#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fgv s GLU 14 N 0.00 1.53 -0.02 5.56 2.12 -0.91 -1.65 118.70 125.33 3fgv s GLU 14 Ca 0.00 -1.38 0.05 0.00 0.36 0.00 0.00 54.97 54.00 3fgv s GLU 14 Cb 0.00 -1.93 -0.01 0.00 0.26 0.00 0.00 34.13 32.45 3fgv s GLU 14 CO 0.00 0.44 -0.17 0.08 -0.54 0.00 0.00 175.26 175.07 3fgv s VAL 15 N -1.32 1.36 -0.08 3.70 1.01 -0.22 -0.46 120.40 124.39 3fgv s VAL 15 Ca 0.17 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3fgv s VAL 15 Cb -0.09 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 3fgv s VAL 15 CO 0.08 0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.77 3fgv s VAL 16 N -0.23 3.31 -0.14 2.92 1.01 -0.32 -0.54 120.40 126.40 3fgv s VAL 16 Ca 0.03 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3fgv s VAL 16 Cb -0.08 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.96 3fgv s VAL 16 CO 0.00 0.57 -0.21 -0.63 0.00 0.00 0.00 175.10 174.83 3fgv s ILE 17 N -0.43 1.99 -0.14 2.22 1.01 -0.41 -1.52 121.20 123.93 3fgv s ILE 17 Ca 0.05 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3fgv s ILE 17 Cb -0.12 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.59 3fgv s ILE 17 CO 0.02 0.54 -0.17 -0.69 0.00 0.00 0.00 174.94 174.64 3fgv s VAL 18 N 0.88 1.71 -0.20 2.92 1.01 0.29 -1.45 120.40 125.56 3fgv s VAL 18 Ca -0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 3fgv s VAL 18 Cb -0.15 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3fgv s VAL 18 CO -0.03 0.48 0.05 -0.54 0.00 0.00 0.00 175.10 175.07 3fgv s LYS 19 N 1.18 3.82 -0.01 2.72 1.02 0.02 -0.79 119.74 127.70 3fgv s LYS 19 Ca -0.01 -0.41 0.06 0.00 0.02 0.00 0.00 55.97 55.62 3fgv s LYS 19 Cb -0.14 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 3fgv s LYS 19 CO -0.07 0.10 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.17 3fgv s SER 20 N 0.83 3.76 -0.38 2.83 0.01 0.62 -1.41 113.70 119.95 3fgv s SER 20 Ca 0.03 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.00 3fgv s SER 20 Cb -0.14 -0.67 0.11 0.00 0.21 0.00 0.00 66.02 65.53 3fgv s SER 20 CO 0.02 0.31 0.10 -0.89 0.41 0.00 0.00 173.24 173.19 3fgv s THR 21 N -0.77 2.26 0.62 1.44 2.01 -1.26 -1.51 115.64 118.43 3fgv s THR 21 Ca 0.12 -2.50 -0.18 0.00 0.31 0.00 0.00 61.69 59.44 3fgv s THR 21 Cb -0.10 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 3fgv s THR 21 CO 0.02 -0.65 1.20 -2.84 -0.69 0.00 0.00 174.62 171.66 3fgv s PRO 22 N 0.69 2.85 0.68 4.92 0.02 -1.26 -0.76 135.00 142.14 3fgv s PRO 22 Ca 0.12 1.80 -0.17 0.00 0.02 0.00 0.00 61.00 62.77 3fgv s PRO 22 Cb -0.20 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 3fgv s PRO 22 CO -0.07 -1.30 1.05 1.04 -0.33 0.00 0.00 177.00 177.39 3fgv n GLN 23 N -1.79 0.72 -2.19 5.54 6.02 0.98 -4.42 117.38 122.25 3fgv n GLN 23 Ca 0.13 0.30 -0.41 0.00 -0.01 0.00 0.00 57.00 57.02 3fgv n GLN 23 Cb 0.50 -2.29 -0.02 0.00 1.02 0.00 0.00 30.24 29.45 3fgv n GLN 23 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fgv s ARG 24 N -3.23 4.40 0.00 -1.09 1.81 -1.26 -1.48 118.95 118.10 3fgv s ARG 24 Ca 0.76 2.13 0.00 0.00 -1.72 0.00 0.00 55.73 56.90 3fgv s ARG 24 Cb -0.37 -3.08 0.00 0.00 -0.45 0.00 0.00 34.95 31.05 3fgv s ARG 24 CO 0.47 -0.12 0.00 0.41 -0.68 0.00 0.00 175.30 175.38 3fgv n GLY 25 N 0.87 1.44 0.34 -3.53 0.00 -1.26 -4.90 105.19 98.14 3fgv n GLY 25 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3fgv n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fgv n LYS 26 N -2.00 2.33 0.18 1.61 5.02 -0.55 -4.78 118.16 119.97 3fgv n LYS 26 Ca 0.00 -2.31 -0.15 0.00 -2.02 0.00 0.00 58.31 53.83 3fgv n LYS 26 Cb 0.00 -1.43 -0.08 0.00 -0.02 0.00 0.00 35.03 33.50 3fgv n LYS 26 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3fgv h PHE 27 N 0.75 -0.37 -0.38 2.13 3.04 -1.91 -0.22 116.94 119.99 3fgv h PHE 27 Ca 0.00 -0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 3fgv h PHE 27 Cb 0.95 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 3fgv h PHE 27 CO 0.16 -0.22 -0.28 -0.91 -2.02 0.00 0.00 178.31 175.04 3fgv h ASN 28 N -0.41 0.82 -0.69 0.41 2.35 -1.97 -0.94 115.58 115.16 3fgv h ASN 28 Ca -0.04 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.38 3fgv h ASN 28 Cb 0.31 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 3fgv h ASN 28 CO 0.07 1.04 0.37 0.00 -1.65 0.00 0.00 177.43 177.26 3fgv h ALA 29 N 1.01 0.88 -0.45 -0.83 0.00 -1.87 -2.08 119.26 115.93 3fgv h ALA 29 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fgv h ALA 29 Cb 0.81 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3fgv h ALA 29 CO 0.07 0.40 0.25 0.35 0.00 0.00 0.00 179.25 180.31 3fgv h PHE 30 N 0.94 0.61 -0.96 0.00 3.57 -0.80 -1.94 116.94 118.37 3fgv h PHE 30 Ca 0.24 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.78 3fgv h PHE 30 Cb 0.05 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 3fgv h PHE 30 CO -0.00 0.46 0.62 0.00 -2.23 0.00 0.00 178.31 177.16 3fgv h ALA 31 N 1.09 1.31 -0.31 2.41 0.00 -0.82 0.15 119.26 123.10 3fgv h ALA 31 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3fgv h ALA 31 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3fgv h ALA 31 CO -0.03 0.42 0.03 0.93 0.00 0.00 0.00 179.25 180.61 3fgv h GLU 32 N 1.14 0.52 0.01 0.00 5.08 -1.12 -1.11 114.58 119.09 3fgv h GLU 32 Ca 0.41 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3fgv h GLU 32 Cb 0.13 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3fgv h GLU 32 CO -0.16 0.64 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.41 3fgv h LEU 33 N 0.33 -0.01 -1.10 1.33 3.38 -0.84 -3.10 115.31 115.30 3fgv h LEU 33 Ca 0.09 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3fgv h LEU 33 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3fgv h LEU 33 CO 0.01 0.17 -0.38 1.62 0.09 0.00 0.00 178.44 179.95 3fgv h VAL 34 N -0.18 1.00 -0.99 1.22 3.04 -0.74 -2.65 116.25 116.94 3fgv h VAL 34 Ca -0.00 -1.43 0.02 0.00 -1.01 0.00 0.00 66.70 64.28 3fgv h VAL 34 Cb 0.18 1.83 -0.05 0.00 -2.01 0.00 0.00 31.29 31.24 3fgv h VAL 34 CO 0.00 0.37 0.66 1.23 -1.01 0.00 0.00 177.57 178.82 3fgv h GLY 35 N 1.68 1.42 0.94 3.17 0.00 -1.12 0.12 103.07 109.28 3fgv h GLY 35 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 3fgv h GLY 35 CO 0.05 0.48 0.09 1.70 0.00 0.00 0.00 176.54 178.85 3fgv