#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fvh n LEU 3 N 0.00 5.24 -4.75 6.15 4.32 -1.26 -4.63 117.00 122.07 2fvh n LEU 3 Ca 0.00 -3.36 -0.33 0.00 -0.02 0.00 0.00 56.01 52.30 2fvh n LEU 3 Cb 0.00 -1.31 0.06 0.00 -1.62 0.00 0.00 43.42 40.56 2fvh n LEU 3 CO 0.00 0.29 0.76 0.28 -1.22 0.00 0.00 177.39 177.49 2fvh s THR 4 N 4.18 2.94 0.45 -5.08 -1.32 -1.26 -4.76 115.64 110.80 2fvh s THR 4 Ca 0.53 0.44 0.32 0.00 -1.21 0.00 0.00 61.69 61.77 2fvh s THR 4 Cb 0.14 -2.96 0.52 0.00 -1.51 0.00 0.00 72.50 68.69 2fvh s THR 4 CO 0.03 -0.27 1.62 -0.65 -2.21 0.00 0.00 174.62 173.14 2fvh h PRO 5 N -0.12 0.07 -0.35 7.08 0.11 -1.99 0.20 132.00 137.00 2fvh h PRO 5 Ca -0.47 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2fvh h PRO 5 Cb 1.26 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2fvh h PRO 5 CO 0.52 0.04 -0.16 0.45 -0.21 0.00 0.00 178.00 178.64 2fvh h HIS 6 N 0.07 0.69 -0.02 0.65 3.86 -1.94 -1.01 115.15 117.45 2fvh h HIS 6 Ca 0.83 -0.13 -0.14 0.00 -1.16 0.00 0.00 60.37 59.77 2fvh h HIS 6 Cb 2.70 -0.18 0.01 0.00 1.06 0.00 0.00 27.41 31.01 2fvh h HIS 6 CO -0.00 0.76 -0.54 0.93 0.86 0.00 0.00 177.93 179.94 2fvh h GLU 7 N 0.57 0.40 -0.53 2.45 4.39 -0.92 -1.44 114.58 119.50 2fvh h GLU 7 Ca 0.09 -0.40 0.07 0.00 0.34 0.00 0.00 59.36 59.46 2fvh h GLU 7 Cb 0.60 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.30 2fvh h GLU 7 CO 0.04 1.07 0.20 1.96 -1.16 0.00 0.00 179.01 181.11 2fvh h GLN 8 N -0.10 0.37 -0.77 2.33 4.20 -1.21 -1.18 115.11 118.74 2fvh h GLN 8 Ca -0.06 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 2fvh h GLN 8 Cb 1.24 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.90 2fvh h GLN 8 CO 0.11 0.24 0.32 1.49 -0.67 0.00 0.00 178.83 180.32 2fvh h GLU 9 N 0.38 1.15 -0.45 1.46 4.81 -1.09 0.76 114.58 121.59 2fvh h GLU 9 Ca 0.26 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2fvh h GLU 9 Cb 0.29 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2fvh h GLU 9 CO -0.26 0.92 0.20 -0.09 -0.73 0.00 0.00 179.01 179.05 2fvh h ARG 10 N 1.12 0.66 -0.38 1.92 2.43 -0.88 -0.66 114.38 118.60 2fvh h ARG 10 Ca 0.26 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 2fvh h ARG 10 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2fvh h ARG 10 CO -0.02 0.59 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.72 2fvh h LEU 11 N 0.59 0.79 -0.51 3.80 3.38 -0.86 -1.34 115.31 121.16 2fvh h LEU 11 Ca 0.15 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2fvh h LEU 11 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2fvh h LEU 11 CO -0.02 0.99 0.21 -0.07 0.09 0.00 0.00 178.44 179.65 2fvh h LEU 12 N 0.67 0.70 -1.07 1.67 3.38 -0.61 -0.26 115.31 119.79 2fvh h LEU 12 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2fvh h LEU 12 Cb 0.75 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2fvh h LEU 12 CO 0.06 0.67 0.21 0.25 0.09 0.00 0.00 178.44 179.71 2fvh h LEU 13 N 0.68 0.80 0.01 1.67 5.85 -0.94 0.14 115.31 123.52 2fvh h LEU 13 Ca 0.17 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2fvh h LEU 13 Cb 0.18 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2fvh h LEU 13 CO -0.02 0.74 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.54 2fvh h SER 14 N 0.85 -0.01 -0.54 1.25 0.87 -0.95 -0.36 113.55 114.66 2fvh h SER 14 Ca 0.20 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2fvh h SER 14 Cb 