#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghf s ILE 6 N 0.00 -0.04 -0.05 0.52 1.01 -1.26 -5.16 121.20 116.22 3ghf s ILE 6 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.78 3ghf s ILE 6 Cb 0.00 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.97 3ghf s ILE 6 CO 0.00 0.05 -0.08 -0.70 0.00 0.00 0.00 174.94 174.21 3ghf s GLU 7 N 1.37 1.18 -0.27 2.79 2.12 -1.26 -5.13 118.70 119.49 3ghf s GLU 7 Ca -0.09 -0.23 -0.10 0.00 0.36 0.00 0.00 54.97 54.91 3ghf s GLU 7 Cb -0.09 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.19 3ghf s GLU 7 CO -0.11 -0.04 0.15 -1.17 -0.54 0.00 0.00 175.26 173.55 3ghf s LEU 8 N 0.82 3.85 0.09 2.70 2.96 -1.26 -5.09 118.68 122.76 3ghf s LEU 8 Ca -0.12 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 3ghf s LEU 8 Cb -0.15 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 3ghf s LEU 8 CO 0.01 -0.06 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.33 3ghf s LYS 9 N 1.70 0.84 0.16 1.98 -0.14 -1.26 -5.16 119.74 117.86 3ghf s LYS 9 Ca 0.07 -1.09 -0.11 0.00 -1.36 0.00 0.00 55.97 53.48 3ghf s LYS 9 Cb -0.16 -0.65 -0.07 0.00 -1.68 0.00 0.00 37.83 35.27 3ghf s LYS 9 CO 0.08 0.12 0.50 0.20 -0.76 0.00 0.00 175.35 175.50 3ghf s GLY 10 N -2.19 2.36 -0.09 -3.33 0.00 -1.26 -5.11 107.32 97.71 3ghf s GLY 10 Ca 0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.28 3ghf s GLY 10 CO 0.01 -0.05 0.49 -0.45 0.00 0.00 0.00 173.10 173.11 3ghf s SER 11 N -1.97 -0.45 0.09 1.64 0.15 -1.26 -5.14 113.70 106.76 3ghf s SER 11 Ca 0.40 0.60 -0.30 0.00 0.70 0.00 0.00 55.95 57.34 3ghf s SER 11 Cb -0.13 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 64.75 3ghf s SER 11 CO 0.20 -0.41 1.04 -0.55 1.20 0.00 0.00 173.24 174.72 3ghf s SER 12 N -0.75 7.34 0.03 5.45 0.15 -1.26 -5.08 113.70 119.58 3ghf s SER 12 Ca -0.08 1.87 0.06 0.00 0.70 0.00 0.00 55.95 58.50 3ghf s SER 12 Cb -0.03 -2.59 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 3ghf s SER 12 CO 0.05 -0.22 -0.18 -0.36 1.20 0.00 0.00 173.24 173.73 3ghf s PHE 13 N 0.36 1.58 -0.41 3.44 0.08 -1.26 -5.11 117.98 116.66 3ghf s PHE 13 Ca 0.51 -0.35 -0.15 0.00 0.12 0.00 0.00 56.93 57.06 3ghf s PHE 13 Cb -0.25 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3ghf s PHE 13 CO 0.31 0.05 0.31 0.99 -0.10 0.00 0.00 175.22 176.77 3ghf s THR 14 N -0.71 5.25 0.11 0.64 2.01 -1.26 -5.05 115.64 116.62 3ghf s THR 14 Ca 0.06 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.51 3ghf s THR 14 Cb -0.08 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3ghf s THR 14 CO 0.01 -0.30 -0.08 -0.76 -0.69 0.00 0.00 174.62 172.80 3ghf s LEU 15 N 1.71 3.14 0.08 4.42 1.43 -1.26 -5.10 118.68 123.10 3ghf s LEU 15 Ca 0.06 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 3ghf s LEU 15 Cb -0.19 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 3ghf s LEU 15 CO 0.10 0.17 0.95 -0.44 0.23 0.00 0.00 176.35 177.36 3ghf s SER 16 N -2.27 7.44 -0.11 2.29 0.01 -1.26 -4.96 113.70 114.85 3ghf s SER 16 Ca 0.23 1.73 0.03 0.00 1.31 0.00 0.00 55.95 59.25 3ghf s SER 16 Cb -0.11 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.55 3ghf s SER 16 CO 0.15 -0.10 -0.22 -0.69 0.41 0.00 0.00 173.24 172.79 3ghf s VAL 17 N 0.22 1.95 -0.35 3.43 1.01 -1.26 -0.81 120.40 124.59 3ghf s VAL 17 Ca 0.47 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3ghf s VAL 17 Cb -0.23 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.45 3ghf s VAL 17 CO 0.29 