#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvh n ASP 2 N 0.00 2.18 -0.19 0.00 9.92 -1.26 -4.74 116.55 122.46 1dvh n ASP 2 Ca 0.00 0.94 -0.01 0.00 -0.53 0.00 0.00 54.79 55.19 1dvh n ASP 2 Cb 0.00 -1.13 0.07 0.00 -0.64 0.00 0.00 41.12 39.42 1dvh n ASP 2 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1dvh h GLY 3 N 8.16 0.51 0.95 0.44 0.00 -1.90 0.62 103.07 111.85 1dvh h GLY 3 Ca -0.40 0.13 0.11 0.00 0.00 0.00 0.00 47.33 47.17 1dvh h GLY 3 CO 0.98 -0.20 0.42 0.00 0.00 0.00 0.00 176.54 177.74 1dvh h ALA 4 N 1.54 2.07 0.00 3.60 0.00 -1.89 0.16 119.26 124.74 1dvh h ALA 4 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1dvh h ALA 4 Cb 0.45 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1dvh h ALA 4 CO -0.53 -0.61 -1.14 0.00 0.00 0.00 0.00 179.25 176.97 1dvh h ALA 5 N 1.52 0.56 0.09 0.00 0.00 -1.25 -3.31 119.26 116.87 1dvh h ALA 5 Ca 0.18 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.47 1dvh h ALA 5 Cb 1.01 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1dvh h ALA 5 CO -0.00 0.34 -1.57 -0.07 0.00 0.00 0.00 179.25 177.95 1dvh h LEU 6 N 0.00 0.30 0.00 0.00 3.38 -0.51 -3.34 115.31 115.14 1dvh h LEU 6 Ca -0.06 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1dvh h LEU 6 Cb 1.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1dvh h LEU 6 CO 0.02 1.39 0.00 0.00 0.09 0.00 0.00 178.44 179.94 1dvh n TYR 7 N -3.38 0.00 -0.22 1.13 9.36 0.04 -4.04 117.16 120.05 1dvh n TYR 7 Ca -0.17 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.07 1dvh n TYR 7 Cb 1.04 -0.41 0.13 0.00 -0.63 0.00 0.00 39.34 39.47 1dvh n TYR 7 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1dvh h LYS 8 N 0.00 0.34 0.00 2.98 1.57 -1.69 0.33 116.57 120.10 1dvh h LYS 8 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1dvh h LYS 8 Cb 0.34 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1dvh h LYS 8 CO 0.00 0.22 0.00 0.43 -0.57 0.00 0.00 179.45 179.53 1dvh n SER 9 N -5.06 0.00 -0.12 0.86 7.64 -1.26 -2.65 113.62 113.04 1dvh n SER 9 Ca 0.10 0.20 -0.15 0.00 1.01 0.00 0.00 58.87 60.04 1dvh n SER 9 Cb 0.34 -0.34 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1dvh n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dvh h ILE 11 N 0.00 0.37 -0.66 0.00 5.03 -1.11 -0.91 117.51 120.22 1dvh h ILE 11 Ca -0.55 -0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.33 1dvh h ILE 11 Cb 1.95 0.36 -0.10 0.00 -3.03 0.00 0.00 36.82 36.00 1dvh h ILE 11 CO -0.06 0.00 0.08 1.23 -0.68 0.00 0.00 178.15 178.73 1dvh h GLY 12 N 0.01 0.81 0.24 5.37 0.00 -1.75 0.36 103.07 108.11 1dvh h GLY 12 Ca 0.60 0.02 -0.31 0.00 0.00 0.00 0.00 47.33 47.65 1dvh h GLY 12 CO -0.01 -0.19 -1.70 0.00 0.00 0.00 0.00 176.54 174.63 1dvh h HIS 14 N -0.54 0.00 0.00 0.00 -0.00 -1.39 -3.36 115.15 109.85 1dvh h HIS 14 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 1dvh h HIS 14 Cb 1.64 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.05 1dvh h HIS 14 CO 0.07 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.41 1dvh n GLY 15 N 0.05 -1.39 0.31 2.45 0.00 0.13 -0.23 105.19 106.51 1dvh n GLY 15 Ca 0.02 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 1dvh n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvh n ALA 16 N -0.73 -0.46 -1.40 4.61 0.00 -1.26 -0.33 120.51 120.94 1dvh n ALA 16 Ca 0.00 0.64 -0.31 0.00 0.00 0.00 0.00 53.44 53.77 1dvh n ALA 16 Cb 0.00 -0.12 0.09 0.00 0.00 0.00 0.00 19.45 19.43 1dvh n ALA 