 -0.35 -0.00 0.00 0.00 175.55 176.68 2vho n PRO 50 N -0.45 1.55 -1.98 -3.49 -0.04 -1.26 -4.59 135.00 124.74 2vho n PRO 50 Ca -0.03 -1.31 -0.42 0.00 -0.04 0.00 0.00 63.50 61.70 2vho n PRO 50 Cb 0.61 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 2vho n PRO 50 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2vho s ILE 51 N 4.01 2.93 -0.01 0.52 1.10 -1.26 -1.06 121.20 127.44 2vho s ILE 51 Ca 0.35 0.57 0.00 0.00 -0.51 0.00 0.00 60.65 61.06 2vho s ILE 51 Cb 0.09 -3.37 0.00 0.00 0.15 0.00 0.00 42.46 39.33 2vho s ILE 51 CO 0.00 0.02 0.00 -3.20 -2.11 0.00 0.00 174.94 169.66 2vho n ASN 52 N 4.64 -5.36 -2.57 4.50 5.15 -1.26 -3.34 115.26 117.01 2vho n ASN 52 Ca 0.14 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 54.08 2vho n ASN 52 Cb 0.40 -3.19 -0.04 0.00 -0.53 0.00 0.00 39.78 36.43 2vho n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2vho n LYS 53 N 0.88 -4.52 0.00 1.20 0.00 -0.22 -5.07 118.16 110.44 2vho n LYS 53 Ca -0.00 3.38 0.00 0.00 0.00 0.00 0.00 58.31 61.69 2vho n LYS 53 Cb 0.45 -4.71 0.00 0.00 0.00 0.00 0.00 35.03 30.77 2vho n LYS 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2vho n LEU 54 N 1.81 0.00 -2.86 3.14 -0.00 -1.21 -5.05 117.00 112.83 2vho n LEU 54 Ca -0.31 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.50 2vho n LEU 54 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.86 2vho n LEU 54 CO 0.29 0.00 2.11 0.00 -0.00 0.00 0.00 177.39 179.79 2vho n HIS 55 N 0.00 1.04 -3.63 1.96 -0.00 -1.26 -4.63 115.22 108.70 2vho n HIS 55 Ca 0.00 -1.77 -0.14 0.00 -0.00 0.00 0.00 57.72 55.81 2vho n HIS 55 Cb 0.00 -1.60 -0.07 0.00 -0.00 0.00 0.00 29.99 28.32 2vho n HIS 55 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2vho s LYS 56 N 2.69 0.84 -0.28 -1.40 1.02 -1.26 -2.82 119.74 118.53 2vho s LYS 56 Ca 0.44 0.99 -0.25 0.00 0.02 0.00 0.00 55.97 57.17 2vho s LYS 56 Cb 0.15 0.41 0.10 0.00 -0.52 0.00 0.00 37.83 37.96 2vho s LYS 56 CO -0.03 -0.10 0.88 0.00 -0.92 0.00 0.00 175.35 175.18 2vho s ALA 57 N 0.35 -1.88 0.88 5.17 0.00 -0.92 -4.10 121.76 121.27 2vho s ALA 57 Ca -0.00 1.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.80 2vho s ALA 57 Cb -0.05 -1.31 0.13 0.00 0.00 0.00 0.00 23.12 21.89 2vho s ALA 57 CO 0.01 -0.29 1.15 -1.58 0.00 0.00 0.00 175.76 175.06 2vho s HIS 58 N 0.30 1.72 0.43 0.00 2.46 -1.07 -2.72 115.29 116.41 2vho s HIS 58 Ca 0.02 1.76 0.02 0.00 0.47 0.00 0.00 55.06 57.32 2vho s HIS 58 Cb -0.05 -3.35 -0.01 0.00 -0.13 0.00 0.00 32.58 29.04 2vho s HIS 58 CO -0.03 -2.74 0.07 0.66 -2.47 0.00 0.00 174.74 170.23 2vho n TYR 59 N -3.99 0.60 -2.21 3.88 4.01 -1.03 -3.22 117.16 115.18 2vho n TYR 59 Ca 0.12 -2.40 0.00 0.00 -0.16 0.00 0.00 57.90 55.46 2vho n TYR 59 Cb 0.52 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2vho n TYR 59 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2vho n VAL 60 N -1.02 0.00 -3.65 -0.72 0.31 -1.03 -3.86 118.33 108.36 2vho n VAL 60 Ca -0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.20 2vho n VAL 60 Cb 0.59 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.45 2vho n VAL 60 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2vho s LEU 61 N 0.00 -0.07 0.11 7.52 1.98 -1.21 -4.46 118.68 122.55 2vho s LEU 61 Ca 0.00 0.12 0.00 0.00 -2.89 0.00 0.00 54.13 51.36 2vho s LEU 61 Cb 0.00 1.12 0.00 0.00 0.66 0.00 0.00 46.19 47.97 2vho s LEU 61 CO 0.00 -0.02 0.00 0.80 -1.89 0.00 0.00 176.35 175.24 2vho n MET 62 N 2.18 0.00 -1.70 1.98 1.56 0.13 -3.26 117.12 118.01 2vho n MET 62 Ca -0.13 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.11 2vho n MET 62 Cb 0.57 -0.39 -0.07 0.00 2.15 0.00 0.00 33.22 35.48 2vho n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2vho n ASN 63 N -3.37 -5.02 -3.44 6.12 4.13 -0.94 -4.18 115.26 108.56 2vho n ASN 63 Ca 0.00 0.39 0.00 0.00 1.68 0.00 0.00 54.58 56.65 2vho n ASN 63 Cb 0.09 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 33.90 2vho n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2vho n VAL 64 N -2.54 0.00 -3.22 2.41 0.31 0.74 -4.31 118.33 111.72 2vho n VAL 64 Ca -0.19 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.18 2vho n VAL 64 Cb 0.62 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.65 2vho n VAL 64 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2vho s GLU 65 N -0.36 0.29 0.10 5.55 2.12 -0.70 0.25 118.70 125.96 2vho s GLU 65 Ca 0.00 0.59 -0.25 0.00 0.36 0.00 0.00 54.97 55.66 2vho s GLU 65 Cb 0.00 0.34 0.09 0.00 0.26 0.00 0.00 34.13 34.81 2vho s GLU 65 CO 0.00 -0.26 1.11 0.00 -0.54 0.00 0.00 175.26 175.58 2vho s ALA 66 N 2.79 -1.88 0.21 6.30 0.00 -1.00 -1.12 121.76 127.06 2vho s ALA 66 Ca 0.03 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2vho s ALA 66 Cb -0.10 0.68 -0.08 0.00 0.00 0.00 0.00 23.12 23.62 2vho s ALA 66 CO -0.15 -1.07 1.10 -1.25 0.00 0.00 0.00 175.76 174.39 2vho s PRO 67 N -2.44 4.61 0.00 0.00 0.04 -1.26 -3.47 135.00 132.47 2vho s PRO 67 Ca 0.20 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2vho s PRO 67 Cb -0.00 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2vho s PRO 67 CO 0.02 0.12 0.83 0.00 0.04 0.00 0.00 177.00 178.00 2vho n GLN 68 N 2.04 0.00 0.06 4.56 0.00 -1.26 0.86 117.38 123.64 2vho n GLN 68 Ca 0.02 0.34 0.13 0.00 0.00 0.00 0.00 57.00 57.48 2vho n GLN 68 Cb 0.46 -1.56 0.48 0.00 0.00 0.00 0.00 30.24 29.61 2vho n GLN 68 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2vho n GLU 69 N -1.33 0.14 -0.04 2.61 2.13 -1.26 -1.40 120.64 121.49 2vho n GLU 69 Ca 0.00 0.18 -0.04 0.00 0.66 0.00 0.00 57.16 57.96 2vho n GLU 69 Cb 0.06 -1.68 -0.06 0.00 0.27 0.00 0.00 31.44 30.03 2vho n GLU 69 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2vho n VAL 70 N -1.93 0.50 1.32 6.31 0.24 0.25 -4.44 118.33 120.59 2vho n VAL 70 Ca 0.05 -0.29 0.14 0.00 -2.04 0.00 0.00 64.34 