0.21 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2fvh h SER 14 CO -0.01 0.33 0.13 0.22 -0.53 0.00 0.00 176.83 176.96 2fvh h TYR 15 N -0.34 0.95 -0.98 2.24 3.20 -0.87 -1.10 116.97 120.06 2fvh h TYR 15 Ca -0.00 -0.10 0.03 0.00 3.14 0.00 0.00 58.73 61.79 2fvh h TYR 15 Cb 0.34 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 2fvh h TYR 15 CO 0.04 0.80 0.65 0.00 -1.64 0.00 0.00 178.16 178.00 2fvh h ALA 16 N 1.26 1.28 -0.71 1.82 0.00 -0.51 0.12 119.26 122.52 2fvh h ALA 16 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2fvh h ALA 16 Cb 0.34 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2fvh h ALA 16 CO 0.00 0.58 0.24 0.00 0.00 0.00 0.00 179.25 180.07 2fvh h ALA 17 N 1.38 1.08 -0.71 0.00 0.00 -0.59 0.15 119.26 120.58 2fvh h ALA 17 Ca 0.38 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2fvh h ALA 17 Cb -0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2fvh h ALA 17 CO -0.10 0.63 0.24 1.49 0.00 0.00 0.00 179.25 181.51 2fvh h GLU 18 N 1.05 1.08 -0.44 0.00 4.81 -0.00 -0.38 114.58 120.70 2fvh h GLU 18 Ca 0.23 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 2fvh h GLU 18 Cb 0.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2fvh h GLU 18 CO -0.01 0.92 -0.21 1.25 -0.73 0.00 0.00 179.01 180.22 2fvh h LEU 19 N 1.03 0.94 -0.71 1.64 5.85 -0.48 -1.59 115.31 121.98 2fvh h LEU 19 Ca 0.23 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2fvh h LEU 19 Cb 0.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2fvh h LEU 19 CO -0.01 1.14 0.22 0.00 -0.34 0.00 0.00 178.44 179.45 2fvh h ALA 20 N 0.83 0.93 -0.93 1.25 0.00 -0.79 -0.78 119.26 119.78 2fvh h ALA 20 Ca 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2fvh h ALA 20 Cb 0.78 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2fvh h ALA 20 CO 0.06 0.61 0.58 0.00 0.00 0.00 0.00 179.25 180.51 2fvh h ARG 21 N 1.05 1.25 -0.76 0.00 3.08 -0.84 -0.17 114.38 117.98 2fvh h ARG 21 Ca 0.23 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2fvh h ARG 21 Cb 0.31 -0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2fvh h ARG 21 CO -0.01 0.86 0.40 -0.09 -1.07 0.00 0.00 179.97 180.06 2fvh h ARG 22 N 1.27 1.07 -0.13 0.04 2.43 -0.80 0.69 114.38 118.94 2fvh h ARG 22 Ca 0.34 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 2fvh h ARG 22 Cb -0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 2fvh h ARG 22 CO -0.07 0.81 0.03 0.00 -1.51 0.00 0.00 179.97 179.23 2fvh h ARG 23 N 1.06 0.21 -0.94 0.20 3.08 -0.66 -2.25 114.38 115.08 2fvh h ARG 23 Ca 0.27 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2fvh h ARG 23 Cb 0.06 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 2fvh h ARG 23 CO -0.04 0.38 0.60 -0.09 -1.07 0.00 0.00 179.97 179.76 2fvh h ARG 24 N 0.00 1.25 0.00 0.04 9.65 -0.88 -1.69 114.38 122.75 2fvh h ARG 24 Ca 0.04 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2fvh h ARG 24 Cb 0.27 -0.27 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2fvh h ARG 24 CO 0.00 0.84 0.00 0.00 2.80 0.00 0.00 179.97 183.62 2fvh h ALA 25 N 1.33 1.00 -0.32 2.80 0.00 -0.58 -0.77 119.26 122.73 2fvh h ALA 25 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2fvh h ALA 25 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2fvh h ALA 25 CO -0.07 0.00 0.00 2.89 0.00 0.00 0.00 179.25 182.07 2fvh n ARG 26 N -2.57 2.40 0.00 0.00 1.85 -0.87 -4.97 116.66 112.50 2fvh n ARG 26 Ca 0.01 -2.18 0.00 0.00 -1.00 0.00 0.00 57.85 54.68 2fvh n ARG 26 Cb 0.21 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 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 1.40 0.85 3.78 2.89 0.00 -0.29 -5.09 105.19 108.73 2fvh n GLY 27 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 4.21 0.08 0.99 1.43 -0.67 -4.98 118.68 119.75 2fvh s LEU 28 Ca 0.00 1.94 -0.27 0.00 -1.03 0.00 0.00 54.13 54.77 2fvh s LEU 28 Cb 0.00 -4.