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dvh n ASP 17 N -4.94 6.66 -2.50 0.00 5.75 -1.26 -4.92 116.55 115.34 1dvh n ASP 17 Ca 0.02 -3.76 -0.08 0.00 -0.01 0.00 0.00 54.79 50.95 1dvh n ASP 17 Cb 0.20 -0.88 -0.00 0.00 -1.03 0.00 0.00 41.12 39.41 1dvh n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dvh n GLY 18 N -0.94 -0.50 0.08 6.12 0.00 0.55 -4.43 105.19 106.08 1dvh n GLY 18 Ca 0.59 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 1dvh n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1dvh h SER 19 N -0.03 0.00 -3.30 1.61 4.64 -1.47 -0.11 113.55 114.88 1dvh h SER 19 Ca -0.20 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.60 1dvh h SER 19 Cb 1.14 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1dvh h SER 19 CO 0.23 0.97 0.55 -0.75 -0.87 0.00 0.00 176.83 176.97 1dvh s LYS 20 N -2.62 4.46 -1.19 4.77 2.20 0.68 -4.69 119.74 123.34 1dvh s LYS 20 Ca -0.04 1.80 -0.22 0.00 -0.36 0.00 0.00 55.97 57.14 1dvh s LYS 20 Cb 0.08 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 33.03 1dvh s LYS 20 CO 0.82 -0.18 1.89 0.00 -0.36 0.00 0.00 175.35 177.53 1dvh s ALA 21 N 0.63 2.07 0.06 3.13 0.00 -1.26 -4.44 121.76 121.96 1dvh s ALA 21 Ca 0.56 -2.26 -0.33 0.00 0.00 0.00 0.00 51.96 49.93 1dvh s ALA 21 Cb -0.30 -4.67 -0.17 0.00 0.00 0.00 0.00 23.12 17.98 1dvh s ALA 21 CO 0.32 -4.85 0.81 0.00 0.00 0.00 0.00 175.76 172.03 1dvh n ALA 22 N 13.25 -3.14 0.00 0.00 0.00 -1.26 -3.16 120.51 126.21 1dvh n ALA 22 Ca 0.45 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.39 1dvh n ALA 22 Cb 0.47 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1dvh n ALA 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1dvh n MET 23 N 1.21 0.00 -0.65 0.00 1.56 -1.26 -0.59 117.12 117.38 1dvh n MET 23 Ca 0.17 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.54 1dvh n MET 23 Cb 0.12 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.40 1dvh n MET 23 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1dvh n GLY 24 N 0.00 2.41 3.93 -5.12 0.00 -1.26 -4.70 105.19 100.46 1dvh n GLY 24 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1dvh n GLY 24 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dvh n SER 25 N 2.23 -1.78 -4.74 1.61 7.64 -0.43 -4.86 113.62 113.28 1dvh n SER 25 Ca 0.22 -1.06 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 1dvh n SER 25 Cb 0.61 -2.87 -0.01 0.00 -1.01 0.00 0.00 64.21 60.94 1dvh n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dvh n ALA 26 N -4.43 2.04 -1.78 -0.43 0.00 0.24 -4.81 120.51 111.34 1dvh n ALA 26 Ca -0.24 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 1dvh n ALA 26 Cb 0.65 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 1dvh n ALA 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1dvh s LYS 27 N -1.59 3.60 -0.30 0.00 -2.85 -1.26 -4.16 119.74 113.17 1dvh s LYS 27 Ca 0.57 2.06 -0.28 0.00 -1.00 0.00 0.00 55.97 57.32 1dvh s LYS 27 Cb -0.52 -4.22 -0.12 0.00 -2.06 0.00 0.00 37.83 30.91 1dvh s LYS 27 CO 0.59 -1.56 0.98 -2.30 0.10 0.00 0.00 175.35 173.16 1dvh n PRO 28 N 8.12 0.00 0.25 1.78 -0.02 -1.26 -4.80 135.00 139.07 1dvh n PRO 28 Ca 0.24 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.89 1dvh n PRO 28 Cb 0.44 -0.91 0.78 0.00 -0.02 0.00 0.00 33.50 33.79 1dvh n PRO 28 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1dvh h VAL 29 N 3.09 0.00 -0.16 -1.45 -1.51 -1.70 -3.40 116.25 111.11 1dvh h VAL 29 Ca -0.26 -0.25 -0.06 0.00 -1.23 0.00 0.00 66.70 64.90 1dvh h VAL 29 Cb 