#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvh s LEU 3 N 0.00 2.92 0.75 0.00 1.43 -1.26 -5.12 118.68 117.40 2fvh s LEU 3 Ca 0.00 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 2fvh s LEU 3 Cb 0.00 -1.64 0.05 0.00 0.03 0.00 0.00 46.19 44.62 2fvh s LEU 3 CO 0.00 0.26 1.09 0.42 0.23 0.00 0.00 176.35 178.35 2fvh s THR 4 N -0.23 3.43 0.26 5.49 -4.23 -1.26 -4.75 115.64 114.35 2fvh s THR 4 Ca 0.02 0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 60.94 2fvh s THR 4 Cb -0.13 -3.00 0.33 0.00 1.34 0.00 0.00 72.50 71.04 2fvh s THR 4 CO 0.03 -0.60 1.61 -0.65 -0.54 0.00 0.00 174.62 174.47 2fvh h PRO 5 N -0.99 0.05 -0.61 3.99 0.11 -2.00 0.52 132.00 133.09 2fvh h PRO 5 Ca -0.44 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 2fvh h PRO 5 Cb 1.23 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 2fvh h PRO 5 CO 0.52 0.04 0.21 0.45 -0.21 0.00 0.00 178.00 179.01 2fvh h HIS 6 N 0.05 0.96 -0.35 0.65 3.86 -1.99 0.05 115.15 118.38 2fvh h HIS 6 Ca 0.45 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 2fvh h HIS 6 Cb 0.79 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2fvh h HIS 6 CO -0.51 0.78 0.15 0.93 0.86 0.00 0.00 177.93 180.14 2fvh h GLU 7 N 0.86 0.52 -0.56 2.45 5.08 -1.71 -0.58 114.58 120.64 2fvh h GLU 7 Ca 0.20 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 2fvh h GLU 7 Cb 0.25 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 2fvh h GLU 7 CO -0.01 0.50 0.29 1.96 -1.00 0.00 0.00 179.01 180.75 2fvh h GLN 8 N 0.43 0.54 -0.74 2.33 4.20 -0.59 -0.98 115.11 120.30 2fvh h GLN 8 Ca 0.12 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2fvh h GLN 8 Cb 0.17 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2fvh h GLN 8 CO -0.01 0.36 0.28 1.49 -0.67 0.00 0.00 178.83 180.27 2fvh h GLU 9 N 0.56 1.12 -0.56 1.46 4.81 -0.72 -1.26 114.58 119.97 2fvh h GLU 9 Ca 0.25 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2fvh h GLU 9 Cb 0.15 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2fvh h GLU 9 CO -0.17 0.93 -0.07 0.00 -0.73 0.00 0.00 179.01 178.97 2fvh h ARG 10 N 1.07 1.03 -0.60 1.92 2.47 -0.52 -0.10 114.38 119.66 2fvh h ARG 10 Ca 0.24 -0.36 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 2fvh h ARG 10 Cb 0.24 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 2fvh h ARG 10 CO -0.02 1.05 0.16 1.25 0.56 0.00 0.00 179.97 182.97 2fvh h LEU 11 N 0.93 0.89 -0.79 3.04 5.85 -1.05 -0.81 115.31 123.36 2fvh h LEU 11 Ca 0.15 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 2fvh h LEU 11 Cb 0.62 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2fvh h LEU 11 CO 0.04 0.88 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.63 2fvh h LEU 12 N 0.86 0.56 -0.89 2.25 3.38 -1.01 -0.81 115.31 119.65 2fvh h LEU 12 Ca 0.19 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2fvh h LEU 12 Cb 0.33 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2fvh h LEU 12 CO -0.00 0.84 -0.12 0.25 0.09 0.00 0.00 178.44 179.50 2fvh h LEU 13 N 0.46 0.67 -0.44 1.67 5.85 -0.73 0.64 115.31 123.43 2fvh h LEU 13 Ca 0.06 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2fvh h LEU 13 Cb 0.