#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 3.54 0.00 1.20 3.76 -1.26 -4.88 115.29 117.65 1ttv s HIS 14 Ca 0.00 -1.82 0.00 0.00 -0.15 0.00 0.00 55.06 53.09 1ttv s HIS 14 Cb 0.00 -3.73 0.00 0.00 1.11 0.00 0.00 32.58 29.96 1ttv s HIS 14 CO 0.00 -0.99 0.00 -0.89 -0.85 0.00 0.00 174.74 172.01 1ttv n ILE 15 N 4.43 0.00 0.00 0.60 -0.00 -1.26 -4.83 119.36 118.30 1ttv n ILE 15 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 1ttv n ILE 15 Cb 0.43 0.00 0.00 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 1.62 0.00 -0.04 4.38 2.88 -1.26 -0.93 113.62 120.26 1ttv n SER 16 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1ttv n SER 16 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1ttv n SER 16 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ttv n THR 17 N 0.00 0.53 -1.22 2.46 5.66 -1.26 -5.00 114.28 115.44 1ttv n THR 17 Ca 0.00 -0.55 -0.35 0.00 -3.05 0.00 0.00 64.05 60.09 1ttv n THR 17 Cb 0.00 -0.20 0.09 0.00 -1.55 0.00 0.00 70.33 68.66 1ttv n THR 17 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ttv n SER 18 N -2.36 -0.51 -1.49 1.09 2.88 -0.11 -4.69 113.62 108.44 1ttv n SER 18 Ca -0.14 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1ttv n SER 18 Cb 0.74 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1ttv n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1ttv n ASP 19 N -1.18 -8.03 -4.65 -3.46 8.00 -1.26 -4.79 116.55 101.17 1ttv n ASP 19 Ca 0.11 1.12 -0.47 0.00 0.71 0.00 0.00 54.79 56.26 1ttv n ASP 19 Cb 0.50 -4.14 -0.05 0.00 -0.02 0.00 0.00 41.12 37.41 1ttv n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ttv n GLN 20 N -0.31 1.94 0.00 -1.24 6.02 -1.26 -4.82 117.38 117.71 1ttv n GLN 20 Ca 0.00 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1ttv n GLN 20 Cb 0.00 -2.44 0.00 0.00 1.02 0.00 0.00 30.24 28.82 1ttv n GLN 20 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ttv n GLU 21 N 3.35 0.00 -2.47 -1.09 1.02 -1.26 -5.12 120.64 115.07 1ttv n GLU 21 Ca 0.17 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.98 1ttv n GLU 21 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.66 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 0.00 3.80 0.17 3.49 -0.14 -1.26 -5.07 119.74 120.73 1ttv s LYS 22 Ca 0.00 1.23 0.09 0.00 -1.36 0.00 0.00 55.97 55.93 1ttv s LYS 22 Cb 0.00 -2.10 -0.04 0.00 -1.68 0.00 0.00 37.83 34.01 1ttv s LYS 22 CO 0.00 -0.42 -0.20 -0.51 -0.76 0.00 0.00 175.35 173.46 1ttv s LEU 23 N -3.72 2.44 0.30 3.17 1.43 -1.26 -4.42 118.68 116.62 1ttv s LEU 23 Ca 0.64 -0.87 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1ttv s LEU 23 Cb -0.14 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 1ttv s LEU 23 CO 0.24 0.01 -0.00 0.68 0.23 0.00 0.00 176.35 177.50 1ttv s VAL 24 N -1.96 3.02 -0.39 -1.59 -7.23 -0.00 -3.17 120.40 109.08 1ttv s VAL 24 Ca 0.17 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.40 1ttv s VAL 24 Cb -0.06 -2.79 0.12 0.00 0.56 0.00 0.00 36.38 34.21 1ttv s VAL 24 CO 0.08 -0.30 0.16 -1.58 -0.31 0.00 0.00 175.10 173.15 1ttv s GLN 25 N -3.69 1.24 0.22 4.82 -0.44 -0.38 -2.26 119.66 119.17 1ttv s GLN 25 Ca 0.33 -1.77 -0.31 0.00 -2.50 0.00 0.00 55.36 51.12 1ttv s GLN 25 Cb -0.04 -2.53 -0.11 0.00 -1.64 0.00 0.00 33.01 28.69 1ttv s GLN 25 CO 0.20 -1.05 1.55 -2.14 0.50 0.00 0.00 175.29 174.34 1ttv s PRO 26 N 0.78 4.20 0.99 1.67 0.02 -1.26 -1.69 135.00 139.71 1ttv s PRO 26 Ca 0.14 2.41 -0.15 0.00 0.02 0.00 0.00 61.00 63.42 1ttv s PRO 26 Cb -0.21 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.20 1ttv s PRO 26 CO -0.09 -0.57 -0.01 