#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttv s HIS 14 N 0.00 2.69 0.00 1.20 5.65 -1.26 -3.96 115.29 119.61 1ttv s HIS 14 Ca 0.00 1.49 0.00 0.00 0.25 0.00 0.00 55.06 56.80 1ttv s HIS 14 Cb 0.00 -3.50 0.00 0.00 -1.18 0.00 0.00 32.58 27.90 1ttv s HIS 14 CO 0.00 -1.92 0.00 -0.89 -0.65 0.00 0.00 174.74 171.28 1ttv n ILE 15 N -0.69 0.00 -1.35 0.89 -0.00 -1.26 -4.91 119.36 112.03 1ttv n ILE 15 Ca 0.08 0.00 0.17 0.00 -0.00 0.00 0.00 62.75 63.00 1ttv n ILE 15 Cb 0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.07 1ttv n ILE 15 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1ttv n SER 16 N 1.73 -7.38 -1.47 4.38 2.88 -1.25 -4.99 113.62 107.51 1ttv n SER 16 Ca 0.00 1.31 0.19 0.00 -1.33 0.00 0.00 58.87 59.03 1ttv n SER 16 Cb 0.00 -3.75 -0.08 0.00 -0.75 0.00 0.00 64.21 59.64 1ttv n SER 16 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ttv n THR 17 N -3.68 -0.20 -1.96 2.46 -1.04 -1.26 -4.51 114.28 104.08 1ttv n THR 17 Ca 0.01 0.60 -0.41 0.00 -2.04 0.00 0.00 64.05 62.21 1ttv n THR 17 Cb 0.55 -1.10 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 1ttv n THR 17 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ttv s SER 18 N -7.30 5.50 0.41 8.00 1.04 -1.26 -4.83 113.70 115.26 1ttv s SER 18 Ca 0.00 0.93 0.19 0.00 0.48 0.00 0.00 55.95 57.55 1ttv s SER 18 Cb 0.00 -2.52 0.87 0.00 0.10 0.00 0.00 66.02 64.47 1ttv s SER 18 CO 0.00 -2.09 1.84 -2.24 0.98 0.00 0.00 173.24 171.73 1ttv h ASP 19 N 14.38 0.00 -2.31 7.02 3.04 -1.97 -3.44 116.42 133.14 1ttv h ASP 19 Ca -0.30 0.00 -0.57 0.00 -3.24 0.00 0.00 57.03 52.92 1ttv h ASP 19 Cb 1.18 0.00 0.04 0.00 -1.04 0.00 0.00 39.33 39.51 1ttv h ASP 19 CO 1.11 0.31 1.01 0.00 -2.04 0.00 0.00 179.24 179.63 1ttv n GLN 20 N -3.70 2.44 -2.18 4.15 6.02 -1.26 -4.98 117.38 117.88 1ttv n GLN 20 Ca -0.01 0.89 -0.27 0.00 -0.01 0.00 0.00 57.00 57.59 1ttv n GLN 20 Cb 0.42 -2.73 0.14 0.00 1.02 0.00 0.00 30.24 29.09 1ttv n GLN 20 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ttv s GLU 21 N 2.47 1.26 0.22 -1.09 2.02 -1.26 -4.99 118.70 117.33 1ttv s GLU 21 Ca 0.84 -0.58 -0.32 0.00 0.02 0.00 0.00 54.97 54.92 1ttv s GLU 21 Cb -0.60 -2.05 -0.13 0.00 0.10 0.00 0.00 34.13 31.45 1ttv s GLU 21 CO 0.41 -1.90 1.45 0.36 0.02 0.00 0.00 175.26 175.60 1ttv n LYS 22 N -3.33 2.07 -4.28 1.61 0.00 -1.26 -4.91 118.16 108.06 1ttv n LYS 22 Ca 0.14 0.74 -0.28 0.00 -0.00 0.00 0.00 58.31 58.91 1ttv n LYS 22 Cb 0.60 -2.42 -0.10 0.00 -0.00 0.00 0.00 35.03 33.11 1ttv n LYS 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1ttv s LEU 23 N 0.25 2.94 0.05 -5.58 1.02 -1.23 -3.87 118.68 112.27 1ttv s LEU 23 Ca 0.70 -0.54 0.04 0.00 0.02 0.00 0.00 54.13 54.36 1ttv s LEU 23 Cb -0.65 -1.67 -0.02 0.00 0.02 0.00 0.00 46.19 43.86 1ttv s LEU 23 CO 0.47 0.13 -0.12 0.68 0.02 0.00 0.00 176.35 177.52 1ttv s VAL 24 N -1.53 0.97 -0.44 -1.59 -7.23 0.12 -2.23 120.40 108.47 1ttv s VAL 24 Ca 0.23 -1.08 -0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1ttv s VAL 24 Cb -0.09 -0.92 0.08 0.00 0.56 0.00 0.00 36.38 36.01 1ttv s VAL 24 CO 0.14 -0.14 0.31 -1.58 -0.31 0.00 0.00 175.10 173.52 1ttv s GLN 25 N -1.38 2.72 0.18 4.82 2.00 -1.15 -1.44 119.66 125.41 1ttv s GLN 25 Ca -0.02 -1.45 -0.30 0.00 -2.00 0.00 0.00 55.36 51.59 1ttv s GLN 25 Cb -0.09 -3.90 -0.08 0.00 0.80 0.00 0.00 33.01 29.74 1ttv s GLN 25 CO 0.01 -1.00 1.25 -2.14 -0.50 0.00 0.00 175.29 172.92 1ttv s PRO 26 N 1.49 4.44 0.79 1.67 0.02 -1.26 -1.22 135.00 140.93 1ttv s PRO 26 Ca 0.03 1.94 -0.15 0.00 0.02 0.00 0.00 61.00 62.85 1ttv s PRO 26 Cb -0.24 -3.23 -0.00 0.00 0.02 0.00 0.00 34.50 31.05 1ttv s PRO 26 CO 0.03 -0.17 0.61 0.25 -0.33 0.00 0.00 177.00 177.39 1ttv n THR 27 