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.03 2fvh s LEU 28 CO 0.00 -0.31 0.83 -0.13 0.23 0.00 0.00 176.35 176.97 2fvh s ARG 29 N -2.36 4.57 0.40 1.70 0.52 -1.26 -4.07 118.95 118.45 2fvh s ARG 29 Ca 0.55 1.20 -0.23 0.00 -0.52 0.00 0.00 55.73 56.73 2fvh s ARG 29 Cb -0.20 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 31.82 2fvh s ARG 29 CO 0.25 0.30 1.01 -0.51 0.02 0.00 0.00 175.30 176.37 2fvh s LEU 30 N -0.18 4.11 0.00 2.53 1.43 0.03 -4.41 118.68 122.19 2fvh s LEU 30 Ca 0.41 1.91 -0.04 0.00 -1.03 0.00 0.00 54.13 55.38 2fvh s LEU 30 Cb -0.22 -4.26 0.10 0.00 0.03 0.00 0.00 46.19 41.85 2fvh s LEU 30 CO 0.26 -0.41 0.66 -0.46 0.23 0.00 0.00 176.35 176.63 2fvh n ASN 31 N -0.15 0.45 0.16 2.29 0.23 -1.26 -0.80 115.26 116.18 2fvh n ASN 31 Ca 0.05 -1.48 -0.14 0.00 -0.53 0.00 0.00 54.58 52.48 2fvh n ASN 31 Cb 0.51 -0.47 -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 -0.94 -0.35 -0.39 -2.53 -0.00 -1.96 -0.76 115.15 108.23 2fvh h HIS 32 Ca -0.22 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.10 2fvh h HIS 32 Cb 0.69 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.20 2fvh h HIS 32 CO 0.00 -0.11 0.03 -1.00 -0.00 0.00 0.00 177.93 176.84 2fvh h PRO 33 N -0.52 0.60 -0.60 5.26 0.13 -1.99 -1.99 132.00 132.89 2fvh h PRO 33 Ca -0.04 -0.13 0.01 0.00 -0.87 0.00 0.00 66.00 64.97 2fvh h PRO 33 Cb 0.39 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.40 2fvh h PRO 33 CO 0.06 0.60 0.39 0.93 -0.23 0.00 0.00 178.00 179.76 2fvh h GLU 34 N 0.57 0.78 -0.50 0.86 5.08 -1.89 -1.28 114.58 118.20 2fvh h GLU 34 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2fvh h GLU 34 Cb 0.33 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2fvh h GLU 34 CO 0.01 0.51 0.17 0.00 -1.00 0.00 0.00 179.01 178.70 2fvh h ALA 35 N 1.22 0.65 -0.32 3.43 0.00 -0.75 -1.66 119.26 121.83 2fvh h ALA 35 Ca 0.22 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2fvh h ALA 35 Cb -0.08 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.46 2fvh h ALA 35 CO -0.05 0.29 -0.07 0.82 0.00 0.00 0.00 179.25 180.24 2fvh h ILE 36 N 0.67 0.69 -0.66 0.00 2.04 -1.31 -1.02 117.51 117.92 2fvh h ILE 36 Ca 0.16 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.07 2fvh h ILE 36 Cb 0.25 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2fvh h ILE 36 CO -0.01 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.52 2fvh h ALA 37 N 1.32 0.87 -0.58 1.87 0.00 -0.80 0.20 119.26 122.14 2fvh h ALA 37 Ca 0.16 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2fvh h ALA 37 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2fvh h ALA 37 CO -0.32 0.07 0.00 0.28 0.00 0.00 0.00 179.25 179.28 2fvh h VAL 38 N 0.70 1.26 -0.14 0.00 2.07 -0.95 0.48 116.25 119.68 2fvh h VAL 38 Ca 0.29 -1.13 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 2fvh h VAL 38 Cb 0.14 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2fvh