#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 3.52 0.14 3.10 3.76 -1.26 -5.09 115.29 119.47 1ttv s HIS 14 Ca 0.00 1.24 0.01 0.00 -0.15 0.00 0.00 55.06 56.16 1ttv s HIS 14 Cb 0.00 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1ttv s HIS 14 CO 0.00 0.26 -0.00 0.42 -0.85 0.00 0.00 174.74 174.56 1ttv s ILE 15 N -1.71 0.56 -0.51 0.60 1.09 -1.26 -5.10 121.20 114.87 1ttv s ILE 15 Ca 0.47 -1.95 0.03 0.00 -1.10 0.00 0.00 60.65 58.10 1ttv s ILE 15 Cb -0.14 -1.98 0.15 0.00 -1.06 0.00 0.00 42.46 39.43 1ttv s ILE 15 CO 0.19 -0.58 0.32 -0.44 -0.10 0.00 0.00 174.94 174.33 1ttv s SER 16 N -3.11 3.64 0.00 3.58 0.01 -1.26 -4.98 113.70 111.58 1ttv s SER 16 Ca 0.21 -3.05 0.00 0.00 1.31 0.00 0.00 55.95 54.42 1ttv s SER 16 Cb 0.06 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.15 1ttv s SER 16 CO 0.01 -0.20 0.00 0.41 0.41 0.00 0.00 173.24 173.87 1ttv n THR 17 N 2.99 0.00 -3.85 1.44 -1.04 -1.26 -4.56 114.28 107.99 1ttv n THR 17 Ca 0.15 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.80 1ttv n THR 17 Cb 0.37 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.74 1ttv n THR 17 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ttv s SER 18 N -0.90 4.83 0.52 8.00 0.01 -1.26 -4.97 113.70 119.93 1ttv s SER 18 Ca 0.00 -0.93 0.18 0.00 1.31 0.00 0.00 55.95 56.51 1ttv s SER 18 Cb 0.00 -1.77 1.29 0.00 0.21 0.00 0.00 66.02 65.75 1ttv s SER 18 CO 0.00 -0.20 2.11 -2.24 0.41 0.00 0.00 173.24 173.32 1ttv h ASP 19 N 8.11 0.01 -3.34 2.44 2.03 -1.97 -3.41 116.42 120.29 1ttv h ASP 19 Ca -0.29 -0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.46 1ttv h ASP 19 Cb 1.10 -0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.56 1ttv h ASP 19 CO 0.58 0.00 0.04 -1.10 -1.03 0.00 0.00 179.24 177.74 1ttv s GLN 20 N -5.06 4.34 0.37 4.15 -0.21 -1.26 -5.00 119.66 116.99 1ttv s GLN 20 Ca -0.05 0.89 0.04 0.00 0.02 0.00 0.00 55.36 56.26 1ttv s GLN 20 Cb 0.18 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 1ttv s GLN 20 CO 0.68 0.58 0.15 -1.21 -2.12 0.00 0.00 175.29 173.38 1ttv s GLU 21 N -1.01 1.82 -0.14 2.91 2.02 -1.26 -4.79 118.70 118.25 1ttv s GLU 21 Ca 0.32 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 53.23 1ttv s GLU 21 Cb -0.21 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.64 1ttv s GLU 21 CO 0.21 -0.48 0.00 1.63 0.02 0.00 0.00 175.26 176.64 1ttv n LYS 22 N -0.79 -1.27 -0.96 1.61 4.76 -1.26 -4.97 118.16 115.29 1ttv n LYS 22 Ca -0.02 0.39 -0.28 0.00 -2.87 0.00 0.00 58.31 55.52 1ttv n LYS 22 Cb 0.65 -4.38 0.21 0.00 -1.84 0.00 0.00 35.03 29.67 1ttv n LYS 22 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ttv s LEU 23 N -0.30 1.18 0.31 -0.35 1.02 -1.26 -4.60 118.68 114.68 1ttv s LEU 23 Ca 0.00 1.22 0.11 0.00 0.02 0.00 0.00 54.13 55.48 1ttv s LEU 23 Cb 0.00 -3.26 -0.06 0.00 0.02 0.00 0.00 46.19 42.90 1ttv s LEU 23 CO 0.00 -3.61 -0.14 0.68 0.02 0.00 0.00 176.35 173.30 1ttv s VAL 24 N -2.80 2.44 -0.39 -1.59 -7.23 0.14 -3.14 120.40 107.82 1ttv s VAL 24 Ca 0.67 -2.