#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fva s LYS 2 N 0.00 4.27 0.27 0.00 -0.14 -1.26 -4.93 119.74 117.96 2fva s LYS 2 Ca 0.00 1.20 -0.04 0.00 -1.36 0.00 0.00 55.97 55.77 2fva s LYS 2 Cb 0.00 -2.33 0.35 0.00 -1.68 0.00 0.00 37.83 34.17 2fva s LYS 2 CO 0.00 0.01 1.91 0.87 -0.76 0.00 0.00 175.35 177.38 2fva h LYS 3 N 2.19 1.14 -0.44 1.68 1.57 -2.02 -0.41 116.57 120.28 2fva h LYS 3 Ca -0.49 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.22 2fva h LYS 3 Cb 1.19 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 2fva h LYS 3 CO 0.62 0.81 0.23 1.05 -0.57 0.00 0.00 179.45 181.59 2fva h GLU 4 N 1.16 0.45 -0.33 3.15 4.11 -1.99 0.17 114.58 121.30 2fva h GLU 4 Ca 0.30 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.58 2fva h GLU 4 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2fva h GLU 4 CO -0.06 0.30 -0.28 1.15 0.07 0.00 0.00 179.01 180.20 2fva h THR 5 N 0.47 1.29 -0.63 -1.06 2.02 -1.85 -2.62 112.91 110.53 2fva h THR 5 Ca 0.19 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 2fva h THR 5 Cb 0.07 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.93 2fva h THR 5 CO -0.12 0.47 0.36 0.40 0.37 0.00 0.00 175.52 177.00 2fva h ILE 6 N 0.54 1.19 -0.51 3.11 2.04 -0.74 -0.63 117.51 122.51 2fva h ILE 6 Ca 0.06 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2fva h ILE 6 Cb 0.84 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2fva h ILE 6 CO 0.07 0.20 0.14 0.44 0.00 0.00 0.00 178.15 179.00 2fva h ASP 7 N 0.85 0.70 -0.20 1.72 3.32 -0.64 -1.52 116.42 120.66 2fva h ASP 7 Ca 0.22 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2fva h ASP 7 Cb 0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2fva h ASP 7 CO -0.04 0.68 -0.05 0.11 -1.72 0.00 0.00 179.24 178.22 2fva h LYS 8 N 0.74 0.39 -0.27 3.56 1.79 -1.01 -0.91 116.57 120.87 2fva h LYS 8 Ca 0.17 -0.15 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2fva h LYS 8 Cb 0.25 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2fva h LYS 8 CO -0.01 0.65 0.17 0.28 -1.08 0.00 0.00 179.45 179.46 2fva h VAL 9 N 0.11 1.05 -0.37 0.50 2.07 -0.82 -2.16 116.25 116.64 2fva h VAL 9 Ca 0.05 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2fva h VAL 9 Cb 0.50 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2fva h VAL 9 CO 0.02 0.06 0.21 0.28 0.02 0.00 0.00 177.57 178.17 2fva h SER 10 N 0.35 0.46 -0.58 0.57 0.02 -1.26 -2.78 113.55 110.33 2fva h SER 10 Ca 0.10 -0.08 0.12 0.00 -0.84 0.00 0.00 61.79 61.09 2fva h SER 10 Cb -0.03 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.29 2fva h SER 10 CO -0.03 0.41 -0.05 0.44 -1.14 0.00 0.00 176.83 176.46 2fva h ASP 11 N 0.48 -0.35 -0.21 3.07 3.32 -0.76 0.35 116.42 122.33 2fva h ASP 11 Ca 0.13 0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.39 2fva h ASP 11 Cb 0.04 0.29 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 2fva h ASP 11 CO -0.02 -0.13 -0.24 0.40 -1.72 0.00 0.00 179.24 177.52 2fva h ILE 12 N 0.07 0.40 -0.61 0.35 5.03 -1.12 0.94 117.51 122.58 2fva h ILE 12 Ca 0.29 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 65.01 2fva h ILE 12 Cb 0.46 0.40 -0.03 0.00 -3.03 0.00 0.00 36.82 34.62 2fva h ILE 12 CO -0.53 0.00 0.29 0.58 -0.68 0.00 0.00 178.15 177.82 2fva h VAL 