N 2.69 1.46 -0.49 0.99 -2.24 -1.11 -4.13 114.28 111.45 1ttv n THR 27 Ca 0.06 -0.32 0.42 0.00 -2.27 0.00 0.00 64.05 61.94 1ttv n THR 27 Cb 0.44 -0.79 0.77 0.00 -2.10 0.00 0.00 70.33 68.65 1ttv n THR 27 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ttv h PRO 28 N -0.72 0.02 0.19 -0.78 0.11 -1.94 0.55 132.00 129.44 1ttv h PRO 28 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1ttv h PRO 28 Cb 1.32 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1ttv h PRO 28 CO 0.41 0.01 -0.09 1.25 -0.21 0.00 0.00 178.00 179.37 1ttv h LEU 29 N 0.02 -0.22 -1.16 2.35 5.85 -1.98 -3.09 115.31 117.07 1ttv h LEU 29 Ca 0.73 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 59.17 1ttv h LEU 29 Cb 2.87 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 43.92 1ttv h LEU 29 CO -0.04 0.32 0.57 0.25 -0.34 0.00 0.00 178.44 179.20 1ttv h LEU 30 N -0.90 0.99 -0.33 2.25 5.85 -1.11 -2.91 115.31 119.14 1ttv h LEU 30 Ca -0.03 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1ttv h LEU 30 Cb 0.50 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1ttv h LEU 30 CO 0.04 0.71 -0.55 0.25 -0.34 0.00 0.00 178.44 178.56 1ttv h LEU 31 N 1.16 -1.80 -0.63 2.25 6.46 -0.07 -0.90 115.31 121.78 1ttv h LEU 31 Ca 0.32 0.23 0.11 0.00 -0.12 0.00 0.00 57.88 58.42 1ttv h LEU 31 Cb -0.13 0.73 -0.08 0.00 -0.73 0.00 0.00 40.66 40.45 1ttv h LEU 31 CO -0.07 -0.43 0.18 0.28 -0.62 0.00 0.00 178.44 177.79 1ttv h SER 32 N -0.45 0.11 -0.58 1.25 0.02 -1.43 0.54 113.55 113.01 1ttv h SER 32 Ca 0.06 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.21 1ttv h SER 32 Cb 0.62 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.20 1ttv h SER 32 CO -0.55 0.06 0.17 -0.07 -1.14 0.00 0.00 176.83 175.30 1ttv h LEU 33 N 0.33 0.11 -0.02 5.07 3.38 -1.16 0.16 115.31 123.17 1ttv h LEU 33 Ca 0.33 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 1ttv h LEU 33 Cb 0.47 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ttv h LEU 33 CO -0.38 0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.16 1ttv h LEU 34 N 0.32 0.04 -1.09 1.67 3.38 0.17 0.96 115.31 120.75 1ttv h LEU 34 Ca 0.29 -0.26 0.31 0.00 0.09 0.00 0.00 57.88 58.31 1ttv h LEU 34 Cb 0.39 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.00 1ttv h LEU 34 CO -0.34 0.28 0.62 0.11 0.09 0.00 0.00 178.44 179.20 1ttv h LYS 35 N -0.21 0.36 0.00 1.13 1.79 0.13 0.87 116.57 120.64 1ttv h LYS 35 Ca 0.01 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.37 1ttv h LYS 35 Cb 0.26 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1ttv h LYS 35 CO 0.00 0.24 -0.84 1.03 -1.08 0.00 0.00 179.45 178.80 1ttv h SER 36 N 0.38 0.00 -0.08 0.86 0.87 -0.42 -3.28 113.55 111.86 1ttv h SER 36 Ca 0.70 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.26 1ttv h SER 36 Cb 1.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1ttv h SER 36 CO -0.51 0.32 0.00 0.00 -0.53 0.00 0.00 176.83 176.11 1ttv n ALA 37 N -2.25 2.54 -0.06 6.23 0.00 0.28 -4.83 120.51 122.42 1ttv n ALA 37 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ttv n ALA 37 Cb 0.69 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1ttv n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ttv n GLY 38 N 0.83 1.35 3.46 0.00 0.00 -0.52 -4.80 105.19 105.51 1ttv n GLY 38 Ca 0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1ttv n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ttv s ALA 39 N -2.02 2.61 0.13 4.61 0.00 -0.13 -4.98 121.76 121.98 1ttv s ALA 39 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1ttv s ALA 39 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1ttv s ALA 39 CO 0.00 0.58 0.00 1.04 0.00 0.00 0.00 175.76 177.38 1ttv n GLN 40 N 1.18 