0.53 0.20 -0.69 0.00 0.00 0.00 175.10 175.43 3ghf s VAL 18 N 0.57 4.74 -0.38 2.92 1.01 0.14 -4.95 120.40 124.44 3ghf s VAL 18 Ca -0.14 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 3ghf s VAL 18 Cb -0.17 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.69 3ghf s VAL 18 CO 0.04 -0.11 0.83 -1.00 0.00 0.00 0.00 175.10 174.86 3ghf s HIS 19 N 1.61 3.07 -0.04 5.22 3.76 -1.26 -0.28 115.29 127.36 3ghf s HIS 19 Ca 0.04 0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 55.36 3ghf s HIS 19 Cb -0.18 -3.54 -0.05 0.00 1.11 0.00 0.00 32.58 29.92 3ghf s HIS 19 CO 0.07 -0.82 0.33 -0.51 -0.85 0.00 0.00 174.74 172.96 3ghf s LEU 20 N 3.26 4.44 0.19 0.89 1.43 -0.53 -4.97 118.68 123.39 3ghf s LEU 20 Ca 0.33 0.80 0.09 0.00 -1.03 0.00 0.00 54.13 54.33 3ghf s LEU 20 Cb -0.12 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3ghf s LEU 20 CO 0.19 0.34 -0.12 -1.00 0.23 0.00 0.00 176.35 175.98 3ghf s HIS 21 N -0.98 2.56 0.03 0.29 3.76 -1.26 -3.72 115.29 115.97 3ghf s HIS 21 Ca 0.21 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 3ghf s HIS 21 Cb -0.15 -1.25 -0.09 0.00 1.11 0.00 0.00 32.58 32.20 3ghf s HIS 21 CO 0.10 0.52 1.97 -1.91 -0.85 0.00 0.00 174.74 174.57 3ghf n GLU 22 N 0.04 2.82 -3.47 1.40 4.07 -1.06 -4.89 120.64 119.54 3ghf n GLU 22 Ca -0.11 1.03 -0.10 0.00 -0.06 0.00 0.00 57.16 57.92 3ghf n GLU 22 Cb 0.56 -2.98 -0.02 0.00 -0.06 0.00 0.00 31.44 28.94 3ghf n GLU 22 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ghf s ALA 23 N 4.40 -1.67 0.35 4.31 0.00 -1.26 -5.09 121.76 122.80 3ghf s ALA 23 Ca 0.89 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 3ghf s ALA 23 Cb -0.46 0.71 -0.12 0.00 0.00 0.00 0.00 23.12 23.25 3ghf s ALA 23 CO 0.43 -0.76 1.28 0.39 0.00 0.00 0.00 175.76 177.10 3ghf n GLU 24 N -0.34 2.10 -0.30 0.00 -0.58 -1.26 -4.77 120.64 115.49 3ghf n GLU 24 Ca -0.13 0.74 0.07 0.00 -0.42 0.00 0.00 57.16 57.42 3ghf n GLU 24 Cb 0.64 -2.32 0.18 0.00 -0.57 0.00 0.00 31.44 29.36 3ghf n GLU 24 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ghf h PRO 25 N 2.50 0.05 -0.15 3.49 0.11 -2.00 -0.06 132.00 135.94 3ghf h PRO 25 Ca -0.46 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3ghf h PRO 25 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3ghf h PRO 25 CO 0.62 0.03 -0.34 0.93 -0.21 0.00 0.00 178.00 179.03 3ghf h GLU 26 N 0.05 0.31 -0.54 1.05 4.39 -2.00 -1.50 114.58 116.35 3ghf h GLU 26 Ca 0.47 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.95 3ghf h GLU 26 Cb 0.84 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 3ghf h GLU 26 CO -0.80 0.62 0.03 0.28 -1.16 0.00 0.00 179.01 177.98 3ghf h VAL 27 N 0.27 1.26 -0.03 3.13 2.07 -1.43 -1.86 116.25 119.66 3ghf h VAL 27 Ca 0.03 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3ghf h VAL 27 Cb 0.74 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3ghf h VAL 27 CO 0.06 0.38 -0.00 0.40 0.02 0.00 0.00 177.57 178.43 3ghf h ILE 28 N 0.82 0.98 -0.28 4.57 2.04 -0.87 -0.83 117.51 123.95 3ghf h ILE 28 Ca 0.16 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 3ghf h ILE 28 Cb 0.50 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3ghf h ILE 28 CO 0.02 0.00 -0.11 -0.09 0.00 0.00 0.00 178.15 177.97 3ghf h ARG 29 N 0.01 -0.06 -0.42 2.37 2.43 -1.22 0.63 114.38 118.12 3ghf h ARG 29 Ca 0.01 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3ghf h ARG 29 Cb 0.02 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.52 