13 N -0.27 1.21 -0.43 1.67 2.07 -1.10 -2.27 116.25 117.14 2fva h VAL 13 Ca 0.13 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2fva h VAL 13 Cb 0.46 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2fva h VAL 13 CO -0.36 0.25 -0.00 0.11 0.02 0.00 0.00 177.57 177.58 2fva h LYS 14 N 0.84 0.70 0.00 1.57 1.57 0.72 -2.35 116.57 119.62 2fva h LYS 14 Ca 0.21 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2fva h LYS 14 Cb 0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2fva h LYS 14 CO -0.03 0.72 -0.19 0.93 -0.57 0.00 0.00 179.45 180.31 2fva h GLU 15 N 0.66 0.00 -0.23 3.15 5.08 0.14 2.37 114.58 125.76 2fva h GLU 15 Ca 0.13 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2fva h GLU 15 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2fva h GLU 15 CO 0.02 0.19 0.12 0.87 -1.00 0.00 0.00 179.01 179.21 2fva h LYS 16 N 0.00 0.32 -0.01 2.33 6.56 -0.95 -2.53 116.57 122.30 2fva h LYS 16 Ca -0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2fva h LYS 16 Cb 0.34 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 2fva h LYS 16 CO 0.02 0.30 -0.39 1.28 -2.06 0.00 0.00 179.45 178.60 2fva n LEU 17 N -4.87 1.03 -0.77 2.94 7.99 -0.97 -4.94 117.00 117.42 2fva n LEU 17 Ca -0.03 -0.28 -0.02 0.00 -0.01 0.00 0.00 56.01 55.66 2fva n LEU 17 Cb 0.08 -0.13 0.01 0.00 -0.11 0.00 0.00 43.42 43.27 2fva n LEU 17 CO 0.35 0.20 0.02 0.00 -1.51 0.00 0.00 177.39 176.45 2fva n ALA 18 N -0.82 -0.13 -2.48 -1.18 0.00 0.34 -5.06 120.51 111.17 2fva n ALA 18 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 53.44 53.56 2fva n ALA 18 Cb 0.36 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.82 2fva n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2fva n LEU 19 N -0.91 0.00 0.00 0.00 4.32 0.72 -4.63 117.00 116.49 2fva n LEU 19 Ca -0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.84 2fva n LEU 19 Cb 0.51 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 2fva n LEU 19 CO 0.06 -0.53 0.00 0.61 -1.22 0.00 0.00 177.39 176.32 2fva n GLY 20 N 4.50 1.14 0.00 -0.72 0.00 -1.26 -4.51 105.19 104.35 2fva n GLY 20 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2fva n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fva n ALA 21 N -0.74 0.00 0.40 4.61 0.00 -1.26 -4.64 120.51 118.88 2fva n ALA 21 Ca 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.49 2fva n ALA 21 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 2fva n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2fva n ASP 22 N -1.50 2.88 -4.32 0.00 8.00 -1.26 -4.87 116.55 115.49 2fva n ASP 22 Ca 0.00 -1.95 -0.32 0.00 0.71 0.00 0.00 54.79 53.23 2fva n ASP 22 Cb 0.00 -0.30 -0.16 0.00 -0.02 0.00 0.00 41.12 40.64 2fva n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fva s VAL 23 N -1.39 2.44 0.12 2.53 1.01 -1.26 -5.10 120.40 118.75 2fva s VAL 23 Ca 0.37 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 2fva s VAL 23 Cb 0.20 -1.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 2fva s VAL 23 CO 0.27 0.56 1.30 -0.69 0.00 0.00 0.00 175.10 176.54 2fva s VAL 24 N -0.06 3.55 -0.08 2.92 1.01 -1.26 -4.04 120.40 122.44 2fva s VAL 24 Ca -0.05 1.