0.25 -0.33 0.00 0.00 177.00 176.25 1ttv n THR 27 N 3.07 0.00 -0.30 0.99 -2.24 -0.72 -3.85 114.28 111.24 1ttv n THR 27 Ca 0.11 -0.26 0.34 0.00 -2.27 0.00 0.00 64.05 61.97 1ttv n THR 27 Cb 0.38 -0.46 0.73 0.00 -2.10 0.00 0.00 70.33 68.88 1ttv n THR 27 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ttv h PRO 28 N -1.50 0.00 0.24 -0.78 0.13 -1.93 0.84 132.00 129.01 1ttv h PRO 28 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1ttv h PRO 28 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ttv h PRO 28 CO 0.32 0.00 -0.12 1.25 -0.23 0.00 0.00 178.00 179.22 1ttv h LEU 29 N 0.00 -0.27 -1.85 1.56 5.85 -1.97 -2.90 115.31 115.73 1ttv h LEU 29 Ca 0.55 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.27 1ttv h LEU 29 Cb 2.34 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 43.44 1ttv h LEU 29 CO -0.01 -0.01 0.02 0.25 -0.34 0.00 0.00 178.44 178.36 1ttv h LEU 30 N -0.70 0.10 0.29 2.25 5.85 -1.61 -2.81 115.31 118.68 1ttv h LEU 30 Ca -0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1ttv h LEU 30 Cb 0.25 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1ttv h LEU 30 CO 0.05 0.11 -0.34 0.25 -0.34 0.00 0.00 178.44 178.17 1ttv h LEU 31 N 0.12 -0.93 -0.80 2.25 7.12 0.61 -2.58 115.31 121.09 1ttv h LEU 31 Ca 0.03 0.09 0.09 0.00 0.13 0.00 0.00 57.88 58.21 1ttv h LEU 31 Cb 0.05 0.32 -0.07 0.00 -0.53 0.00 0.00 40.66 40.44 1ttv h LEU 31 CO -0.00 -0.47 0.46 0.28 -0.13 0.00 0.00 178.44 178.58 1ttv h SER 32 N -0.67 0.66 -0.54 1.25 0.02 -1.28 0.14 113.55 113.12 1ttv h SER 32 Ca -0.01 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.09 1ttv h SER 32 Cb 0.63 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.99 1ttv h SER 32 CO -0.09 0.39 0.01 -0.07 -1.14 0.00 0.00 176.83 175.93 1ttv h LEU 33 N 0.78 -0.21 -0.14 5.07 3.38 -1.38 0.22 115.31 123.03 1ttv h LEU 33 Ca 0.38 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 1ttv h LEU 33 Cb 0.32 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1ttv h LEU 33 CO -0.23 -0.08 0.03 -0.07 0.09 0.00 0.00 178.44 178.18 1ttv h LEU 34 N 0.13 0.22 -1.00 1.67 3.38 -0.96 0.38 115.31 119.12 1ttv h LEU 34 Ca 0.28 -0.24 0.26 0.00 0.09 0.00 0.00 57.88 58.26 1ttv h LEU 34 Cb 0.43 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.99 1ttv h LEU 34 CO -0.45 0.41 0.59 0.11 0.09 0.00 0.00 178.44 179.19 1ttv h LYS 35 N 0.02 0.52 0.00 1.13 1.79 0.56 0.46 116.57 121.06 1ttv h LYS 35 Ca 0.04 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 1ttv h LYS 35 Cb 0.28 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1ttv h LYS 35 CO 0.00 0.34 -1.04 1.03 -1.08 0.00 0.00 179.45 178.71 1ttv h SER 36 N 0.53 0.00 0.36 0.86 0.87 -0.33 -3.31 113.55 112.53 1ttv h SER 36 Ca 0.66 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.22 1ttv h SER 36 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1ttv h SER 36 CO -0.50 0.30 0.00 0.00 -0.53 0.00 0.00 176.83 176.09 1ttv n ALA 37 N -2.27 2.17 0.00 6.23 0.00 0.13 -4.80 120.51 121.98 1ttv n ALA 37 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ttv n ALA 37 Cb 0.69 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.56 1.33 3.85 0.00 0.00 -0.64 -4.73 105.19 105.55 1ttv n GLY 38 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 3.47 -0.00 4.61 0.00 0.57 -5.00 121.76 123.40 1ttv s ALA 39 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.89 1ttv s ALA 39 Cb 0.00 -2.63 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 1ttv s ALA 39 CO 0.00 0.41 -0.02 1.04 0.00 0.00 0.00 175.76 177.18 1ttv n GLN 40 N 0.26 0.04 -0.60 0.00 1.13 -1.26 -4.23 117.38 112.71 1ttv n GLN 40 Ca -0.01 0.01 -0.22 0.00 -1.94 0.00 0.00 57.00 54.85 1ttv n GLN 40 Cb 0.52 -0.32 0.14 0.00 0.11 0.00 0.00 30.24 30.68 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 -2.73 -1.88 -0.05 -1.09 0.00 -1.26 -4.95 118.16 106.20 1ttv n LYS 41 Ca -0.01 -0.55 -0.10 0.00 -0.00 0.00 0.00 58.31 57.65 1ttv n LYS 41 Cb 0.04 -1.46 -0.15 0.00 -0.00 0.00 0.00 35.03 33.45 1ttv n LYS 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ttv n GLU 42 N -1.37 0.66 -4.98 -1.58 1.02 -1.26 -4.91 120.64 108.22 1ttv n GLU 42 Ca 0.04 0.18 -0.32 0.00 -0.02 0.00 0.00 57.16 57.03 1ttv n GLU 42 Cb 0.43 -1.68 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ttv s THR 43 N -2.55 2.83 0.05 2.62 2.01 -1.26 -4.68 115.64 114.65 1ttv s THR 43 Ca -0.08 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1ttv s THR 43 Cb 0.07 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1ttv s THR 43 CO 0.82 0.59 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.88 1ttv s PHE 44 N -0.63 0.77 0.50 4.92 0.40 -0.96 -4.96 117.98 118.02 1ttv s PHE 44 Ca 0.09 -0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 55.77 1ttv s PHE 44 Cb -0.11 -0.46 -0.08 0.00 0.51 0.00 0.00 43.02 42.88 1ttv s PHE 44 CO 0.01 -0.05 1.00 0.95 0.70 0.00 0.00 175.22 177.82 1ttv s THR 45 N -1.29 4.22 0.55 0.64 -4.23 -1.26 -0.82 115.64 113.45 1ttv s THR 45 Ca -0.08 1.20 0.46 0.00 -1.18 0.00 0.00 61.69 62.10 1ttv s THR 45 Cb -0.10 -3.57 0.69 0.00 1.34 0.00 0.00 72.50 70.86 1ttv s THR 45 CO 0.01 -0.47 1.63 -0.03 -0.54 0.00 0.00 174.62 175.21 1ttv h MET 46 N 1.21 0.01 0.11 3.99 4.05 -1.93 0.58 114.93 122.95 1ttv h MET 46 Ca -0.48 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.94 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 0.60 0.00 -0.05 -0.22 0.23 0.00 0.00 176.91 177.47 1ttv h LYS 47 N 0.01 -0.14 -0.58 0.39 1.63 -1.93 -2.19 116.57 113.75 1ttv h LYS 47 Ca 0.85 0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.58 1ttv h LYS 47 Cb 3.38 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 35.02 1ttv h LYS 47 CO -0.04 0.35 0.03 0.93 -3.45 0.00 0.00 179.45 177.27 1ttv h GLU 48 N -0.85 1.01 0.71 1.90 5.08 -0.99 -1.03 114.58 120.41 1ttv h GLU 48 Ca -0.02 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1ttv h GLU 48 Cb 0.56 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ttv h GLU 48 CO 0.02 0.99 -0.50 0.28 -1.00 0.00 0.00 179.01 178.80 1ttv h VAL 49 N 0.90 0.00 0.00 3.13 2.07 -0.11 -0.53 116.25 121.71 1ttv h VAL 49 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1ttv h VAL 49 Cb 0.52 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1ttv h VAL 49 CO 0.02 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.86 1ttv h LEU 50 N -1.15 0.00 0.15 2.57 6.46 -1.38 -1.48 115.31 120.48 1ttv h LEU 50 Ca -0.09 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1ttv h LEU 50 Cb 0.95 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1ttv h LEU 50 CO 0.06 0.00 -0.07 0.22 -0.62 0.00 0.00 178.44 178.02 1ttv h TYR 51 N 0.00 -0.19 0.00 1.25 3.20 0.04 -3.09 116.97 118.18 1ttv h TYR 51 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1ttv h TYR 51 Cb 0.01 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1ttv h TYR 51 CO 0.00 -0.04 -0.22 0.45 -1.64 0.00 0.00 178.16 176.71 1ttv h HIS 52 N -1.04 0.00 -0.64 -3.82 -0.00 -0.97 -2.58 115.15 106.10 1ttv h HIS 52 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1ttv h HIS 52 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 1ttv h HIS 52 CO 0.02 0.22 0.31 1.25 -0.00 0.00 