3ghf h ARG 29 CO -0.02 -0.04 0.08 0.37 -1.51 0.00 0.00 179.97 178.85 3ghf h GLN 30 N -0.06 0.21 -0.56 0.20 5.75 -1.24 -1.11 115.11 118.29 3ghf h GLN 30 Ca 0.14 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 3ghf h GLN 30 Cb 0.28 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 3ghf h GLN 30 CO -0.33 0.14 0.18 0.00 -2.65 0.00 0.00 178.83 176.18 3ghf h ALA 31 N 1.32 0.74 -0.40 3.38 0.00 -0.74 -0.55 119.26 123.01 3ghf h ALA 31 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ghf h ALA 31 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ghf h ALA 31 CO -0.27 0.39 0.16 -0.07 0.00 0.00 0.00 179.25 179.47 3ghf h LEU 32 N 0.79 0.55 -0.57 0.00 3.38 -0.65 -1.44 115.31 117.37 3ghf h LEU 32 Ca 0.18 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ghf h LEU 32 Cb 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3ghf h LEU 32 CO -0.01 0.57 0.38 -0.33 0.09 0.00 0.00 178.44 179.14 3ghf h GLU 33 N 0.50 0.75 -0.60 1.13 5.08 -1.00 -0.97 114.58 119.47 3ghf h GLU 33 Ca 0.13 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3ghf h GLU 33 Cb 0.19 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3ghf h GLU 33 CO -0.01 0.50 0.27 -0.44 -1.00 0.00 0.00 179.01 178.33 3ghf h ASP 34 N 0.77 0.77 0.21 1.42 3.32 -0.96 -1.54 116.42 120.41 3ghf h ASP 34 Ca 0.21 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 3ghf h ASP 34 Cb -0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3ghf h ASP 34 CO -0.05 0.67 -0.66 0.50 -1.72 0.00 0.00 179.24 177.98 3ghf h LYS 35 N 0.85 0.42 -0.43 3.56 3.11 -0.62 -0.59 116.57 122.87 3ghf h LYS 35 Ca 0.21 -0.31 -0.08 0.00 -2.81 0.00 0.00 60.65 57.65 3ghf h LYS 35 Cb 0.11 0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 3ghf h LYS 35 CO -0.03 0.94 -0.05 0.82 -2.81 0.00 0.00 179.45 178.32 3ghf h ILE 36 N 0.30 1.27 -0.36 2.00 2.04 -0.85 0.12 117.51 122.03 3ghf h ILE 36 Ca -0.02 -1.12 -0.03 0.00 1.00 0.00 0.00 64.86 64.69 3ghf h ILE 36 Cb 1.22 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3ghf h ILE 36 CO 0.12 0.38 0.10 0.00 0.00 0.00 0.00 178.15 178.75 3ghf h ALA 37 N 0.88 0.48 -0.17 1.87 0.00 -1.21 -2.67 119.26 118.43 3ghf h ALA 37 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ghf h ALA 37 Cb 0.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ghf h ALA 37 CO 0.03 0.13 0.10 -0.56 0.00 0.00 0.00 179.25 178.95 3ghf h GLN 38 N 0.43 0.23 -2.22 0.00 3.07 -1.06 -3.37 115.11 112.20 3ghf h GLN 38 Ca 0.12 -0.02 -0.59 0.00 0.09 0.00 0.00 58.65 58.24 3ghf h GLN 38 Cb 0.28 -0.05 -0.42 0.00 0.08 0.00 0.00 27.48 27.37 3ghf h GLN 38 CO -0.00 0.20 -0.66 0.00 0.09 0.00 0.00 178.83 178.46 3ghf n ALA 39 N -2.17 4.18 -0.18 0.06 0.00 0.02 -4.94 120.51 117.50 3ghf n ALA 39 Ca -0.04 -4.62 -0.09 0.00 0.00 0.00 0.00 53.44 48.69 3ghf n ALA 39 Cb 0.05 -0.82 0.04 0.00 0.00 0.00 0.00 19.45 18.73 3ghf n ALA 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ghf h PRO 40 N 3.58 1.00 -0.97 0.00 0.11 -1.64 -1.24 132.00 132.84 3ghf h PRO 40 Ca 0.16 -0.35 0.15 0.00 0.11 0.00 0.00 66.00 66.08 3ghf h PRO 40 Cb 0.61 -0.07 -0.10 0.00 0.11 0.00 0.00 31.00 31.55 3ghf h PRO 40 CO 0.80 1.03 0.58 0.00 -0.21 0.00 0.00 178.00 180.20 3ghf h ALA 41 N 1.00 1.53 0.00 -0.75 0.00 -1.92 -0.52 119.26 118.61 3ghf h ALA 41 Ca 0.15 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3ghf h ALA 41 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3ghf h ALA 41 CO 0.04 0.05 -1.36 0.74 0.00 0.00 0.00 179.25 178.72 3ghf h PHE 42 N 0.82 0.00 0.00 0.00 0.04 -1.80 -3.42 116.94 112.59 3ghf h PHE 42 Ca 0.53 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.30 3ghf h PHE 42 Cb 0.