#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dvh s ASP 2 N 0.00 6.54 0.24 0.00 2.15 -1.26 -4.77 116.67 119.57 1dvh s ASP 2 Ca 0.00 2.52 -0.05 0.00 0.43 0.00 0.00 52.55 55.46 1dvh s ASP 2 Cb 0.00 -2.54 0.39 0.00 -0.30 0.00 0.00 42.92 40.46 1dvh s ASP 2 CO 0.00 -0.98 1.80 1.23 -0.17 0.00 0.00 175.17 177.05 1dvh h GLY 3 N 9.85 1.22 2.00 2.66 0.00 -1.91 0.26 103.07 117.16 1dvh h GLY 3 Ca -0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 1dvh h GLY 3 CO 0.94 0.10 -0.05 0.00 0.00 0.00 0.00 176.54 177.53 1dvh h ALA 4 N 1.45 1.30 0.04 3.60 0.00 -1.91 0.93 119.26 124.68 1dvh h ALA 4 Ca 0.39 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 1dvh h ALA 4 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1dvh h ALA 4 CO -0.26 0.06 -1.00 0.00 0.00 0.00 0.00 179.25 178.05 1dvh h ALA 5 N 1.95 0.17 -0.70 0.00 0.00 -1.41 -3.34 119.26 115.92 1dvh h ALA 5 Ca -0.00 -0.99 0.04 0.00 0.00 0.00 0.00 54.91 53.96 1dvh h ALA 5 Cb 0.17 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1dvh h ALA 5 CO 0.01 0.57 0.44 -0.07 0.00 0.00 0.00 179.25 180.20 1dvh h LEU 6 N -0.74 0.70 -0.24 0.00 3.38 -0.78 -1.57 115.31 116.06 1dvh h LEU 6 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1dvh h LEU 6 Cb 1.40 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1dvh h LEU 6 CO -0.06 0.48 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1dvh n TYR 7 N -4.68 0.17 -0.27 1.13 9.36 0.29 -2.64 117.16 120.53 1dvh n TYR 7 Ca 0.08 0.08 0.11 0.00 3.32 0.00 0.00 57.90 61.48 1dvh n TYR 7 Cb 0.10 -0.63 0.36 0.00 -0.63 0.00 0.00 39.34 38.54 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 0.72 0.00 2.98 1.57 -1.40 0.15 116.57 120.58 1dvh h LYS 8 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1dvh h LYS 8 Cb 0.13 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1dvh h LYS 8 CO 0.00 0.47 -0.05 0.66 -0.57 0.00 0.00 179.45 179.96 1dvh h SER 9 N 0.74 0.00 0.06 0.86 4.64 -1.71 -3.02 113.55 115.11 1dvh h SER 9 Ca 0.43 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.38 1dvh h SER 9 Cb 0.62 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 1dvh h SER 9 CO -0.19 0.05 -2.33 0.00 -0.87 0.00 0.00 176.83 173.49 1dvh h ILE 11 N 0.01 0.36 -0.80 0.00 6.09 -0.71 0.95 117.51 123.41 1dvh h ILE 11 Ca -0.53 -0.08 0.09 0.00 -1.37 0.00 0.00 64.86 62.98 1dvh h ILE 11 Cb 2.08 0.11 -0.05 0.00 0.47 0.00 0.00 36.82 39.42 1dvh h ILE 11 CO -0.00 0.04 0.52 1.23 -3.07 0.00 0.00 178.15 176.87 1dvh h GLY 12 N 0.24 1.06 0.25 8.18 0.00 -1.77 0.24 103.07 111.26 1dvh h GLY 12 Ca 0.67 -0.31 -0.37 0.00 0.00 0.00 0.00 47.33 47.32 1dvh h GLY 12 CO -0.30 0.18 -2.19 0.00 0.00 0.00 0.00 176.54 174.23 1dvh h HIS 14 N -0.16 0.12 0.00 0.00 -0.00 -1.31 -3.35 115.15 110.45 1dvh h HIS 14 Ca -0.51 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 59.78 1dvh h HIS 14 Cb 1.87 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 29.28 1dvh