0.00 -0.65 0.00 1.13 -1.26 -4.12 117.38 113.66 1ttv n GLN 40 Ca -0.16 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.58 1ttv n GLN 40 Cb 0.52 -0.36 0.18 0.00 0.11 0.00 0.00 30.24 30.69 1ttv n GLN 40 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1ttv n LYS 41 N -3.38 -1.68 0.01 -1.09 0.00 -1.26 -4.94 118.16 105.81 1ttv n LYS 41 Ca 0.00 -0.47 -0.10 0.00 -0.00 0.00 0.00 58.31 57.74 1ttv n LYS 41 Cb 0.07 -1.75 -0.14 0.00 -0.00 0.00 0.00 35.03 33.21 1ttv n LYS 41 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1ttv h GLU 42 N -2.13 0.05 -6.42 -1.58 4.11 -1.98 -3.46 114.58 103.16 1ttv h GLU 42 Ca -0.55 -0.08 -0.69 0.00 0.07 0.00 0.00 59.36 58.11 1ttv h GLU 42 Cb 1.36 0.03 -0.27 0.00 0.50 0.00 0.00 28.75 30.37 1ttv h GLU 42 CO 0.39 0.73 -0.83 0.99 0.07 0.00 0.00 179.01 180.36 1ttv s THR 43 N -2.62 2.55 0.08 -1.06 2.01 -1.26 -4.27 115.64 111.06 1ttv s THR 43 Ca -0.05 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.08 1ttv s THR 43 Cb 0.08 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1ttv s THR 43 CO 0.82 0.58 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.85 1ttv s PHE 44 N -0.63 1.13 0.40 4.92 0.40 -0.52 -4.82 117.98 118.85 1ttv s PHE 44 Ca 0.10 -0.51 -0.23 0.00 -0.60 0.00 0.00 56.93 55.68 1ttv s PHE 44 Cb -0.11 -0.63 -0.10 0.00 0.51 0.00 0.00 43.02 42.70 1ttv s PHE 44 CO 0.00 0.04 1.00 0.95 0.70 0.00 0.00 175.22 177.91 1ttv s THR 45 N -1.62 4.01 0.56 0.64 -4.23 -1.25 0.12 115.64 113.87 1ttv s THR 45 Ca -0.00 1.46 0.46 0.00 -1.18 0.00 0.00 61.69 62.43 1ttv s THR 45 Cb -0.08 -3.72 0.67 0.00 1.34 0.00 0.00 72.50 70.72 1ttv s THR 45 CO 0.02 -0.06 1.62 -0.03 -0.54 0.00 0.00 174.62 175.62 1ttv h MET 46 N 2.42 0.00 -0.05 3.99 4.05 -1.93 0.59 114.93 124.00 1ttv h MET 46 Ca -0.48 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 58.90 1ttv h MET 46 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1ttv h MET 46 CO 0.62 0.00 -0.12 -0.22 0.23 0.00 0.00 176.91 177.42 1ttv h LYS 47 N 0.00 0.16 -0.16 0.39 1.63 -1.91 -2.07 116.57 114.62 1ttv h LYS 47 Ca 0.82 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 60.49 1ttv h LYS 47 Cb 3.35 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 34.99 1ttv h LYS 47 CO -0.01 0.72 0.03 0.93 -3.45 0.00 0.00 179.45 177.67 1ttv h GLU 48 N -0.37 0.25 0.08 1.90 4.39 -0.26 -1.41 114.58 119.17 1ttv h GLU 48 Ca -0.00 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1ttv h GLU 48 Cb 0.73 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1ttv h GLU 48 CO 0.03 0.42 -0.09 0.28 -1.16 0.00 0.00 179.01 178.48 1ttv h VAL 49 N 0.05 0.00 -1.01 3.13 2.07 -1.12 0.21 116.25 119.59 1ttv h VAL 49 Ca 0.05 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.86 1ttv h VAL 49 Cb 0.28 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1ttv h VAL 49 CO 0.00 0.00 0.81 0.25 0.02 0.00 0.00 177.57 178.65 1ttv h LEU 50 N -0.17 0.00 0.19 2.57 6.46 -1.44 -1.18 115.31 121.74 1ttv h LEU 50 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1ttv h LEU 50 Cb 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.09 1ttv h LEU 50 CO -0.02 0.00 -0.09 0.22 -0.62 0.00 0.00 178.44 177.93 1ttv h TYR 51 N 0.00 -0.24 -0.92 1.25 3.20 -0.26 -3.27 116.97 116.73 1ttv h TYR 51 Ca 0.48 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.55 1ttv h TYR 51 Cb 2.09 0.08 -0.07 0.00 1.54 0.00 0.00 36.73 40.36 1ttv h TYR 51 CO 0.00 0.14 0.61 0.45 -1.64 0.00 0.00 178.16 177.72 1ttv h HIS 52 N -0.92 0.57 -0.10 -3.82 -0.00 0.62 -0.92 115.15 110.59 1ttv h HIS 52 Ca -0.03 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.40 1ttv h HIS 52 Cb 0.49 -0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.67 