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2fvh h LEU 13 CO 0.06 0.82 0.21 -1.28 -0.34 0.00 0.00 178.44 177.91 2fvh h SER 14 N 0.62 0.58 -0.73 1.25 0.87 -0.80 -2.55 113.55 112.78 2fvh h SER 14 Ca 0.11 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2fvh h SER 14 Cb 0.57 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2fvh h SER 14 CO 0.04 0.54 0.42 0.22 -0.53 0.00 0.00 176.83 177.52 2fvh h TYR 15 N 0.57 0.98 -0.98 2.24 3.20 -0.89 -2.23 116.97 119.85 2fvh h TYR 15 Ca 0.15 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.20 2fvh h TYR 15 Cb 0.12 -0.32 -0.09 0.00 1.54 0.00 0.00 36.73 37.98 2fvh h TYR 15 CO -0.01 0.68 0.62 0.00 -1.64 0.00 0.00 178.16 177.80 2fvh h ALA 16 N 1.22 1.85 -0.38 1.82 0.00 -0.58 0.64 119.26 123.83 2fvh h ALA 16 Ca 0.26 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2fvh h ALA 16 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2fvh h ALA 16 CO -0.05 -0.20 -0.24 0.00 0.00 0.00 0.00 179.25 178.76 2fvh h ALA 17 N 1.63 0.86 -0.47 0.00 0.00 -1.01 0.22 119.26 120.48 2fvh h ALA 17 Ca 0.55 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2fvh h ALA 17 Cb 1.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2fvh h ALA 17 CO -0.32 0.63 0.12 1.49 0.00 0.00 0.00 179.25 181.18 2fvh h GLU 18 N 0.67 0.75 -0.57 0.00 4.81 -0.67 0.11 114.58 119.68 2fvh h GLU 18 Ca 0.09 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 2fvh h GLU 18 Cb 0.76 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2fvh h GLU 18 CO 0.06 0.73 0.27 1.25 -0.73 0.00 0.00 179.01 180.59 2fvh h LEU 19 N 0.63 0.74 -0.83 1.64 5.85 -0.80 -1.21 115.31 121.33 2fvh h LEU 19 Ca 0.15 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2fvh h LEU 19 Cb 0.31 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2fvh h LEU 19 CO 0.00 0.67 0.48 0.00 -0.34 0.00 0.00 178.44 179.25 2fvh h ALA 20 N 1.10 1.06 -0.71 1.25 0.00 -0.19 -0.69 119.26 121.08 2fvh h ALA 20 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2fvh h ALA 20 Cb 0.13 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2fvh h ALA 20 CO -0.02 0.55 0.45 0.00 0.00 0.00 0.00 179.25 180.22 2fvh h ARG 21 N 1.15 0.95 -0.35 0.00 3.08 -0.71 0.12 114.38 118.62 2fvh h ARG 21 Ca 0.30 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 2fvh h ARG 21 Cb -0.01 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2fvh h ARG 21 CO -0.05 0.66 0.07 -0.09 -1.07 0.00 0.00 179.97 179.49 2fvh h ARG 22 N 0.98 0.57 -0.19 0.04 2.43 -0.70 -0.21 114.38 117.30 2fvh h ARG 22 Ca 0.26 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2fvh h ARG 22 Cb -0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2fvh h ARG 22 CO -0.05 0.63 0.12 0.00 -1.51 0.00 0.00 179.97 179.16 2fvh h ARG 23 N 0.42 0.25 -0.64 0.20 3.08 -0.65 -2.18 114.38 114.86 2fvh h ARG 23 Ca 0.11 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.20 2fvh h ARG 23 Cb 0.33 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 2fvh h ARG 23 CO 0.00 0.19 0.35 -0.09 -1.07 0.00 0.00 179.97 179.35 2fvh h ARG 24 N 0.23 0.63 -0.02 0.04 9.65 -0.66 -1.83 114.38 122.43 2fvh h ARG 24 Ca 0.07 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2fvh h ARG 24 Cb 0.00 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.44 2fvh h ARG 24 CO -0.01 0.42 0.02 0.00 2.80 0.00 0.00 179.97 183.19 2fvh h ALA 25 N 1.33 1.81 -0.14 2.80 0.00 -0.62 -0.12 119.26 124.32 2fvh h ALA 25 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2fvh h ALA 25 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2fvh h ALA 25 CO -0.18 -0.03 0.00 2.89 0.00 0.00 0.00 179.25 181.93 2fvh n ARG 26 N -4.22 1.88 0.00 0.00 1.85 -0.86 -4.92 116.66 110.39 2fvh n ARG 26 Ca -0.02 -1.30 0.00 0.00 -1.00 0.00 0.00 