0.83 1.13 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1dvh h VAL 29 CO 0.60 0.00 0.45 1.17 -1.23 0.00 0.00 177.57 178.56 1dvh n LYS 30 N -2.80 0.24 0.00 5.19 3.00 -0.11 -0.45 118.16 123.23 1dvh n LYS 30 Ca -0.00 -0.89 0.00 0.00 -0.00 0.00 0.00 58.31 57.42 1dvh n LYS 30 Cb 0.19 -3.01 0.00 0.00 0.00 0.00 0.00 35.03 32.22 1dvh n LYS 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1dvh n GLY 31 N 6.08 0.96 3.76 3.14 0.00 -1.26 -4.99 105.19 112.87 1dvh n GLY 31 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 1dvh n GLY 31 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dvh s GLN 32 N -0.38 3.27 0.29 1.61 -0.21 0.41 -4.95 119.66 119.70 1dvh s GLN 32 Ca 0.00 2.04 -0.29 0.00 0.02 0.00 0.00 55.36 57.13 1dvh s GLN 32 Cb 0.00 -2.24 -0.09 0.00 1.00 0.00 0.00 33.01 31.68 1dvh s GLN 32 CO 0.00 -1.02 1.05 0.20 -2.12 0.00 0.00 175.29 173.39 1dvh s GLY 33 N -1.18 3.02 0.24 3.09 0.00 -1.26 -4.21 107.32 107.02 1dvh s GLY 33 Ca 0.70 0.79 -0.09 0.00 0.00 0.00 0.00 44.72 46.12 1dvh s GLY 33 CO 0.42 1.35 1.63 0.00 0.00 0.00 0.00 173.10 176.49 1dvh h ALA 34 N 3.67 0.69 -0.60 3.20 0.00 -1.90 0.28 119.26 124.59 1dvh h ALA 34 Ca -0.47 0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1dvh h ALA 34 Cb 1.21 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1dvh h ALA 34 CO 0.66 -0.42 0.39 1.49 0.00 0.00 0.00 179.25 181.37 1dvh h GLU 35 N 0.06 0.77 0.62 0.00 4.22 -1.92 0.13 114.58 118.47 1dvh h GLU 35 Ca 0.39 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.76 1dvh h GLU 35 Cb 0.67 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1dvh h GLU 35 CO -0.69 0.51 -0.33 1.49 -2.18 0.00 0.00 179.01 177.80 1dvh h GLU 36 N 0.79 -0.84 -0.72 1.92 4.81 -1.12 0.52 114.58 119.94 1dvh h GLU 36 Ca 0.23 0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.66 1dvh h GLU 36 Cb -0.06 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 29.37 1dvh h GLU 36 CO -0.06 -0.56 -0.15 -0.07 -0.73 0.00 0.00 179.01 177.44 1dvh h LEU 37 N -0.88 -0.61 0.00 1.64 3.38 -0.47 0.13 115.31 118.51 1dvh h LEU 37 Ca -0.08 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1dvh h LEU 37 Cb 0.68 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1dvh h LEU 37 CO 0.12 -0.23 -0.00 0.22 0.09 0.00 0.00 178.44 178.64 1dvh h TYR 38 N 0.02 -0.00 -0.94 1.13 3.20 -0.64 0.13 116.97 119.86 1dvh h TYR 38 Ca 0.35 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.25 1dvh h TYR 38 Cb 0.56 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1dvh h TYR 38 CO -0.55 0.32 0.62 -0.22 -1.64 0.00 0.00 178.16 176.69 1dvh h LYS 39 N -0.33 1.20 0.04 1.82 3.64 -0.03 0.24 116.57 123.14 1dvh h LYS 39 Ca -0.00 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1dvh h LYS 39 Cb 0.33 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1dvh h LYS 39 CO 0.00 0.79 -0.02 0.87 -2.27 0.00 0.00 179.45 178.82 1dvh h LYS 40 N 1.23 -0.05 -0.63 1.90 1.57 -0.71 -1.77 116.57 118.11 1dvh h LYS 40 Ca 0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1dvh h LYS 40 Cb -0.08 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1dvh h LYS 40 CO -0.10 0.43 0.31 0.52 -0.57 0.00 0.00 179.45 180.04 1dvh h MET 41 N -0.55 0.89 -0.31 3.15 2.86 -0.57 -0.17 114.93 120.23 1dvh h MET 41 Ca -0.01 -0.11 0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1dvh h MET 41 Cb 0.50 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.96 1dvh h MET 41 CO 0.01 0.69 0.15 -0.22 1.06 0.00 0.00 176.91 178.59 