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.89 2fva s VAL 24 Cb -0.14 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 2fva s VAL 24 CO 0.04 0.11 0.51 -0.69 0.00 0.00 0.00 175.10 175.07 2fva s VAL 25 N 0.83 5.10 0.10 2.92 1.01 -1.26 -4.98 120.40 124.13 2fva s VAL 25 Ca 0.60 1.03 0.02 0.00 0.00 0.00 0.00 61.98 63.64 2fva s VAL 25 Cb -0.34 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 2fva s VAL 25 CO 0.32 0.37 -0.08 0.42 0.00 0.00 0.00 175.10 176.13 2fva s THR 26 N 0.26 0.80 -0.45 3.92 -4.23 -1.26 -5.04 115.64 109.64 2fva s THR 26 Ca 0.27 -1.90 0.23 0.00 -1.18 0.00 0.00 61.69 59.12 2fva s THR 26 Cb -0.16 -1.64 -0.07 0.00 1.34 0.00 0.00 72.50 71.97 2fva s THR 26 CO 0.12 -0.80 1.03 0.00 -0.54 0.00 0.00 174.62 174.43 2fva n ALA 27 N 0.05 3.00 1.47 3.99 0.00 -1.26 -3.81 120.51 123.94 2fva n ALA 27 Ca -0.13 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.12 2fva n ALA 27 Cb 0.60 -1.02 0.55 0.00 0.00 0.00 0.00 19.45 19.57 2fva n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2fva n ASP 28 N -2.23 1.02 -4.56 0.00 8.00 -1.26 -2.10 116.55 115.42 2fva n ASP 28 Ca 0.01 -1.11 -0.30 0.00 0.71 0.00 0.00 54.79 54.10 2fva n ASP 28 Cb 0.48 0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 2fva n ASP 28 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2fva s SER 29 N -2.22 5.22 -0.73 -2.24 0.15 -1.25 -4.86 113.70 107.76 2fva s SER 29 Ca 0.34 -0.44 -0.32 0.00 0.70 0.00 0.00 55.95 56.23 2fva s SER 29 Cb 0.20 -2.55 -0.17 0.00 -1.71 0.00 0.00 66.02 61.80 2fva s SER 29 CO 0.41 -2.62 2.50 -0.62 1.20 0.00 0.00 173.24 174.12 2fva n GLU 30 N 8.94 0.41 -0.00 5.44 1.02 -1.26 -4.17 120.64 131.02 2fva n GLU 30 Ca 0.35 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.65 2fva n GLU 30 Cb 0.48 -2.11 0.21 0.00 -0.02 0.00 0.00 31.44 30.00 2fva n GLU 30 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2fva n PHE 31 N 11.43 0.01 -3.31 -0.32 -1.74 -1.26 -4.80 117.46 117.47 2fva n PHE 31 Ca 0.54 -0.00 -0.46 0.00 -0.56 0.00 0.00 57.45 56.97 2fva n PHE 31 Cb 0.18 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.12 2fva n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2fva s SER 32 N -1.99 6.18 0.12 5.98 1.04 -1.26 -5.01 113.70 118.77 2fva s SER 32 Ca 0.31 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 55.04 2fva s SER 32 Cb 0.20 -2.21 -0.00 0.00 0.10 0.00 0.00 66.02 64.11 2fva s SER 32 CO 0.31 -0.85 0.16 0.29 0.98 0.00 0.00 173.24 174.13 2fva n LYS 33 N 5.32 0.23 -3.58 4.02 5.02 -1.26 -4.94 118.16 122.97 2fva n LYS 33 Ca -0.13 -1.05 -0.40 0.00 -2.02 0.00 0.00 58.31 54.71 2fva n LYS 33 Cb 0.41 0.97 -0.11 0.00 -0.02 0.00 0.00 35.03 36.28 2fva n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2fva s LEU 34 N 0.00 4.35 0.00 -0.35 0.20 -1.26 -4.95 118.68 116.67 2fva s LEU 34 Ca 0.11 -0.43 0.00 0.00 0.69 0.00 0.00 54.13 54.50 2fva s LEU 34 Cb -0.00 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.67 2fva s LEU 34 CO 0.08 -0.21 0.00 0.61 -0.29 0.00 0.00 176.35 176.54 2fva n GLY 35 N 5.06 0.26 0.16 7.98 0.00 -1.26 -4.83 105.19 112.56 2fva n GLY 35 Ca -0.13 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 2fva n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fva h ALA 36 N -2.00 0.42 0.00 4.61 0.00 -2.00 -3.36 119.26 116.94 2fva h ALA 36 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2fva