h LYS 36 N 1.31 0.68 -0.64 4.80 3.64 -1.44 -2.01 116.57 122.91 3fgv h LYS 36 Ca 0.38 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 3fgv h LYS 36 Cb -0.10 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 3fgv h LYS 36 CO -0.10 0.71 0.36 -0.07 -2.27 0.00 0.00 179.45 178.08 3fgv h LEU 37 N 0.54 0.78 -0.78 5.20 3.38 -1.17 -1.28 115.31 121.99 3fgv h LEU 37 Ca 0.13 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3fgv h LEU 37 Cb 0.34 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3fgv h LEU 37 CO 0.00 0.62 0.19 0.58 0.09 0.00 0.00 178.44 179.93 3fgv h VAL 38 N 0.89 1.26 -0.64 1.22 2.07 -0.60 -0.85 116.25 119.60 3fgv h VAL 38 Ca 0.23 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3fgv h VAL 38 Cb 0.01 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3fgv h VAL 38 CO -0.04 0.36 0.27 -1.28 0.02 0.00 0.00 177.57 176.90 3fgv h SER 39 N 1.06 0.87 -0.71 0.57 0.87 -0.78 0.52 113.55 115.94 3fgv h SER 39 Ca 0.22 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3fgv h SER 39 Cb 0.34 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3fgv h SER 39 CO -0.00 0.79 0.37 -0.33 -0.53 0.00 0.00 176.83 177.13 3fgv h GLU 40 N 0.89 1.03 -0.24 2.24 5.08 -0.93 -2.24 114.58 120.41 3fgv h GLU 40 Ca 0.21 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3fgv h GLU 40 Cb 0.19 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3fgv h GLU 40 CO -0.02 0.78 -0.09 1.15 -1.00 0.00 0.00 179.01 179.83 3fgv h THR 41 N 1.03 1.29 -0.68 1.13 2.02 -0.83 -3.03 112.91 113.85 3fgv h THR 41 Ca 0.26 -1.13 0.13 0.00 0.77 0.00 0.00 66.41 66.43 3fgv h THR 41 Cb 0.08 1.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3fgv h THR 41 CO -0.04 0.35 0.45 -0.09 0.37 0.00 0.00 175.52 176.57 3fgv h ARG 42 N 0.22 0.38 -0.01 6.66 2.43 -0.58 -1.01 114.38 122.48 3fgv h ARG 42 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3fgv h ARG 42 Cb 0.57 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 3fgv h ARG 42 CO 0.03 0.25 -0.11 -0.25 -1.51 0.00 0.00 179.97 178.38 3fgv n ASP 43 N -4.47 0.70 -4.74 -3.80 8.00 -0.87 -4.74 116.55 106.63 3fgv n ASP 43 Ca 0.12 -0.81 -0.41 0.00 0.71 0.00 0.00 54.79 54.40 3fgv n ASP 43 Cb 0.46 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.51 3fgv n ASP 43 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3fgv s PHE 44 N -2.37 3.52 0.13 1.24 2.19 -0.38 -4.93 117.98 117.37 3fgv s PHE 44 Ca 0.31 1.52 -0.33 0.00 0.33 0.00 0.00 56.93 58.76 3fgv s PHE 44 Cb 0.20 -3.34 -0.12 0.00 -1.31 0.00 0.00 43.02 38.45 3fgv s PHE 44 CO 0.46 -0.86 1.72 -2.30 1.83 0.00 0.00 175.22 176.07 3fgv n PRO 45 N 2.49 2.47 -0.06 10.12 -0.02 -1.26 -1.42 135.00 147.32 3fgv n PRO 45 Ca 0.04 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3fgv n PRO 45 Cb 0.46 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3fgv n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fgv n GLY 46 N 3.89 0.64 3.65 -1.23 0.00 -1.26 -4.86 105.19 106.02 3fgv n GLY 46 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3fgv n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgv n LEU 48 N 6.74 0.40 0.00 0.00 4.77 