1dvh h LYS 42 N 0.89 0.30 -0.53 1.72 1.63 -0.44 0.54 116.57 120.68 1dvh h LYS 42 Ca 0.22 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.05 1dvh h LYS 42 Cb 0.08 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.60 1dvh h LYS 42 CO -0.03 0.20 0.27 0.78 -3.45 0.00 0.00 179.45 177.22 1dvh h GLY 43 N 0.31 0.75 1.71 5.01 0.00 -0.38 0.11 103.07 110.58 1dvh h GLY 43 Ca 0.13 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 1dvh h GLY 43 CO -0.10 0.11 -0.24 -0.97 0.00 0.00 0.00 176.54 175.35 1dvh h TYR 44 N 0.52 0.37 -0.04 5.60 0.05 -0.39 0.40 116.97 123.48 1dvh h TYR 44 Ca 0.24 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 1dvh h TYR 44 Cb 0.15 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.79 1dvh h TYR 44 CO -0.10 0.55 0.01 0.00 -1.05 0.00 0.00 178.16 177.57 1dvh h ALA 45 N 1.45 0.05 0.00 3.88 0.00 0.14 -3.22 119.26 121.56 1dvh h ALA 45 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dvh h ALA 45 Cb 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dvh h ALA 45 CO 0.04 -0.31 -0.65 0.38 0.00 0.00 0.00 179.25 178.72 1dvh h ASP 46 N -0.18 0.00 0.00 0.00 3.04 -0.79 -3.41 116.42 115.08 1dvh h ASP 46 Ca 0.01 -0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.64 1dvh h ASP 46 Cb 0.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 1dvh h ASP 46 CO 0.00 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 1dvh n GLY 47 N 1.30 0.76 0.00 7.15 0.00 0.12 -4.95 105.19 109.57 1dvh n GLY 47 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1dvh n GLY 47 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dvh n SER 48 N 0.00 0.00 -4.04 1.61 2.88 0.02 -4.73 113.62 109.36 1dvh n SER 48 Ca 0.00 0.34 -0.10 0.00 -1.33 0.00 0.00 58.87 57.78 1dvh n SER 48 Cb 0.00 -0.44 -0.11 0.00 -0.75 0.00 0.00 64.21 62.91 1dvh n SER 48 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dvh s TYR 49 N -2.88 0.48 -5.00 0.66 5.04 -0.89 -4.96 117.35 109.80 1dvh s TYR 49 Ca 0.15 -0.67 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 1dvh s TYR 49 Cb 0.16 -0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.15 1dvh s TYR 49 CO 0.42 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.84 1dvh n GLY 50 N 1.09 -1.61 0.00 8.97 0.00 -1.26 -3.92 105.19 108.46 1dvh n GLY 50 Ca -0.20 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1dvh n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dvh n GLY 51 N -0.26 -0.84 0.18 -0.02 0.00 -1.26 -4.91 105.19 98.08 1dvh n GLY 51 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 1dvh n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dvh h GLU 52 N 0.00 -0.24 -0.84 1.61 4.39 -2.03 0.64 114.58 118.11 1dvh h GLU 52 Ca 0.00 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.73 1dvh h GLU 52 Cb 0.00 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1dvh h GLU 52 CO 0.00 -0.16 0.55 0.00 -1.16 0.00 0.00 179.01 178.24 1dvh h ARG 53 N -0.25 1.07 -0.74 2.33 3.08 -1.96 -1.61 114.38 116.30 1dvh h ARG 53 Ca 0.03 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1dvh h ARG 53 Cb 0.28 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1dvh h ARG 53 CO -0.10 0.71 0.04 1.63 -1.07 0.00 0.00 179.97 181.18 1dvh n LYS 54 N -4.42 3.52 0.04 0.04 4.01 -0.77 -4.31 118.16 116.27 1dvh n LYS 54 Ca 0.10 -2.14 -0.13 0.00 -0.51 0.00 0.00 58.31 55.63 1dvh n LYS 54 Cb 0.05 -2.01 -0.09 0.00 -0.51 0.00 0.00 35.03 32.48 1dvh n LYS 54 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1dvh