h ALA 36 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 2fva h ALA 36 CO 0.00 -0.03 -0.59 -0.25 0.00 0.00 0.00 179.25 178.38 2fva n ASP 37 N -4.77 0.21 -0.31 0.00 8.00 -1.26 -4.97 116.55 113.45 2fva n ASP 37 Ca -0.01 -1.94 -0.04 0.00 0.71 0.00 0.00 54.79 53.51 2fva n ASP 37 Cb 0.09 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 2fva n ASP 37 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2fva n SER 38 N 0.12 -4.99 -0.22 -2.24 2.88 -1.26 -4.81 113.62 103.09 2fva n SER 38 Ca 0.01 0.10 0.14 0.00 -1.33 0.00 0.00 58.87 57.78 2fva n SER 38 Cb 0.79 -2.85 0.50 0.00 -0.75 0.00 0.00 64.21 61.90 2fva n SER 38 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fva n LEU 39 N -0.46 0.85 -0.11 2.46 4.77 -1.26 -3.85 117.00 119.40 2fva n LEU 39 Ca -0.04 -0.19 -0.02 0.00 -0.03 0.00 0.00 56.01 55.73 2fva n LEU 39 Cb 0.38 -0.12 0.21 0.00 -2.33 0.00 0.00 43.42 41.56 2fva n LEU 39 CO 0.06 0.16 0.99 -0.78 -1.33 0.00 0.00 177.39 176.48 2fva h ASP 40 N 1.09 0.73 -1.07 -1.43 3.58 -1.96 -2.17 116.42 115.18 2fva h ASP 40 Ca 0.00 -0.12 0.30 0.00 0.42 0.00 0.00 57.03 57.63 2fva h ASP 40 Cb 0.44 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 2fva h ASP 40 CO 0.00 0.72 0.75 0.74 -2.88 0.00 0.00 179.24 178.57 2fva h THR 41 N 0.76 0.48 -0.53 2.25 2.02 -1.94 0.38 112.91 116.33 2fva h THR 41 Ca 0.17 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 2fva h THR 41 Cb 0.27 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2fva h THR 41 CO -0.00 0.02 0.14 0.58 0.37 0.00 0.00 175.52 176.63 2fva h VAL 42 N 0.10 1.24 -0.04 3.16 2.07 -1.67 0.10 116.25 121.22 2fva h VAL 42 Ca 0.53 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 2fva h VAL 42 Cb 1.92 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 32.47 2fva h VAL 42 CO -0.08 0.31 -0.41 -0.33 0.02 0.00 0.00 177.57 177.08 2fva h GLU 43 N 0.74 0.35 -0.21 1.57 5.08 -0.45 -3.05 114.58 118.62 2fva h GLU 43 Ca 0.17 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 2fva h GLU 43 Cb 0.31 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2fva h GLU 43 CO -0.00 0.99 0.08 0.82 -1.00 0.00 0.00 179.01 179.89 2fva h ILE 44 N -0.17 1.17 -0.69 3.13 1.08 -1.00 -1.80 117.51 119.24 2fva h ILE 44 Ca -0.04 -0.54 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 2fva h ILE 44 Cb 1.10 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.95 2fva h ILE 44 CO 0.08 0.17 0.43 1.62 -0.69 0.00 0.00 178.15 179.76 2fva h VAL 45 N 0.17 1.09 -0.73 1.67 3.04 -0.91 -1.22 116.25 119.36 2fva h VAL 45 Ca 0.07 -0.29 -0.05 0.00 -1.01 0.00 0.00 66.70 65.42 2fva h VAL 45 Cb 0.20 0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 29.63 2fva h VAL 45 CO -0.00 0.15 0.25 0.24 -1.01 0.00 0.00 177.57 177.20 2fva h MET 46 N 0.84 1.12 -0.42 4.17 2.86 -1.41 0.48 114.93 122.57 2fva h MET 46 Ca 0.27 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2fva h MET 46 Cb 0.01 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 2fva h MET 46 CO -0.11 0.94 0.23 -0.91 1.06 0.00 0.00 176.91 178.12 2fva h ASN 47 N 1.08 0.53 -0.30 1.22 4.21 -0.56 1.70 115.58 123.46 2fva h ASN 47 Ca 0.24 -0.09 -0.11 0.00 1.21 0.00 0.00 56.30 57.55 2fva h ASN 47 Cb 0.27 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 