h VAL 38 CO -0.16 0.41 -0.30 0.40 0.02 0.00 0.00 177.57 177.94 2fvh h ILE 39 N 0.91 1.36 -0.91 4.57 2.04 -0.79 -1.77 117.51 122.93 2fvh h ILE 39 Ca 0.16 -1.56 0.07 0.00 1.00 0.00 0.00 64.86 64.53 2fvh h ILE 39 Cb 0.55 2.02 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 2fvh h ILE 39 CO 0.03 0.47 0.57 0.00 0.00 0.00 0.00 178.15 179.22 2fvh h ALA 40 N 0.55 1.27 -0.25 1.87 0.00 -0.40 -1.85 119.26 120.45 2fvh h ALA 40 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2fvh h ALA 40 Cb 0.89 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2fvh h ALA 40 CO 0.07 0.31 -0.26 0.22 0.00 0.00 0.00 179.25 179.58 2fvh h ASP 41 N 1.02 0.48 -0.75 0.00 3.58 -0.77 0.14 116.42 120.12 2fvh h ASP 41 Ca 0.41 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 2fvh h ASP 41 Cb 0.21 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2fvh h ASP 41 CO -0.19 0.73 0.46 -0.74 -2.88 0.00 0.00 179.24 176.63 2fvh h HIS 42 N 0.42 0.98 -0.15 0.28 2.76 -0.69 -0.55 115.15 118.21 2fvh h HIS 42 Ca 0.06 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 2fvh h HIS 42 Cb 0.68 -0.32 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 2fvh h HIS 42 CO 0.02 0.65 -0.03 0.82 -1.30 0.00 0.00 177.93 178.10 2fvh h ILE 43 N 1.03 1.28 -0.16 6.26 2.04 -0.74 -0.11 117.51 127.10 2fvh h ILE 43 Ca 0.27 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2fvh h ILE 43 Cb -0.05 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2fvh h ILE 43 CO -0.05 0.28 0.10 -0.07 0.00 0.00 0.00 178.15 178.41 2fvh h LEU 44 N -0.02 0.17 -0.42 1.44 3.38 -0.74 -0.07 115.31 119.05 2fvh h LEU 44 Ca 0.04 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2fvh h LEU 44 Cb 0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2fvh h LEU 44 CO 0.01 0.12 -0.48 -0.33 0.09 0.00 0.00 178.44 177.85 2fvh h GLU 45 N 0.21 0.79 -0.62 1.13 4.39 -1.12 -1.85 114.58 117.51 2fvh h GLU 45 Ca 0.06 -0.46 0.03 0.00 0.34 0.00 0.00 59.36 59.33 2fvh h GLU 45 Cb -0.02 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 2fvh h GLU 45 CO -0.02 1.09 0.38 0.78 -1.16 0.00 0.00 179.01 180.08 2fvh h GLY 46 N 0.84 0.89 1.01 -3.84 0.00 -0.79 -0.25 103.07 100.93 2fvh h GLY 46 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2fvh h GLY 46 CO 0.11 0.23 0.55 0.00 0.00 0.00 0.00 176.54 177.43 2fvh h ALA 47 N 1.28 1.10 -0.47 3.60 0.00 -0.91 -1.56 119.26 122.29 2fvh h ALA 47 Ca 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2fvh h ALA 47 Cb 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2fvh h ALA 47 CO -0.11 0.53 0.23 -0.09 0.00 0.00 0.00 179.25 179.81 2fvh h ARG 48 N 1.18 0.65 0.00 0.00 9.65 -0.51 -1.51 114.38 123.84 2fvh h ARG 48 Ca 0.31 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2fvh h ARG 48 Cb -0.09 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.36 2fvh h ARG 48 CO -0.06 0.51 0.00 -0.44 2.80 0.00 0.00 179.97 182.78 2fvh h ASP 49 N 0.66 0.00 0.00 -3.80 3.32 -0.61 -3.47 116.42 112.52 2fvh h ASP 49 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2fvh h ASP 49 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2fvh h ASP 49 CO -0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.11 2fvh n GLY 50 N 0.02 0.91 3.68 2.75 0.00 -0.57 -5.08 105.19 106.90 2fvh n GLY 50 Ca 0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.77 1.18 0.44 1.61 1.81 -0.63 -4.99 118.95 117.60 