0.65 -4.89 117.00 124.68 3fgv n LEU 48 Ca 0.13 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 3fgv n LEU 48 Cb 0.46 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3fgv n LEU 48 CO 0.57 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3fgv n GLY 49 N 1.48 2.01 2.99 -0.72 0.00 -1.23 -4.93 105.19 104.79 3fgv n GLY 49 Ca 0.06 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3fgv n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fgv s ALA 50 N -2.00 -0.27 -0.01 4.61 0.00 -1.26 -1.22 121.76 121.61 3fgv s ALA 50 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3fgv s ALA 50 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3fgv s ALA 50 CO 0.00 -0.06 -0.02 0.71 0.00 0.00 0.00 175.76 176.39 3fgv s TYR 51 N -0.05 0.22 0.44 0.00 1.51 -1.26 -4.99 117.35 113.23 3fgv s TYR 51 Ca -0.01 -0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.09 3fgv s TYR 51 Cb -0.01 -0.18 -0.04 0.00 -0.11 0.00 0.00 41.96 41.62 3fgv s TYR 51 CO 0.00 -0.03 0.19 -1.17 -1.11 0.00 0.00 175.55 173.44 3fgv s LEU 52 N 0.14 2.98 -0.29 -1.29 2.96 -1.26 -4.27 118.68 117.65 3fgv s LEU 52 Ca -0.01 -1.16 -0.21 0.00 -0.22 0.00 0.00 54.13 52.53 3fgv s LEU 52 Cb -0.03 -1.34 0.18 0.00 0.50 0.00 0.00 46.19 45.50 3fgv s LEU 52 CO -0.00 -0.65 1.27 -0.76 -1.32 0.00 0.00 176.35 174.89 3fgv s LEU 54 N -3.95 -0.17 -0.46 -0.68 1.43 -1.26 -5.00 118.68 108.58 3fgv s LEU 54 Ca 0.37 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 3fgv s LEU 54 Cb 0.03 1.30 0.19 0.00 0.03 0.00 0.00 46.19 47.74 3fgv s LEU 54 CO 0.21 -0.05 0.42 0.00 0.23 0.00 0.00 176.35 177.15 3fgv n ALA 55 N 2.37 2.91 -0.33 4.21 0.00 -0.17 -5.01 120.51 124.49 3fgv n ALA 55 Ca -0.14 -3.45 0.10 0.00 0.00 0.00 0.00 53.44 49.96 3fgv n ALA 55 Cb 0.57 -0.81 0.31 0.00 0.00 0.00 0.00 19.45 19.51 3fgv n ALA 55 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3fgv h PRO 56 N 5.18 0.81 0.00 0.00 0.13 -1.97 -1.20 132.00 134.95 3fgv h PRO 56 Ca 0.21 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 3fgv h PRO 56 Cb 0.87 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 3fgv h PRO 56 CO 0.46 0.54 -0.09 1.05 -0.23 0.00 0.00 178.00 179.73 3fgv h GLU 57 N 0.83 0.00 -0.19 0.86 9.09 -1.95 -1.64 114.58 121.59 3fgv h GLU 57 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3fgv h GLU 57 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 3fgv h GLU 57 CO -0.27 0.09 0.00 0.54 0.05 0.00 0.00 179.01 179.41 3fgv n ARG 58 N -3.31 2.37 -3.94 1.06 1.74 -0.51 -4.98 116.66 109.09 3fgv n ARG 58 Ca -0.01 -2.03 -0.27 0.00 -0.77 0.00 0.00 57.85 54.77 3fgv n ARG 58 Cb 0.29 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3fgv n ARG 58 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3fgv n ASN 59 N 1.35 -1.49 -4.07 0.55 5.15 -0.62 -4.98 115.26 111.16 3fgv n ASN 59 Ca 0.17 -0.95 -0.24 0.00 -0.60 0.00 0.00 54.58 52.96 3fgv n ASN 59 Cb 0.59 -3.29 -0.16 0.00 -0.53 0.00 0.00 39.78 36.38 3fgv n ASN 59 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3fgv s GLU 60 N -6.52 1.53 -0.02 1.20 2.02 -1.02 -4.19 118.70 111.71 3fgv s GLU 60 Ca 0.20 -0.47 0.05 0.00 0.02 