57.85 55.52 2fvh n ARG 26 Cb 0.11 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 2fvh n ARG 26 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2fvh n GLY 27 N 1.22 1.15 3.78 2.89 0.00 -0.06 -5.10 105.19 109.07 2fvh n GLY 27 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2fvh n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fvh s LEU 28 N 0.00 4.59 0.08 0.99 1.43 -0.73 -5.01 118.68 120.03 2fvh s LEU 28 Ca 0.00 1.63 -0.24 0.00 -1.03 0.00 0.00 54.13 54.49 2fvh s LEU 28 Cb 0.00 -3.29 -0.06 0.00 0.03 0.00 0.00 46.19 42.87 2fvh s LEU 28 CO 0.00 0.21 0.73 -0.13 0.23 0.00 0.00 176.35 177.39 2fvh s ARG 29 N -1.17 4.47 0.44 1.70 0.52 -1.26 -4.11 118.95 119.55 2fvh s ARG 29 Ca 0.36 1.02 -0.22 0.00 -0.52 0.00 0.00 55.73 56.37 2fvh s ARG 29 Cb -0.23 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 31.84 2fvh s ARG 29 CO 0.26 0.43 1.02 -0.51 0.02 0.00 0.00 175.30 176.52 2fvh s LEU 30 N -0.56 3.96 0.00 2.53 1.43 0.21 -4.37 118.68 121.88 2fvh s LEU 30 Ca 0.36 1.89 -0.03 0.00 -1.03 0.00 0.00 54.13 55.33 2fvh s LEU 30 Cb -0.21 -4.44 0.11 0.00 0.03 0.00 0.00 46.19 41.68 2fvh s LEU 30 CO 0.23 -0.58 0.72 -0.46 0.23 0.00 0.00 176.35 176.49 2fvh n ASN 31 N -0.60 0.73 0.14 2.29 0.23 -1.26 -0.73 115.26 116.05 2fvh n ASN 31 Ca 0.07 -1.67 -0.14 0.00 -0.53 0.00 0.00 54.58 52.32 2fvh n ASN 31 Cb 0.52 -0.49 -0.08 0.00 -2.08 0.00 0.00 39.78 37.66 2fvh n ASN 31 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 2fvh h HIS 32 N -0.75 -0.25 -0.35 -2.53 -0.00 -1.97 -0.43 115.15 108.87 2fvh h HIS 32 Ca -0.24 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.07 2fvh h HIS 32 Cb 0.82 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.29 2fvh h HIS 32 CO 0.00 -0.15 -0.01 -1.00 -0.00 0.00 0.00 177.93 176.76 2fvh h PRO 33 N -0.28 0.56 -0.63 5.26 0.13 -1.99 -1.02 132.00 134.03 2fvh h PRO 33 Ca -0.03 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 2fvh h PRO 33 Cb 0.21 -0.08 -0.03 0.00 0.13 0.00 0.00 31.00 31.24 2fvh h PRO 33 CO 0.05 0.60 0.26 0.93 -0.23 0.00 0.00 178.00 179.61 2fvh h GLU 34 N 0.53 0.94 -0.58 0.86 5.08 -1.87 -1.26 114.58 118.29 2fvh h GLU 34 Ca 0.11 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2fvh h GLU 34 Cb 0.37 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2fvh h GLU 34 CO 0.01 0.79 0.20 0.00 -1.00 0.00 0.00 179.01 179.01 2fvh h ALA 35 N 1.11 0.75 -0.23 3.43 0.00 -0.61 -1.38 119.26 122.33 2fvh h ALA 35 Ca 0.21 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2fvh h ALA 35 Cb 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2fvh h ALA 35 CO -0.02 0.40 0.04 0.82 0.00 0.00 0.00 179.25 180.49 2fvh h ILE 36 N 0.80 0.88 -0.47 0.00 2.04 -1.01 -0.90 117.51 118.85 2fvh h ILE 36 Ca 0.19 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.07 2fvh h ILE 36 Cb 0.26 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 2fvh h ILE 36 CO -0.01 0.02 0.14 0.00 0.00 0.00 0.00 178.15 178.30 2fvh h ALA 37 N 1.18 0.56 -0.09 1.87 0.00 -0.87 0.13 119.26 122.03 2fvh h ALA 37 Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2fvh h ALA 37 Cb 0.11 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2fvh h ALA 37 CO -0.15 -0.26 0.01 0.28 0.00 0.00 0.00 179.25 179.13 2fvh h VAL 38 N 0.30 0.95 -0.63 0.00 2.07 -0.86 0.80 116.25 118.88 2fvh h VAL 38 Ca 0.23 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.67 2fvh h VAL 38 Cb 0.26 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2fvh