62.20 2vho n VAL 70 Cb 0.34 -0.81 0.66 0.00 -1.47 0.00 0.00 33.84 32.56 2vho n VAL 70 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vho n ILE 71 N -2.34 0.00 -0.04 1.34 3.06 -1.08 -2.98 119.36 117.31 2vho n ILE 71 Ca -0.13 -0.02 -0.14 0.00 -2.50 0.00 0.00 62.75 59.96 2vho n ILE 71 Cb 0.73 -0.32 -0.08 0.00 0.54 0.00 0.00 39.64 40.50 2vho n ILE 71 CO 0.00 0.00 0.00 -0.78 -2.50 0.00 0.00 176.55 173.27 2vho h ASP 72 N 0.18 0.41 0.16 9.51 3.58 -1.45 0.88 116.42 129.68 2vho h ASP 72 Ca 0.00 -0.58 -0.00 0.00 0.42 0.00 0.00 57.03 56.87 2vho h ASP 72 Cb 0.36 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2vho h ASP 72 CO 0.00 0.91 -0.26 -0.33 -2.88 0.00 0.00 179.24 176.68 2vho h GLU 73 N -0.08 -0.43 -0.91 0.28 5.08 -1.75 -2.20 114.58 114.57 2vho h GLU 73 Ca -0.00 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.55 2vho h GLU 73 Cb 0.86 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.11 2vho h GLU 73 CO 0.06 -0.29 0.49 1.25 -1.00 0.00 0.00 179.01 179.52 2vho h LEU 74 N -0.45 0.60 -0.81 1.33 5.85 -1.60 -0.91 115.31 119.32 2vho h LEU 74 Ca -0.02 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.91 2vho h LEU 74 Cb 0.41 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.32 2vho h LEU 74 CO -0.09 0.22 -0.48 -0.08 -0.34 0.00 0.00 178.44 177.68 2vho h GLU 75 N 0.66 -0.10 0.00 1.25 4.57 0.14 -0.19 114.58 120.91 2vho h GLU 75 Ca 0.51 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.70 2vho h GLU 75 Cb 0.76 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2vho h GLU 75 CO -0.38 -0.07 -0.59 1.15 -1.18 0.00 0.00 179.01 177.94 2vho h THR 76 N -0.11 0.00 -0.23 0.32 2.02 -1.15 -3.34 112.91 110.42 2vho h THR 76 Ca 0.21 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.80 2vho h THR 76 Cb 0.53 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 2vho h THR 76 CO -0.84 0.00 -0.17 0.74 0.37 0.00 0.00 175.52 175.61 2vho h THR 77 N 0.00 0.52 -0.57 3.16 2.02 0.37 -1.32 112.91 117.08 2vho h THR 77 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 2vho h THR 77 Cb 0.83 0.52 -0.10 0.00 -1.74 0.00 0.00 68.15 67.65 2vho h THR 77 CO 0.00 0.00 -0.46 -0.26 0.37 0.00 0.00 175.52 175.17 2vho h PHE 78 N -0.17 -1.39 -0.42 3.16 -1.00 -1.62 1.47 116.94 116.98 2vho h PHE 78 Ca 0.13 0.08 0.08 0.00 2.81 0.00 0.00 57.97 61.08 2vho h PHE 78 Cb 0.37 0.68 -0.09 0.00 3.61 0.00 0.00 35.95 40.52 2vho h PHE 78 CO -0.34 -0.43 -0.33 0.00 -1.61 0.00 0.00 178.31 175.60 2vho h ARG 79 N -0.25 -0.24 -0.93 1.51 2.47 -1.59 0.69 114.38 116.05 2vho h ARG 79 Ca 0.16 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.82 2vho h ARG 79 Cb 0.56 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.89 2vho h ARG 79 CO -0.69 -0.16 0.10 1.19 0.56 0.00 0.00 179.97 180.98 2vho n PHE 80 N -5.42 0.83 -4.30 3.04 3.72 -0.05 -4.62 117.46 110.65 2vho n PHE 80 Ca 0.01 -0.57 -0.34 0.00 -0.05 0.00 0.00 57.45 