0.00 0.00 54.97 54.77 3fgv s GLU 60 Cb -0.11 -1.33 -0.01 0.00 0.10 0.00 0.00 34.13 32.78 3fgv s GLU 60 CO 0.87 0.15 -0.16 -0.65 0.02 0.00 0.00 175.26 175.49 3fgv s GLN 61 N 0.26 1.38 -0.06 1.61 -0.21 -0.57 -1.00 119.66 121.07 3fgv s GLN 61 Ca -0.07 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 54.79 3fgv s GLN 61 Cb -0.12 -1.29 0.01 0.00 1.00 0.00 0.00 33.01 32.60 3fgv s GLN 61 CO 0.02 0.30 -0.15 0.08 -2.12 0.00 0.00 175.29 173.42 3fgv s VAL 62 N -0.23 1.30 0.39 1.09 1.01 -1.26 -0.28 120.40 122.42 3fgv s VAL 62 Ca 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3fgv s VAL 62 Cb -0.08 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3fgv s VAL 62 CO 0.00 0.39 0.24 0.52 0.00 0.00 0.00 175.10 176.25 3fgv n VAL 63 N 3.56 0.00 0.00 2.92 0.31 0.03 -4.37 118.33 120.78 3fgv n VAL 63 Ca -0.21 -1.61 0.00 0.00 -0.01 0.00 0.00 64.34 62.51 3fgv n VAL 63 Cb 0.52 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 3fgv n VAL 63 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fgv n HIS 65 N -1.34 0.00 -4.78 3.52 1.44 -0.58 -0.55 115.22 112.93 3fgv n HIS 65 Ca -0.04 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.34 3fgv n HIS 65 Cb 0.46 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.44 3fgv n HIS 65 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3fgv s ILE 66 N -1.91 3.29 -0.06 0.61 1.01 -0.36 -1.18 121.20 122.60 3fgv s ILE 66 Ca 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.06 3fgv s ILE 66 Cb 0.00 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.15 3fgv s ILE 66 CO 0.00 0.58 -0.17 0.26 0.00 0.00 0.00 174.94 175.61 3fgv s TRP 67 N -0.60 1.80 0.24 3.97 0.52 0.39 -0.25 118.94 125.01 3fgv s TRP 67 Ca 0.09 -0.62 -0.06 0.00 0.02 0.00 0.00 56.10 55.53 3fgv s TRP 67 Cb -0.11 -1.24 0.28 0.00 -1.15 0.00 0.00 33.47 31.25 3fgv s TRP 67 CO 0.01 -0.25 1.89 0.93 0.02 0.00 0.00 176.95 179.56 3fgv h GLU 68 N 6.58 1.14 -3.94 4.98 5.08 -1.20 -2.41 114.58 124.80 3fgv h GLU 68 Ca -0.29 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 3fgv h GLU 68 Cb 1.19 -0.26 -0.16 0.00 0.50 0.00 0.00 28.75 30.02 3fgv h GLU 68 CO 0.47 0.75 -0.54 0.95 -1.00 0.00 0.00 179.01 179.65 3fgv s THR 69 N -6.09 0.16 0.48 1.13 -4.23 -1.26 -4.25 115.64 101.58 3fgv s THR 69 Ca -0.13 -1.32 0.14 0.00 -1.18 0.00 0.00 61.69 59.20 3fgv s THR 69 Cb 0.18 -1.17 0.29 0.00 1.34 0.00 0.00 72.50 73.14 3fgv s THR 69 CO 0.80 -0.73 2.09 -0.65 -0.54 0.00 0.00 174.62 175.59 3fgv h PRO 70 N 3.32 0.19 -0.63 3.99 0.11 -1.96 -2.64 132.00 134.40 3fgv h PRO 70 Ca -0.33 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 3fgv h PRO 70 Cb 1.18 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3fgv h PRO 70 CO 0.56 0.13 0.07 -0.44 -0.21 0.00 0.00 178.00 178.11 3fgv h ASP 71 N 0.20 1.01 -0.32 -2.05 5.19 -1.99 -0.49 116.42 117.98 3fgv h ASP 71 Ca 0.11 -0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.22 3fgv h ASP 71 Cb 0.17 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3fgv h ASP 71 CO -0.02 1.02 0.02 0.00 -3.12 0.00 0.00 179.24 177.15 3fgv h ALA 72 N 1.09 0.43 -0.28 3.45 0.00 -1.81 -1.20 119.26 120.94 