1ttv h HIS 52 CO 0.07 0.14 -0.22 -0.07 -0.00 0.00 0.00 177.93 177.85 1ttv h LEU 53 N 0.42 -0.67 -1.34 2.43 -0.00 -1.51 1.12 115.31 115.75 1ttv h LEU 53 Ca 0.49 0.11 0.20 0.00 -0.00 0.00 0.00 57.88 58.68 1ttv h LEU 53 Cb 1.20 0.30 -0.08 0.00 -0.00 0.00 0.00 40.66 42.07 1ttv h LEU 53 CO -0.19 -0.27 0.61 1.23 -0.00 0.00 0.00 178.44 179.81 1ttv h GLY 54 N -0.30 1.17 1.94 0.83 0.00 -1.22 0.54 103.07 106.03 1ttv h GLY 54 Ca 0.09 -0.24 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1ttv h GLY 54 CO -0.27 -0.03 -0.76 1.46 0.00 0.00 0.00 176.54 176.95 1ttv h GLN 55 N 0.52 0.00 0.37 4.80 4.20 -0.91 -3.04 115.11 121.06 1ttv h GLN 55 Ca 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.21 1ttv h GLN 55 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 1ttv h GLN 55 CO -0.25 0.69 -0.18 -0.92 -0.67 0.00 0.00 178.83 177.50 1ttv h TYR 56 N 0.00 -0.46 -0.35 2.96 3.20 0.59 -2.62 116.97 120.28 1ttv h TYR 56 Ca -0.02 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.90 1ttv h TYR 56 Cb 1.56 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.92 1ttv h TYR 56 CO 0.00 -0.23 -0.01 0.82 -1.64 0.00 0.00 178.16 177.10 1ttv h ILE 57 N -1.10 0.73 -0.09 1.81 2.04 -0.64 -0.21 117.51 120.05 1ttv h ILE 57 Ca -0.05 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1ttv h ILE 57 Cb 0.44 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1ttv h ILE 57 CO 0.08 0.02 0.07 0.00 0.00 0.00 0.00 178.15 178.32 1ttv h MET 58 N 0.09 0.00 0.44 2.37 -0.00 -1.64 0.88 114.93 117.07 1ttv h MET 58 Ca 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.85 1ttv h MET 58 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1ttv h MET 58 CO -0.29 0.00 -0.21 0.00 -0.00 0.00 0.00 176.91 176.40 1ttv h ALA 59 N 1.95 -0.60 0.00 -3.00 0.00 -0.67 -3.26 119.26 113.68 1ttv h ALA 59 Ca 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1ttv h ALA 59 Cb 0.18 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ttv h ALA 59 CO -0.00 -0.58 -0.37 0.87 0.00 0.00 0.00 179.25 179.17 1ttv h LYS 60 N -1.11 0.00 -3.60 0.00 6.56 -1.11 -3.48 116.57 113.84 1ttv h LYS 60 Ca -0.06 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.47 1ttv h LYS 60 Cb 0.51 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 32.22 1ttv h LYS 60 CO 0.10 0.37 -0.19 0.94 -2.06 0.00 0.00 179.45 178.61 1ttv n GLN 61 N -3.98 -0.53 0.00 3.15 7.27 0.30 -4.97 117.38 118.62 1ttv n GLN 61 Ca -0.02 0.27 0.12 0.00 0.07 0.00 0.00 57.00 57.44 1ttv n GLN 61 Cb 0.42 -2.57 0.26 0.00 2.41 0.00 0.00 30.24 30.76 1ttv n GLN 61 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1ttv n LEU 62 N -1.85 0.86 -4.83 1.69 4.77 -1.13 -4.92 117.00 111.58 1ttv n LEU 62 Ca -0.02 -0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 55.44 1ttv n LEU 62 Cb 0.53 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1ttv n LEU 62 CO 0.14 0.18 0.67 -0.72 -1.33 0.00 0.00 177.39 176.33 1ttv s TYR 63 N -2.76 3.38 0.31 -1.77 -0.85 -1.26 -2.87 117.35 111.53 1ttv s TYR 63 Ca 0.17 1.52 -0.24 0.00 -0.52 0.00 0.00 57.07 58.00 1ttv s TYR 63 Cb 0.18 -2.82 -0.10 0.00 0.38 0.00 0.00 41.96 39.60 1ttv s TYR 63 CO 0.63 -0.30 0.89 0.34 -1.52 0.00 0.00 175.55 175.59 1ttv s ASP 64 N -2.71 7.22 0.08 -0.18 2.15 -0.70 -4.94 116.67 117.60 1ttv s ASP 64 Ca 0.60 1.71 -0.27 0.00 0.43 0.00 0.00 52.55 55.03 1ttv s ASP 64 Cb -0.10 -2.53 -0.16 0.00 -0.30 0.00 0.00 42.92 39.83 1ttv s ASP 64 CO 0.24 -0.07 1.69 -0.33 -0.17 0.00 0.00 175.17 176.53 1ttv h GLU 65 N 3.09 -0.36 0.11 4.34 4.39 -1.96 -3.26 114.58 120.93 1ttv h GLU 65 Ca -0.47 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.25 1ttv h GLU 65 Cb 1.19 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1ttv