h VAL 38 CO -0.26 0.01 0.16 0.40 0.02 0.00 0.00 177.57 177.90 2fvh h ILE 39 N 0.05 1.25 -0.49 4.57 1.08 -0.90 -1.31 117.51 121.75 2fvh h ILE 39 Ca 0.04 -0.91 0.04 0.00 -0.39 0.00 0.00 64.86 63.64 2fvh h ILE 39 Cb 0.04 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 2fvh h ILE 39 CO -0.06 0.34 0.25 0.00 -0.69 0.00 0.00 178.15 177.99 2fvh h ALA 40 N 1.05 0.63 -0.68 1.87 0.00 -0.60 -2.02 119.26 119.52 2fvh h ALA 40 Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2fvh h ALA 40 Cb 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2fvh h ALA 40 CO 0.00 -0.09 0.43 0.22 0.00 0.00 0.00 179.25 179.80 2fvh h ASP 41 N 0.49 0.71 -0.55 0.00 3.58 -0.62 0.01 116.42 120.04 2fvh h ASP 41 Ca 0.22 -0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.73 2fvh h ASP 41 Cb 0.12 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 2fvh h ASP 41 CO -0.15 0.50 0.23 -0.74 -2.88 0.00 0.00 179.24 176.20 2fvh h HIS 42 N 0.85 0.40 -0.09 0.28 2.76 -0.70 0.16 115.15 118.81 2fvh h HIS 42 Ca 0.27 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 2fvh h HIS 42 Cb -0.01 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 28.85 2fvh h HIS 42 CO -0.04 0.14 0.01 0.82 -1.30 0.00 0.00 177.93 177.57 2fvh h ILE 43 N 0.43 1.22 -0.32 6.26 2.04 -0.84 -0.42 117.51 125.88 2fvh h ILE 43 Ca 0.27 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 2fvh h ILE 43 Cb 0.27 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2fvh h ILE 43 CO -0.24 0.19 0.08 -0.07 0.00 0.00 0.00 178.15 178.11 2fvh h LEU 44 N -0.09 0.49 -0.72 1.44 3.38 -0.67 0.11 115.31 119.26 2fvh h LEU 44 Ca 0.03 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.64 2fvh h LEU 44 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2fvh h LEU 44 CO 0.00 0.59 -0.34 -0.33 0.09 0.00 0.00 178.44 178.46 2fvh h GLU 45 N 0.36 0.60 -0.57 1.13 4.39 -0.72 -1.92 114.58 117.85 2fvh h GLU 45 Ca 0.10 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.50 2fvh h GLU 45 Cb 0.30 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2fvh h GLU 45 CO 0.00 0.86 0.26 0.78 -1.16 0.00 0.00 179.01 179.75 2fvh h GLY 46 N 1.02 0.89 0.70 -3.84 0.00 -0.77 -1.24 103.07 99.82 2fvh h GLY 46 Ca 0.06 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.96 2fvh h GLY 46 CO 0.07 0.43 -0.01 0.00 0.00 0.00 0.00 176.54 177.03 2fvh h ALA 47 N 1.10 0.16 -0.94 3.60 0.00 -0.68 -1.30 119.26 121.20 2fvh h ALA 47 Ca 0.19 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2fvh h ALA 47 Cb 0.14 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2fvh h ALA 47 CO -0.02 -0.44 0.60 -0.09 0.00 0.00 0.00 179.25 179.30 2fvh h ARG 48 N 0.05 0.94 0.00 0.00 9.65 -1.08 -0.01 114.38 123.94 2fvh h ARG 48 Ca 0.09 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2fvh h ARG 48 Cb 0.12 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 2fvh h ARG 48 CO -0.16 0.62 0.00 -0.25 2.80 0.00 0.00 179.97 182.99 2fvh n ASP 49 N -4.54 0.57 0.00 -3.80 8.00 -0.49 -4.90 116.55 111.39 2fvh n ASP 49 Ca 0.16 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.32 2fvh n ASP 49 Cb 0.29 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2fvh n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2fvh n GLY 50 N -0.22 0.39 3.77 0.44 0.00 -0.02 -5.06 105.19 104.50 2fvh n GLY 50 Ca 0.02 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 2fvh n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fvh