2fva h ASN 47 CO -0.01 0.47 -0.24 -0.07 -1.29 0.00 0.00 177.43 176.28 2fva h LEU 48 N 0.55 0.74 -0.37 1.61 3.38 -0.90 0.21 115.31 120.52 2fva h LEU 48 Ca 0.15 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2fva h LEU 48 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2fva h LEU 48 CO -0.02 1.03 -0.14 -0.08 0.09 0.00 0.00 178.44 179.32 2fva h GLU 49 N 0.45 0.75 -0.41 1.13 4.81 0.20 -1.40 114.58 120.10 2fva h GLU 49 Ca 0.06 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 58.88 2fva h GLU 49 Cb 0.80 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2fva h GLU 49 CO 0.06 0.92 -0.12 1.49 -0.73 0.00 0.00 179.01 180.63 2fva h GLU 50 N 0.54 0.81 0.14 1.92 4.81 0.26 1.97 114.58 125.03 2fva h GLU 50 Ca 0.09 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2fva h GLU 50 Cb 0.67 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2fva h GLU 50 CO 0.05 0.94 -0.07 1.49 -0.73 0.00 0.00 179.01 180.69 2fva h GLU 51 N 0.63 -0.19 -0.00 1.92 4.57 -0.51 -2.73 114.58 118.26 2fva h GLU 51 Ca 0.10 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2fva h GLU 51 Cb 0.65 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2fva h GLU 51 CO 0.04 -0.04 -0.23 1.19 -1.18 0.00 0.00 179.01 178.80 2fva n PHE 52 N -5.13 0.00 -2.56 0.92 3.72 -0.54 -4.92 117.46 108.96 2fva n PHE 52 Ca -0.09 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.14 2fva n PHE 52 Cb 0.14 -0.20 -0.00 0.00 -0.94 0.00 0.00 39.48 38.47 2fva n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2fva n GLY 53 N 1.36 -0.50 0.00 1.37 0.00 0.65 -4.76 105.19 103.32 2fva n GLY 53 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2fva n GLY 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2fva n ILE 54 N -3.79 0.00 -3.66 -0.61 -5.35 -0.35 -3.95 119.36 101.65 2fva n ILE 54 Ca -0.17 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.02 2fva n ILE 54 Cb 0.64 -0.97 -0.16 0.00 -1.74 0.00 0.00 39.64 37.41 2fva n ILE 54 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2fva s ASN 55 N -1.00 3.46 -0.28 7.28 6.03 -1.26 -4.83 114.94 124.33 2fva s ASN 55 Ca 0.00 -1.24 -0.11 0.00 -1.03 0.00 0.00 52.86 50.48 2fva s ASN 55 Cb 0.00 -0.57 -0.04 0.00 -3.03 0.00 0.00 41.25 37.61 2fva s ASN 55 CO 0.00 -0.39 0.18 -0.69 -2.03 0.00 0.00 177.10 174.16 2fva s VAL 56 N 1.89 5.13 0.27 3.54 1.01 -1.26 -5.00 120.40 125.96 2fva s VAL 56 Ca 0.06 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 2fva s VAL 56 Cb -0.17 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2fva s VAL 56 CO -0.24 0.23 0.81 -1.81 0.00 0.00 0.00 175.10 174.09 2fva s ASP 57 N 1.73 7.16 0.65 3.32 1.01 -1.26 -4.91 116.67 124.36 2fva s ASP 57 Ca 0.07 1.58 0.30 0.00 0.71 0.00 0.00 52.55 55.21 2fva s ASP 57 Cb -0.16 -2.48 1.65 0.00 1.01 0.00 0.00 42.92 42.93 2fva s ASP 57 CO 0.10 -0.02 1.95 -0.08 0.21 0.00 0.00 175.17 177.33 2fva h GLU 58 N 3.27 0.00 0.00 8.23 4.81 -1.98 0.93 114.58 129.85 2fva h GLU 58 Ca -0.47 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 2fva h GLU 58 Cb 1.