#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 2.73 0.39 3.10 3.76 -1.26 -5.12 115.29 118.89 1ttv s HIS 14 Ca 0.00 -0.15 -0.15 0.00 -0.15 0.00 0.00 55.06 54.61 1ttv s HIS 14 Cb 0.00 -1.54 0.06 0.00 1.11 0.00 0.00 32.58 32.21 1ttv s HIS 14 CO 0.00 0.31 0.79 0.96 -0.85 0.00 0.00 174.74 175.96 1ttv s ILE 15 N -0.96 0.00 -0.03 0.60 -4.36 -1.26 -5.19 121.20 110.00 1ttv s ILE 15 Ca 0.16 -1.00 -0.14 0.00 -0.26 0.00 0.00 60.65 59.41 1ttv s ILE 15 Cb -0.11 -2.94 0.02 0.00 1.25 0.00 0.00 42.46 40.69 1ttv s ILE 15 CO 0.07 0.00 0.31 -0.94 0.24 0.00 0.00 174.94 174.62 1ttv s SER 16 N -3.08 -0.21 0.84 4.36 1.04 -1.26 -5.13 113.70 110.26 1ttv s SER 16 Ca 0.16 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1ttv s SER 16 Cb -0.05 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1ttv s SER 16 CO 0.12 -0.40 0.00 0.35 0.98 0.00 0.00 173.24 174.29 1ttv n THR 17 N 1.51 0.00 -2.32 2.02 -2.24 -1.26 -4.55 114.28 107.44 1ttv n THR 17 Ca -0.20 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1ttv n THR 17 Cb 0.56 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 1ttv n THR 17 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ttv s SER 18 N -4.00 6.90 0.00 3.42 1.04 -1.26 -4.83 113.70 114.98 1ttv s SER 18 Ca 0.00 1.90 0.05 0.00 0.48 0.00 0.00 55.95 58.37 1ttv s SER 18 Cb 0.00 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.65 1ttv s SER 18 CO 0.00 -0.74 0.97 0.47 0.98 0.00 0.00 173.24 174.92 1ttv n ASP 19 N 6.08 -0.49 -4.51 7.02 9.92 -1.26 -5.12 116.55 128.18 1ttv n ASP 19 Ca 0.14 -1.88 -0.31 0.00 -0.53 0.00 0.00 54.79 52.20 1ttv n ASP 19 Cb 0.45 0.14 -0.12 0.00 -0.64 0.00 0.00 41.12 40.95 1ttv n ASP 19 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1ttv s GLN 20 N 0.00 2.30 -0.09 -1.24 0.74 -1.26 -5.02 119.66 115.09 1ttv s GLN 20 Ca 0.06 -0.85 0.13 0.00 0.05 0.00 0.00 55.36 54.74 1ttv s GLN 20 Cb 0.07 -2.33 -0.19 0.00 1.10 0.00 0.00 33.01 31.66 1ttv s GLN 20 CO -0.03 0.57 0.14 0.39 -0.55 0.00 0.00 175.29 175.81 1ttv n GLU 21 N 1.61 1.34 -3.22 1.67 1.02 -1.26 -5.00 120.64 116.80 1ttv n GLU 21 Ca -0.16 -0.05 -0.27 0.00 -0.02 0.00 0.00 57.16 56.67 1ttv n GLU 21 Cb 0.52 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 1ttv n GLU 21 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ttv s LYS 22 N -2.56 3.56 0.28 3.49 -0.14 -1.26 -5.11 119.74 118.01 1ttv s LYS 22 Ca -0.06 -0.08 0.05 0.00 -1.36 0.00 0.00 55.97 54.52 1ttv s LYS 22 Cb 0.06 -2.60 -0.06 0.00 -1.68 0.00 0.00 37.83 33.55 1ttv s LYS 22 CO 0.57 0.11 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.74 1ttv s LEU 23 N -4.06 2.36 0.33 3.17 1.02 -1.26 -4.62 118.68 115.61 1ttv s LEU 23 Ca 0.43 -1.25 0.10 0.00 0.02 0.00 0.00 54.13 53.43 1ttv s LEU 23 Cb -0.10 -0.50 -0.06 0.00 0.02 0.00 0.00 46.19 45.55 1ttv s LEU 23 CO 0.35 -0.45 -0.11 0.68 0.02 0.00 0.00 176.35 176.84 1ttv s VAL 24 N -3.17 2.31 -0.43 -1.59 -7.23 0.35 -1.47 120.40 109.17 1ttv s VAL 24 Ca 0.31 -2.23 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1ttv s VAL 24 Cb 0.06 -2.59 0.12 0.00 0.56 0.00 0.00 36.38 34.52 1ttv s VAL 24 CO 0.12 -0.24 0.19 -1.58 -0.31 0.00 0.00 175.10 173.28 1ttv s GLN 25 N -3.59 1.89 0.24 4.82 2.00 -1.16 -1.45 119.66 122.40 1ttv s GLN 25 Ca 0.32 -2.08 -0.31 0.00 -2.00 0.00 0.00 55.36 51.29 1ttv s GLN 25 Cb 0.01 -3.42 -0.11 0.00 0.80 0.00 0.00 33.01 30.29 1ttv s GLN 25 CO 0.16 -1.05 1.61 -2.14 -0.50 0.00 0.00 175.29 173.38 1ttv s PRO 26 N 0.63 4.15 0.91 1.67 0.02 -1.26 -2.10 135.00 139.02 1ttv s PRO 26 Ca 0.12 2.52 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 1ttv s