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 3ghf h PHE 42 CO -0.02 0.63 -1.01 1.28 -0.60 0.00 0.00 178.31 178.58 3ghf n LEU 43 N -2.95 0.00 -4.66 1.54 4.77 -0.52 -4.70 117.00 110.48 3ghf n LEU 43 Ca -0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3ghf n LEU 43 Cb 0.86 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.92 3ghf n LEU 43 CO 0.43 0.00 1.50 -0.54 -1.33 0.00 0.00 177.39 177.45 3ghf s LYS 44 N -2.02 4.16 -1.95 3.23 -0.14 -0.21 -2.05 119.74 120.75 3ghf s LYS 44 Ca -0.00 2.43 0.00 0.00 -1.36 0.00 0.00 55.97 57.04 3ghf s LYS 44 Cb 0.00 -4.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.08 3ghf s LYS 44 CO 0.01 -0.90 0.00 0.72 -0.76 0.00 0.00 175.35 174.42 3ghf n HIS 45 N 7.31 -0.13 -1.86 3.18 8.25 -1.26 -4.91 115.22 125.80 3ghf n HIS 45 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 3ghf n HIS 45 Cb 0.42 -3.18 -0.03 0.00 1.12 0.00 0.00 29.99 28.32 3ghf n HIS 45 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ghf s ALA 46 N -2.55 3.81 0.06 -1.41 0.00 -0.87 -4.55 121.76 116.25 3ghf s ALA 46 Ca 0.00 1.41 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 3ghf s ALA 46 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 3ghf s ALA 46 CO 0.00 -0.89 1.33 -1.25 0.00 0.00 0.00 175.76 174.95 3ghf s PRO 47 N 1.47 4.34 0.03 0.00 0.04 -1.26 -1.22 135.00 138.41 3ghf s PRO 47 Ca 0.73 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.71 3ghf s PRO 47 Cb -0.45 -3.37 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 3ghf s PRO 47 CO 0.32 -0.42 -0.04 0.14 0.04 0.00 0.00 177.00 177.04 3ghf s VAL 48 N 1.47 0.23 -0.03 -0.36 -7.23 0.16 -4.46 120.40 110.18 3ghf s VAL 48 Ca 0.62 -0.99 -0.17 0.00 -1.81 0.00 0.00 61.98 59.63 3ghf s VAL 48 Cb -0.33 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 36.16 3ghf s VAL 48 CO 0.29 -0.49 0.48 -0.69 -0.31 0.00 0.00 175.10 174.38 3ghf s VAL 49 N -1.54 5.02 -0.30 1.32 1.01 0.01 -0.55 120.40 125.36 3ghf s VAL 49 Ca -0.13 0.99 -0.13 0.00 0.00 0.00 0.00 61.98 62.71 3ghf s VAL 49 Cb -0.09 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3ghf s VAL 49 CO -0.01 0.47 0.28 -0.63 0.00 0.00 0.00 175.10 175.20 3ghf s ILE 50 N -0.39 5.25 -0.26 2.22 -1.09 -0.80 -0.68 121.20 125.45 3ghf s ILE 50 Ca 0.26 0.19 -0.16 0.00 -2.23 0.00 0.00 60.65 58.72 3ghf s ILE 50 Cb -0.17 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 3ghf s ILE 50 CO 0.14 0.13 0.42 0.21 -1.23 0.00 0.00 174.94 174.60 3ghf s ASN 51 N 1.72 6.34 -0.14 3.58 3.84 0.61 -0.41 114.94 130.48 3ghf s ASN 51 Ca 0.10 0.40 0.16 0.00 0.21 0.00 0.00 52.86 53.72 3ghf s ASN 51 Cb -0.16 -2.24 0.58 0.00 -0.55 0.00 0.00 41.25 38.88 3ghf s ASN 51 CO 0.11 -0.20 1.49 1.33 -2.79 0.00 0.00 177.10 177.04 3ghf n VAL 52 N 5.01 2.03 0.23 -5.21 0.24 -0.64 -1.45 118.33 118.54 3ghf n VAL 52 Ca -0.07 -1.50 0.10 0.00 -2.04 0.00 0.00 64.34 60.83 3ghf n VAL 52 Cb 0.50 -0.04 0.55 0.00 -1.47 0.00 0.00 33.84 33.39 3ghf n VAL 52 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3ghf h SER 53 N 2.69 0.00 -0.04 -1.34 4.64 -1.73 -2.26 113.55 115.51 3ghf h SER 53 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ghf h SER 53 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3ghf h SER 53 CO 0.23 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 3ghf n GLY 54 N -0.21 -0.50 3.92 -0.77 0.00 -1.24 -4.87 105.19 101.51 3ghf n GLY 54 Ca -0.01 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3ghf n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghf s LEU 55 N -1.80 4.19 -0.12 0.99 1.43 -0.85 -2.57 118.68 119.94 3ghf s LEU 55 Ca 0.37 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.91 3ghf s LEU 55 Cb 0.18 -3.