56.50 2vho n PHE 80 Cb 0.34 -0.35 -0.14 0.00 -0.94 0.00 0.00 39.48 38.39 2vho n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2vho s ASN 81 N -0.00 4.28 -0.13 4.37 3.84 0.48 -4.96 114.94 122.83 2vho s ASN 81 Ca 0.18 -0.32 -0.14 0.00 0.21 0.00 0.00 52.86 52.79 2vho s ASN 81 Cb 0.14 -1.70 -0.12 0.00 -0.55 0.00 0.00 41.25 39.03 2vho s ASN 81 CO 0.04 0.08 0.26 0.44 -2.79 0.00 0.00 177.10 175.13 2vho h ASP 82 N 7.35 0.00 0.00 -4.21 3.32 -1.82 -3.26 116.42 117.81 2vho h ASP 82 Ca -0.34 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.31 2vho h ASP 82 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2vho h ASP 82 CO 0.59 0.84 0.15 0.00 -1.72 0.00 0.00 179.24 179.10 2vho n ALA 83 N -2.94 0.71 -2.86 3.45 0.00 -1.26 -4.59 120.51 113.01 2vho n ALA 83 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 2vho n ALA 83 Cb 0.29 -0.68 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 2vho n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vho s VAL 84 N -2.61 4.82 0.00 0.00 0.11 -1.23 -0.67 120.40 120.82 2vho s VAL 84 Ca 0.00 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 2vho s VAL 84 Cb 0.00 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.35 2vho s VAL 84 CO 0.00 -0.15 0.00 -0.38 -3.33 0.00 0.00 175.10 171.24 2vho n ILE 85 N -0.60 0.00 -0.87 7.04 5.41 0.90 -4.76 119.36 126.48 2vho n ILE 85 Ca -0.08 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.33 2vho n ILE 85 Cb 0.55 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.43 2vho n ILE 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2vho n ARG 86 N 0.00 0.00 -4.22 0.38 1.74 -1.26 -4.45 116.66 108.85 2vho n ARG 86 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 2vho n ARG 86 Cb 0.00 -0.77 -0.12 0.00 -1.02 0.00 0.00 32.46 30.54 2vho n ARG 86 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2vho s SER 87 N 1.17 1.82 -0.24 0.55 0.15 -1.26 -2.12 113.70 113.78 2vho s SER 87 Ca 0.52 -0.60 -0.22 0.00 0.70 0.00 0.00 55.95 56.35 2vho s SER 87 Cb -0.75 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 63.55 2vho s SER 87 CO 0.39 -0.04 0.64 -0.32 1.20 0.00 0.00 173.24 175.11 2vho s MET 88 N -1.68 0.74 -0.20 5.44 0.00 -1.05 -5.02 119.30 117.53 2vho s MET 88 Ca -0.00 0.90 -0.01 0.00 0.00 0.00 0.00 55.69 56.57 2vho s MET 88 Cb -0.10 0.35 0.06 0.00 0.00 0.00 0.00 34.83 35.14 2vho s MET 88 CO 0.02 -0.09 -0.01 0.54 0.00 0.00 0.00 175.02 175.48 2vho s VAL 89 N 0.38 0.97 0.15 10.11 0.11 -1.26 -1.59 120.40 129.27 2vho s VAL 89 Ca -0.00 -0.80 -0.27 0.00 -2.93 0.00 0.00 61.98 57.98 2vho s VAL 89 Cb -0.04 -1.34 -0.07 0.00 -1.53 0.00 0.00 36.38 33.40 2vho s VAL 89 CO 0.00 -0.12 0.85 -0.04 -3.33 0.00 0.00 175.10 172.46 2vho s MET 90 N 1.66 4.65 0.77 1.54 -1.94 0.69 -4.91 119.30 121.77 2vho s MET 90 Ca -0.02 1.27 -0.13 0.00 -1.71 0.00 0.00 55.69 55.10 2vho s MET 90 Cb -0.17 -3.31 0.20 0.00 2.01 0.00 0.00 34.83 