PRO 26 Cb -0.22 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.26 1ttv s PRO 26 CO -0.05 -0.64 0.47 0.25 -0.33 0.00 0.00 177.00 176.70 1ttv n THR 27 N 3.02 0.38 -0.36 0.99 -2.24 -1.22 -4.30 114.28 110.55 1ttv n THR 27 Ca 0.11 -0.22 0.29 0.00 -2.27 0.00 0.00 64.05 61.96 1ttv n THR 27 Cb 0.37 -0.67 0.59 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.35 0.23 0.34 -0.78 0.11 -1.94 0.40 132.00 129.01 1ttv h PRO 28 Ca -0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1ttv h PRO 28 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ttv h PRO 28 CO 0.36 0.15 -0.16 1.25 -0.21 0.00 0.00 178.00 179.39 1ttv h LEU 29 N 0.24 -0.38 -1.58 2.35 5.85 -1.98 -3.09 115.31 116.71 1ttv h LEU 29 Ca 0.66 0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.60 1ttv h LEU 29 Cb 1.97 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 43.04 1ttv h LEU 29 CO -0.28 -0.00 0.59 0.25 -0.34 0.00 0.00 178.44 178.66 1ttv h LEU 30 N -1.00 0.35 0.27 2.25 5.85 -1.66 -2.03 115.31 119.32 1ttv h LEU 30 Ca -0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ttv h LEU 30 Cb 0.35 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1ttv h LEU 30 CO 0.08 0.14 -0.47 -0.07 -0.34 0.00 0.00 178.44 177.77 1ttv h LEU 31 N 0.35 -1.37 -0.87 2.25 3.38 -0.26 -2.19 115.31 116.60 1ttv h LEU 31 Ca 0.45 0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.76 1ttv h LEU 31 Cb 1.19 0.48 -0.12 0.00 0.09 0.00 0.00 40.66 42.31 1ttv h LEU 31 CO -0.15 -0.55 0.36 0.28 0.09 0.00 0.00 178.44 178.46 1ttv h SER 32 N -0.79 0.27 -0.87 -0.43 0.02 -1.28 0.60 113.55 111.06 1ttv h SER 32 Ca -0.03 0.15 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 1ttv h SER 32 Cb 0.74 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 63.35 1ttv h SER 32 CO -0.17 -0.01 0.52 -0.07 -1.14 0.00 0.00 176.83 175.97 1ttv h LEU 33 N 0.38 0.77 -0.09 5.07 3.38 -1.33 0.36 115.31 123.85 1ttv h LEU 33 Ca 0.54 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.51 1ttv h LEU 33 Cb 1.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ttv h LEU 33 CO -0.53 0.45 -0.10 -0.07 0.09 0.00 0.00 178.44 178.28 1ttv h LEU 34 N 0.88 0.24 -0.91 1.67 3.38 0.45 0.13 115.31 121.16 1ttv h LEU 34 Ca 0.41 -0.49 0.25 0.00 0.09 0.00 0.00 57.88 58.14 1ttv h LEU 34 Cb 0.34 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 1ttv h LEU 34 CO -0.23 0.68 0.34 0.11 0.09 0.00 0.00 178.44 179.43 1ttv h LYS 35 N -0.19 0.26 0.00 1.13 1.79 0.11 0.53 116.57 120.20 1ttv h LYS 35 Ca 0.01 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1ttv h LYS 35 Cb 0.62 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1ttv h LYS 35 CO 0.02 0.17 -0.93 0.77 -1.08 0.00 0.00 179.45 178.41 1ttv h SER 36 N 0.27 0.00 0.32 0.86 0.02 -0.91 -3.25 113.55 110.85 1ttv h SER 36 Ca 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1ttv h SER 36 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ttv h SER 36 CO -0.62 0.24 0.00 0.00 -1.14 0.00 0.00 176.83 175.31 1ttv n ALA 37 N -2.24 2.32 0.00 3.77 0.00 0.16 -4.80 120.51 119.72 1ttv n ALA 37 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ttv n ALA 37 Cb 0.66 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.75 1.89 3.47 0.00 0.00 -0.32 -4.75 105.19 106.24 1ttv n GLY 38 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 2.63 0.03 4.61 0.00 0.25 -4.99 121.76 122.29 1ttv s ALA 39 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.64 1ttv s ALA 39 Cb 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 1ttv s ALA 39 CO 0.00 0.58 -0.08 1.04 0.00 0.00 0.00 175.76 177.31 1ttv n GLN 40 N 