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2fva h GLU 58 CO 0.65 0.00 -0.25 -0.44 -0.73 0.00 0.00 179.01 178.24 2fva h ASP 59 N 0.00 0.00 0.49 1.04 3.32 -2.01 -3.15 116.42 116.11 2fva h ASP 59 Ca 0.04 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2fva h ASP 59 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2fva h ASP 59 CO -0.00 0.25 -1.58 0.29 -1.72 0.00 0.00 179.24 176.47 2fva n LYS 60 N -3.20 0.64 -1.82 3.56 4.76 0.31 -4.25 118.16 118.16 2fva n LYS 60 Ca 0.02 0.03 -0.31 0.00 -2.87 0.00 0.00 58.31 55.18 2fva n LYS 60 Cb 0.59 -1.69 0.04 0.00 -1.84 0.00 0.00 35.03 32.13 2fva n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2fva n ALA 61 N -2.33 5.80 -0.02 7.82 0.00 -0.45 -4.46 120.51 126.88 2fva n ALA 61 Ca -0.08 -3.82 -0.02 0.00 0.00 0.00 0.00 53.44 49.52 2fva n ALA 61 Cb 0.70 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 2fva n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fva n GLN 62 N -0.72 2.27 -3.04 0.00 10.64 -1.20 -4.86 117.38 120.49 2fva n GLN 62 Ca 0.52 0.01 -0.15 0.00 -1.83 0.00 0.00 57.00 55.54 2fva n GLN 62 Cb 0.67 -1.07 -0.00 0.00 -0.86 0.00 0.00 30.24 28.97 2fva n GLN 62 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2fva n ASP 63 N -2.29 0.51 -4.71 2.61 -0.08 -1.26 -5.10 116.55 106.23 2fva n ASP 63 Ca -0.05 -3.02 -0.39 0.00 -1.51 0.00 0.00 54.79 49.82 2fva n ASP 63 Cb 0.58 -0.28 -0.05 0.00 2.34 0.00 0.00 41.12 43.71 2fva n ASP 63 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2fva s ILE 64 N -2.18 5.10 0.06 5.18 -1.09 -1.26 -5.06 121.20 121.94 2fva s ILE 64 Ca 0.35 1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 59.99 2fva s ILE 64 Cb 0.36 -3.94 0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2fva s ILE 64 CO -0.06 0.26 0.04 -1.20 -1.23 0.00 0.00 174.94 172.75 2fva n SER 65 N 3.93 -1.69 -3.03 3.58 7.64 -1.26 -4.57 113.62 118.22 2fva n SER 65 Ca -0.03 -0.23 -0.01 0.00 1.01 0.00 0.00 58.87 59.61 2fva n SER 65 Cb 0.51 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2fva n SER 65 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2fva n THR 66 N -2.92 0.00 -0.25 0.44 5.66 -1.26 -4.32 114.28 111.63 2fva n THR 66 Ca 0.01 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 2fva n THR 66 Cb 0.03 -0.03 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 2fva n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2fva h ILE 67 N -1.54 1.15 -0.82 1.09 2.04 -1.71 -2.39 117.51 115.33 2fva h ILE 67 Ca -0.01 -0.31 0.20 0.00 1.00 0.00 0.00 64.86 65.74 2fva h ILE 67 Cb 0.04 0.16 -0.14 0.00 -0.74 0.00 0.00 36.82 36.13 2fva h ILE 67 CO 0.01 0.17 0.04 1.56 0.00 0.00 0.00 178.15 179.92 2fva h GLN 68 N 0.91 0.10 -0.27 2.37 1.08 -1.74 0.48 115.11 118.04 2fva h GLN 68 Ca 0.26 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.30 2fva h GLN 68 Cb -0.06 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 2fva h GLN 68 CO -0.08 0.07 -0.46 0.37 -0.95 0.00 0.00 178.83 177.78 2fva h GLN 69 N 0.10 0.78 -0.85 1.46 5.75 -1.72 -2.86 115.11 117.77 2fva h GLN 69 Ca 0.47 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2fva h GLN 69 Cb 0.87 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 2fva h GLN 69 CO -0.72 1.11 0.54 0.00 -2.65 0.00 0.00 178.83 177.11 2fva h ALA 70 N 0.66 1.08 -0.77 3.38 0.00 -0.24 -0.54 119.26 122.84 2fva h ALA 70 Ca 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2fva h ALA 70 Cb 1.06 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2fva