0.00 177.93 179.74 1ttv h LEU 53 N 0.00 0.83 -1.03 2.43 5.85 -1.38 0.17 115.31 122.18 1ttv h LEU 53 Ca -0.00 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 1ttv h LEU 53 Cb 0.44 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ttv h LEU 53 CO 0.03 0.72 0.09 1.23 -0.34 0.00 0.00 178.44 180.18 1ttv h GLY 54 N 0.88 0.85 2.00 3.75 0.00 -1.38 -1.51 103.07 107.66 1ttv h GLY 54 Ca 0.22 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1ttv h GLY 54 CO -0.03 0.47 -0.15 1.46 0.00 0.00 0.00 176.54 178.29 1ttv h GLN 55 N 0.76 0.00 -0.28 4.80 4.20 -1.26 -2.97 115.11 120.36 1ttv h GLN 55 Ca 0.16 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 1ttv h GLN 55 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1ttv h GLN 55 CO 0.00 0.15 -0.27 -0.92 -0.67 0.00 0.00 178.83 177.13 1ttv h TYR 56 N 0.00 0.63 0.23 2.96 3.20 0.39 -0.72 116.97 123.67 1ttv h TYR 56 Ca -0.00 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.71 1ttv h TYR 56 Cb 0.82 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1ttv h TYR 56 CO 0.00 0.77 -0.11 0.82 -1.64 0.00 0.00 178.16 178.00 1ttv h ILE 57 N 0.49 0.72 -0.02 1.81 2.04 -1.35 0.17 117.51 121.37 1ttv h ILE 57 Ca 0.07 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1ttv h ILE 57 Cb 0.72 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1ttv h ILE 57 CO 0.06 0.17 0.01 0.00 0.00 0.00 0.00 178.15 178.38 1ttv h MET 58 N -0.85 0.00 0.13 2.37 -0.00 -1.56 0.85 114.93 115.87 1ttv h MET 58 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 1ttv h MET 58 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1ttv h MET 58 CO 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 176.91 176.90 1ttv h ALA 59 N 1.99 -0.18 0.00 -3.00 0.00 -1.09 -3.29 119.26 113.69 1ttv h ALA 59 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ttv h ALA 59 Cb 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ttv h ALA 59 CO -0.00 -0.18 -0.07 0.87 0.00 0.00 0.00 179.25 179.88 1ttv h LYS 60 N -1.03 0.00 -4.23 0.00 6.56 -0.47 -3.47 116.57 113.94 1ttv h LYS 60 Ca -0.02 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 1ttv h LYS 60 Cb 0.26 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.93 1ttv h LYS 60 CO 0.03 0.07 -0.04 0.94 -2.06 0.00 0.00 179.45 178.39 1ttv n GLN 61 N -3.81 -0.72 -0.01 3.15 -0.06 0.29 -4.99 117.38 111.23 1ttv n GLN 61 Ca -0.02 0.97 0.04 0.00 -2.00 0.00 0.00 57.00 55.98 1ttv n GLN 61 Cb 0.16 -3.71 0.04 0.00 -4.06 0.00 0.00 30.24 22.67 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 -1.48 1.71 -4.85 1.69 4.77 -1.11 -5.03 117.00 112.70 1ttv n LEU 62 Ca -0.00 -1.10 -0.32 0.00 -0.03 0.00 0.00 56.01 54.56 1ttv n LEU 62 Cb 0.51 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1ttv n LEU 62 CO 0.28 0.36 0.69 -0.72 -1.33 0.00 0.00 177.39 176.67 1ttv s TYR 63 N -0.65 3.48 0.20 -1.77 -0.85 -1.26 -2.84 117.35 113.66 1ttv s TYR 63 Ca 0.09 1.43 -0.26 0.00 -0.52 0.00 0.00 57.07 57.81 1ttv s TYR 63 Cb 0.06 -2.78 -0.08 0.00 0.38 0.00 0.00 41.96 39.54 1ttv s TYR 63 CO 0.09 -0.46 0.81 0.34 -1.52 0.00 0.00 175.55 174.82 1ttv s ASP 64 N -3.32 7.40 0.06 -0.18 2.15 0.16 -4.89 116.67 118.06 1ttv s ASP 64 Ca 0.58 1.69 -0.22 0.00 0.43 0.00 0.00 52.55 55.03 1ttv s ASP 64 Cb -0.10 -2.52 -0.14 0.00 -0.30 0.00 0.00 42.92 39.86 1ttv s ASP 64 CO 0.37 0.17 1.55 -0.33 -0.17 0.00 0.00 175.17 176.76 1ttv h GLU 65 N 4.12 0.13 -0.07 4.34 4.39 -1.96 -3.15 114.58 122.38 1ttv h GLU 65 Ca -0.47 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.22 1ttv h GLU 65 Cb 1.20 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1ttv