1.16 0.12 -0.27 0.00 6.02 -1.26 -4.11 117.38 119.03 1ttv n GLN 40 Ca -0.16 0.05 -0.28 0.00 -0.01 0.00 0.00 57.00 56.60 1ttv n GLN 40 Cb 0.52 -0.70 0.27 0.00 1.02 0.00 0.00 30.24 31.35 1ttv n GLN 40 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1ttv n LYS 41 N -3.66 -4.47 -0.06 -1.09 0.00 -1.26 -4.98 118.16 102.65 1ttv n LYS 41 Ca -0.04 -1.33 -0.01 0.00 -0.00 0.00 0.00 58.31 56.93 1ttv n LYS 41 Cb 0.16 -1.84 -0.16 0.00 -0.00 0.00 0.00 35.03 33.19 1ttv n LYS 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ttv n GLU 42 N -5.12 0.74 -4.33 -1.58 0.28 -1.26 -4.93 120.64 104.44 1ttv n GLU 42 Ca 0.12 -0.09 -0.33 0.00 -0.16 0.00 0.00 57.16 56.71 1ttv n GLU 42 Cb 0.55 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.83 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ttv s THR 43 N -2.89 4.03 -0.02 3.84 2.01 -1.26 -4.28 115.64 117.06 1ttv s THR 43 Ca -0.09 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 1ttv s THR 43 Cb 0.09 -2.78 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1ttv s THR 43 CO 0.83 0.39 0.23 -0.36 -0.69 0.00 0.00 174.62 175.02 1ttv s PHE 44 N -1.05 -0.11 0.44 4.92 0.40 -0.53 -4.97 117.98 117.08 1ttv s PHE 44 Ca 0.19 0.18 -0.21 0.00 -0.60 0.00 0.00 56.93 56.49 1ttv s PHE 44 Cb -0.11 0.04 -0.10 0.00 0.51 0.00 0.00 43.02 43.35 1ttv s PHE 44 CO 0.09 -0.30 0.98 0.95 0.70 0.00 0.00 175.22 177.64 1ttv s THR 45 N -1.09 4.15 0.55 0.64 -4.23 -1.26 -0.50 115.64 113.90 1ttv s THR 45 Ca -0.12 1.37 0.41 0.00 -1.18 0.00 0.00 61.69 62.17 1ttv s THR 45 Cb -0.06 -3.57 0.61 0.00 1.34 0.00 0.00 72.50 70.83 1ttv s THR 45 CO 0.02 -0.26 1.74 -0.03 -0.54 0.00 0.00 174.62 175.55 1ttv h MET 46 N 1.87 0.00 0.05 3.99 4.05 -1.93 0.63 114.93 123.59 1ttv h MET 46 Ca -0.49 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.93 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 0.61 0.00 -0.03 -0.22 0.23 0.00 0.00 176.91 177.50 1ttv h LYS 47 N 0.00 -0.07 -0.07 0.39 1.63 -1.94 -0.82 116.57 115.69 1ttv h LYS 47 Ca 0.68 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.41 1ttv h LYS 47 Cb 2.71 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 34.36 1ttv h LYS 47 CO -0.01 0.15 -0.24 0.93 -3.45 0.00 0.00 179.45 176.83 1ttv h GLU 48 N -0.28 0.29 0.00 1.90 4.39 -0.40 -2.41 114.58 118.07 1ttv h GLU 48 Ca -0.01 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1ttv h GLU 48 Cb 0.25 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1ttv h GLU 48 CO 0.01 0.84 0.00 0.28 -1.16 0.00 0.00 179.01 178.98 1ttv n VAL 49 N -4.50 0.00 0.24 3.13 0.31 0.17 -0.40 118.33 117.27 1ttv n VAL 49 Ca -0.08 1.50 0.18 0.00 -0.01 0.00 0.00 64.34 65.93 1ttv n VAL 49 Cb 0.45 -2.30 0.85 0.00 -0.91 0.00 0.00 33.84 31.93 1ttv n VAL 49 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ttv h LEU 50 N 0.00 0.00 0.31 7.52 7.12 -1.29 -2.55 115.31 126.43 1ttv h LEU 50 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1ttv h LEU 50 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1ttv h LEU 50 CO 0.00 0.00 -0.15 0.22 -0.13 0.00 0.00 178.44 178.38 1ttv h TYR 51 N 0.00 -0.39 -0.90 1.25 5.03 -0.74 -3.27 116.97 117.95 1ttv h TYR 51 Ca 0.07 -0.01 0.19 0.00 2.58 0.00 0.00 58.73 61.56 1ttv h TYR 51 Cb 0.65 0.13 -0.11 0.00 1.55 0.00 0.00 36.73 38.95 1ttv h TYR 51 CO 0.00 -0.21 0.47 0.45 -1.32 0.00 0.00 178.16 177.54 1ttv h HIS 52 N -1.10 0.80 -0.69 -3.82 -0.00 -0.33 -0.77 115.15 109.25 1ttv h HIS 52 Ca -0.04 0.04 0.13 0.00 -0.00 0.00 0.00 60.37 60.50 1ttv h HIS 52 Cb 0.35 -0.22 -0.13 0.00 -0.00 0.00 0.00 27.41 27.42 1ttv h HIS 52 CO 0.01 0.11 -0.23 1.25 -0.00 