2fvh s ARG 51 Ca 0.00 1.63 0.00 0.00 -1.72 0.00 0.00 55.73 55.64 2fvh s ARG 51 Cb 0.00 -1.74 -0.01 0.00 -0.45 0.00 0.00 34.95 32.76 2fvh s ARG 51 CO 0.00 -2.53 0.67 0.95 -0.68 0.00 0.00 175.30 173.71 2fvh s THR 52 N -2.49 4.09 0.25 0.02 -4.23 -1.26 -4.60 115.64 107.42 2fvh s THR 52 Ca 0.69 -0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 2fvh s THR 52 Cb -0.25 -3.51 0.22 0.00 1.34 0.00 0.00 72.50 70.30 2fvh s THR 52 CO 0.56 -0.36 1.80 0.58 -0.54 0.00 0.00 174.62 176.66 2fvh h VAL 53 N 0.42 0.87 -0.56 2.29 2.07 -1.99 -1.95 116.25 117.40 2fvh h VAL 53 Ca -0.46 -0.26 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 2fvh h VAL 53 Cb 1.25 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2fvh h VAL 53 CO 0.58 0.14 -0.05 0.00 0.02 0.00 0.00 177.57 178.25 2fvh h ALA 54 N 1.48 0.77 -0.50 1.67 0.00 -1.99 0.78 119.26 121.46 2fvh h ALA 54 Ca 0.42 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2fvh h ALA 54 Cb 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2fvh h ALA 54 CO -0.27 0.64 0.32 0.93 0.00 0.00 0.00 179.25 180.87 2fvh h GLU 55 N 0.92 0.62 -0.11 0.00 5.08 -1.87 -2.80 114.58 116.43 2fvh h GLU 55 Ca 0.15 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2fvh h GLU 55 Cb 0.62 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2fvh h GLU 55 CO 0.04 0.41 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.90 2fvh h LEU 56 N 0.64 0.30 -1.22 1.33 3.38 -0.90 0.83 115.31 119.67 2fvh h LEU 56 Ca 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2fvh h LEU 56 Cb -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2fvh h LEU 56 CO -0.07 0.75 0.26 0.24 0.09 0.00 0.00 178.44 179.71 2fvh h MET 57 N 0.22 0.80 0.07 1.13 2.86 -0.69 0.74 114.93 120.06 2fvh h MET 57 Ca 0.01 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 2fvh h MET 57 Cb 0.95 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2fvh h MET 57 CO 0.08 0.63 -0.68 0.00 1.06 0.00 0.00 176.91 178.00 2fvh h ALA 58 N 1.49 0.03 0.00 6.32 0.00 -1.23 -3.36 119.26 122.51 2fvh h ALA 58 Ca 0.20 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 2fvh h ALA 58 Cb 0.11 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2fvh h ALA 58 CO -0.02 0.36 -0.51 0.66 0.00 0.00 0.00 179.25 179.74 2fvh h SER 59 N -0.66 0.00 0.15 0.00 4.64 -0.81 -2.30 113.55 114.57 2fvh h SER 59 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2fvh h SER 59 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2fvh h SER 59 CO 0.04 0.51 0.00 1.23 -0.87 0.00 0.00 176.83 177.73 2fvh h GLY 60 N 1.73 0.00 0.90 -0.77 0.00 -1.01 0.22 103.07 104.14 2fvh h GLY 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2fvh h GLY 60 CO 0.07 0.00 -0.12 0.54 0.00 0.00 0.00 176.54 177.03 2fvh n ARG 61 N -3.02 0.67 -0.17 4.80 1.74 -0.86 -4.00 116.66 115.82 2fvh n ARG 61 Ca -0.02 -0.23 0.05 0.00 -0.77 0.00 0.00 57.85 56.87 2fvh n ARG 61 Cb 0.10 -1.50 0.13 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 -0.96 2.84 -0.05 5.56 1.02 0.06 -4.67 120.64 124.45 2fvh n GLU 62 Ca 0.14 -2.06 -0.20 0.00 -0.02 0.00 0.00 57.16 55.02 2fvh n GLU 62 Cb 0.28 -1.30 -0.13 0.00 -0.02 0.00 0.00 31.44 30.27 2fvh n GLU 62 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2fvh h VAL 63 N 1.48 1.21 -4.36 2.62 2.07 -1.69 -3.46 116.25 114.12 2fvh h VAL 63 Ca 0.00 -2.31 -0.57 0.00 0.82 0.00 0.00 66.70 64.64 2fvh h