s ARG 51 N -2.53 2.31 0.39 1.61 1.81 -0.55 -4.97 118.95 117.01 2fvh s ARG 51 Ca 0.00 1.10 -0.07 0.00 -1.72 0.00 0.00 55.73 55.04 2fvh s ARG 51 Cb 0.00 -1.91 -0.05 0.00 -0.45 0.00 0.00 34.95 32.54 2fvh s ARG 51 CO 0.00 -1.59 0.70 0.95 -0.68 0.00 0.00 175.30 174.68 2fvh s THR 52 N -2.93 4.91 0.26 0.02 -4.23 -1.26 -4.64 115.64 107.76 2fvh s THR 52 Ca 0.61 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.38 2fvh s THR 52 Cb -0.17 -3.78 0.24 0.00 1.34 0.00 0.00 72.50 70.14 2fvh s THR 52 CO 0.56 -0.56 1.78 0.58 -0.54 0.00 0.00 174.62 176.44 2fvh h VAL 53 N 0.91 0.79 -0.27 2.29 2.07 -1.99 -1.87 116.25 118.18 2fvh h VAL 53 Ca -0.47 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 66.66 2fvh h VAL 53 Cb 1.19 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2fvh h VAL 53 CO 0.64 0.13 -0.41 0.00 0.02 0.00 0.00 177.57 177.94 2fvh h ALA 54 N 1.53 0.77 -0.34 1.67 0.00 -1.99 -0.35 119.26 120.56 2fvh h ALA 54 Ca 0.45 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2fvh h ALA 54 Cb 0.58 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2fvh h ALA 54 CO -0.32 0.66 0.10 0.93 0.00 0.00 0.00 179.25 180.61 2fvh h GLU 55 N 0.54 0.22 -0.09 0.00 5.08 -1.83 -2.34 114.58 116.15 2fvh h GLU 55 Ca 0.04 -0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2fvh h GLU 55 Cb 0.94 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2fvh h GLU 55 CO 0.08 0.15 -0.59 -0.07 -1.00 0.00 0.00 179.01 177.58 2fvh h LEU 56 N 0.23 0.33 -1.52 1.33 3.38 -0.98 0.14 115.31 118.22 2fvh h LEU 56 Ca 0.15 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2fvh h LEU 56 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2fvh h LEU 56 CO -0.18 0.84 -0.25 0.24 0.09 0.00 0.00 178.44 179.18 2fvh h MET 57 N 0.22 0.00 0.00 1.13 2.86 -0.87 0.13 114.93 118.39 2fvh h MET 57 Ca -0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2fvh h MET 57 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 2fvh h MET 57 CO 0.09 0.25 -0.24 0.00 1.06 0.00 0.00 176.91 178.08 2fvh h ALA 58 N 1.75 0.04 0.00 6.32 0.00 -0.91 -3.36 119.26 123.10 2fvh h ALA 58 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2fvh h ALA 58 Cb 0.49 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2fvh h ALA 58 CO 0.03 0.15 -0.21 0.66 0.00 0.00 0.00 179.25 179.88 2fvh h SER 59 N -1.00 0.00 0.11 0.00 4.64 -0.71 -1.74 113.55 114.85 2fvh h SER 59 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 2fvh h SER 59 Cb 0.75 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2fvh h SER 59 CO -0.03 0.21 -0.03 1.23 -0.87 0.00 0.00 176.83 177.34 2fvh h GLY 60 N 1.13 0.00 0.40 -0.77 0.00 -0.90 -1.06 103.07 101.87 2fvh h GLY 60 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2fvh h GLY 60 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.11 2fvh n ARG 61 N -3.62 1.17 0.00 4.80 1.74 -0.65 -3.87 116.66 116.22 2fvh n ARG 61 Ca -0.03 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.81 2fvh n ARG 61 Cb 0.12 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2fvh n ARG 61 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2fvh n GLU 62 N -0.60 0.85 0.01 5.56 -0.58 -0.41 -4.67 120.64 120.79 2fvh n GLU 62 Ca 0.18 -0.77 -0.19 0.00 -0.42 0.00 0.00 57.16 55.96 2fvh n GLU 62 Cb 0.14 -0.78 -0.10 0.00 -0.57 0.00 0.00 31.44 30.13 2fvh n GLU 62 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2fvh h VAL 63 N 0.99 1.32 -3.76 2.62 2.07 -1.64 -3.45 