3fgv h ALA 72 Ca 0.19 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fgv h ALA 72 Cb 0.47 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3fgv h ALA 72 CO 0.02 0.15 0.08 1.25 0.00 0.00 0.00 179.25 180.75 3fgv h LEU 73 N 0.36 0.07 -0.80 0.00 5.85 -1.21 -1.47 115.31 118.11 3fgv h LEU 73 Ca 0.09 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 3fgv h LEU 73 Cb 0.40 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3fgv h LEU 73 CO 0.01 0.08 -0.18 -0.08 -0.34 0.00 0.00 178.44 177.93 3fgv h GLU 74 N 0.20 0.71 -0.65 1.25 4.57 -0.94 -0.52 114.58 119.20 3fgv h GLU 74 Ca 0.13 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 3fgv h GLU 74 Cb 0.11 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3fgv h GLU 74 CO -0.14 0.84 0.40 0.00 -1.18 0.00 0.00 179.01 178.93 3fgv h ALA 75 N 1.17 0.83 -0.37 2.92 0.00 -0.95 -1.45 119.26 121.41 3fgv h ALA 75 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fgv h ALA 75 Cb 0.65 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3fgv h ALA 75 CO 0.05 0.30 0.20 -0.92 0.00 0.00 0.00 179.25 178.88 3fgv h TYR 76 N 0.89 0.50 -0.55 0.00 3.20 -0.68 -0.46 116.97 119.87 3fgv h TYR 76 Ca 0.23 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 3fgv h TYR 76 Cb -0.04 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3fgv h TYR 76 CO -0.02 0.39 0.10 -0.07 -1.64 0.00 0.00 178.16 176.92 3fgv h LEU 77 N 0.47 0.82 -0.26 2.82 3.38 -0.86 -0.98 115.31 120.70 3fgv h LEU 77 Ca 0.13 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3fgv h LEU 77 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3fgv h LEU 77 CO -0.02 0.82 -0.07 0.74 0.09 0.00 0.00 178.44 180.00 3fgv h THR 78 N 0.83 1.28 -0.79 0.22 2.02 -1.16 -2.85 112.91 112.46 3fgv h THR 78 Ca 0.17 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 3fgv h THR 78 Cb 0.35 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3fgv h THR 78 CO 0.01 0.34 0.44 -0.25 0.37 0.00 0.00 175.52 176.43 3fgv h TRP 79 N 0.25 1.07 0.00 3.16 7.01 -0.73 -3.04 115.95 123.68 3fgv h TRP 79 Ca 0.07 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3fgv h TRP 79 Cb 0.54 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 3fgv h TRP 79 CO 0.05 0.74 -0.22 0.07 -2.79 0.00 0.00 178.44 176.29 3fgv h ARG 80 N 1.09 0.00 -0.97 2.65 0.11 -1.21 -3.40 114.38 112.65 3fgv h ARG 80 Ca 0.28 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.46 3fgv h ARG 80 Cb 0.02 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.02 3fgv h ARG 80 CO -0.05 0.00 0.61 0.00 0.10 0.00 0.00 179.97 180.63 3fgv h ALA 81 N 2.28 1.41 -0.40 0.08 0.00 -1.38 -2.19 119.26 119.06 3fgv h ALA 81 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fgv h ALA 81 Cb 0.86 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3fgv h ALA 81 CO 0.00 0.28 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 3fgv n ASP 82 N -4.60 3.10 -4.73 0.00 8.00 -1.26 -4.87 116.55 112.19 3fgv n ASP 82 Ca 0.17 -1.93 -0.41 0.00 0.71 0.00 0.00 54.79 53.32 3fgv n ASP 82 Cb 0.28 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.08 3fgv n ASP 82 