h GLU 65 CO 0.65 -0.24 -0.10 0.87 -1.16 0.00 0.00 179.01 179.02 1ttv h LYS 66 N -0.37 -0.20 -5.25 2.33 6.56 -2.00 -3.40 116.57 114.25 1ttv h LYS 66 Ca -0.03 0.01 -0.62 0.00 -1.06 0.00 0.00 60.65 58.96 1ttv h LYS 66 Cb 0.29 0.05 -0.13 0.00 -0.57 0.00 0.00 32.23 31.87 1ttv h LYS 66 CO 0.05 -0.13 -0.27 -0.65 -2.06 0.00 0.00 179.45 176.38 1ttv s GLN 67 N -3.58 4.09 0.35 3.15 -0.21 -1.23 -4.95 119.66 117.27 1ttv s GLN 67 Ca -0.04 0.05 0.23 0.00 0.02 0.00 0.00 55.36 55.62 1ttv s GLN 67 Cb 0.01 -3.59 0.21 0.00 1.00 0.00 0.00 33.01 30.64 1ttv s GLN 67 CO 0.12 -0.12 1.39 1.96 -2.12 0.00 0.00 175.29 176.52 1ttv h GLN 68 N 7.74 0.00 -0.54 2.91 7.50 -1.78 -3.09 115.11 127.84 1ttv h GLN 68 Ca -0.35 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.80 1ttv h GLN 68 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.69 1ttv h GLN 68 CO 0.67 0.01 0.00 -2.39 -1.50 0.00 0.00 178.83 175.62 1ttv n HIS 69 N -2.94 0.81 -4.88 2.96 1.44 -1.26 -4.78 115.22 106.56 1ttv n HIS 69 Ca 0.02 -0.34 -0.33 0.00 -2.01 0.00 0.00 57.72 55.07 1ttv n HIS 69 Cb 0.54 -0.11 -0.14 0.00 0.12 0.00 0.00 29.99 30.40 1ttv n HIS 69 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ttv s ILE 70 N -1.61 2.91 -0.29 0.61 -1.09 -1.22 -2.27 121.20 118.24 1ttv s ILE 70 Ca 0.31 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 1ttv s ILE 70 Cb 0.19 -2.18 0.09 0.00 -1.58 0.00 0.00 42.46 38.97 1ttv s ILE 70 CO 0.17 0.55 0.04 -0.69 -1.23 0.00 0.00 174.94 173.78 1ttv s VAL 71 N 0.01 1.41 -0.34 2.92 1.01 -0.80 -1.71 120.40 122.89 1ttv s VAL 71 Ca -0.05 -1.58 0.01 0.00 0.00 0.00 0.00 61.98 60.37 1ttv s VAL 71 Cb -0.14 -1.95 0.10 0.00 0.00 0.00 0.00 36.38 34.39 1ttv s VAL 71 CO 0.04 -0.48 0.10 -1.38 0.00 0.00 0.00 175.10 173.38 1ttv s HIS 72 N 1.37 2.53 -0.28 5.22 -3.43 -1.14 -1.70 115.29 117.86 1ttv s HIS 72 Ca 0.06 -2.32 -0.01 0.00 -0.80 0.00 0.00 55.06 51.99 1ttv s HIS 72 Cb -0.18 -2.21 0.09 0.00 -1.43 0.00 0.00 32.58 28.85 1ttv s HIS 72 CO -0.15 -0.89 0.06 0.00 -2.00 0.00 0.00 174.74 171.77 1ttv h SER 74 N 8.07 0.21 -3.77 0.00 0.02 -1.88 -3.35 113.55 112.85 1ttv h SER 74 Ca -0.14 -0.22 -0.76 0.00 -0.84 0.00 0.00 61.79 59.83 1ttv h SER 74 Cb 1.04 -0.06 -0.28 0.00 0.14 0.00 0.00 62.40 63.24 1ttv h SER 74 CO 0.44 0.38 -0.09 0.20 -1.14 0.00 0.00 176.83 176.62 1ttv s ASN 75 N -5.62 6.25 -0.28 3.07 0.02 -1.26 -4.60 114.94 112.52 1ttv s ASN 75 Ca -0.14 -2.56 -0.17 0.00 -1.02 0.00 0.00 52.86 48.97 1ttv s ASN 75 Cb 0.06 -2.11 0.09 0.00 0.02 0.00 0.00 41.25 39.32 1ttv s ASN 75 CO 0.70 -0.57 0.76 -0.62 0.02 0.00 0.00 177.10 177.39 1ttv s ASP 76 N 2.01 -0.84 0.53 -1.22 2.15 -1.26 -5.02 116.67 113.03 1ttv s ASP 76 Ca 0.15 1.36 0.43 0.00 0.43 0.00 0.00 52.55 54.91 1ttv s ASP 76 Cb -0.16 1.35 1.62 0.00 -0.30 0.00 0.00 42.92 45.43 1ttv s ASP 76 CO -0.06 -0.22 1.66 -0.65 -0.17 0.00 0.00 175.17 175.73 1ttv h PRO 77 N 6.65 0.02 0.18 4.34 0.10 -1.93 0.42 132.00 141.79 1ttv h PRO 77 Ca -0.30 -0.00 -0.01 0.00 0.10 0.00 0.00 66.00 65.79 1ttv h PRO 77 Cb 1.22 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.31 1ttv h PRO 77 CO 0.16 0.01 -0.09 1.25 0.10 0.00 0.00 178.00 179.44 1ttv h LEU 78 N 0.02 -0.21 -1.87 2.35 5.85 -1.95 -1.07 115.31 118.43 1ttv h LEU 78 Ca 0.80 0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.63 1ttv h LEU 78 Cb 3.09 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 44.15 1ttv h LEU 78 CO -0.08 -0.04 0.31 1.23 -0.34 0.00 0.00 178.44 179.52 1ttv h GLY 79 N -0.46 0.21 2.00 3.75 0.00 -1.40 0.21 103.07 107.38 1ttv h GLY 79 Ca -0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1ttv h GLY 79 CO 0.04 0.04 -0.57 -2.09 0.00 0.00 0.00 176.54 173.96 