VAL 63 Cb 0.79 2.73 -0.29 0.00 -1.52 0.00 0.00 31.29 32.99 2fvh h VAL 63 CO 0.03 0.53 -0.84 -0.76 0.02 0.00 0.00 177.57 176.55 2fvh s LEU 64 N -7.85 2.03 0.53 2.57 1.43 -1.26 -5.11 118.68 111.01 2fvh s LEU 64 Ca -0.23 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2fvh s LEU 64 Cb 0.03 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2fvh s LEU 64 CO 0.68 0.23 0.22 -0.83 0.23 0.00 0.00 176.35 176.88 2fvh s GLY 65 N -0.43 2.68 0.40 -3.19 0.00 -1.26 -4.44 107.32 101.09 2fvh s GLY 65 Ca 0.07 -0.82 0.12 0.00 0.00 0.00 0.00 44.72 44.09 2fvh s GLY 65 CO -0.01 -2.06 1.93 3.21 0.00 0.00 0.00 173.10 176.17 2fvh h ARG 66 N 1.02 0.51 0.00 2.90 3.08 -1.93 -0.91 114.38 119.04 2fvh h ARG 66 Ca -0.40 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2fvh h ARG 66 Cb 1.31 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.24 2fvh h ARG 66 CO 0.65 0.34 0.00 -0.44 -1.07 0.00 0.00 179.97 179.45 2fvh h ASP 67 N 0.52 0.00 0.61 7.04 5.19 -1.98 -3.08 116.42 124.72 2fvh h ASP 67 Ca 0.35 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2fvh h ASP 67 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2fvh h ASP 67 CO -0.12 0.00 -0.73 0.47 -3.12 0.00 0.00 179.24 175.73 2fvh n ASP 68 N -2.74 0.62 -4.32 6.45 8.00 -0.35 -4.89 116.55 119.33 2fvh n ASP 68 Ca 0.00 -0.11 -0.18 0.00 0.71 0.00 0.00 54.79 55.21 2fvh n ASP 68 Cb 0.21 0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.63 2fvh n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2fvh s VAL 69 N -3.13 1.61 0.85 2.53 -7.23 -1.17 -0.79 120.40 113.08 2fvh s VAL 69 Ca 0.07 -2.10 -0.10 0.00 -1.81 0.00 0.00 61.98 58.03 2fvh s VAL 69 Cb 0.15 -1.93 0.11 0.00 0.56 0.00 0.00 36.38 35.26 2fvh s VAL 69 CO 0.75 -0.57 1.12 -0.04 -0.31 0.00 0.00 175.10 176.05 2fvh s MET 70 N -3.45 1.54 0.27 4.82 -1.94 0.02 -4.71 119.30 115.84 2fvh s MET 70 Ca 0.19 1.39 -0.30 0.00 -1.71 0.00 0.00 55.69 55.27 2fvh s MET 70 Cb -0.01 -1.80 -0.14 0.00 2.01 0.00 0.00 34.83 34.89 2fvh s MET 70 CO 0.05 -2.22 1.23 0.39 -0.01 0.00 0.00 175.02 174.47 2fvh n GLU 71 N -3.93 1.75 0.00 2.03 1.02 -1.26 -1.80 120.64 118.45 2fvh n GLU 71 Ca 0.11 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 2fvh n GLU 71 Cb 0.52 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 2fvh n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fvh n GLY 72 N 1.50 3.09 0.18 0.62 0.00 -1.26 -4.89 105.19 104.42 2fvh n GLY 72 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 1.21 -0.34 1.61 2.07 -1.70 -1.76 116.25 117.34 2fvh h VAL 73 Ca 0.00 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2fvh h VAL 73 Cb 0.00 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2fvh h VAL 73 CO 0.00 0.24 0.18 -0.65 0.02 0.00 0.00 177.57 177.35 2fvh h PRO 74 N 0.42 0.46 -0.14 1.57 0.11 -1.91 -0.72 132.00 131.79 2fvh h PRO 74 Ca 0.11 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 2fvh h PRO 74 Cb 0.