h HIS 14 CO 0.04 1.04 0.00 0.41 -0.00 0.00 0.00 177.93 179.43 1dvh n GLY 15 N 1.32 1.40 0.38 2.45 0.00 0.84 -1.40 105.19 110.19 1dvh n GLY 15 Ca -0.02 -1.78 0.19 0.00 0.00 0.00 0.00 46.02 44.40 1dvh n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvh h ALA 16 N 0.00 2.02 -0.71 4.61 0.00 -1.98 0.84 119.26 124.04 1dvh h ALA 16 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dvh h ALA 16 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dvh h ALA 16 CO 0.00 -0.40 0.00 -0.40 0.00 0.00 0.00 179.25 178.45 1dvh n ASP 17 N -4.67 4.10 -2.76 0.00 5.68 -1.26 -4.96 116.55 112.69 1dvh n ASP 17 Ca 0.24 -2.09 -0.10 0.00 -0.50 0.00 0.00 54.79 52.34 1dvh n ASP 17 Cb 0.74 -0.50 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 1dvh n ASP 17 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dvh n GLY 18 N 1.53 -0.49 0.03 6.12 0.00 0.29 -4.34 105.19 108.33 1dvh n GLY 18 Ca 0.25 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1dvh n GLY 18 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1dvh n SER 19 N -1.77 0.49 -3.66 1.61 7.64 -1.11 -0.37 113.62 116.46 1dvh n SER 19 Ca -0.03 -0.75 -0.41 0.00 1.01 0.00 0.00 58.87 58.69 1dvh n SER 19 Cb 0.53 0.60 -0.01 0.00 -1.01 0.00 0.00 64.21 64.33 1dvh n SER 19 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dvh n LYS 20 N -0.59 3.39 0.00 1.43 4.76 -0.49 -4.75 118.16 121.91 1dvh n LYS 20 Ca 0.01 -2.84 0.00 0.00 -2.87 0.00 0.00 58.31 52.60 1dvh n LYS 20 Cb 0.03 -3.04 0.00 0.00 -1.84 0.00 0.00 35.03 30.18 1dvh n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dvh n ALA 21 N 4.60 0.00 -1.56 7.82 0.00 -1.26 -4.56 120.51 125.55 1dvh n ALA 21 Ca 0.55 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 53.48 1dvh n ALA 21 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 1dvh n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dvh n ALA 22 N 0.00 -1.43 0.00 0.00 0.00 -1.26 -4.12 120.51 113.71 1dvh n ALA 22 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1dvh n ALA 22 Cb 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.49 1dvh n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dvh n MET 23 N 1.82 0.00 -0.29 0.00 0.00 -1.26 0.31 117.12 117.70 1dvh n MET 23 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.92 1dvh n MET 23 Cb 0.21 0.00 0.20 0.00 0.00 0.00 0.00 33.22 33.63 1dvh n MET 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1dvh h GLY 24 N 0.00 1.34 0.00 3.17 0.00 -1.91 -3.45 103.07 102.22 1dvh h GLY 24 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1dvh h GLY 24 CO 0.00 0.02 0.00 -1.14 0.00 0.00 0.00 176.54 175.42 1dvh n SER 25 N -4.83 0.00 -4.67 0.19 3.41 0.15 -4.86 113.62 103.02 1dvh n SER 25 Ca 0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1dvh n SER 25 Cb 0.38 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 1dvh n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dvh n ALA 26 N 0.00 