1ttv h GLU 80 N 0.15 0.00 0.17 4.80 4.57 -0.28 -0.02 114.58 123.97 1ttv h GLU 80 Ca 0.21 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1ttv h GLU 80 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1ttv h GLU 80 CO -0.03 0.57 -0.08 1.25 -1.18 0.00 0.00 179.01 179.54 1ttv h LEU 81 N 0.00 -0.19 -1.89 1.64 5.85 0.73 -3.30 115.31 118.15 1ttv h LEU 81 Ca -0.01 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1ttv h LEU 81 Cb 1.05 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1ttv h LEU 81 CO 0.07 0.34 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.13 1ttv h PHE 82 N -1.01 0.00 -0.18 1.25 0.04 -1.27 -3.46 116.94 112.30 1ttv h PHE 82 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1ttv h PHE 82 Cb 0.35 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1ttv h PHE 82 CO 0.04 0.13 0.00 0.41 -0.60 0.00 0.00 178.31 178.29 1ttv n GLY 83 N -0.92 0.81 3.32 -1.45 0.00 -0.13 -5.08 105.19 101.73 1ttv n GLY 83 Ca -0.02 -0.64 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 1ttv n GLY 83 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ttv s VAL 84 N -2.18 1.14 -0.12 1.61 -7.23 -0.54 -5.03 120.40 108.06 1ttv s VAL 84 Ca 0.00 -2.06 0.15 0.00 -1.81 0.00 0.00 61.98 58.26 1ttv s VAL 84 Cb 0.00 -2.21 -0.21 0.00 0.56 0.00 0.00 36.38 34.51 1ttv s VAL 84 CO 0.00 -0.44 0.14 1.67 -0.31 0.00 0.00 175.10 176.16 1ttv n GLN 85 N -0.37 1.19 -3.58 4.82 7.27 -1.26 -4.47 117.38 120.98 1ttv n GLN 85 Ca -0.06 -0.05 -0.16 0.00 0.07 0.00 0.00 57.00 56.80 1ttv n GLN 85 Cb 0.63 -1.40 -0.07 0.00 2.41 0.00 0.00 30.24 31.81 1ttv n GLN 85 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1ttv s GLU 86 N -2.59 0.93 -0.11 3.69 -1.05 -1.26 -2.11 118.70 116.20 1ttv s GLU 86 Ca -0.07 0.66 -0.30 0.00 -0.15 0.00 0.00 54.97 55.11 1ttv s GLU 86 Cb 0.06 0.45 0.08 0.00 -0.44 0.00 0.00 34.13 34.28 1ttv s GLU 86 CO 0.66 -0.20 0.75 -0.59 0.95 0.00 0.00 175.26 176.82 1ttv s PHE 87 N -0.33 -0.63 -0.23 4.83 -0.71 -0.69 -4.98 117.98 115.24 1ttv s PHE 87 Ca -0.05 1.18 -0.12 0.00 -1.04 0.00 0.00 56.93 56.90 1ttv s PHE 87 Cb -0.03 0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 42.13 1ttv s PHE 87 CO 0.05 -0.52 0.23 -1.54 -1.34 0.00 0.00 175.22 172.10 1ttv s SER 88 N -0.88 6.21 0.29 1.98 1.04 -1.26 -1.91 113.70 119.16 1ttv s SER 88 Ca -0.07 0.23 0.22 0.00 0.48 0.00 0.00 55.95 56.80 1ttv s SER 88 Cb -0.01 -2.14 1.07 0.00 0.10 0.00 0.00 66.02 65.04 1ttv s SER 88 CO 0.07 0.03 1.66 1.33 0.98 0.00 0.00 173.24 177.30 1ttv n VAL 89 N 4.30 1.00 -0.19 5.02 0.24 -0.96 -2.55 118.33 125.18 1ttv n VAL 89 Ca -0.13 0.56 0.29 0.00 -2.04 0.00 0.00 64.34 63.01 1ttv n VAL 89 Cb 0.52 -1.53 0.71 0.00 -1.47 0.00 0.00 33.84 32.07 1ttv n VAL 89 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1ttv h LYS 90 N 0.00 0.02 -4.29 7.34 1.57 -1.93 -3.12 116.57 116.16 1ttv h LYS 90 Ca 0.00 -0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.03 1ttv h LYS 90 Cb 0.12 -0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.25 1ttv h LYS 90 CO 0.00 0.01 1.47 0.39 -0.57 0.00 0.00 179.45 180.75 1ttv n GLU 91 N -4.28 3.48 0.10 3.15 -0.58 -1.06 -4.81 120.64 116.65 1ttv n GLU 91 Ca 0.19 -3.82 0.16 0.00 -0.42 0.00 0.00 57.16 53.27 1ttv n GLU 91 Cb 0.97 -2.96 0.68 0.00 -0.57 0.00 0.00 31.44 29.56 1ttv n GLU 91 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ttv h HIS 92 N 6.68 0.00 -0.27 -0.32 3.86 -1.85 -0.50 115.15 122.74 1ttv h HIS 92 Ca 0.33 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.43 1ttv h HIS 92 Cb 0.80 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 1ttv h HIS 92 CO 1.12 0.00 -0.27 0.00 0.86 0.00 0.00 177.93 179.64 1ttv h ARG 93 N 0.00 