h GLU 65 CO 0.66 0.30 -0.05 0.87 -1.16 0.00 0.00 179.01 179.64 1ttv h LYS 66 N -0.07 -0.04 -4.76 2.33 1.57 -1.99 -3.40 116.57 110.21 1ttv h LYS 66 Ca 0.03 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.21 1ttv h LYS 66 Cb 0.23 0.01 -0.35 0.00 0.08 0.00 0.00 32.23 32.20 1ttv h LYS 66 CO -0.00 -0.03 -0.84 1.14 -0.57 0.00 0.00 179.45 179.15 1ttv s GLN 67 N -6.19 2.32 0.35 3.15 0.00 -1.19 -5.00 119.66 113.11 1ttv s GLN 67 Ca -0.13 -0.59 0.25 0.00 -0.00 0.00 0.00 55.36 54.89 1ttv s GLN 67 Cb 0.08 -2.02 0.69 0.00 0.00 0.00 0.00 33.01 31.75 1ttv s GLN 67 CO 0.67 -0.13 1.72 1.96 0.00 0.00 0.00 175.29 179.52 1ttv h GLN 68 N 7.66 0.00 -0.22 9.60 7.50 -1.79 -3.06 115.11 134.80 1ttv h GLN 68 Ca -0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.81 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 0.51 0.00 0.00 -2.39 -1.50 0.00 0.00 178.83 175.45 1ttv n HIS 69 N -2.72 0.29 -5.20 2.96 1.44 -1.26 -4.74 115.22 106.00 1ttv n HIS 69 Ca 0.04 -0.14 -0.31 0.00 -2.01 0.00 0.00 57.72 55.30 1ttv n HIS 69 Cb 0.44 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.71 1.96 -0.29 0.61 -1.09 -1.17 -1.70 121.20 117.81 1ttv s ILE 70 Ca 0.22 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1ttv s ILE 70 Cb 0.12 -1.66 0.08 0.00 -1.58 0.00 0.00 42.46 39.42 1ttv s ILE 70 CO 0.16 0.54 0.03 -0.69 -1.23 0.00 0.00 174.94 173.76 1ttv s VAL 71 N -0.10 1.44 -0.34 2.92 1.01 -1.05 -0.66 120.40 123.63 1ttv s VAL 71 Ca -0.05 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.41 1ttv s VAL 71 Cb -0.14 -1.94 0.10 0.00 0.00 0.00 0.00 36.38 34.40 1ttv s VAL 71 CO 0.04 -0.44 0.10 -1.38 0.00 0.00 0.00 175.10 173.42 1ttv s HIS 72 N 1.37 2.49 -0.29 5.22 -3.43 -1.13 -1.65 115.29 117.86 1ttv s HIS 72 Ca 0.04 -2.27 -0.00 0.00 -0.80 0.00 0.00 55.06 52.02 1ttv s HIS 72 Cb -0.18 -2.18 0.09 0.00 -1.43 0.00 0.00 32.58 28.88 1ttv s HIS 72 CO -0.13 -0.89 0.07 0.00 -2.00 0.00 0.00 174.74 171.78 1ttv h SER 74 N 8.05 0.23 -3.46 0.00 0.02 -1.91 -3.33 113.55 113.15 1ttv h SER 74 Ca -0.13 -0.08 -0.77 0.00 -0.84 0.00 0.00 61.79 59.97 1ttv h SER 74 Cb 1.03 -0.06 -0.24 0.00 0.14 0.00 0.00 62.40 63.27 1ttv h SER 74 CO 0.45 0.24 0.12 0.20 -1.14 0.00 0.00 176.83 176.71 1ttv s ASN 75 N -5.46 6.60 -0.26 3.07 0.01 -1.26 -4.77 114.94 112.86 1ttv s ASN 75 Ca -0.13 -2.35 -0.25 0.00 -0.71 0.00 0.00 52.86 49.41 1ttv s ASN 75 Cb 0.08 -2.24 0.08 0.00 0.41 0.00 0.00 41.25 39.58 1ttv s ASN 75 CO 0.70 -0.72 0.79 -0.62 -1.51 0.00 0.00 177.10 175.73 1ttv s ASP 76 N 2.71 -0.68 0.65 -1.22 2.15 -1.25 -5.02 116.67 114.01 1ttv s ASP 76 Ca 0.16 1.29 0.37 0.00 0.43 0.00 0.00 52.55 54.80 1ttv s ASP 76 Cb -0.14 1.30 2.03 0.00 -0.30 0.00 0.00 42.92 45.81 1ttv s ASP 76 CO -0.06 -0.24 2.18 -0.65 -0.17 0.00 0.00 175.17 176.23 1ttv h PRO 77 N 4.74 0.00 0.04 4.34 0.11 -1.93 -1.43 132.00 137.87 1ttv h PRO 77 Ca -0.29 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 1ttv h PRO 77 Cb 1.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.28 1ttv h PRO 77 CO 0.08 0.00 -0.39 1.25 -0.21 0.00 0.00 178.00 178.73 1ttv h LEU 78 N 0.00 0.27 -1.05 2.35 5.85 -1.95 -2.60 115.31 118.18 1ttv h LEU 78 Ca 0.01 -0.88 0.01 0.00 0.84 0.00 0.00 57.88 57.87 1ttv h LEU 78 Cb 0.30 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1ttv h LEU 78 CO -0.00 1.12 0.64 1.23 -0.34 0.00 0.00 178.44 181.09 1ttv h GLY 79 N -0.54 1.36 2.00 3.75 0.00 -1.47 -0.86 103.07 107.31 1ttv h GLY 79 Ca -0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1ttv h GLY 79 CO 0.07 0.49 -0.43 1.05 0.00 0.00 0.00 176.54 