0.00 0.00 177.93 179.07 1ttv h LEU 53 N 0.57 -0.82 -1.21 2.43 5.85 -1.57 1.76 115.31 122.34 1ttv h LEU 53 Ca 0.53 0.22 0.12 0.00 0.84 0.00 0.00 57.88 59.59 1ttv h LEU 53 Cb 0.87 0.49 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 1ttv h LEU 53 CO -0.43 -0.26 0.58 1.23 -0.34 0.00 0.00 178.44 179.23 1ttv h GLY 54 N -0.05 1.31 2.00 3.75 0.00 -1.18 0.18 103.07 109.08 1ttv h GLY 54 Ca 0.31 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1ttv h GLY 54 CO -0.73 0.14 -0.62 1.46 0.00 0.00 0.00 176.54 176.79 1ttv h GLN 55 N 0.81 0.00 -0.63 4.80 4.20 0.42 -3.11 115.11 121.60 1ttv h GLN 55 Ca 0.44 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.07 1ttv h GLN 55 Cb 0.57 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1ttv h GLN 55 CO -0.21 0.62 0.05 -0.92 -0.67 0.00 0.00 178.83 177.70 1ttv h TYR 56 N 0.00 1.16 0.35 2.96 3.20 0.52 -0.27 116.97 124.89 1ttv h TYR 56 Ca -0.01 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.67 1ttv h TYR 56 Cb 1.46 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.42 1ttv h TYR 56 CO 0.00 1.00 -0.17 0.82 -1.64 0.00 0.00 178.16 178.17 1ttv h ILE 57 N 0.99 0.42 -0.33 1.81 2.04 -1.22 0.83 117.51 122.04 1ttv h ILE 57 Ca 0.19 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 65.41 1ttv h ILE 57 Cb 0.50 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1ttv h ILE 57 CO 0.02 0.09 0.23 0.00 0.00 0.00 0.00 178.15 178.50 1ttv h MET 58 N -0.98 0.08 0.22 2.37 -0.00 -1.58 0.85 114.93 115.88 1ttv h MET 58 Ca -0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 1ttv h MET 58 Cb 0.51 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 1ttv h MET 58 CO 0.08 0.05 -0.10 0.00 -0.00 0.00 0.00 176.91 176.94 1ttv h ALA 59 N 1.83 -0.29 0.00 -3.00 0.00 -1.02 -3.26 119.26 113.52 1ttv h ALA 59 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ttv h ALA 59 Cb 0.51 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1ttv h ALA 59 CO -0.01 -0.29 -0.04 0.87 0.00 0.00 0.00 179.25 179.78 1ttv h LYS 60 N -1.04 0.00 -4.20 0.00 6.56 -0.53 -3.47 116.57 113.89 1ttv h LYS 60 Ca -0.03 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.51 1ttv h LYS 60 Cb 0.33 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 32.03 1ttv h LYS 60 CO 0.05 0.04 -0.18 0.94 -2.06 0.00 0.00 179.45 178.24 1ttv n GLN 61 N -3.45 -0.85 0.00 3.15 -0.06 0.29 -4.98 117.38 111.48 1ttv n GLN 61 Ca -0.02 0.76 0.07 0.00 -2.00 0.00 0.00 57.00 55.81 1ttv n GLN 61 Cb 0.16 -3.65 0.02 0.00 -4.06 0.00 0.00 30.24 22.71 1ttv n GLN 61 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ttv n LEU 62 N -1.79 1.68 -4.82 1.69 4.77 -1.06 -5.00 117.00 112.47 1ttv n LEU 62 Ca -0.01 -0.84 -0.33 0.00 -0.03 0.00 0.00 56.01 54.80 1ttv n LEU 62 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1ttv n LEU 62 CO 0.28 0.32 0.65 -0.72 -1.33 0.00 0.00 177.39 176.59 1ttv s TYR 63 N -1.53 3.31 0.32 -1.77 -0.85 -1.26 -2.45 117.35 113.12 1ttv s TYR 63 Ca 0.13 1.60 -0.26 0.00 -0.52 0.00 0.00 57.07 58.02 1ttv s TYR 63 Cb 0.11 -2.85 -0.10 0.00 0.38 0.00 0.00 41.96 39.50 1ttv s TYR 63 CO 0.29 -0.14 0.95 0.34 -1.52 0.00 0.00 175.55 175.46 1ttv s ASP 64 N -2.21 7.33 0.02 -0.18 2.15 0.51 -4.89 116.67 119.40 1ttv s ASP 64 Ca 0.62 1.84 -0.25 0.00 0.43 0.00 0.00 52.55 55.19 1ttv s ASP 64 Cb -0.09 -2.58 -0.18 0.00 -0.30 0.00 0.00 42.92 39.77 1ttv s ASP 64 CO 0.14 -0.07 1.41 -0.33 -0.17 0.00 0.00 175.17 176.15 1ttv h GLU 65 N 3.17 -0.13 -0.05 4.34 4.39 -1.96 -3.23 114.58 121.12 1ttv h GLU 65 Ca -0.47 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.27 1ttv h GLU 65 Cb 