h ALA 55 N 3.20 -0.10 -0.37 7.82 0.00 0.14 0.06 119.26 130.01 1dvh h ALA 55 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1dvh h ALA 55 Cb 1.58 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.36 1dvh h ALA 55 CO 0.37 -0.39 0.10 0.52 0.00 0.00 0.00 179.25 179.85 1dvh h MET 56 N -0.43 0.24 0.10 0.00 2.86 -1.79 -0.46 114.93 115.45 1dvh h MET 56 Ca -0.01 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1dvh h MET 56 Cb 0.37 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1dvh h MET 56 CO 0.02 0.16 -0.50 0.52 1.06 0.00 0.00 176.91 178.16 1dvh h MET 57 N 0.24 -0.68 -0.24 1.72 2.07 -1.77 0.27 114.93 116.54 1dvh h MET 57 Ca 0.17 0.05 0.06 0.00 -2.07 0.00 0.00 59.70 57.91 1dvh h MET 57 Cb 0.17 0.16 -0.06 0.00 -1.87 0.00 0.00 31.60 29.99 1dvh h MET 57 CO -0.20 -0.45 -0.18 1.15 1.07 0.00 0.00 176.91 178.30 1dvh h THR 58 N -0.71 0.51 -0.47 2.22 2.02 -0.67 0.65 112.91 116.45 1dvh h THR 58 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1dvh h THR 58 Cb 0.72 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 1dvh h THR 58 CO -0.28 0.00 0.32 -1.13 0.37 0.00 0.00 175.52 174.80 1dvh h ASN 59 N -0.17 0.37 0.00 4.18 -0.73 -0.68 -3.21 115.58 115.33 1dvh h ASN 59 Ca 0.14 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1dvh h ASN 59 Cb 0.38 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.89 1dvh h ASN 59 CO -0.34 0.24 -0.01 0.00 -0.37 0.00 0.00 177.43 176.95 1dvh h ALA 60 N 1.74 0.00 -0.08 1.57 0.00 0.12 -3.39 119.26 119.22 1dvh h ALA 60 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1dvh h ALA 60 Cb 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1dvh h ALA 60 CO -0.05 0.01 0.05 -0.39 0.00 0.00 0.00 179.25 178.87 1dvh h VAL 61 N -0.94 0.98 0.00 0.00 -1.51 -1.01 -1.16 116.25 112.61 1dvh h VAL 61 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 1dvh h VAL 61 Cb 0.01 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1dvh h VAL 61 CO 0.00 0.00 0.14 0.07 -1.23 0.00 0.00 177.57 176.56 1dvh h LYS 62 N 0.02 0.00 0.00 5.19 2.10 -1.75 0.91 116.57 123.05 1dvh h LYS 62 Ca 0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.66 1dvh h LYS 62 Cb 0.11 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1dvh h LYS 62 CO -0.00 0.00 -0.11 1.57 -2.00 0.00 0.00 179.45 178.91 1dvh h LYS 63 N 0.00 0.00 -5.87 0.07 2.10 -1.44 -3.42 116.57 108.01 1dvh h LYS 63 Ca 0.00 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.02 1dvh h LYS 63 Cb 0.28 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.56 1dvh h LYS 63 CO 0.00 0.11 -0.41 0.71 -2.00 0.00 0.00 179.45 177.85 1dvh s TYR 64 N -4.15 3.57 0.59 0.07 2.02 0.31 -5.12 117.35 114.65 1dvh s TYR 64 Ca -0.03 0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 57.19 1dvh s TYR 64 Cb 0.13 -1.95 0.04 0.00 -0.40 0.00 0.00 41.96 39.77 1dvh s TYR 64 CO 0.57 0.63 0.84 -1.54 -1.57 0.00 0.00 175.55 174.48 1dvh s SER 65 N -1.71 5.19 0.26 2.29 1.04 -1.26 -4.78 113.70 114.73 1dvh s SER 65 Ca 0.27 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.85 1dvh s SER 65 Cb -0.13 -1.01 0.57 0.00 0.10 0.00 0.00 66.02 65.56 1dvh s SER 65 CO 0.16 -1.24 1.70 0.44 0.98 0.00 0.00 173.24 175.28 1dvh h ASP 66 N -0.11 0.23 0.35 7.02 5.19 -1.98 0.16 116.42 127.28 1dvh h ASP 66 Ca -0.43 0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1dvh h ASP 66 Cb 1.30 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.95 1dvh h ASP 66 CO 0.55 0.03 -0.17 -0.08 -3.12 0.00 0.00 