0.54 -0.00 2.45 3.08 -1.91 -2.28 114.38 116.26 1ttv h ARG 93 Ca 0.16 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ttv h ARG 93 Cb 0.65 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1ttv h ARG 93 CO -0.00 0.76 -0.00 0.00 -1.07 0.00 0.00 179.97 179.66 1ttv h ARG 94 N 0.47 0.00 0.10 0.04 -0.00 -1.50 -2.96 114.38 110.53 1ttv h ARG 94 Ca 0.06 -0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.55 1ttv h ARG 94 Cb 0.71 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.66 1ttv h ARG 94 CO 0.05 0.43 -0.14 0.82 0.00 0.00 0.00 179.97 181.13 1ttv h ILE 95 N -0.42 0.68 -1.00 2.04 2.04 -1.49 0.13 117.51 119.50 1ttv h ILE 95 Ca 0.00 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.10 1ttv h ILE 95 Cb 0.43 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.06 1ttv h ILE 95 CO 0.00 0.00 0.58 0.22 0.00 0.00 0.00 178.15 178.95 1ttv h TYR 96 N -0.28 1.00 0.02 1.37 3.20 -1.47 0.90 116.97 121.69 1ttv h TYR 96 Ca 0.02 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.66 1ttv h TYR 96 Cb 0.29 -0.28 0.02 0.00 1.54 0.00 0.00 36.73 38.30 1ttv h TYR 96 CO -0.15 0.06 -1.04 0.00 -1.64 0.00 0.00 178.16 175.39 1ttv h ALA 97 N 1.73 0.10 0.36 1.82 0.00 -1.24 -2.74 119.26 119.29 1ttv h ALA 97 Ca 0.64 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ttv h ALA 97 Cb 1.21 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ttv h ALA 97 CO -0.48 0.66 -0.23 0.52 0.00 0.00 0.00 179.25 179.72 1ttv h MET 98 N 0.34 -0.53 -0.58 0.00 2.86 0.15 -1.81 114.93 115.36 1ttv h MET 98 Ca -0.14 0.04 0.14 0.00 -2.06 0.00 0.00 59.70 57.68 1ttv h MET 98 Cb 1.71 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 33.46 1ttv h MET 98 CO 0.20 -0.36 0.41 -0.84 1.06 0.00 0.00 176.91 177.38 1ttv h ILE 99 N -0.55 0.77 0.16 -1.22 -0.00 -1.18 -1.85 117.51 113.63 1ttv h ILE 99 Ca -0.05 -0.05 -0.01 0.00 -0.00 0.00 0.00 64.86 64.76 1ttv h ILE 99 Cb 0.45 0.62 0.00 0.00 -0.00 0.00 0.00 36.82 37.89 1ttv h ILE 99 CO 0.04 0.03 -0.08 0.28 -0.00 0.00 0.00 178.15 178.42 1ttv h SER 100 N 0.14 -0.18 -0.00 2.16 0.02 -1.15 -1.85 113.55 112.69 1ttv h SER 100 Ca 0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1ttv h SER 100 Cb 0.91 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 1ttv h SER 100 CO -0.04 -0.11 0.00 0.03 -1.14 0.00 0.00 176.83 175.58 1ttv h ARG 101 N -0.24 0.00 -1.15 3.45 3.08 -0.48 -1.91 114.38 117.13 1ttv h ARG 101 Ca -0.02 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.52 1ttv h ARG 101 Cb 0.18 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.00 1ttv h ARG 101 CO 0.04 0.00 0.65 0.09 -1.07 0.00 0.00 179.97 179.68 1ttv n ASN 102 N -3.13 6.28 -4.12 7.04 3.02 -0.69 -4.85 115.26 118.81 1ttv n ASN 102 Ca -0.03 -3.45 -0.34 0.00 -0.03 0.00 0.00 54.58 50.73 1ttv n ASN 102 Cb 0.07 -0.95 -0.14 0.00 -0.61 0.00 0.00 39.78 38.16 1ttv n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ttv s LEU 103 N -2.94 4.13 0.00 3.41 1.43 -0.72 -2.76 118.68 121.23 1ttv s LEU 103 Ca 0.50 -1.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1ttv s LEU 103 Cb 0.40 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1ttv s LEU 103 CO 0.02 -0.31 0.41 1.33 0.23 0.00 0.00 176.35 178.03 1ttv n VAL 104 N 4.53 0.00 -3.76 -1.59 0.24 -0.36 -4.56 118.33 112.83 1ttv n VAL 104 Ca -0.09 0.91 -0.37 0.00 -2.04 0.00 0.00 64.34 62.74 1ttv n VAL 104 Cb 0.43 -1.71 -0.13 0.00 -1.47 0.00 0.00 33.84 30.96 1ttv n VAL 104 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1ttv s SER 105 N -2.40 5.08 -0.14 -1.34 0.01 -1.26 -5.01 113.70 108.64 1ttv s SER 105 Ca 0.00 -0.52 -0.29 0.00 1.31 0.00 0.00 55.95 56.44 1ttv s SER 105 Cb 0.00 -1.89 -0.03 0.00 0.21 0.00 0.00 66.02 