1.19 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.83 1ttv h GLU 65 CO 0.65 0.17 -0.17 0.87 -1.16 0.00 0.00 179.01 179.36 1ttv h LYS 66 N -0.42 -0.25 -4.90 2.33 1.79 -1.99 -3.40 116.57 109.73 1ttv h LYS 66 Ca -0.01 0.02 -0.63 0.00 -2.18 0.00 0.00 60.65 57.85 1ttv h LYS 66 Cb 0.35 0.06 -0.35 0.00 -1.58 0.00 0.00 32.23 30.71 1ttv h LYS 66 CO 0.02 -0.17 -0.85 1.14 -1.08 0.00 0.00 179.45 178.52 1ttv s GLN 67 N -6.12 2.57 0.29 3.15 0.00 -1.22 -5.00 119.66 113.33 1ttv s GLN 67 Ca -0.15 -0.68 0.26 0.00 -0.00 0.00 0.00 55.36 54.79 1ttv s GLN 67 Cb 0.09 -2.19 0.77 0.00 0.00 0.00 0.00 33.01 31.69 1ttv s GLN 67 CO 0.67 -0.11 1.74 1.96 0.00 0.00 0.00 175.29 179.55 1ttv h GLN 68 N 7.62 0.00 -0.23 9.60 7.50 -1.78 -3.05 115.11 134.76 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 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1ttv h GLN 68 CO 0.54 0.00 0.00 -2.39 -1.50 0.00 0.00 178.83 175.48 1ttv n HIS 69 N -2.50 0.30 -5.15 2.96 1.44 -1.26 -4.73 115.22 106.27 1ttv n HIS 69 Ca 0.04 -0.15 -0.30 0.00 -2.01 0.00 0.00 57.72 55.30 1ttv n HIS 69 Cb 0.41 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.36 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 -1.70 1.88 -0.30 0.61 -1.09 -1.16 -1.96 121.20 117.49 1ttv s ILE 70 Ca 0.21 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1ttv s ILE 70 Cb 0.11 -1.60 0.09 0.00 -1.58 0.00 0.00 42.46 39.48 1ttv s ILE 70 CO 0.15 0.53 0.05 -0.69 -1.23 0.00 0.00 174.94 173.75 1ttv s VAL 71 N -0.13 1.45 -0.34 2.92 1.01 -1.08 -0.36 120.40 123.87 1ttv s VAL 71 Ca -0.03 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1ttv s VAL 71 Cb -0.13 -2.00 0.10 0.00 0.00 0.00 0.00 36.38 34.36 1ttv s VAL 71 CO 0.03 -0.52 0.10 -1.38 0.00 0.00 0.00 175.10 173.33 1ttv s HIS 72 N 1.35 2.50 -0.29 5.22 -3.43 -1.03 -1.58 115.29 118.04 1ttv s HIS 72 Ca 0.07 -2.29 -0.00 0.00 -0.80 0.00 0.00 55.06 52.03 1ttv s HIS 72 Cb -0.18 -2.19 0.09 0.00 -1.43 0.00 0.00 32.58 28.87 1ttv s HIS 72 CO -0.15 -0.89 0.07 0.00 -2.00 0.00 0.00 174.74 171.76 1ttv h SER 74 N 8.05 0.24 -3.13 0.00 0.87 -1.92 -3.33 113.55 114.34 1ttv h SER 74 Ca -0.14 -0.04 -0.74 0.00 -1.23 0.00 0.00 61.79 59.65 1ttv h SER 74 Cb 1.04 -0.06 -0.22 0.00 -0.44 0.00 0.00 62.40 62.72 1ttv h SER 74 CO 0.45 0.21 0.32 0.21 -0.53 0.00 0.00 176.83 177.48 1ttv s ASN 75 N -5.42 6.56 -0.27 6.23 3.84 -1.26 -4.83 114.94 119.78 1ttv s ASN 75 Ca -0.13 -2.15 -0.25 0.00 0.21 0.00 0.00 52.86 50.55 1ttv s ASN 75 Cb 0.08 -2.29 0.08 0.00 -0.55 0.00 0.00 41.25 38.57 1ttv s ASN 75 CO 0.70 -0.87 0.79 -0.62 -2.79 0.00 0.00 177.10 174.30 1ttv s ASP 76 N 3.04 -0.69 0.50 -4.21 2.15 -1.25 -5.02 116.67 111.18 1ttv s ASP 76 Ca 0.20 1.32 0.25 0.00 0.43 0.00 0.00 52.55 54.75 1ttv s ASP 76 Cb -0.13 1.34 1.33 0.00 -0.30 0.00 0.00 42.92 45.16 1ttv s ASP 76 CO -0.05 -0.23 1.94 -0.65 -0.17 0.00 0.00 175.17 176.01 1ttv h PRO 77 N 4.88 0.11 -0.29 4.34 0.11 -1.93 -0.06 132.00 139.17 1ttv h PRO 77 Ca -0.29 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.72 1ttv h PRO 77 Cb 1.17 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1ttv h PRO 77 CO 0.07 0.07 -0.18 1.25 -0.21 0.00 0.00 178.00 179.00 1ttv h LEU 78 N 0.11 0.65 -1.73 2.35 5.85 -1.95 -1.95 115.31 118.65 1ttv h LEU 78 Ca 0.34 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.70 1ttv h LEU 78 Cb 1.18 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1ttv h LEU 78 CO -0.04 0.94 0.30 1.23 -0.34 0.00 0.00 178.44 180.53 1ttv h GLY 79 N 0.37 0.42 1.89 3.75 0.00 -1.21 0.89 103.07 109.19 1ttv h GLY 79 Ca 0.06 -0.13 