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3fgv s ARG 83 N -1.06 4.59 0.29 -1.24 0.52 -0.83 -4.94 118.95 116.29 3fgv s ARG 83 Ca 0.30 1.62 -0.00 0.00 -0.52 0.00 0.00 55.73 57.12 3fgv s ARG 83 Cb 0.16 -3.34 0.49 0.00 0.52 0.00 0.00 34.95 32.78 3fgv s ARG 83 CO 0.22 0.05 1.90 0.78 0.02 0.00 0.00 175.30 178.26 3fgv h GLY 84 N 5.69 1.42 0.91 -3.53 0.00 -1.94 -0.96 103.07 104.65 3fgv h GLY 84 Ca -0.43 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.44 3fgv h GLY 84 CO 0.74 0.31 0.10 1.29 0.00 0.00 0.00 176.54 178.98 3fgv h ASP 85 N 1.09 0.43 -0.41 0.19 3.04 -1.95 -1.43 116.42 117.38 3fgv h ASP 85 Ca 0.41 -0.19 -0.11 0.00 -3.24 0.00 0.00 57.03 53.90 3fgv h ASP 85 Cb 0.20 -0.11 -0.02 0.00 -1.04 0.00 0.00 39.33 38.37 3fgv h ASP 85 CO -0.16 0.50 -0.15 -0.26 -2.04 0.00 0.00 179.24 177.13 3fgv h PHE 86 N 0.32 0.99 0.00 4.15 -1.00 -1.81 -2.98 116.94 116.61 3fgv h PHE 86 Ca 0.10 -0.21 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 3fgv h PHE 86 Cb 0.22 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 39.54 3fgv h PHE 86 CO 0.00 0.97 -0.10 -0.07 -1.61 0.00 0.00 178.31 177.50 3fgv h LEU 87 N 0.78 0.00 -2.33 1.54 3.38 -0.96 -2.97 115.31 114.75 3fgv h LEU 87 Ca 0.12 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3fgv h LEU 87 Cb 0.68 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3fgv h LEU 87 CO 0.05 0.10 0.12 -0.08 0.09 0.00 0.00 178.44 178.72 3fgv h GLU 88 N 0.00 0.00 -0.70 1.13 4.81 -1.10 -2.20 114.58 116.52 3fgv h GLU 88 Ca -0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 3fgv h GLU 88 Cb 0.53 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 3fgv h GLU 88 CO 0.01 0.00 0.49 0.82 -0.73 0.00 0.00 179.01 179.61 3fgv h ILE 89 N 0.00 0.68 0.00 2.32 1.08 -1.70 -1.80 117.51 118.09 3fgv h ILE 89 Ca 0.05 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.49 3fgv h ILE 89 Cb 0.29 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3fgv h ILE 89 CO -0.00 0.02 -0.02 0.78 -0.69 0.00 0.00 178.15 178.24 3fgv h ASN 90 N 0.08 0.00 0.65 1.72 2.35 -1.65 -0.93 115.58 117.80 3fgv h ASN 90 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3fgv h ASN 90 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3fgv h ASN 90 CO -0.03 0.02 0.00 -0.62 -1.65 0.00 0.00 177.43 175.14 3fgv n GLU 91 N -3.89 0.35 -0.00 0.81 4.71 -0.68 -3.96 120.64 117.97 3fgv n GLU 91 Ca -0.03 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.14 3fgv n GLU 91 Cb 0.10 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.01 3fgv n GLU 91 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3fgv n TYR 92 N -1.33 0.00 -3.64 -0.32 4.02 -0.38 -5.00 117.16 110.51 3fgv n TYR 92 Ca 0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.64 3fgv n TYR 92 Cb 0.26 -0.04 -0.06 0.00 -0.02 0.00 0.00 39.34 39.48 3fgv n TYR 92 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3fgv s LEU 93 N -2.67 4.43 -0.00 7.72 1.43 -1.05 -0.01 118.68 128.52 3fgv s LEU 93 Ca 0.00 0.76 -0.22 0.00 -1.03 0.00 0.00 54.13 53.64 3fgv s LEU 93 Cb 0.03 -2.39 -0.20 0.00 0.03 0.00 0.00 46.19 43.66 3fgv s LEU 93 CO 0.16 0.34 1.17 -0.08 0.23 0.00 0.00 176.35 