116.25 114.40 2fvh h VAL 63 Ca 0.00 -2.10 -0.59 0.00 0.82 0.00 0.00 66.70 64.83 2fvh h VAL 63 Cb 0.53 2.33 -0.32 0.00 -1.52 0.00 0.00 31.29 32.31 2fvh h VAL 63 CO 0.00 0.64 -0.85 -0.76 0.02 0.00 0.00 177.57 176.63 2fvh s LEU 64 N -8.29 1.92 0.59 2.57 1.43 -1.26 -5.11 118.68 110.52 2fvh s LEU 64 Ca -0.11 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2fvh s LEU 64 Cb 0.06 -1.07 0.08 0.00 0.03 0.00 0.00 46.19 45.30 2fvh s LEU 64 CO 0.88 0.15 0.69 -0.83 0.23 0.00 0.00 176.35 177.47 2fvh s GLY 65 N 0.15 1.93 0.44 -3.19 0.00 -1.26 -4.61 107.32 100.79 2fvh s GLY 65 Ca -0.08 -1.86 0.10 0.00 0.00 0.00 0.00 44.72 42.88 2fvh s GLY 65 CO 0.04 -1.80 2.08 3.21 0.00 0.00 0.00 173.10 176.63 2fvh h ARG 66 N 0.30 0.37 0.00 2.90 3.08 -1.92 -1.25 114.38 117.86 2fvh h ARG 66 Ca -0.31 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 2fvh h ARG 66 Cb 1.30 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 2fvh h ARG 66 CO 0.46 0.25 -0.28 -0.44 -1.07 0.00 0.00 179.97 178.88 2fvh h ASP 67 N 0.38 0.00 1.33 7.04 3.32 -1.98 -3.15 116.42 123.36 2fvh h ASP 67 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2fvh h ASP 67 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2fvh h ASP 67 CO -0.03 0.28 0.00 0.44 -1.72 0.00 0.00 179.24 178.21 2fvh h ASP 68 N 0.00 0.00 -2.86 6.45 3.32 -1.61 -3.46 116.42 118.27 2fvh h ASP 68 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.53 2fvh h ASP 68 Cb 0.60 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.01 2fvh h ASP 68 CO 0.04 0.00 -0.75 0.68 -1.72 0.00 0.00 179.24 177.49 2fvh s VAL 69 N -3.45 2.02 0.78 -1.35 -7.23 -1.19 -0.62 120.40 109.36 2fvh s VAL 69 Ca 0.04 -2.27 -0.13 0.00 -1.81 0.00 0.00 61.98 57.81 2fvh s VAL 69 Cb 0.08 -2.13 0.07 0.00 0.56 0.00 0.00 36.38 34.96 2fvh s VAL 69 CO 0.57 -0.51 1.16 -0.04 -0.31 0.00 0.00 175.10 175.98 2fvh s MET 70 N -3.55 1.91 0.27 4.82 -1.94 0.09 -4.66 119.30 116.23 2fvh s MET 70 Ca 0.25 1.58 -0.30 0.00 -1.71 0.00 0.00 55.69 55.51 2fvh s MET 70 Cb -0.03 -1.82 -0.13 0.00 2.01 0.00 0.00 34.83 34.86 2fvh s MET 70 CO 0.10 -1.97 1.34 0.39 -0.01 0.00 0.00 175.02 174.87 2fvh n GLU 71 N -3.22 2.00 -0.06 2.03 -0.58 -1.26 -1.44 120.64 118.11 2fvh n GLU 71 Ca 0.12 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 2fvh n GLU 71 Cb 0.51 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 2fvh n GLU 71 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2fvh n GLY 72 N 1.69 2.88 0.25 0.62 0.00 -1.26 -4.89 105.19 104.48 2fvh n GLY 72 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 2fvh n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2fvh h VAL 73 N 0.00 1.29 -0.82 1.61 2.07 -1.58 -3.04 116.25 115.78 2fvh h VAL 73 Ca 0.00 -1.63 0.05 0.00 0.82 0.00 0.00 66.70 65.94 2fvh h VAL 73 Cb 0.00 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2fvh h VAL 73 CO 0.00 0.53 0.54 -0.65 0.02 0.00 0.00 177.57 178.01 2fvh h PRO 74 N 0.62 0.92 0.00 1.57 0.11 -1.89 -0.76 132.00 132.58 2fvh h PRO 74 Ca 0.04 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2fvh h PRO 74 Cb 1.01 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2fvh h PRO 74 CO 0.10 0.61 -0.31 0.93 -0.21 0.00 0.00 178.00 179.12 2fvh h GLU 75 N 0.95 0.00 0.00 1.05 3.07 -1.65 -2.74 114.58 115.26 2fvh h GLU 75 Ca 0.34 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 2fvh h GLU 75 Cb 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2fvh h GLU 75 CO -0.11 0.31 -0.20 0.52 -1.40 0.00 0.00 179.01 178.12 2fvh h MET 76 N 0.00 0.00 -4.05 2.33 2.86 -1.03 -3.39 114.93 111.65 2fvh h MET 76 Ca -0.00 0.00 -0.77 0.00 -2.06 0.00 0.00 59.70 56.86 2fvh h MET 76 Cb 0.81 0.00 -0.24 0.00 0.06 0.00 0.00 31.60 32.23 2fvh h MET 76 CO 0.04 0.20 0.70 -0.51 1.06 0.00 0.00 176.91 178.41 2fvh s LEU 77 N -6.67 5.93 0.18 1.22 1.43 -0.93 -4.77 118.68 115.07 2fvh s LEU 77 Ca 0.01 -3.21 -0.03 0.00 -1.03 0.00 0.00 54.13 49.87 2fvh s LEU 77 Cb 0.10 -2.28 0.09 0.00 0.03 0.00 0.00 46.19 44.12 2fvh s LEU 77 CO 0.63 -0.51 1.48 0.00 0.23 0.00 0.00 176.35 178.18 2fvh h ALA 78 N 7.09 0.66 -2.48 4.21 0.00 -1.82 -3.35 119.26 123.57 2fvh h ALA 78 Ca 0.21 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2fvh h ALA 78 Cb 0.90 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.47 2fvh h ALA 78 CO 1.06 0.70 0.29 -1.83 0.00 0.00 0.00 179.25 179.47 2fvh s GLU 79 N -3.90 1.07 -0.08 0.00 -1.05 -1.26 -0.12 118.70 113.35 2fvh s GLU 79 Ca -0.07 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 2fvh s GLU 79 Cb 0.11 0.50 0.02 0.00 -0.44 0.00 0.00 34.13 34.32 2fvh s GLU 79 CO 0.84 -0.43 -0.07 0.08 0.95 0.00 0.00 175.26 176.63 2fvh s VAL 80 N -2.77 0.90 -0.09 1.83 1.01 0.11 -4.97 120.40 116.42 2fvh s VAL 80 Ca -0.01 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.74 2fvh s VAL 80 Cb -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 2fvh s VAL 80 CO -0.05 0.33 -0.22 -1.58 0.00 0.00 0.00 175.10 173.58 2fvh s GLN 81 N 1.31 2.95 -0.06 2.72 0.74 -1.26 -0.47 119.66 125.58 2fvh s GLN 81 Ca -0.03 -0.84 -0.05 0.00 0.05 0.00 0.00 55.36 54.48 2fvh s GLN 81 Cb -0.14 -2.33 0.02 0.00 1.10 0.00 0.00 33.01 31.66 2fvh s GLN 81 CO -0.03 0.27 0.17 0.54 -0.55 0.00 0.00 175.29 175.68 2fvh s VAL 82 N 0.15 -0.01 -0.05 1.34 0.11 -0.02 -4.98 120.40 116.94 2fvh s VAL 82 Ca -0.12 0.02 -0.25 0.00 -2.93 0.00 0.00 61.98 58.71 2fvh s VAL 82 Cb -0.16 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.41 2fvh s VAL 82 CO 0.06 0.01 0.76 -0.70 -3.33 0.00 0.00 175.10 171.91 2fvh s GLU 83 N 0.25 4.46 0.03 1.54 2.12 -1.26 -0.08 118.70 125.75 2fvh s GLU 83 Ca -0.01 1.00 0.02 0.00 0.36 0.00 0.00 54.97 56.33 2fvh s GLU 83 Cb -0.03 -3.45 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 2fvh s GLU 83 CO -0.01 0.03 -0.06 0.00 -0.54 0.00 0.00 175.26 174.68 2fvh s ALA 84 N 0.88 0.45 -0.25 6.30 0.00 -0.12 -4.97 121.76 124.05 2fvh s ALA 84 Ca 0.41 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 2fvh s ALA 84 Cb -0.18 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2fvh s ALA 84 CO 0.20 -0.01 0.15 0.99 0.00 0.00 0.00 175.76 177.10 2fvh s THR 85 N -1.01 5.17 0.56 0.00 2.01 -1.26 -1.50 115.64 119.61 2fvh s THR 85 Ca -0.07 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2fvh s THR 85 Cb -0.08 -3.42 0.08 0.00 0.01 0.00 0.00 72.50 69.09 2fvh s THR 85 CO 0.00 0.32 0.78 -0.36 -0.69 0.00 0.00 174.62 174.66 2fvh s PHE 86 N 1.34 1.77 0.40 4.92 0.08 0.10 -4.22 117.98 122.36 2fvh s PHE 86 Ca 0.07 -0.57 0.15 0.00 0.12 0.00 0.00 56.93 56.70 2fvh s PHE 86 Cb -0.15 -2.37 1.01 0.00 -0.57 0.00 0.00 43.02 40.94 2fvh s PHE 86 CO 0.07 -1.08 1.85 -1.35 -0.10 0.00 0.00 175.22 174.61 2fvh h PRO 87 N 0.17 0.47 -0.63 0.24 0.11 -1.93 -2.57 132.00 127.86 2fvh h PRO 87 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2fvh h PRO 87 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fvh h PRO 87 CO 0.42 