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 1ttv h GLY 79 CO 0.05 0.10 -0.76 1.05 0.00 0.00 0.00 176.54 176.98 1ttv h GLU 80 N 0.34 0.00 0.19 4.80 4.11 -1.34 -1.43 114.58 121.25 1ttv h GLU 80 Ca 0.20 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.62 1ttv h GLU 80 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ttv h GLU 80 CO -0.05 0.64 -0.09 1.25 0.07 0.00 0.00 179.01 180.83 1ttv h LEU 81 N 0.00 -0.22 -1.35 3.06 5.85 -0.27 -3.33 115.31 119.06 1ttv h LEU 81 Ca -0.03 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1ttv h LEU 81 Cb 1.54 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 1ttv h LEU 81 CO 0.08 0.18 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.81 1ttv h PHE 82 N -0.92 0.00 -0.95 1.25 0.04 -1.07 -3.47 116.94 111.82 1ttv h PHE 82 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1ttv h PHE 82 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1ttv h PHE 82 CO 0.01 0.29 0.00 0.41 -0.60 0.00 0.00 178.31 178.41 1ttv n GLY 83 N -0.29 0.94 3.21 -1.45 0.00 -0.61 -5.08 105.19 101.91 1ttv n GLY 83 Ca -0.01 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.90 0.11 -0.10 1.61 -7.23 -0.76 -5.03 120.40 106.10 1ttv s VAL 84 Ca 0.00 -0.90 0.13 0.00 -1.81 0.00 0.00 61.98 59.40 1ttv s VAL 84 Cb 0.00 -1.06 -0.24 0.00 0.56 0.00 0.00 36.38 35.64 1ttv s VAL 84 CO 0.00 -0.50 0.45 1.67 -0.31 0.00 0.00 175.10 176.41 1ttv n GLN 85 N 0.38 0.66 -3.81 4.82 7.27 -1.26 -4.37 117.38 121.06 1ttv n GLN 85 Ca -0.17 0.20 -0.12 0.00 0.07 0.00 0.00 57.00 56.97 1ttv n GLN 85 Cb 0.60 -1.70 -0.10 0.00 2.41 0.00 0.00 30.24 31.46 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 -2.56 0.53 -0.28 3.69 -1.05 -1.26 -1.66 118.70 116.10 1ttv s GLU 86 Ca -0.08 -0.20 -0.17 0.00 -0.15 0.00 0.00 54.97 54.37 1ttv s GLU 86 Cb 0.07 0.23 0.09 0.00 -0.44 0.00 0.00 34.13 34.08 1ttv s GLU 86 CO 0.82 -0.13 0.75 -0.59 0.95 0.00 0.00 175.26 177.06 1ttv s PHE 87 N -1.13 -0.94 0.29 4.83 -0.71 -0.61 -4.98 117.98 114.73 1ttv s PHE 87 Ca -0.12 1.93 -0.27 0.00 -1.04 0.00 0.00 56.93 57.43 1ttv s PHE 87 Cb -0.06 0.54 -0.10 0.00 -1.21 0.00 0.00 43.02 42.20 1ttv s PHE 87 CO 0.02 -0.47 0.93 0.45 -1.34 0.00 0.00 175.22 174.82 1ttv s SER 88 N 1.41 7.40 -0.03 1.98 0.15 -1.26 -2.63 113.70 120.72 1ttv s SER 88 Ca -0.08 1.84 0.10 0.00 0.70 0.00 0.00 55.95 58.50 1ttv s SER 88 Cb -0.05 -2.58 0.34 0.00 -1.71 0.00 0.00 66.02 62.03 1ttv s SER 88 CO -0.16 0.00 1.23 1.33 1.20 0.00 0.00 173.24 176.84 1ttv n VAL 89 N 0.83 0.69 0.07 4.45 0.24 -0.83 -4.02 118.33 119.76 1ttv n VAL 89 Ca 0.01 -0.54 -0.08 0.00 -2.04 0.00 0.00 64.34 61.69 1ttv n VAL 89 Cb 0.49 0.10 0.05 0.00 -1.47 0.00 0.00 33.84 33.01 1ttv n VAL 89 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ttv h LYS 90 N 2.10 0.31 -4.38 7.34 3.64 -1.93 -3.36 116.57 120.29 1ttv h LYS 90 Ca 0.00 -0.25 -0.74 0.00 -1.27 0.00 0.00 60.65 58.39 1ttv h LYS 90 Cb 0.66 0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.37 1ttv h LYS 90 CO 0.06 0.90 1.65 0.39 -2.27 0.00 0.00 179.45 180.18 1ttv n GLU 91 N -3.81 3.44 0.23 1.90 -0.58 -1.26 -4.79 120.64 115.77 1ttv n GLU 91 Ca -0.04 -3.70 0.08 0.00 -0.42 0.00 0.00 57.16 53.09 1ttv n GLU 91 Cb 0.70 -3.03 0.62 0.00 -0.57 0.00 0.00 31.44 29.16 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 6.67 0.05 -0.30 -0.32 3.86 -1.91 -1.37 115.15 121.83 1ttv h HIS 92 Ca 0.35 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.50 1ttv h HIS 92 Cb 0.79 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.22 1ttv h HIS 92 CO 1.17 0.03 -0.08 -0.09 0.86 0.00 0.00 177.93 179.82 1ttv h ARG 93 N 0.05 