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 2fvh h PRO 74 CO -0.00 0.35 -0.57 0.93 -0.21 0.00 0.00 178.00 178.50 2fvh h GLU 75 N 0.47 0.43 0.00 1.05 3.07 -1.90 -3.11 114.58 114.58 2fvh h GLU 75 Ca 0.12 -0.28 -0.08 0.00 -0.50 0.00 0.00 59.36 58.62 2fvh h GLU 75 Cb 0.03 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2fvh h GLU 75 CO -0.02 0.88 -0.37 0.52 -1.40 0.00 0.00 179.01 178.63 2fvh h MET 76 N 0.33 0.00 -4.24 2.33 2.86 -0.68 -3.40 114.93 112.13 2fvh h MET 76 Ca 0.00 0.00 -0.76 0.00 -2.06 0.00 0.00 59.70 56.88 2fvh h MET 76 Cb 1.09 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.53 2fvh h MET 76 CO 0.10 0.37 0.98 -1.17 1.06 0.00 0.00 176.91 178.24 2fvh s LEU 77 N -6.51 5.60 0.26 1.22 2.96 -0.34 -4.82 118.68 117.06 2fvh s LEU 77 Ca 0.04 -3.27 0.03 0.00 -0.22 0.00 0.00 54.13 50.71 2fvh s LEU 77 Cb 0.08 -2.32 0.35 0.00 0.50 0.00 0.00 46.19 44.80 2fvh s LEU 77 CO 0.71 -0.55 1.66 0.00 -1.32 0.00 0.00 176.35 176.85 2fvh h ALA 78 N 6.93 1.00 -2.20 5.97 0.00 -1.81 -3.39 119.26 125.77 2fvh h ALA 78 Ca 0.26 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.89 2fvh h ALA 78 Cb 0.87 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 2fvh h ALA 78 CO 1.15 0.61 0.53 -1.83 0.00 0.00 0.00 179.25 179.71 2fvh s GLU 79 N -4.21 0.81 -0.07 0.00 -1.05 -1.26 -0.13 118.70 112.78 2fvh s GLU 79 Ca -0.06 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.47 2fvh s GLU 79 Cb 0.13 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 2fvh s GLU 79 CO 0.79 -0.36 -0.18 0.08 0.95 0.00 0.00 175.26 176.55 2fvh s VAL 80 N -3.06 1.58 -0.13 1.83 1.01 -0.32 -4.94 120.40 116.37 2fvh s VAL 80 Ca 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2fvh s VAL 80 Cb -0.01 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.99 2fvh s VAL 80 CO -0.07 0.45 -0.21 -1.10 0.00 0.00 0.00 175.10 174.17 2fvh s GLN 81 N 0.38 2.89 -0.04 2.72 -0.21 -1.26 -0.89 119.66 123.25 2fvh s GLN 81 Ca -0.14 -0.81 -0.05 0.00 0.02 0.00 0.00 55.36 54.38 2fvh s GLN 81 Cb -0.16 -2.34 0.01 0.00 1.00 0.00 0.00 33.01 31.52 2fvh s GLN 81 CO 0.05 -0.02 0.13 0.14 -2.12 0.00 0.00 175.29 173.48 2fvh s VAL 82 N 0.82 0.01 -0.37 1.09 -7.23 -0.43 -4.97 120.40 109.33 2fvh s VAL 82 Ca -0.07 -0.10 -0.27 0.00 -1.81 0.00 0.00 61.98 59.72 2fvh s VAL 82 Cb -0.15 -0.23 0.02 0.00 0.56 0.00 0.00 36.38 36.58 2fvh s VAL 82 CO -0.02 -0.06 1.00 -1.61 -0.31 0.00 0.00 175.10 174.11 2fvh s GLU 83 N -0.13 3.90 0.20 4.82 2.02 -1.26 -0.38 118.70 127.87 2fvh s GLU 83 Ca -0.02 0.73 0.08 0.00 0.02 0.00 0.00 54.97 55.78 2fvh s GLU 83 Cb -0.02 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.37 2fvh s GLU 83 CO 0.00 -0.99 0.01 0.00 0.02 0.00 0.00 175.26 174.30 2fvh s ALA 84 N 3.66 3.21 -0.30 5.21 0.00 0.14 -4.93 121.76 128.76 2fvh s ALA 84 Ca 0.42 -1.45 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 2fvh s ALA 84 Cb -0.11 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2fvh s ALA 84 CO 0.19 0.41 0.35 0.99 0.00 0.00 0.00 175.76 177.70 2fvh s THR 85 N -1.91 5.18 0.43 0.00 2.01 -1.26 -1.32 115.64 118.77 2fvh s THR 85 Ca 0.29 0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.69 2fvh s THR 85 Cb -0.08 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.70 2fvh s THR 85 CO 0.19 0.06 0.54 -0.36 -0.69 0.00 0.00 174.62 174.37 2fvh s PHE 86 N 2.03 2.70 0.19 4.92 0.08 0.64 -3.78 117.98 124.76 2fvh s PHE 86 Ca 0.13 -0.44 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 2fvh s PHE 86 Cb -0.16 -2.32 0.17 0.00 -0.57 0.00 0.00 43.02 40.13 2fvh s PHE 86 CO 0.11 -0.40 1.64 -1.35 -0.10 0.00 0.00 175.22 175.11 2fvh h PRO 87 N 0.69 -0.03 -1.56 0.24 0.11 -1.94 -2.66 132.00 126.86 2fvh h PRO 87 Ca -0.40 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.43 2fvh h PRO 87 Cb 1.28 0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.27 