h ALA 70 CO 0.10 0.52 0.38 0.00 0.00 0.00 0.00 179.25 180.25 2fva h ALA 71 N 1.29 0.99 -0.58 0.00 0.00 -0.18 -1.81 119.26 118.97 2fva h ALA 71 Ca 0.31 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2fva h ALA 71 Cb -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2fva h ALA 71 CO -0.06 0.55 0.03 0.22 0.00 0.00 0.00 179.25 179.99 2fva h ASP 72 N 1.08 0.98 -0.50 0.00 1.82 -1.16 -2.20 116.42 116.45 2fva h ASP 72 Ca 0.26 -0.29 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2fva h ASP 72 Cb 0.11 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.83 2fva h ASP 72 CO -0.03 1.03 0.31 0.58 -1.61 0.00 0.00 179.24 179.51 2fva h VAL 73 N 0.90 1.15 -0.64 2.25 2.07 -0.73 -2.53 116.25 118.73 2fva h VAL 73 Ca 0.17 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2fva h VAL 73 Cb 0.51 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2fva h VAL 73 CO 0.02 0.15 0.33 0.40 0.02 0.00 0.00 177.57 178.49 2fva h ILE 74 N 0.67 1.21 -0.61 4.57 2.04 -1.20 -1.88 117.51 122.31 2fva h ILE 74 Ca 0.18 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2fva h ILE 74 Cb -0.02 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.40 2fva h ILE 74 CO -0.03 0.24 0.20 -0.33 0.00 0.00 0.00 178.15 178.23 2fva h GLU 75 N 0.87 0.35 -0.22 2.37 5.08 -1.00 0.14 114.58 122.17 2fva h GLU 75 Ca 0.22 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2fva h GLU 75 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2fva h GLU 75 CO -0.03 0.23 -0.15 0.78 -1.00 0.00 0.00 179.01 178.84 2fva h GLY 76 N 0.37 0.41 1.84 -3.84 0.00 -1.06 -1.62 103.07 99.16 2fva h GLY 76 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2fva h GLY 76 CO -0.33 0.26 0.00 1.04 0.00 0.00 0.00 176.54 177.50 2fva n LEU 77 N -4.21 0.00 -0.01 3.11 4.77 0.13 -2.66 117.00 118.13 2fva n LEU 77 Ca -0.00 0.42 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 2fva n LEU 77 Cb 0.32 -0.42 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 2fva n LEU 77 CO 0.40 -0.03 0.20 0.18 -1.33 0.00 0.00 177.39 176.81 2fva n LEU 78 N -1.42 0.77 0.22 2.23 4.77 0.24 -2.85 117.00 120.97 2fva n LEU 78 Ca 0.09 -0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.69 2fva n LEU 78 Cb 0.29 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2fva n LEU 78 CO 0.24 0.19 0.35 -0.33 -1.33 0.00 0.00 177.39 176.51 2fva h GLU 79 N 0.03 -0.59 0.00 3.23 5.08 -1.32 -3.40 114.58 117.62 2fva h GLU 79 Ca 0.00 0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.16 2fva h GLU 79 Cb 0.50 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2fva h GLU 79 CO 0.00 -0.31 -1.95 0.36 -1.00 0.00 0.00 179.01 176.11 2fva n LYS 80 N -5.19 1.60 -4.07 2.33 -0.00 -1.26 -4.99 118.16 106.57 2fva n LYS 80 Ca -0.09 -0.02 -0.31 0.00 -0.00 0.00 0.00 58.31 57.89 2fva n LYS 80 Cb 0.28 -1.36 -0.07 0.00 -0.00 0.00 0.00 35.03 33.88 2fva n LYS 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2fva s LYS 81 N -2.39 2.92 0.00 -1.58 -0.14 -1.13 -5.15 119.74 112.26 2fva s LYS 81 Ca -0.07 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 53.90 2fva s LYS 81 Cb 0.05 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.44 2fva s LYS 81 CO 0.58 0.59 0.00 0.00 -0.76 0.00 0.00 175.35 175.76