64.32 1ttv s SER 105 CO 0.00 -0.13 1.41 0.00 0.41 0.00 0.00 173.24 174.93 1ttv s ALA 106 N 1.54 3.60 -0.38 1.44 0.00 -1.26 -2.92 121.76 123.78 1ttv s ALA 106 Ca 0.04 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 1ttv s ALA 106 Cb -0.16 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.29 1ttv s ALA 106 CO 0.02 -1.34 1.04 1.21 0.00 0.00 0.00 175.76 176.69 1ttv s ASN 107 N 2.62 6.75 0.21 0.00 3.84 -0.95 -4.97 114.94 122.44 1ttv s ASN 107 Ca 0.62 0.70 0.08 0.00 0.21 0.00 0.00 52.86 54.47 1ttv s ASN 107 Cb -0.25 -2.51 -0.05 0.00 -0.55 0.00 0.00 41.25 37.89 1ttv s ASN 107 CO 0.21 -0.98 -0.15 0.54 -2.79 0.00 0.00 177.10 173.93 1ttv s VAL 108 N 3.81 1.79 0.26 -5.21 0.11 -1.26 -3.48 120.40 116.42 1ttv s VAL 108 Ca 0.43 -2.20 -0.30 0.00 -2.93 0.00 0.00 61.98 56.99 1ttv s VAL 108 Cb -0.11 -2.04 -0.10 0.00 -1.53 0.00 0.00 36.38 32.61 1ttv s VAL 108 CO 0.21 -0.56 1.33 -0.75 -3.33 0.00 0.00 175.10 172.00 1ttv s LYS 109 N -3.56 4.36 0.33 1.54 2.20 -1.26 -4.92 119.74 118.42 1ttv s LYS 109 Ca 0.22 2.16 0.02 0.00 -0.36 0.00 0.00 55.97 58.01 1ttv s LYS 109 Cb -0.01 -3.13 0.56 0.00 -1.51 0.00 0.00 37.83 33.74 1ttv s LYS 109 CO 0.07 -0.25 1.92 0.93 -0.36 0.00 0.00 175.35 177.66 1ttv h GLU 110 N 4.56 0.75 -6.03 4.03 5.08 -2.04 -3.42 114.58 117.52 1ttv h GLU 110 Ca -0.46 -0.10 -0.61 0.00 -1.00 0.00 0.00 59.36 57.19 1ttv h GLU 110 Cb 1.22 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 1ttv h GLU 110 CO 0.73 0.61 -0.30 0.45 -1.00 0.00 0.00 179.01 179.50 1ttv s SER 111 N -6.58 6.59 -0.32 1.42 0.15 -1.26 -5.08 113.70 108.63 1ttv s SER 111 Ca -0.09 0.71 0.00 0.00 0.70 0.00 0.00 55.95 57.27 1ttv s SER 111 Cb 0.16 -2.15 0.10 0.00 -1.71 0.00 0.00 66.02 62.43 1ttv s SER 111 CO 0.77 0.21 0.09 -0.44 1.20 0.00 0.00 173.24 175.08 1ttv s SER 112 N -1.70 4.18 0.40 5.45 0.01 -1.26 -5.12 113.70 115.66 1ttv s SER 112 Ca 0.30 -1.77 -0.25 0.00 1.31 0.00 0.00 55.95 55.55 1ttv s SER 112 Cb -0.14 -1.03 -0.09 0.00 0.21 0.00 0.00 66.02 64.98 1ttv s SER 112 CO 0.17 -0.41 1.11 -1.61 0.41 0.00 0.00 173.24 172.92 1ttv s GLU 113 N 1.44 4.09 0.08 12.44 8.01 -1.26 -5.04 118.70 138.47 1ttv s GLU 113 Ca 0.10 1.68 -0.03 0.00 0.01 0.00 0.00 54.97 56.74 1ttv s GLU 113 Cb -0.18 -2.61 -0.05 0.00 -4.31 0.00 0.00 34.13 26.99 1ttv s GLU 113 CO -0.21 -0.24 0.28 0.16 0.01 0.00 0.00 175.26 175.25 1ttv s ASP 114 N -1.34 6.43 -0.41 -0.19 1.47 -1.26 -5.07 116.67 116.29 1ttv s ASP 114 Ca 0.58 0.43 -0.05 0.00 1.18 0.00 0.00 52.55 54.68 1ttv s ASP 114 Cb -0.27 -2.03 0.10 0.00 -0.34 0.00 0.00 42.92 40.39 1ttv s ASP 114 CO 0.33 0.14 0.22 -0.63 0.68 0.00 0.00 175.17 175.91 1ttv s ILE 115 N -1.54 3.61 0.36 2.11 1.01 -1.26 -4.94 121.20 120.56 1ttv s ILE 115 Ca 0.36 -1.79 0.15 0.00 0.00 0.00 0.00 60.65 59.36 1ttv s ILE 115 Cb -0.13 -3.35 0.12 0.00 0.01 0.00 0.00 42.46 39.11 1ttv s ILE 115 CO 0.25 -0.60 1.85 -0.26 0.00 0.00 0.00 174.94 176.18 1ttv h PHE 116 N 8.19 0.00 0.00 3.97 0.04 -2.00 -3.46 116.94 123.68 1ttv h PHE 116 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1ttv h PHE 116 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1ttv h PHE 116 CO 0.59 0.34 0.00 0.41 -0.60 0.00 0.00 178.31 179.05 1ttv n GLY 117 N -0.44 3.26 3.31 -1.45 0.00 -1.26 -5.01 105.19 103.60 1ttv n GLY 117 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1ttv n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ttv s ASN 118 N -1.06 5.44 0.00 1.61 -0.87 -1.26 -5.36 114.94 113.45 1ttv s ASN 118 Ca 0.00 -1.07 0.00 0.00 -1.57 0.00 0.00 52.86 50.22 1ttv s ASN 118 Cb 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 41.25 39.31 1ttv s ASN 118 CO 0.00 -0.34 0.00 0.52 -2.57 0.00 0.00 177.10 174.71