2fvh h PRO 87 CO 0.47 -0.02 0.37 -0.40 -0.21 0.00 0.00 178.00 178.21 2fvh n ASP 88 N -5.39 6.24 0.00 -2.05 5.75 -1.26 -5.00 116.55 114.84 2fvh n ASP 88 Ca 0.05 -2.98 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 2fvh n ASP 88 Cb 0.29 -1.05 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 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 0.46 -3.72 3.76 6.12 0.00 -1.00 -4.98 105.19 105.83 2fvh n GLY 89 Ca 0.26 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.83 4.67 0.03 2.61 2.01 -1.26 -0.26 115.64 122.61 2fvh s THR 90 Ca 0.00 1.54 0.02 0.00 0.31 0.00 0.00 61.69 63.56 2fvh s THR 90 Cb 0.00 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 2fvh s THR 90 CO 0.00 0.43 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.75 2fvh s LYS 91 N -0.46 0.50 -0.12 4.92 1.02 -0.43 -4.94 119.74 120.23 2fvh s LYS 91 Ca 0.36 -0.58 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 2fvh s LYS 91 Cb -0.21 -0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 36.76 2fvh s LYS 91 CO 0.22 0.07 0.97 -1.17 -0.92 0.00 0.00 175.35 174.52 2fvh s LEU 92 N -1.11 4.23 -0.15 3.17 2.96 -1.26 -0.68 118.68 125.83 2fvh s LEU 92 Ca -0.06 1.45 -0.03 0.00 -0.22 0.00 0.00 54.13 55.27 2fvh s LEU 92 Cb -0.07 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 2fvh s LEU 92 CO 0.00 -0.44 -0.05 -0.69 -1.32 0.00 0.00 176.35 173.86 2fvh s VAL 93 N 2.06 3.83 -0.23 1.68 1.01 0.49 -4.96 120.40 124.28 2fvh s VAL 93 Ca 0.46 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2fvh s VAL 93 Cb -0.18 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.55 2fvh s VAL 93 CO 0.16 0.50 -0.06 -0.89 0.00 0.00 0.00 175.10 174.81 2fvh s THR 94 N 0.26 3.04 -0.28 3.92 2.01 -1.26 -1.32 115.64 122.01 2fvh s THR 94 Ca -0.03 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.07 2fvh s THR 94 Cb -0.14 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 2fvh s THR 94 CO 0.03 0.34 0.33 -0.69 -0.69 0.00 0.00 174.62 173.94 2fvh s VAL 95 N 1.40 5.21 -0.00 3.82 1.01 -0.07 -4.74 120.40 127.02 2fvh s VAL 95 Ca 0.03 0.43 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 2fvh s VAL 95 Cb -0.15 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 2fvh s VAL 95 CO -0.05 0.16 0.47 -1.00 0.00 0.00 0.00 175.10 174.68 2fvh s HIS 96 N 1.99 3.71 -1.32 5.22 3.76 -1.26 -1.17 115.29 126.21 2fvh s HIS 96 Ca 0.13 1.06 -0.15 0.00 -0.15 0.00 0.00 55.06 55.94 2fvh s HIS 96 Cb -0.16 -2.41 0.01 0.00 1.11 0.00 0.00 32.58 31.13 2fvh s HIS 96 CO 0.10 0.52 0.48 0.94 -0.85 0.00 0.00 174.74 175.94 2fvh n GLN 97 N 2.20 -1.35 0.31 1.40 7.27 0.81 -4.81 117.38 123.21 2fvh n GLN 97 Ca -0.11 0.24 0.19 0.00 0.07 0.00 0.00 57.00 57.39 2fvh n GLN 97 Cb 0.52 -3.59 1.03 0.00 2.41 0.00 0.00 30.24 30.60 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 -2.10 0.00 0.00 3.69 0.13 -1.78 -3.32 132.00 128.62 2fvh h PRO 98 Ca -0.67 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.44 2fvh h PRO 98 Cb 1.39 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 2fvh h PRO 98 CO 0.58 0.02 -0.87 -0.89 -0.23 0.00 0.00 178.00 176.61 2fvh n ILE 99 N -3.30 1.44 0.71 -3.56 5.41 -1.26 -4.39 119.36 114.42 2fvh n ILE 99 Ca -0.02 0.17 0.06 0.00 1.00 0.00 0.00 62.75 63.96 2fvh n ILE 99 Cb 0.13 -2.20 0.34 0.00 -0.71 0.00 0.00 39.64 37.20 2fvh n ILE 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55