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 2fvh n ASP 88 N -4.55 3.76 0.00 -2.05 5.75 -1.26 -5.03 116.55 113.17 2fvh n ASP 88 Ca 0.19 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2fvh n ASP 88 Cb 0.65 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2fvh n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2fvh n GLY 89 N 0.82 -1.23 3.78 6.12 0.00 -0.97 -5.04 105.19 108.67 2fvh n GLY 89 Ca 0.19 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 2fvh n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fvh s THR 90 N -0.17 4.40 -0.07 2.61 2.01 -1.26 -0.72 115.64 122.44 2fvh s THR 90 Ca 0.00 1.62 -0.11 0.00 0.31 0.00 0.00 61.69 63.52 2fvh s THR 90 Cb 0.00 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2fvh s THR 90 CO 0.00 0.44 0.27 -0.54 -0.69 0.00 0.00 174.62 174.11 2fvh s LYS 91 N -1.35 0.44 0.04 4.92 1.02 -0.56 -4.96 119.74 119.29 2fvh s LYS 91 Ca 0.38 0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.21 2fvh s LYS 91 Cb -0.22 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 2fvh s LYS 91 CO 0.25 -0.09 1.03 -1.17 -0.92 0.00 0.00 175.35 174.45 2fvh s LEU 92 N -0.42 4.40 -0.07 3.17 0.20 -1.26 -0.95 118.68 123.75 2fvh s LEU 92 Ca -0.05 1.78 0.05 0.00 0.69 0.00 0.00 54.13 56.60 2fvh s LEU 92 Cb -0.04 -3.58 -0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2fvh s LEU 92 CO 0.02 -0.27 -0.23 -0.69 -0.29 0.00 0.00 176.35 174.89 2fvh s VAL 93 N 0.77 1.93 -0.11 1.68 1.01 0.88 -4.95 120.40 121.61 2fvh s VAL 93 Ca 0.52 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.55 2fvh s VAL 93 Cb -0.24 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2fvh s VAL 93 CO 0.29 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.87 2fvh s THR 94 N 0.09 1.58 -0.27 3.92 2.01 -1.26 -0.84 115.64 120.88 2fvh s THR 94 Ca -0.10 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 2fvh s THR 94 Cb -0.15 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2fvh s THR 94 CO 0.05 0.46 0.28 -0.69 -0.69 0.00 0.00 174.62 174.04 2fvh s VAL 95 N 0.97 5.25 -0.08 3.82 1.01 0.37 -4.84 120.40 126.90 2fvh s VAL 95 Ca -0.06 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 2fvh s VAL 95 Cb -0.15 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2fvh s VAL 95 CO -0.02 0.22 0.33 -1.00 0.00 0.00 0.00 175.10 174.63 2fvh s HIS 96 N 1.80 3.60 -1.05 5.22 3.76 -1.26 -0.71 115.29 126.64 2fvh s HIS 96 Ca 0.12 0.77 -0.22 0.00 -0.15 0.00 0.00 55.06 55.58 2fvh s HIS 96 Cb -0.16 -2.27 0.03 0.00 1.11 0.00 0.00 32.58 31.30 2fvh s HIS 96 CO 0.10 0.48 0.63 0.94 -0.85 0.00 0.00 174.74 176.04 2fvh n GLN 97 N 2.59 -0.68 0.30 1.40 7.27 0.82 -4.80 117.38 124.28 2fvh n GLN 97 Ca -0.14 0.29 0.20 0.00 0.07 0.00 0.00 57.00 57.42 2fvh n GLN 97 Cb 0.53 -2.27 0.92 0.00 2.41 0.00 0.00 30.24 31.83 2fvh n GLN 97 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2fvh h PRO 98 N -1.70 0.00 0.00 3.69 0.13 -1.79 -3.38 132.00 128.95 2fvh h PRO 98 Ca -0.67 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 2fvh h PRO 98 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2fvh h PRO 98 CO 0.45 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.34 2fvh n ILE 99 N -3.10 0.93 0.00 -3.56 5.41 -1.26 -4.30 119.36 113.48 2fvh n ILE 99 Ca -0.01 0.31 0.00 0.00 1.00 0.00 0.00 62.75 64.05 2fvh n ILE 99 Cb 0.20 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 2fvh n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55