177.72 1ttv h GLU 80 N 1.30 0.00 0.42 4.80 4.11 -1.51 0.24 114.58 123.95 1ttv h GLU 80 Ca 0.36 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.77 1ttv h GLU 80 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1ttv h GLU 80 CO -0.08 0.43 -0.20 1.25 0.07 0.00 0.00 179.01 180.48 1ttv h LEU 81 N 0.00 -0.48 -1.33 3.06 5.85 -0.81 -3.28 115.31 118.32 1ttv h LEU 81 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1ttv h LEU 81 Cb 0.86 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1ttv h LEU 81 CO 0.06 -0.12 -0.30 -0.26 -0.34 0.00 0.00 178.44 177.48 1ttv h PHE 82 N -1.01 0.00 0.00 1.25 0.04 -1.27 -3.47 116.94 112.48 1ttv h PHE 82 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ttv h PHE 82 Cb 0.43 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1ttv h PHE 82 CO 0.02 0.30 0.00 0.41 -0.60 0.00 0.00 178.31 178.43 1ttv n GLY 83 N -0.27 0.99 3.26 -1.45 0.00 0.70 -5.08 105.19 103.34 1ttv n GLY 83 Ca -0.01 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 0.37 -0.12 1.61 -7.23 -0.34 -5.00 120.40 107.69 1ttv s VAL 84 Ca 0.00 -1.99 0.11 0.00 -1.81 0.00 0.00 61.98 58.29 1ttv s VAL 84 Cb 0.00 -2.50 -0.15 0.00 0.56 0.00 0.00 36.38 34.29 1ttv s VAL 84 CO 0.00 -0.09 0.05 0.00 -0.31 0.00 0.00 175.10 174.75 1ttv n GLN 85 N -0.35 1.99 -3.85 4.82 1.13 -1.26 -4.33 117.38 115.53 1ttv n GLN 85 Ca -0.00 -0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.93 1ttv n GLN 85 Cb 0.66 -1.31 -0.13 0.00 0.11 0.00 0.00 30.24 29.57 1ttv n GLN 85 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1ttv s GLU 86 N -2.31 0.16 -0.28 -1.09 -1.05 -1.26 -0.91 118.70 111.96 1ttv s GLU 86 Ca -0.06 0.06 -0.19 0.00 -0.15 0.00 0.00 54.97 54.64 1ttv s GLU 86 Cb 0.04 0.07 0.09 0.00 -0.44 0.00 0.00 34.13 33.89 1ttv s GLU 86 CO 0.49 -0.02 0.75 -0.59 0.95 0.00 0.00 175.26 176.84 1ttv s PHE 87 N -0.14 -0.91 0.31 4.83 -0.71 -0.66 -4.98 117.98 115.73 1ttv s PHE 87 Ca -0.02 1.91 -0.24 0.00 -1.04 0.00 0.00 56.93 57.54 1ttv s PHE 87 Cb -0.02 0.50 -0.10 0.00 -1.21 0.00 0.00 43.02 42.19 1ttv s PHE 87 CO 0.00 -0.45 0.90 -1.12 -1.34 0.00 0.00 175.22 173.22 1ttv s SER 88 N 1.21 7.24 -0.02 1.98 0.01 -1.26 -2.51 113.70 120.34 1ttv s SER 88 Ca -0.07 1.74 0.10 0.00 1.31 0.00 0.00 55.95 59.03 1ttv s SER 88 Cb -0.05 -2.54 0.32 0.00 0.21 0.00 0.00 66.02 63.96 1ttv s SER 88 CO -0.13 -0.08 1.21 1.33 0.41 0.00 0.00 173.24 175.98 1ttv n VAL 89 N 0.47 0.63 0.07 3.43 0.24 -0.69 -3.96 118.33 118.52 1ttv n VAL 89 Ca 0.02 -0.49 -0.15 0.00 -2.04 0.00 0.00 64.34 61.67 1ttv n VAL 89 Cb 0.51 0.09 -0.07 0.00 -1.47 0.00 0.00 33.84 32.90 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 1.96 0.46 -4.37 7.34 3.64 -1.93 -3.37 116.57 120.30 1ttv h LYS 90 Ca 0.00 -0.53 -0.72 0.00 -1.27 0.00 0.00 60.65 58.13 1ttv h LYS 90 Cb 0.61 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.49 1ttv h LYS 90 CO 0.05 1.17 2.34 0.39 -2.27 0.00 0.00 179.45 181.14 1ttv n GLU 91 N -3.74 3.23 0.02 1.90 -0.58 -1.25 -4.77 120.64 115.45 1ttv n GLU 91 Ca -0.08 -3.21 0.22 0.00 -0.42 0.00 0.00 57.16 53.67 1ttv n GLU 91 Cb 0.88 -3.19 0.73 0.00 -0.57 0.00 0.00 31.44 29.29 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 6.44 0.00 -0.21 -0.32 3.86 -1.90 0.16 115.15 123.17 1ttv h HIS 92 Ca 0.45 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.55 1ttv h HIS 92 Cb 0.72 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 1ttv h HIS 92 CO 1.34 0.00 -0.36 0.07 0.86 0.00 0.00 177.93 179.84 1ttv h ARG 93 N 0.00 0.46 0.17 2.45 0.11 -1.96 -2.46 114.38 113.16 1ttv h ARG 93 Ca 0.25 -0.21 