179.24 176.45 1dvh h GLU 67 N 0.38 -0.45 -0.35 3.56 4.22 -1.98 0.16 114.58 120.13 1dvh h GLU 67 Ca 0.48 0.03 0.05 0.00 0.08 0.00 0.00 59.36 60.00 1dvh h GLU 67 Cb 0.82 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 1dvh h GLU 67 CO -0.49 -0.28 0.06 0.93 -2.18 0.00 0.00 179.01 177.06 1dvh h GLU 68 N -0.50 0.18 -0.38 1.92 4.39 -1.62 0.93 114.58 119.50 1dvh h GLU 68 Ca -0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1dvh h GLU 68 Cb 0.38 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1dvh h GLU 68 CO 0.08 0.12 0.23 -0.07 -1.16 0.00 0.00 179.01 178.21 1dvh h LEU 69 N 0.18 0.45 -0.64 1.33 3.38 -0.60 0.10 115.31 119.52 1dvh h LEU 69 Ca 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1dvh h LEU 69 Cb 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1dvh h LEU 69 CO -0.23 0.37 0.33 0.50 0.09 0.00 0.00 178.44 179.50 1dvh h LYS 70 N 0.50 0.91 -0.36 1.13 1.63 -0.17 0.11 116.57 120.32 1dvh h LYS 70 Ca 0.14 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1dvh h LYS 70 Cb -0.01 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.44 1dvh h LYS 70 CO -0.03 0.70 0.18 0.00 -3.45 0.00 0.00 179.45 176.86 1dvh h ALA 71 N 1.15 0.46 0.07 5.00 0.00 -0.37 0.17 119.26 125.74 1dvh h ALA 71 Ca 0.22 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dvh h ALA 71 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1dvh h ALA 71 CO -0.03 0.02 -0.26 -0.07 0.00 0.00 0.00 179.25 178.91 1dvh h LEU 72 N 0.45 -0.75 -0.46 0.00 3.38 -0.44 0.18 115.31 117.67 1dvh h LEU 72 Ca 0.12 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1dvh h LEU 72 Cb 0.11 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1dvh h LEU 72 CO -0.02 -0.34 0.27 0.00 0.09 0.00 0.00 178.44 178.44 1dvh h ALA 73 N 0.33 0.58 -0.32 1.53 0.00 -0.64 0.18 119.26 120.91 1dvh h ALA 73 Ca 0.04 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1dvh h ALA 73 Cb 0.49 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1dvh h ALA 73 CO -0.18 -0.05 -0.01 -0.44 0.00 0.00 0.00 179.25 178.56 1dvh h ASP 74 N 0.53 -0.15 0.93 0.00 3.32 -0.34 0.26 116.42 120.97 1dvh h ASP 74 Ca 0.19 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.27 1dvh h ASP 74 Cb 0.03 0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.73 1dvh h ASP 74 CO -0.09 -0.04 -0.45 0.22 -1.72 0.00 0.00 179.24 177.15 1dvh h TYR 75 N 0.08 -1.18 -1.02 4.55 3.20 -0.39 -2.90 116.97 119.32 1dvh h TYR 75 Ca 0.16 -0.03 0.26 0.00 3.14 0.00 0.00 58.73 62.25 1dvh h TYR 75 Cb 0.21 0.39 -0.09 0.00 1.54 0.00 0.00 36.73 38.79 1dvh h TYR 75 CO -0.24 -0.73 0.66 0.52 -1.64 0.00 0.00 178.16 176.73 1dvh h MET 76 N -1.26 0.37 -0.26 1.82 2.86 -0.33 0.19 114.93 118.32 1dvh h MET 76 Ca -0.13 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1dvh h MET 76 Cb 0.96 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1dvh h MET 76 CO 0.20 0.25 0.22 1.03 1.06 0.00 0.00 176.91 179.68 1dvh h SER 77 N 0.39 0.00 -1.60 1.22 0.87 -0.27 0.92 113.55 115.08 1dvh h SER 77 Ca 0.57 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.57 1dvh h SER 77 Cb 1.46 0.00 -0.42 0.00 -0.44 0.00 0.00 62.40 63.01 1dvh h SER 77 CO -0.26 0.00 -0.79 1.17 -0.53 0.00 0.00 176.83 176.42 1dvh n LYS 78 N -4.15 3.03 0.00 2.24 3.00 0.64 -4.72 118.16 118.20 1dvh n LYS 78 Ca 0.03 -4.37 0.00 0.00 -0.00 0.00 0.00 58.31 53.97 1dvh n LYS 78 Cb 0.37 -2.10 0.00 0.00 0.00 0.00 0.00 35.03 33.30 1dvh n LYS 78 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29