33.55 2vho s MET 90 CO -0.07 0.43 0.59 2.89 -0.01 0.00 0.00 175.02 178.85 2vho n ARG 91 N 2.04 -2.80 0.00 2.03 -4.01 -1.26 -0.67 116.66 111.98 2vho n ARG 91 Ca -0.03 -0.96 0.00 0.00 -1.04 0.00 0.00 57.85 55.83 2vho n ARG 91 Cb 0.49 -1.01 0.00 0.00 -3.04 0.00 0.00 32.46 28.89 2vho n ARG 91 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2vho n THR 92 N -4.17 0.00 -0.60 8.89 5.66 -0.02 -3.78 114.28 120.25 2vho n THR 92 Ca 0.09 0.31 0.00 0.00 -3.05 0.00 0.00 64.05 61.39 2vho n THR 92 Cb 0.35 -0.60 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 2vho n THR 92 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2vho n LYS 93 N -0.03 0.00 0.00 1.09 0.00 -1.26 -4.17 118.16 113.79 2vho n LYS 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2vho n LYS 93 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 35.03 31.20 2vho n LYS 93 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2vho n HIS 94 N -2.00 0.00 -2.00 5.64 8.25 -1.26 -4.88 115.22 118.97 2vho n HIS 94 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2vho n HIS 94 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 2vho n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2vho s ALA 95 N -2.19 3.48 -0.21 -1.41 0.00 -1.26 -4.87 121.76 115.30 2vho s ALA 95 Ca 0.00 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 2vho s ALA 95 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 2vho s ALA 95 CO 0.00 -1.62 -0.07 0.08 0.00 0.00 0.00 175.76 174.14 2vho s VAL 96 N 4.59 3.17 -0.15 0.00 1.01 -1.26 -5.11 120.40 122.65 2vho s VAL 96 Ca 0.75 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 2vho s VAL 96 Cb -0.32 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2vho s VAL 96 CO 0.30 0.45 -0.09 -0.89 0.00 0.00 0.00 175.10 174.88 2vho s THR 97 N 1.33 3.38 0.02 3.92 2.01 -1.26 -4.06 115.64 120.99 2vho s THR 97 Ca 0.04 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2vho s THR 97 Cb -0.14 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 69.91 2vho s THR 97 CO -0.04 0.50 0.00 1.21 -0.69 0.00 0.00 174.62 175.60 2vho n GLU 98 N 3.68 -0.58 0.00 4.92 2.13 -1.26 -5.04 120.64 124.49 2vho n GLU 98 Ca -0.18 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.50 2vho n GLU 98 Cb 0.52 -0.54 0.00 0.00 0.27 0.00 0.00 31.44 31.69 2vho n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2vho n ALA 99 N 0.20 0.00 -1.95 4.31 0.00 -1.26 -5.09 120.51 116.71 2vho n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vho n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2vho n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2vho n SER 100 N 0.00 0.00 0.00 0.00 7.64 -1.26 -5.08 113.62 114.93 2vho n SER 100 Ca 0.00 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2vho n SER 100 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2vho n SER 100 CO 0.00 0.00 0.00 0.09 -3.01 0.00 0.00 175.04 172.12