178.17 3fgv h GLU 94 N 4.94 0.30 -4.59 1.70 4.81 -1.16 -3.42 114.58 117.16 3fgv h GLU 94 Ca -0.52 -0.24 -0.24 0.00 -0.13 0.00 0.00 59.36 58.23 3fgv h GLU 94 Cb 1.22 0.05 -0.15 0.00 0.63 0.00 0.00 28.75 30.50 3fgv h GLU 94 CO 0.61 0.89 -0.63 0.14 -0.73 0.00 0.00 179.01 179.29 3fgv s VAL 95 N -3.62 0.15 0.40 0.32 -7.23 -1.26 -5.02 120.40 104.13 3fgv s VAL 95 Ca -0.15 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 57.79 3fgv s VAL 95 Cb 0.03 -2.35 -0.11 0.00 0.56 0.00 0.00 36.38 34.52 3fgv s VAL 95 CO 0.76 -0.18 1.26 1.21 -0.31 0.00 0.00 175.10 177.84 3fgv n GLU 96 N -0.24 1.95 -1.78 4.82 2.13 -1.26 -4.72 120.64 121.54 3fgv n GLU 96 Ca -0.01 0.69 -0.39 0.00 0.66 0.00 0.00 57.16 58.10 3fgv n GLU 96 Cb 0.65 -2.34 0.03 0.00 0.27 0.00 0.00 31.44 30.05 3fgv n GLU 96 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3fgv s GLN 97 N -2.09 3.46 -0.46 5.31 -0.21 -1.26 -4.91 119.66 119.50 3fgv s GLN 97 Ca 0.59 2.37 -0.20 0.00 0.02 0.00 0.00 55.36 58.15 3fgv s GLN 97 Cb -0.53 -2.50 0.04 0.00 1.00 0.00 0.00 33.01 31.01 3fgv s GLN 97 CO 0.59 -0.98 0.60 0.34 -2.12 0.00 0.00 175.29 173.73 3fgv s ASP 98 N -0.66 6.26 -0.20 5.90 -1.08 -0.50 -4.94 116.67 121.45 3fgv s ASP 98 Ca 0.65 -0.61 -0.03 0.00 -0.52 0.00 0.00 52.55 52.04 3fgv s ASP 98 Cb -0.43 -2.29 -0.01 0.00 -1.46 0.00 0.00 42.92 38.73 3fgv s ASP 98 CO 0.54 -0.79 -0.06 0.12 0.52 0.00 0.00 175.17 175.50 3fgv s PHE 99 N 2.65 2.94 -0.00 -5.34 2.19 -1.26 -0.80 117.98 118.36 3fgv s PHE 99 Ca 0.18 -0.86 0.03 0.00 0.33 0.00 0.00 56.93 56.61 3fgv s PHE 99 Cb -0.16 -2.06 -0.01 0.00 -1.31 0.00 0.00 43.02 39.48 3fgv s PHE 99 CO 0.15 -0.47 -0.08 0.15 1.83 0.00 0.00 175.22 176.80 3fgv s LYS 100 N 1.24 0.66 0.04 10.12 1.02 -0.53 -5.02 119.74 127.27 3fgv s LYS 100 Ca 0.03 -0.33 0.05 0.00 0.02 0.00 0.00 55.97 55.73 3fgv s LYS 100 Cb -0.14 -0.63 -0.04 0.00 -0.52 0.00 0.00 37.83 36.50 3fgv s LYS 100 CO -0.02 0.17 -0.08 0.95 -0.92 0.00 0.00 175.35 175.45 3fgv s THR 101 N -0.28 3.54 0.05 2.17 -4.23 -1.26 -1.28 115.64 114.35 3fgv s THR 101 Ca 0.02 -0.94 -0.00 0.00 -1.18 0.00 0.00 61.69 59.59 3fgv s THR 101 Cb -0.04 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 3fgv s THR 101 CO -0.00 0.30 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.03 3fgv s TYR 102 N -1.06 0.54 0.01 3.99 1.51 0.30 -4.99 117.35 117.65 3fgv s TYR 102 Ca 0.18 -0.93 -0.24 0.00 -1.01 0.00 0.00 57.07 55.08 3fgv s TYR 102 Cb -0.11 -0.38 -0.05 0.00 -0.11 0.00 0.00 41.96 41.31 3fgv s TYR 102 CO 0.10 -0.30 0.72 -1.14 -1.11 0.00 0.00 175.55 173.82 3fgv s GLN 103 N -3.38 4.45 -0.15 -0.62 0.74 -1.26 -1.06 119.66 118.38 3fgv s GLN 103 Ca 0.03 0.97 -0.29 0.00 0.05 0.00 0.00 55.36 56.12 3fgv s GLN 103 Cb 0.04 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.76 3fgv s GLN 103 CO -0.07 0.25 1.05 -1.17 -0.55 0.00 0.00 175.29 174.80 3fgv s LEU 104 N 0.10 4.19 0.00 3.68 2.96 -0.66 -4.85 118.68 124.10 3fgv s LEU 104 Ca 0.37 1.51 0.32 0.00 -0.22 0.00 0.00 54.13 56.10 3fgv s LEU 104 Cb -0.19 -3.55 1.86 0.00 0.50 0.00 0.00 46.19 44.81 3fgv s LEU 104 CO 0.21 -0.56 2.20 0.00 -1.32 0.00 0.00 176.35 176.88