1.62 -1.66 7.33 0.00 0.35 -4.83 120.51 123.31 1dvh n ALA 26 Ca 0.00 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 1dvh n ALA 26 Cb 0.00 -2.65 -0.03 0.00 0.00 0.00 0.00 19.45 16.77 1dvh n ALA 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dvh n LYS 27 N 7.06 2.81 -0.41 0.00 4.01 -1.26 -4.19 118.16 126.18 1dvh n LYS 27 Ca 0.20 1.03 -0.20 0.00 -0.51 0.00 0.00 58.31 58.83 1dvh n LYS 27 Cb 0.39 -2.97 -0.04 0.00 -0.51 0.00 0.00 35.03 31.89 1dvh n LYS 27 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 1dvh n PRO 28 N 7.30 0.00 -0.08 1.97 -0.02 -1.26 -4.78 135.00 138.13 1dvh n PRO 28 Ca 0.20 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1dvh n PRO 28 Cb 0.40 -0.49 0.37 0.00 -0.02 0.00 0.00 33.50 33.75 1dvh n PRO 28 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1dvh h VAL 29 N 2.31 1.12 -0.12 -1.45 2.07 -0.97 -3.40 116.25 115.81 1dvh h VAL 29 Ca -0.03 -0.24 -0.57 0.00 0.82 0.00 0.00 66.70 66.68 1dvh h VAL 29 Cb 0.47 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.52 1dvh h VAL 29 CO 0.36 0.13 1.64 1.17 0.02 0.00 0.00 177.57 180.88 1dvh n LYS 30 N -4.46 0.09 -3.33 1.57 4.81 -0.99 -0.24 118.16 115.61 1dvh n LYS 30 Ca 0.05 0.01 -0.18 0.00 -0.87 0.00 0.00 58.31 57.32 1dvh n LYS 30 Cb 0.07 -1.63 0.06 0.00 0.02 0.00 0.00 35.03 33.56 1dvh n LYS 30 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1dvh n GLY 31 N 6.72 -0.20 0.33 3.14 0.00 -0.50 -4.90 105.19 109.78 1dvh n GLY 31 Ca 0.61 0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.68 1dvh n GLY 31 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1dvh h GLN 32 N -2.06 0.80 0.00 1.61 4.20 -0.81 -3.47 115.11 115.38 1dvh h GLN 32 Ca -0.44 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1dvh h GLN 32 Cb 1.28 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.89 1dvh h GLN 32 CO 0.43 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 179.56 1dvh n GLY 33 N -1.34 3.55 0.30 3.46 0.00 -1.26 -4.80 105.19 105.09 1dvh n GLY 33 Ca 0.06 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.46 1dvh n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dvh h ALA 34 N 0.00 1.08 -0.74 4.61 0.00 -1.88 0.45 119.26 122.78 1dvh h ALA 34 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1dvh h ALA 34 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1dvh h ALA 34 CO 0.00 -0.47 0.30 1.49 0.00 0.00 0.00 179.25 180.56 1dvh h GLU 35 N 0.13 1.10 0.57 0.00 4.57 -1.94 0.15 114.58 119.16 1dvh h GLU 35 Ca 0.51 -0.20 -0.03 0.00 -1.18 0.00 0.00 59.36 58.46 1dvh h GLU 35 Cb 1.00 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.42 1dvh h GLU 35 CO -0.71 0.90 -0.28 1.49 -1.18 0.00 0.00 179.01 179.23 1dvh h GLU 36 N 1.06 -0.74 -0.67 1.92 4.57 -0.63 0.89 114.58 120.98 1dvh h GLU 36 Ca 0.25 0.05 0.13 0.00 -1.18 0.00 0.00 59.36 58.61 1dvh h GLU 36 Cb 0.21 0.17 -0.13 0.00 -0.16 0.00 0.00 28.75 28.84 1dvh h GLU 36 CO -0.02 -0.49 -0.21 -0.07 -1.18 0.00 0.00 179.01 177.04 1dvh h LEU 37 N -0.80 -0.75 0.12 1.64 3.38 -0.42 0.12 115.31 118.61 1dvh h LEU 37 Ca -0.08 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1dvh h LEU 37 Cb 0.59 0.46 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1dvh h LEU 37 CO 0.13 -0.24 -0.06 0.22 0.09 0.00 0.00 178.44 178.57 1dvh h TYR 38 N -0.03 -0.16 -0.97 1.13 3.20 -0.67 0.13 116.97 119.60 1dvh h TYR 38 Ca 0.31 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.25 1dvh h TYR 38 Cb 0.52 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 1dvh h TYR 38 CO -0.57 0.12 0.63 -0.22 -1.64 0.00 0.00 178.16 176.47 1dvh h LYS 39 N -0.43 1.08 -0.17 1.82 3.64 -0.06 0.19 116.57 122.64 1dvh h LYS 39 Ca -0.02 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 1dvh h LYS 39 Cb 0.34 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1dvh h LYS 39 CO 0.03 0.71 -0.27 0.87 -2.27 0.00 0.00 179.45 178.52 1dvh h LYS 40 N 1.11 0.48 -0.50 1.90 1.57 -0.68 0.37 116.57 120.83 1dvh h LYS 40 Ca 0.42 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1dvh h LYS 40 Cb 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1dvh h LYS 40 CO -0.17 0.89 0.25 0.52 -0.57 0.00 0.00 179.45 180.37 1dvh h MET 41 N 0.11 0.71 -0.49 3.15 2.86 -0.19 0.14 114.93 121.23 1dvh h MET 41 Ca 0.01 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1dvh h MET 41 Cb 0.85 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.34 1dvh h MET 41 CO 0.06 0.58 0.27 -0.22 1.06 0.00 0.00 176.91 178.66 1dvh h LYS 42 N 0.66 0.51 -0.02 1.72 1.63 -0.59 0.31 116.57 120.79 1dvh h LYS 42 Ca 0.17 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1dvh h LYS 42 Cb 0.10 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 1dvh h LYS 42 CO -0.02 0.34 -0.28 0.78 -3.45 0.00 0.00 179.45 176.81 1dvh h GLY 43 N 0.53 -0.44 0.99 5.01 0.00 -0.19 0.07 103.07 109.04 1dvh h GLY 43 Ca 0.20 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 1dvh h GLY 43 CO -0.12 -0.22 0.26 -0.97 0.00 0.00 0.00 176.54 175.49 1dvh h TYR 44 N -0.42 0.85 -0.42 5.60 0.05 -0.25 0.34 116.97 122.72 1dvh h TYR 44 Ca 0.07 -0.05 0.08 0.00 0.05 0.00 0.00 58.73 58.88 1dvh h TYR 44 Cb 0.51 -0.26 -0.08 0.00 1.01 0.00 0.00 36.73 37.91 1dvh h TYR 44 CO -0.32 0.67 -0.12 0.00 -1.05 0.00 0.00 178.16 177.33 1dvh h ALA 45 N 1.10 0.25 -0.38 3.88 0.00 0.10 -0.09 119.26 124.12 1dvh h ALA 45 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1dvh h ALA 45 Cb 0.15 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1dvh h ALA 45 CO -0.02 -0.47 0.00 -0.25 0.00 0.00 0.00 179.25 178.51 1dvh n ASP 46 N -5.33 2.28 -2.75 0.00 8.00 -0.04 -4.78 116.55 113.94 1dvh n ASP 46 Ca 0.03 -2.06 -0.16 0.00 0.71 0.00 0.00 54.79 53.31 1dvh n ASP 46 Cb 0.24 -0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1dvh n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dvh n GLY 47 N 1.03 -0.50 1.39 0.44 0.00 -0.05 -4.86 105.19 102.65 1dvh n GLY 47 Ca 0.13 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.98 3.41 -3.58 1.61 2.88 0.10 -4.98 113.62 111.09 1dvh n SER 48 Ca -0.10 -3.81 -0.08 0.00 -1.33 0.00 0.00 58.87 53.55 1dvh n SER 48 Cb 0.59 -0.57 -0.02 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.40 -0.33 0.26 0.66 5.04 -1.21 -4.83 117.35 113.55 1dvh s TYR 49 Ca 0.47 0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 55.17 1dvh s TYR 49 Cb 0.41 0.58 0.01 0.00 0.35 0.00 0.00 41.96 43.32 1dvh s TYR 49 CO -0.01 -0.75 0.39 0.41 -1.34 0.00 0.00 175.55 174.26 1dvh n GLY 50 N -0.35 2.16 3.85 8.97 0.00 -1.26 -4.60 105.19 113.96 1dvh n GLY 50 Ca -0.10 -1.47 0.02 0.00 0.00 0.00 0.00 46.02 44.48 1dvh n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dvh s GLY 51 N -2.53 -0.23 0.59 -0.02 0.00 -1.26 -4.93 107.32 98.93 1dvh s GLY 51 Ca 0.19 0.28 0.29 0.00 0.00 0.00 0.00 44.72 45.48 1dvh s GLY 51 CO 0.14 3.66 2.02 0.83 0.00 0.00 0.00 173.10 179.75 1dvh h GLU 52 N 2.00 0.00 -0.49 2.90 4.39 -1.99 -2.12 114.58 119.28 1dvh h GLU 52 Ca -0.25 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.12 1dvh h GLU 52 Cb 1.19 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 29.45 1dvh h GLU 52 CO 0.30 0.00 -1.00 -2.13 -1.16 0.00 0.00 179.01 175.03 1dvh n ARG 53 N -3.71 2.21 -0.31 2.33 3.00 -1.26 -4.90 116.66 114.03 1dvh n ARG 53 Ca 0.04 -3.61 0.20 0.00 -0.00 0.00 0.00 57.85 54.48 1dvh n ARG 53 Cb 0.44 -1.72 0.48 0.00 0.00 0.00 0.00 32.46 31.67 1dvh n ARG 53 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1dvh h LYS 54 N 2.30 0.44 0.18 -0.14 5.09 -1.74 -1.68 116.57 121.03 1dvh h LYS 54 Ca 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1dvh h LYS 54 Cb 1.39 -0.10 0.00 0.00 0.10 0.00 0.00 32.23 33.62 1dvh h LYS 54 CO 0.35 0.29 -0.09 0.00 -2.09 0.00 0.00 179.45 177.92 1dvh h ALA 55 N 1.62 -0.24 -0.89 0.07 0.00 -1.91 0.12 119.26 118.03 1dvh h ALA 55 Ca 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1dvh h ALA 55 Cb 1.32 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 1dvh h ALA 55 CO -0.28 -0.62 0.52 0.52 0.00 0.00 0.00 179.25 179.39 1dvh h MET 56 N -0.26 1.22 0.67 0.00 2.86 -1.75 0.94 114.93 118.60 1dvh h MET 56 Ca -0.02 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1dvh h MET 56 Cb 0.20 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1dvh h MET 56 CO 0.04 0.86 -0.46 0.52 1.06 0.00 0.00 176.91 178.93 1dvh h MET 57 N 1.23 -1.03 -0.73 1.72 2.07 -0.99 0.26 114.93 117.45 1dvh h MET 57 Ca 0.32 0.07 0.14 0.00 -2.07 0.00 0.00 59.70 58.16 1dvh h MET 57 Cb -0.03 0.24 -0.09 0.00 -1.87 0.00 0.00 31.60 29.84 1dvh h MET 57 CO -0.06 -0.69 0.28 1.15 1.07 0.00 0.00 176.91 178.66 1dvh h THR 58 N -1.07 0.66 -0.76 2.22 2.02 -0.60 0.14 112.91 115.51 1dvh h THR 58 Ca -0.09 -0.14 0.07 0.00 0.77 0.00 0.00 66.41 67.02 1dvh h THR 58 Cb 0.87 0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1dvh