0.49 0.04 2.45 2.43 -1.95 -1.47 114.38 116.41 1ttv h ARG 93 Ca 0.02 -0.12 -0.24 0.00 -0.81 0.00 0.00 59.98 58.83 1ttv h ARG 93 Cb 0.02 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1ttv h ARG 93 CO -0.00 0.57 -0.94 -0.09 -1.51 0.00 0.00 179.97 178.00 1ttv h ARG 94 N 0.46 0.57 -0.15 0.20 2.43 -1.67 -3.03 114.38 113.20 1ttv h ARG 94 Ca 0.09 -0.67 -0.01 0.00 -0.81 0.00 0.00 59.98 58.59 1ttv h ARG 94 Cb 0.42 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1ttv h ARG 94 CO 0.02 1.27 0.06 0.82 -1.51 0.00 0.00 179.97 180.63 1ttv h ILE 95 N 0.17 1.16 -0.72 1.20 2.04 -1.30 0.12 117.51 120.17 1ttv h ILE 95 Ca -0.13 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.32 1ttv h ILE 95 Cb 1.63 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.84 1ttv h ILE 95 CO 0.18 0.14 0.43 0.22 0.00 0.00 0.00 178.15 179.12 1ttv h TYR 96 N 0.08 0.79 0.00 1.37 5.03 -1.38 -0.02 116.97 122.84 1ttv h TYR 96 Ca 0.05 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 1ttv h TYR 96 Cb 0.17 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.20 1ttv h TYR 96 CO -0.01 0.40 -0.10 0.00 -1.32 0.00 0.00 178.16 177.13 1ttv h ALA 97 N 1.35 0.97 0.12 1.82 0.00 -1.39 -2.85 119.26 119.29 1ttv h ALA 97 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ttv h ALA 97 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ttv h ALA 97 CO -0.16 0.13 -0.06 1.98 0.00 0.00 0.00 179.25 181.13 1ttv h MET 98 N 0.00 -0.16 -0.33 0.00 1.85 0.42 -3.04 114.93 113.67 1ttv h MET 98 Ca -0.00 0.01 0.10 0.00 -0.61 0.00 0.00 59.70 59.20 1ttv h MET 98 Cb 0.79 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.84 1ttv h MET 98 CO 0.01 -0.04 0.27 -0.84 -0.40 0.00 0.00 176.91 175.91 1ttv h ILE 99 N -1.03 0.68 -0.08 1.77 -0.00 -1.15 -1.62 117.51 116.08 1ttv h ILE 99 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.83 1ttv h ILE 99 Cb 0.20 0.81 -0.00 0.00 -0.00 0.00 0.00 36.82 37.82 1ttv h ILE 99 CO 0.03 0.00 -0.01 -1.28 -0.00 0.00 0.00 178.15 176.89 1ttv h SER 100 N 0.00 0.15 0.18 2.16 0.87 -1.59 -2.71 113.55 112.61 1ttv h SER 100 Ca 0.16 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1ttv h SER 100 Cb 0.69 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1ttv h SER 100 CO -0.00 0.46 0.00 0.03 -0.53 0.00 0.00 176.83 176.79 1ttv h ARG 101 N -0.17 0.00 -1.09 2.24 3.08 -1.18 -2.09 114.38 115.18 1ttv h ARG 101 Ca 0.02 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.58 1ttv h ARG 101 Cb 0.39 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.20 1ttv h ARG 101 CO 0.01 0.00 0.63 0.09 -1.07 0.00 0.00 179.97 179.62 1ttv n ASN 102 N -2.67 5.41 -4.12 7.04 3.02 -1.02 -4.86 115.26 118.06 1ttv n ASN 102 Ca -0.02 -3.42 -0.33 0.00 -0.03 0.00 0.00 54.58 50.79 1ttv n ASN 102 Cb 0.10 -0.89 -0.16 0.00 -0.61 0.00 0.00 39.78 38.22 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 -2.90 2.39 0.00 3.41 1.43 -0.79 -3.42 118.68 118.80 1ttv s LEU 103 Ca 0.50 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1ttv s LEU 103 Cb 0.40 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1ttv s LEU 103 CO 0.04 -0.04 0.00 1.33 0.23 0.00 0.00 176.35 177.92 1ttv n VAL 104 N 4.59 0.00 -4.34 -1.59 0.24 -0.89 -4.83 118.33 111.51 1ttv n VAL 104 Ca -0.20 0.04 -0.33 0.00 -2.04 0.00 0.00 64.34 61.81 1ttv n VAL 104 Cb 0.49 -0.89 -0.09 0.00 -1.47 0.00 0.00 33.84 31.87 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 -2.31 5.13 0.36 -1.34 0.01 -1.26 -4.99 113.70 109.30 1ttv s SER 105 Ca 0.00 0.04 -0.12 0.00 1.31 0.00 0.00 55.95 57.19 1ttv s SER 105 Cb 0.00 -1.37 -0.07 0.00 0.21 0.00 0.00 66.02 