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 3ghf s LEU 55 CO 0.30 -0.08 -0.00 -1.61 0.23 0.00 0.00 176.35 175.19 3ghf s GLU 56 N -3.37 3.35 0.34 1.70 0.41 -1.26 -4.98 118.70 114.89 3ghf s GLU 56 Ca 0.40 -0.43 -0.28 0.00 -0.41 0.00 0.00 54.97 54.25 3ghf s GLU 56 Cb -0.11 -2.90 -0.09 0.00 -1.78 0.00 0.00 34.13 29.25 3ghf s GLU 56 CO 0.29 0.49 1.21 -1.12 -0.49 0.00 0.00 175.26 175.64 3ghf s SER 57 N -0.30 6.81 0.05 -0.19 0.01 -1.26 -3.96 113.70 114.87 3ghf s SER 57 Ca 0.06 2.47 -0.23 0.00 1.31 0.00 0.00 55.95 59.56 3ghf s SER 57 Cb -0.12 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 3ghf s SER 57 CO 0.02 -0.48 0.70 -2.16 0.41 0.00 0.00 173.24 171.73 3ghf s PRO 58 N -1.86 4.43 -0.09 12.44 0.04 -1.26 -5.17 135.00 143.53 3ghf s PRO 58 Ca 0.50 0.96 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 3ghf s PRO 58 Cb -0.35 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 3ghf s PRO 58 CO 0.45 0.37 0.56 0.08 0.04 0.00 0.00 177.00 178.50 3ghf s VAL 59 N -0.31 5.11 -1.01 -0.36 1.01 -1.25 -5.02 120.40 118.57 3ghf s VAL 59 Ca 0.35 1.14 -0.19 0.00 0.00 0.00 0.00 61.98 63.29 3ghf s VAL 59 Cb -0.20 -3.90 0.12 0.00 0.00 0.00 0.00 36.38 32.40 3ghf s VAL 59 CO 0.21 0.32 1.26 0.21 0.00 0.00 0.00 175.10 177.10 3ghf s ASN 60 N 0.56 6.69 0.12 3.32 3.84 -1.26 -4.91 114.94 123.29 3ghf s ASN 60 Ca 0.30 -2.11 -0.12 0.00 0.21 0.00 0.00 52.86 51.14 3ghf s ASN 60 Cb -0.16 -2.44 -0.11 0.00 -0.55 0.00 0.00 41.25 37.99 3ghf s ASN 60 CO 0.14 -1.09 1.38 -0.25 -2.79 0.00 0.00 177.10 174.48 3ghf h TRP 61 N 8.68 1.08 -0.88 0.43 2.91 -1.97 -1.85 115.95 124.35 3ghf h TRP 61 Ca 0.20 -0.41 0.07 0.00 1.13 0.00 0.00 58.89 59.89 3ghf h TRP 61 Cb 0.99 -0.19 -0.07 0.00 -0.51 0.00 0.00 29.16 29.38 3ghf h TRP 61 CO 1.19 1.23 0.54 -1.35 -1.03 0.00 0.00 178.44 179.02 3ghf h PRO 62 N 0.62 0.93 -0.22 2.65 0.11 -1.93 0.12 132.00 134.29 3ghf h PRO 62 Ca -0.00 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 3ghf h PRO 62 Cb 1.20 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3ghf h PRO 62 CO 0.13 0.62 0.01 1.49 -0.21 0.00 0.00 178.00 180.04 3ghf h GLU 63 N 0.96 0.37 -0.54 1.05 4.81 -1.96 -2.51 114.58 116.76 3ghf h GLU 63 Ca 0.40 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.45 3ghf h GLU 63 Cb 0.24 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3ghf h GLU 63 CO -0.20 0.55 0.10 1.25 -0.73 0.00 0.00 179.01 179.98 3ghf h LEU 64 N 0.15 0.85 -0.19 1.64 5.85 -0.97 -1.92 115.31 120.72 3ghf h LEU 64 Ca 0.06 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.58 3ghf h LEU 64 Cb 0.37 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3ghf h LEU 64 CO 0.01 0.89 -0.13 -0.74 -0.34 0.00 0.00 178.44 178.13 3ghf h HIS 65 N 0.78 -0.32 -0.48 1.25 2.76 -0.77 -1.21 115.15 117.15 3ghf h HIS 65 Ca 0.17 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 3ghf h HIS 65 Cb 0.40 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 3ghf h HIS 65 CO 0.03 -0.20 0.19 -0.22 -1.30 0.00 0.00 177.93 176.43 3ghf