h THR 58 CO 0.06 0.08 0.50 -1.13 0.37 0.00 0.00 175.52 175.40 1dvh h ASN 59 N 0.42 0.68 0.15 4.18 -0.00 -0.33 0.77 115.58 121.46 1dvh h ASN 59 Ca 0.40 0.01 -0.01 0.00 -0.00 0.00 0.00 56.30 56.70 1dvh h ASN 59 Cb 0.60 -0.14 0.00 0.00 -0.00 0.00 0.00 38.32 38.79 1dvh h ASN 59 CO -0.40 0.43 -0.07 0.00 -0.00 0.00 0.00 177.43 177.39 1dvh h ALA 60 N 1.60 -0.20 -0.97 1.57 0.00 0.11 -3.38 119.26 117.99 1dvh h ALA 60 Ca 0.34 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1dvh h ALA 60 Cb 0.31 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 1dvh h ALA 60 CO -0.12 -0.19 0.56 0.28 0.00 0.00 0.00 179.25 179.78 1dvh h VAL 61 N -1.05 0.60 -0.04 0.00 2.07 -0.65 -1.48 116.25 115.70 1dvh h VAL 61 Ca -0.02 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1dvh h VAL 61 Cb 0.20 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1dvh h VAL 61 CO 0.03 0.11 0.16 0.07 0.02 0.00 0.00 177.57 177.97 1dvh h LYS 62 N 0.62 0.00 -0.06 1.57 2.10 -1.02 -0.79 116.57 119.00 1dvh h LYS 62 Ca 0.59 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.19 1dvh h LYS 62 Cb 1.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 1dvh h LYS 62 CO -0.44 0.00 -0.21 -0.22 -2.00 0.00 0.00 179.45 176.58 1dvh h LYS 63 N 0.00 0.09 0.00 0.07 3.64 -1.48 -3.45 116.57 115.44 1dvh h LYS 63 Ca 0.02 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 1dvh h LYS 63 Cb 0.33 -0.01 0.07 0.00 -0.41 0.00 0.00 32.23 32.21 1dvh h LYS 63 CO -0.00 0.30 0.10 0.66 -2.27 0.00 0.00 179.45 178.24 1dvh n TYR 64 N -4.25 -3.10 -4.26 1.91 4.01 -0.30 -5.14 117.16 106.02 1dvh n TYR 64 Ca -0.02 -1.29 -0.14 0.00 -0.16 0.00 0.00 57.90 56.29 1dvh n TYR 64 Cb 0.29 -0.55 -0.10 0.00 -0.31 0.00 0.00 39.34 38.67 1dvh n TYR 64 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1dvh s SER 65 N -4.06 0.76 0.25 7.72 0.15 -1.26 -5.01 113.70 112.26 1dvh s SER 65 Ca 0.50 -1.35 -0.10 0.00 0.70 0.00 0.00 55.95 55.70 1dvh s SER 65 Cb -0.03 0.24 0.39 0.00 -1.71 0.00 0.00 66.02 64.91 1dvh s SER 65 CO 0.33 -0.75 1.59 -0.78 1.20 0.00 0.00 173.24 174.83 1dvh h ASP 66 N 2.53 -0.74 0.29 5.45 3.58 -1.98 0.13 116.42 125.69 1dvh h ASP 66 Ca -0.37 0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1dvh h ASP 66 Cb 1.24 0.51 -0.00 0.00 1.72 0.00 0.00 39.33 42.80 1dvh h ASP 66 CO 0.58 -0.27 -0.16 -0.08 -2.88 0.00 0.00 179.24 176.42 1dvh h GLU 67 N 0.01 -0.41 -0.71 0.28 4.22 -1.99 0.52 114.58 116.50 1dvh h GLU 67 Ca 0.41 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.94 1dvh h GLU 67 Cb 0.65 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1dvh h GLU 67 CO -0.85 -0.28 0.41 0.93 -2.18 0.00 0.00 179.01 177.04 1dvh h GLU 68 N -0.43 0.74 -0.05 1.92 3.07 -1.45 0.82 114.58 119.20 1dvh h GLU 68 Ca -0.03 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1dvh h GLU 68 Cb 0.35 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1dvh h GLU 68 CO 0.04 0.49 0.03 -0.07 -1.40 0.00 0.00 179.01 178.10 1dvh h LEU 69 N 0.76 0.06 -0.46 1.33 3.38 -0.40 0.23 115.31 120.21 1dvh h LEU 69 Ca 0.31 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.30 1dvh h LEU 69 Cb 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1dvh h LEU 69 CO -0.17 0.06 0.23 0.50 0.09 0.00 0.00 178.44 179.15 1dvh h LYS 70 N 0.04 0.44 -0.44 1.13 1.63 -0.31 0.61 116.57 119.67 1dvh h LYS 70 Ca 0.02 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1dvh h LYS 70 Cb 0.02 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 1dvh h LYS 70 CO -0.00 0.29 0.18 0.00 -3.45 0.00 0.00 179.45 176.47 1dvh h ALA 71 N 1.25 0.57 -0.20 5.00 0.00 -0.58 0.38 119.26 125.68 1dvh h ALA 71 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dvh h ALA 71 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dvh h ALA 71 CO -0.14 0.17 0.11 -0.07 0.00 0.00 0.00 179.25 179.32 1dvh h LEU 72 N 0.57 0.18 -0.78 0.00 3.38 -0.04 -0.47 115.31 118.14 1dvh h LEU 72 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1dvh h LEU 72 Cb 0.18 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1dvh h LEU 72 CO -0.01 0.13 0.47 0.00 0.09 0.00 0.00 178.44 179.12 1dvh h ALA 73 N 1.09 1.00 -0.30 1.53 0.00 -0.63 0.18 119.26 122.13 1dvh h ALA 73 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1dvh h ALA 73 Cb -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1dvh h ALA 73 CO -0.04 0.47 0.01 0.22 0.00 0.00 0.00 179.25 179.92 1dvh h ASP 74 N 1.08 -0.09 0.78 0.00 3.58 -0.35 0.38 116.42 121.80 1dvh h ASP 74 Ca 0.28 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.76 1dvh h ASP 74 Cb -0.03 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1dvh h ASP 74 CO -0.05 -0.01 -0.43 0.22 -2.88 0.00 0.00 179.24 176.09 1dvh h TYR 75 N 0.11 -1.14 -1.02 0.28 3.20 -0.27 -2.15 116.97 115.99 1dvh h TYR 75 Ca 0.14 -0.02 0.27 0.00 3.14 0.00 0.00 58.73 62.27 1dvh h TYR 75 Cb 0.18 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1dvh h TYR 75 CO -0.21 -0.66 0.70 0.52 -1.64 0.00 0.00 178.16 176.87 1dvh h MET 76 N -1.12 0.18 -0.02 1.82 2.86 -0.45 0.40 114.93 118.60 1dvh h MET 76 Ca -0.11 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 1dvh h MET 76 Cb 0.88 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1dvh h MET 76 CO 0.14 0.12 -0.56 1.03 1.06 0.00 0.00 176.91 178.70 1dvh h SER 77 N 0.19 0.08 -0.52 1.22 0.87 0.21 -1.29 113.55 114.30 1dvh h SER 77 Ca 0.52 -0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.83 1dvh h SER 77 Cb 1.71 -0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 63.52 1dvh h SER 77 CO -0.12 0.62 0.14 2.29 -0.53 0.00 0.00 176.83 179.23 1dvh n LYS 78 N -3.89 2.49 0.00 2.24 2.85 0.05 -4.24 118.16 117.67 1dvh n LYS 78 Ca -0.02 -3.07 0.11 0.00 -1.05 0.00 0.00 58.31 54.28 1dvh n LYS 78 Cb 0.57 -1.97 0.63 0.00 -0.65 0.00 0.00 35.03 33.61 1dvh n LYS 78 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24