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 1ttv h ARG 93 Cb 1.14 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1ttv h ARG 93 CO -0.00 0.76 -0.08 -0.09 0.10 0.00 0.00 179.97 180.66 1ttv h ARG 94 N 0.39 -0.22 -0.03 0.08 2.43 -1.09 -2.85 114.38 113.09 1ttv h ARG 94 Ca 0.04 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1ttv h ARG 94 Cb 0.82 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.37 1ttv h ARG 94 CO 0.07 0.19 -0.25 0.82 -1.51 0.00 0.00 179.97 179.29 1ttv h ILE 95 N -0.74 0.42 -0.92 1.20 2.04 -1.53 0.49 117.51 118.47 1ttv h ILE 95 Ca -0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.04 1ttv h ILE 95 Cb 0.51 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1ttv h ILE 95 CO 0.04 0.00 0.60 0.22 0.00 0.00 0.00 178.15 179.01 1ttv h TYR 96 N -0.37 0.59 0.10 1.37 5.03 -1.53 0.13 116.97 122.29 1ttv h TYR 96 Ca 0.07 0.02 -0.27 0.00 2.58 0.00 0.00 58.73 61.13 1ttv h TYR 96 Cb 0.47 -0.18 0.01 0.00 1.55 0.00 0.00 36.73 38.58 1ttv h TYR 96 CO -0.30 0.15 -1.18 0.00 -1.32 0.00 0.00 178.16 175.51 1ttv h ALA 97 N 1.61 0.14 0.38 1.82 0.00 -0.93 -2.85 119.26 119.43 1ttv h ALA 97 Ca 0.48 -0.82 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1ttv h ALA 97 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ttv h ALA 97 CO -0.20 0.88 -0.20 0.52 0.00 0.00 0.00 179.25 180.25 1ttv h MET 98 N 0.14 -0.52 -0.86 0.00 2.86 0.26 -2.04 114.93 114.77 1ttv h MET 98 Ca -0.13 0.04 0.15 0.00 -2.06 0.00 0.00 59.70 57.69 1ttv h MET 98 Cb 1.87 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 33.58 1ttv h MET 98 CO 0.20 -0.34 0.56 -0.84 1.06 0.00 0.00 176.91 177.54 1ttv h ILE 99 N -0.54 0.81 -0.37 -1.22 -0.00 -1.40 -1.58 117.51 113.22 1ttv h ILE 99 Ca -0.05 -0.21 0.05 0.00 -0.00 0.00 0.00 64.86 64.65 1ttv h ILE 99 Cb 0.42 0.16 -0.05 0.00 -0.00 0.00 0.00 36.82 37.35 1ttv h ILE 99 CO 0.07 0.11 0.11 -1.28 -0.00 0.00 0.00 178.15 177.16 1ttv h SER 100 N 0.60 0.09 -0.11 2.16 0.87 -1.32 -0.69 113.55 115.15 1ttv h SER 100 Ca 0.43 0.05 0.03 0.00 -1.23 0.00 0.00 61.79 61.07 1ttv h SER 100 Cb 0.78 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1ttv h SER 100 CO -0.18 0.08 0.11 0.03 -0.53 0.00 0.00 176.83 176.34 1ttv h ARG 101 N 0.25 0.00 -1.44 2.24 3.08 -0.55 -2.01 114.38 115.95 1ttv h ARG 101 Ca 0.17 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.62 1ttv h ARG 101 Cb 0.18 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.99 1ttv h ARG 101 CO -0.20 0.00 0.76 0.09 -1.07 0.00 0.00 179.97 179.55 1ttv n ASN 102 N -3.94 7.27 -3.91 7.04 3.02 -0.27 -4.86 115.26 119.62 1ttv n ASN 102 Ca -0.00 -3.58 -0.29 0.00 -0.03 0.00 0.00 54.58 50.68 1ttv n ASN 102 Cb 0.22 -1.05 -0.16 0.00 -0.61 0.00 0.00 39.78 38.18 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 -3.26 1.91 0.04 3.41 1.43 -0.76 -1.75 118.68 119.69 1ttv s LEU 103 Ca 0.54 -0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 52.55 1ttv s LEU 103 Cb 0.42 -1.00 -0.17 0.00 0.03 0.00 0.00 46.19 45.47 1ttv s LEU 103 CO -0.12 -0.20 1.45 -0.37 0.23 0.00 0.00 176.35 177.33 1ttv h VAL 104 N 6.46 0.76 -3.35 -1.59 -1.51 -1.65 -3.39 116.25 111.99 1ttv h VAL 104 Ca -0.23 -0.38 -0.72 0.00 -1.23 0.00 0.00 66.70 64.15 1ttv h VAL 104 Cb 1.10 0.98 -0.31 0.00 -2.13 0.00 0.00 31.29 30.93 1ttv h VAL 104 CO 0.41 0.08 -0.43 -0.55 -1.23 0.00 0.00 177.57 175.85 1ttv s SER 105 N -5.02 5.60 -0.37 4.19 0.15 -1.25 -5.00 113.70 111.99 1ttv s SER 105 Ca -0.15 -1.92 -0.04 0.00 0.70 0.00 0.00 55.95 54.54 1ttv s SER 105 Cb 0.03 -1.97 0.08 0.00 -1.71 0.00 0.00 66.02 62.45 1ttv s SER 105 