h LYS 66 N -0.13 0.69 -0.21 5.26 3.64 -1.26 -1.35 116.57 123.21 3ghf h LYS 66 Ca 0.11 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3ghf h LYS 66 Cb 0.30 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3ghf h LYS 66 CO -0.27 0.58 -0.03 0.82 -2.27 0.00 0.00 179.45 178.29 3ghf h ILE 67 N 0.69 1.27 -0.06 2.00 2.04 -1.00 -1.17 117.51 121.29 3ghf h ILE 67 Ca 0.17 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3ghf h ILE 67 Cb 0.15 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3ghf h ILE 67 CO -0.01 0.30 0.02 0.58 0.00 0.00 0.00 178.15 179.03 3ghf h VAL 68 N 0.13 1.16 -0.19 1.67 2.07 -0.97 -3.19 116.25 116.93 3ghf h VAL 68 Ca 0.06 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 3ghf h VAL 68 Cb 0.46 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3ghf h VAL 68 CO 0.02 0.14 -0.38 0.71 0.02 0.00 0.00 177.57 178.08 3ghf h THR 69 N -0.09 1.30 -0.13 2.57 1.35 -1.34 -2.52 112.91 114.06 3ghf h THR 69 Ca 0.02 -1.49 0.04 0.00 -0.55 0.00 0.00 66.41 64.43 3ghf h THR 69 Cb 0.20 1.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 3ghf h THR 69 CO -0.00 0.46 0.47 0.77 -0.25 0.00 0.00 175.52 176.97 3ghf h SER 70 N 0.35 0.00 -0.01 5.36 4.64 -1.20 0.35 113.55 123.04 3ghf h SER 70 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3ghf h SER 70 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3ghf h SER 70 CO 0.07 0.00 -0.07 0.35 -0.87 0.00 0.00 176.83 176.30 3ghf n THR 71 N -3.03 0.00 0.00 2.95 -2.24 -0.95 -4.96 114.28 106.05 3ghf n THR 71 Ca 0.01 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3ghf n THR 71 Cb 0.55 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3ghf n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ghf n GLY 72 N 1.31 0.75 3.75 3.38 0.00 0.12 -4.77 105.19 109.72 3ghf n GLY 72 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3ghf n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghf s LEU 73 N 0.00 4.40 -0.26 0.99 1.43 -1.24 -4.10 118.68 119.90 3ghf s LEU 73 Ca 0.00 2.64 -0.08 0.00 -1.03 0.00 0.00 54.13 55.66 3ghf s LEU 73 Cb 0.00 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 3ghf s LEU 73 CO 0.00 -0.63 0.10 -0.13 0.23 0.00 0.00 176.35 175.92 3ghf s ARG 74 N -0.79 3.73 -0.45 1.70 0.52 -0.35 -4.27 118.95 119.04 3ghf s ARG 74 Ca 0.56 -0.44 -0.24 0.00 -0.52 0.00 0.00 55.73 55.08 3ghf s ARG 74 Cb -0.40 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 31.69 3ghf s ARG 74 CO 0.46 -0.18 0.87 0.42 0.02 0.00 0.00 175.30 176.88 3ghf s ILE 75 N 1.64 4.56 0.01 1.52 1.01 -1.26 0.36 121.20 129.04 3ghf s ILE 75 Ca 0.06 0.67 -0.24 0.00 0.00 0.00 0.00 60.65 61.14 3ghf s ILE 75 Cb -0.15 -4.37 -0.17 0.00 0.01 0.00 0.00 42.46 37.77 3ghf s ILE 75 CO 0.05 -0.75 1.34 0.40 0.00 0.00 0.00 174.94 175.98 3ghf h ILE 76 N 6.01 1.34 -1.52 2.92 2.04 -1.19 -3.47 117.51 123.64 3ghf h ILE 76 Ca -0.24 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.54 3ghf h ILE 76 Cb 1.08 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 3ghf h ILE 76 CO 0.99 0.30 0.09 0.61 0.00 0.00 0.00 178.15 180.15 3ghf n GLY 77 N 0.10 0.95 3.04 5.37 0.00 -1.26 -4.29 105.19 109.10 3ghf n GLY 77 Ca -0.07 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 3ghf n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ghf s VAL 78 N -2.35 1.14 0.30 1.61 1.01 -0.12 -1.90 120.40 120.09 3ghf s VAL 78 Ca 0.03 -0.50 0.10 0.00 0.00 0.00 0.00 61.98 61.61 3ghf s VAL 78 Cb -0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3ghf s VAL 78 CO 0.00 0.35 -0.07 -0.94 0.00 0.00 0.00 175.10 174.45 3ghf s SER 79 N 0.53 4.07 -0.28 3.32 1.04 0.45 -1.20 113.70 121.62 3ghf s SER 79 Ca -0.12 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.39 3ghf s SER 79 Cb -0.15 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.44 3ghf s SER 79 CO 0.03 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.78 3ghf n GLY 80 N -0.82 0.59 3.70 7.32 0.00 -1.26 -1.62 105.19 113.09 3ghf n GLY 80 Ca -0.05 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3ghf n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ghf n LYS 82 N 4.67 2.00 -2.00 0.00 4.76 -1.26 -5.03 118.16 121.29 3ghf n LYS 82 Ca 0.09 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.13 3ghf n LYS 82 Cb 0.47 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 3ghf n LYS 82 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3ghf s ASP 83 N -4.16 6.66 0.09 4.39 -1.08 -1.26 -4.94 116.67 116.37 3ghf s ASP 83 Ca -0.06 2.49 -0.19 0.00 -0.52 0.00 0.00 52.55 54.27 3ghf s ASP 83 Cb 0.02 -2.58 -0.08 0.00 -1.46 0.00 0.00 42.92 38.82 3ghf s ASP 83 CO 0.25 -0.79 1.62 0.00 0.52 0.00 0.00 175.17 176.76 3ghf h ALA 84 N 7.22 0.29 0.00 3.66 0.00 -2.00 -2.27 119.26 126.17 3ghf h ALA 84 Ca -0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ghf h ALA 84 Cb 1.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ghf h ALA 84 CO 0.91 -0.09 -0.01 0.66 0.00 0.00 0.00 179.25 180.72 3ghf h SER 85 N 0.20 0.00 -0.24 0.00 4.64 -2.00 -2.38 113.55 113.77 3ghf h SER 85 Ca 0.07 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 3ghf h SER 85 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3ghf h SER 85 CO -0.00 0.01 -0.11 0.25 -0.87 0.00 0.00 176.83 176.11 3ghf h LEU 86 N 0.00 0.52 -0.47 5.97 5.85 -1.90 -2.72 115.31 122.56 3ghf h LEU 86 Ca -0.00 -0.40 0.09 0.00 0.84 0.00 0.00 57.88 58.41 3ghf h LEU 86 Cb 0.83 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.63 3ghf h LEU 86 CO 0.00 0.80 -0.09 0.11 -0.34 0.00 0.00 178.44 178.92 3ghf h LYS 87 N 0.23 0.02 -0.27 1.25 1.57 -0.92 -1.39 116.57 117.07 3ghf h LYS 87 Ca 0.06 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3ghf h LYS 87 Cb 0.60 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.84 3ghf h LYS 87 CO 0.03 0.01 -0.23 0.28 -0.57 0.00 0.00 179.45 178.97 3ghf h VAL 88 N 0.02 0.40 -0.76 0.50 2.07 -1.45 -0.30 116.25 116.73 3ghf h VAL 88 Ca 0.23 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.81 3ghf h VAL 88 Cb 0.35 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3ghf h VAL 88 CO -0.47 0.00 0.50 -0.33 0.02 0.00 0.00 177.57 177.29 3ghf h GLU 89 N -0.23 0.80 -0.11 1.57 5.08 -1.16 0.08 114.58 120.61 3ghf h GLU 89 Ca 0.14 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 3ghf h GLU 89 Cb 0.45 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ghf h GLU 89 CO -0.40 0.53 -0.42 0.82 -1.00 0.00 0.00 179.01 178.54 3ghf h ILE 90 N 0.82 1.37 -0.62 3.13 2.04 -0.57 -3.22 117.51 120.47 3ghf h ILE 90 Ca 0.32 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 3ghf h ILE 90 Cb 0.22 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 3ghf h ILE 90 CO -0.11 0.52 0.26 0.44 0.00 0.00 0.00 178.15 179.26 3ghf h ASP 91 N 0.08 0.82 -0.80 1.72 3.32 -0.72 -2.47 116.42 118.37 3ghf h ASP 91 Ca -0.02 -0.10 0.23 0.00 0.02 0.00 0.00 57.03 57.15 3ghf h ASP 91 Cb 1.06 