64.78 1ttv s SER 105 CO 0.00 0.32 0.73 0.00 0.41 0.00 0.00 173.24 174.70 1ttv s ALA 106 N -1.00 3.37 -0.49 1.44 0.00 -1.26 -2.99 121.76 120.82 1ttv s ALA 106 Ca 0.17 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1ttv s ALA 106 Cb -0.11 -2.69 -0.06 0.00 0.00 0.00 0.00 23.12 20.26 1ttv s ALA 106 CO 0.07 0.16 2.32 1.21 0.00 0.00 0.00 175.76 179.52 1ttv s ASN 107 N -2.79 4.62 0.20 0.00 3.84 -0.54 -4.93 114.94 115.34 1ttv s ASN 107 Ca 0.52 1.04 0.08 0.00 0.21 0.00 0.00 52.86 54.70 1ttv s ASN 107 Cb -0.10 -2.51 -0.05 0.00 -0.55 0.00 0.00 41.25 38.05 1ttv s ASN 107 CO 0.26 -2.75 -0.15 0.54 -2.79 0.00 0.00 177.10 172.21 1ttv s VAL 108 N 11.52 1.76 -0.06 -5.21 0.11 -1.26 -4.71 120.40 122.56 1ttv s VAL 108 Ca 0.94 -2.20 -0.29 0.00 -2.93 0.00 0.00 61.98 57.49 1ttv s VAL 108 Cb -0.17 -2.04 -0.07 0.00 -1.53 0.00 0.00 36.38 32.57 1ttv s VAL 108 CO 0.26 -0.57 1.98 -0.54 -3.33 0.00 0.00 175.10 172.90 1ttv s LYS 109 N -3.58 3.84 -0.04 1.54 3.01 -1.26 -3.98 119.74 119.26 1ttv s LYS 109 Ca 0.22 2.34 -0.00 0.00 -1.01 0.00 0.00 55.97 57.52 1ttv s LYS 109 Cb -0.01 -4.20 0.00 0.00 -1.01 0.00 0.00 37.83 32.61 1ttv s LYS 109 CO 0.07 -1.29 0.01 -0.85 0.51 0.00 0.00 175.35 173.80 1ttv n GLU 110 N 7.85 -0.96 -4.34 1.68 0.28 -1.26 -5.00 120.64 118.90 1ttv n GLU 110 Ca 0.22 1.17 -0.24 0.00 -0.16 0.00 0.00 57.16 58.16 1ttv n GLU 110 Cb 0.43 -1.62 -0.08 0.00 1.43 0.00 0.00 31.44 31.59 1ttv n GLU 110 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1ttv s SER 111 N -0.91 4.24 -0.30 -1.84 0.15 -1.26 -5.12 113.70 108.67 1ttv s SER 111 Ca -0.01 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 55.93 1ttv s SER 111 Cb 0.00 -0.68 0.09 0.00 -1.71 0.00 0.00 66.02 63.72 1ttv s SER 111 CO 0.12 0.03 0.05 -0.44 1.20 0.00 0.00 173.24 174.21 1ttv s SER 112 N -3.43 4.18 -0.08 5.45 0.01 -1.26 -5.09 113.70 113.47 1ttv s SER 112 Ca 0.29 -1.68 -0.31 0.00 1.31 0.00 0.00 55.95 55.57 1ttv s SER 112 Cb -0.07 -1.15 -0.09 0.00 0.21 0.00 0.00 66.02 64.93 1ttv s SER 112 CO 0.18 -0.37 2.03 -1.84 0.41 0.00 0.00 173.24 173.65 1ttv n GLU 113 N 4.64 2.35 -4.28 12.44 -0.00 -1.26 -4.97 120.64 129.56 1ttv n GLU 113 Ca -0.02 0.81 -0.27 0.00 -0.00 0.00 0.00 57.16 57.68 1ttv n GLU 113 Cb 0.43 -2.95 -0.09 0.00 -0.00 0.00 0.00 31.44 28.83 1ttv n GLU 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1ttv s ASP 114 N 5.56 4.31 -0.41 -1.84 -1.08 -1.26 -5.10 116.67 116.85 1ttv s ASP 114 Ca 0.94 -0.57 -0.05 0.00 -0.52 0.00 0.00 52.55 52.35 1ttv s ASP 114 Cb -0.50 -0.75 0.10 0.00 -1.46 0.00 0.00 42.92 40.31 1ttv s ASP 114 CO 0.43 0.10 0.22 -0.63 0.52 0.00 0.00 175.17 175.80 1ttv s ILE 115 N -1.75 3.61 -0.16 4.11 1.01 -1.26 -4.90 121.20 121.87 1ttv s ILE 115 Ca 0.25 -1.79 0.15 0.00 0.00 0.00 0.00 60.65 59.27 1ttv s ILE 115 Cb -0.09 -3.35 0.43 0.00 0.01 0.00 0.00 42.46 39.46 1ttv s ILE 115 CO 0.16 -0.60 1.20 2.22 0.00 0.00 0.00 174.94 177.92 1ttv n PHE 116 N 4.72 0.19 -1.75 3.97 1.16 -1.26 -4.94 117.46 119.55 1ttv n PHE 116 Ca -0.06 -1.28 0.00 0.00 -1.87 0.00 0.00 57.45 54.24 1ttv n PHE 116 Cb 0.42 -0.23 0.00 0.00 -1.61 0.00 0.00 39.48 38.06 1ttv n PHE 116 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ttv n GLY 117 N -0.63 0.95 3.23 4.97 0.00 -1.26 -5.08 105.19 107.36 1ttv n GLY 117 Ca 0.17 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.69 2.90 0.00 1.61 -0.87 -1.26 -5.31 114.94 109.32 1ttv s ASN 118 Ca 0.00 -0.49 0.28 0.00 -1.57 0.00 0.00 52.86 51.08 1ttv s ASN 118 Cb 0.00 -0.91 1.05 0.00 -0.02 0.00 0.00 41.25 41.37 1ttv s ASN 118 CO 0.00 0.21 1.74 0.52 -2.57 0.00 0.00 177.10 177.00