CO 0.60 -0.65 0.15 0.00 1.20 0.00 0.00 173.24 174.54 1ttv s ALA 106 N 1.32 3.08 -0.63 5.45 0.00 -1.26 -1.25 121.76 128.47 1ttv s ALA 106 Ca 0.06 -2.15 -0.22 0.00 0.00 0.00 0.00 51.96 49.65 1ttv s ALA 106 Cb -0.25 -2.32 0.07 0.00 0.00 0.00 0.00 23.12 20.62 1ttv s ALA 106 CO -0.01 -1.57 0.89 -0.80 0.00 0.00 0.00 175.76 174.27 1ttv s ASN 107 N 1.68 6.19 0.21 0.00 -0.87 -1.19 -5.01 114.94 115.94 1ttv s ASN 107 Ca 0.02 -1.03 0.08 0.00 -1.57 0.00 0.00 52.86 50.36 1ttv s ASN 107 Cb -0.22 -2.39 -0.05 0.00 -0.02 0.00 0.00 41.25 38.58 1ttv s ASN 107 CO -0.01 -1.33 -0.15 0.54 -2.57 0.00 0.00 177.10 173.58 1ttv s VAL 108 N 3.70 1.78 -0.04 1.60 0.11 -1.26 -4.48 120.40 121.81 1ttv s VAL 108 Ca 0.20 -2.20 -0.30 0.00 -2.93 0.00 0.00 61.98 56.75 1ttv s VAL 108 Cb -0.18 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 1ttv s VAL 108 CO 0.10 -0.57 1.33 -0.54 -3.33 0.00 0.00 175.10 172.09 1ttv s LYS 109 N -3.57 4.30 -0.24 1.54 1.02 -1.26 -5.00 119.74 116.53 1ttv s LYS 109 Ca 0.22 1.84 -0.03 0.00 0.02 0.00 0.00 55.97 58.03 1ttv s LYS 109 Cb -0.01 -3.60 0.11 0.00 -0.52 0.00 0.00 37.83 33.80 1ttv s LYS 109 CO 0.07 -0.55 0.23 -1.83 -0.92 0.00 0.00 175.35 172.35 1ttv s GLU 110 N 2.51 0.23 0.31 1.68 4.04 -1.26 -5.14 118.70 121.08 1ttv s GLU 110 Ca 0.61 0.03 -0.28 0.00 0.04 0.00 0.00 54.97 55.37 1ttv s GLU 110 Cb -0.28 -1.05 -0.09 0.00 0.02 0.00 0.00 34.13 32.73 1ttv s GLU 110 CO 0.24 -0.80 1.06 -1.54 -1.84 0.00 0.00 175.26 172.38 1ttv s SER 111 N 2.31 7.15 -0.27 0.83 1.04 -1.26 -5.00 113.70 118.50 1ttv s SER 111 Ca 0.08 2.15 -0.27 0.00 0.48 0.00 0.00 55.95 58.39 1ttv s SER 111 Cb -0.15 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.36 1ttv s SER 111 CO -0.21 -0.22 0.96 -0.94 0.98 0.00 0.00 173.24 173.82 1ttv s SER 112 N -1.15 6.93 -0.18 7.02 1.04 -1.26 -5.03 113.70 121.07 1ttv s SER 112 Ca 0.48 1.10 -0.05 0.00 0.48 0.00 0.00 55.95 57.97 1ttv s SER 112 Cb -0.28 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.32 1ttv s SER 112 CO 0.35 -0.68 -0.01 -1.83 0.98 0.00 0.00 173.24 172.05 1ttv s GLU 113 N 3.20 3.69 -0.07 4.02 4.04 -1.26 -5.10 118.70 127.21 1ttv s GLU 113 Ca 0.40 -0.50 0.02 0.00 0.04 0.00 0.00 54.97 54.94 1ttv s GLU 113 Cb -0.14 -3.02 -0.02 0.00 0.02 0.00 0.00 34.13 30.97 1ttv s GLU 113 CO 0.10 0.15 -0.14 -0.51 -1.84 0.00 0.00 175.26 173.02 1ttv s ASP 114 N 0.63 4.04 -0.41 0.83 1.01 -1.26 -5.09 116.67 116.42 1ttv s ASP 114 Ca -0.01 -0.23 -0.05 0.00 0.71 0.00 0.00 52.55 52.97 1ttv s ASP 114 Cb -0.14 -1.07 0.10 0.00 1.01 0.00 0.00 42.92 42.82 1ttv s ASP 114 CO 0.02 0.30 0.22 -0.63 0.21 0.00 0.00 175.17 175.28 1ttv s ILE 115 N -0.43 3.61 -0.36 0.77 1.01 -1.26 -4.92 121.20 119.62 1ttv s ILE 115 Ca 0.05 -1.79 0.07 0.00 0.00 0.00 0.00 60.65 58.98 1ttv s ILE 115 Cb -0.12 -3.35 0.55 0.00 0.01 0.00 0.00 42.46 39.55 1ttv s ILE 115 CO 0.02 -0.60 1.62 0.49 0.00 0.00 0.00 174.94 176.47 1ttv n PHE 116 N 4.72 1.85 -2.78 3.97 3.72 -1.26 -4.90 117.46 122.78 1ttv n PHE 116 Ca -0.06 -1.78 -0.12 0.00 -0.05 0.00 0.00 57.45 55.44 1ttv n PHE 116 Cb 0.42 -0.67 0.03 0.00 -0.94 0.00 0.00 39.48 38.31 1ttv n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ttv n GLY 117 N -1.11 0.11 3.62 1.37 0.00 -1.26 -4.99 105.19 102.93 1ttv n GLY 117 Ca 0.43 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.95 6.63 0.00 1.61 0.01 -1.26 -5.33 114.94 113.64 1ttv s ASN 118 Ca 0.20 0.73 0.07 0.00 -0.71 0.00 0.00 52.86 53.16 1ttv s ASN 118 Cb -0.09 -2.36 0.06 0.00 0.41 0.00 0.00 41.25 39.26 1ttv s ASN 118 CO 0.25 -0.44 0.73 1.33 -1.51 0.00 0.00 177.10 177.46