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3ghf h ASP 91 CO 0.09 0.73 0.57 0.03 -1.72 0.00 0.00 179.24 178.94 3ghf h ARG 92 N 0.89 0.02 0.00 3.56 3.08 -0.99 0.88 114.38 121.82 3ghf h ARG 92 Ca 0.21 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3ghf h ARG 92 Cb 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ghf h ARG 92 CO -0.02 0.01 -0.58 -1.33 -1.07 0.00 0.00 179.97 176.98 3ghf n MET 93 N -4.31 0.29 -1.13 0.04 2.81 -0.95 -4.97 117.12 108.90 3ghf n MET 93 Ca 0.16 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 3ghf n MET 93 Cb 0.85 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 3ghf n MET 93 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ghf n GLY 94 N 1.33 0.41 3.76 3.03 0.00 0.31 -5.04 105.19 108.98 3ghf n GLY 94 Ca 0.03 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 3ghf n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ghf s LEU 95 N 0.00 4.47 0.48 0.99 1.43 -1.11 -5.01 118.68 119.93 3ghf s LEU 95 Ca 0.00 1.44 -0.22 0.00 -1.03 0.00 0.00 54.13 54.32 3ghf s LEU 95 Cb 0.00 -3.19 -0.07 0.00 0.03 0.00 0.00 46.19 42.96 3ghf s LEU 95 CO 0.00 0.07 1.15 -2.16 0.23 0.00 0.00 176.35 175.64 3ghf s PRO 96 N -0.31 3.67 -0.03 1.29 0.04 -1.26 -4.51 135.00 133.90 3ghf s PRO 96 Ca 0.37 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 3ghf s PRO 96 Cb -0.21 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 3ghf s PRO 96 CO 0.23 -0.61 0.34 -0.51 0.04 0.00 0.00 177.00 176.49 3ghf s LEU 97 N -3.21 4.45 0.07 -3.56 1.43 -1.26 -0.95 118.68 115.65 3ghf s LEU 97 Ca 0.66 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.63 3ghf s LEU 97 Cb -0.27 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 3ghf s LEU 97 CO 0.32 0.34 -0.12 -0.76 0.23 0.00 0.00 176.35 176.37 3ghf s LEU 98 N -1.09 2.30 -0.19 1.79 1.43 -0.34 -4.87 118.68 117.70 3ghf s LEU 98 Ca 0.22 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3ghf s LEU 98 Cb -0.15 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 3ghf s LEU 98 CO 0.11 -0.15 0.03 -0.89 0.23 0.00 0.00 176.35 175.68 3ghf s THR 99 N -1.56 4.32 0.57 5.49 2.01 -1.26 -4.27 115.64 120.93 3ghf s THR 99 Ca -0.02 -0.19 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 3ghf s THR 99 Cb -0.08 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3ghf s THR 99 CO 0.01 0.44 1.02 -1.61 -0.69 0.00 0.00 174.62 173.79 3ghf s GLU 100 N 0.75 3.61 0.00 4.92 2.02 -1.26 -5.09 118.70 123.65 3ghf s GLU 100 Ca 0.02 1.03 0.00 0.00 0.02 0.00 0.00 54.97 56.03 3ghf s GLU 100 Cb -0.14 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3ghf s GLU 100 CO 0.02 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.15 3ghf n GLY 101 N -1.51 7.27 3.54 -1.39 0.00 -1.26 -5.12 105.19 106.73 3ghf n GLY 101 Ca 0.07 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 3ghf n GLY 101 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ghf n LYS 102 N -0.00 0.48 -2.05 1.61 2.85 -1.26 -4.93 118.16 114.86 3ghf n LYS 102 Ca 0.00 0.21 -0.41 0.00 -1.05 0.00 0.00 58.31 57.06 3ghf n LYS 102 Cb 0.00 -2.01 -0.01 0.00 -0.65 0.00 0.00 35.03 32.35 3ghf n LYS 102 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3ghf s GLU 103 N -2.90 4.25 0.00 -1.58 2.12 -1.26 -5.13 118.70 114.20 3ghf s GLU 103 Ca 0.70 2.27 0.00 0.00 0.36 0.00 0.00 54.97 58.30 3ghf s GLU 103 Cb -0.37 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3ghf s GLU 103 CO 0.53 -0.29 0.00 0.36 -0.54 0.00 0.00 175.26 175.32