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1ttv s VAL 24 Cb -0.20 -2.49 0.12 0.00 0.56 0.00 0.00 36.38 34.36 1ttv s VAL 24 CO 0.60 -0.31 0.16 -1.58 -0.31 0.00 0.00 175.10 173.66 1ttv s GLN 25 N -3.57 1.30 0.44 4.82 2.00 0.88 -1.16 119.66 124.38 1ttv s GLN 25 Ca 0.31 -1.83 -0.25 0.00 -2.00 0.00 0.00 55.36 51.58 1ttv s GLN 25 Cb -0.02 -2.64 -0.08 0.00 0.80 0.00 0.00 33.01 31.07 1ttv s GLN 25 CO 0.16 -1.05 1.42 -2.14 -0.50 0.00 0.00 175.29 173.18 1ttv s PRO 26 N 0.72 3.73 0.99 1.67 0.02 -1.26 -1.26 135.00 139.60 1ttv s PRO 26 Ca 0.14 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.44 1ttv s PRO 26 Cb -0.21 -2.68 0.17 0.00 0.02 0.00 0.00 34.50 31.80 1ttv s PRO 26 CO -0.09 -0.77 1.02 0.25 -0.33 0.00 0.00 177.00 177.08 1ttv n THR 27 N -0.14 0.00 -0.28 0.99 -2.24 -1.10 -4.32 114.28 107.19 1ttv n THR 27 Ca 0.05 -0.13 0.34 0.00 -2.27 0.00 0.00 64.05 62.04 1ttv n THR 27 Cb 0.42 -0.95 0.71 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.06 0.00 0.17 -0.78 0.13 -1.94 0.42 132.00 127.94 1ttv h PRO 28 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1ttv h PRO 28 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ttv h PRO 28 CO 0.42 0.00 -0.08 1.25 -0.23 0.00 0.00 178.00 179.36 1ttv h LEU 29 N 0.00 -0.19 -1.89 1.56 5.85 -1.97 -3.10 115.31 115.56 1ttv h LEU 29 Ca 0.53 0.01 0.13 0.00 0.84 0.00 0.00 57.88 59.39 1ttv h LEU 29 Cb 2.36 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 43.41 1ttv h LEU 29 CO -0.01 0.05 0.37 0.25 -0.34 0.00 0.00 178.44 178.77 1ttv h LEU 30 N -0.61 0.11 0.21 2.25 5.85 -1.63 -2.69 115.31 118.80 1ttv h LEU 30 Ca -0.02 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ttv h LEU 30 Cb 0.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1ttv h LEU 30 CO 0.04 0.06 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.87 1ttv h LEU 31 N 0.12 -0.72 -1.00 2.25 3.38 -0.27 -2.43 115.31 116.63 1ttv h LEU 31 Ca 0.25 0.06 0.27 0.00 0.09 0.00 0.00 57.88 58.55 1ttv h LEU 31 Cb 0.83 0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.69 1ttv h LEU 31 CO -0.03 -0.32 0.59 0.77 0.09 0.00 0.00 178.44 179.53 1ttv h SER 32 N -0.48 0.63 -0.86 -0.43 4.64 -1.40 0.47 113.55 116.12 1ttv h SER 32 Ca -0.03 0.15 0.10 0.00 -0.47 0.00 0.00 61.79 61.54 1ttv h SER 32 Cb 0.43 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 62.51 1ttv h SER 32 CO -0.06 0.03 0.51 -0.07 -0.87 0.00 0.00 176.83 176.36 1ttv h LEU 33 N 0.50 0.74 -0.17 5.97 3.38 -1.36 0.67 115.31 125.03 1ttv h LEU 33 Ca 0.68 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.51 1ttv h LEU 33 Cb 1.37 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1ttv h LEU 33 CO -0.52 0.42 -0.60 -0.07 0.09 0.00 0.00 178.44 177.76 1ttv h LEU 34 N 0.85 0.83 -0.76 1.67 3.38 0.21 -0.21 115.31 121.28 1ttv h LEU 34 Ca 0.41 -0.60 0.16 0.00 0.09 0.00 0.00 57.88 57.94 1ttv h LEU 34 Cb 0.36 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 1ttv h LEU 34 CO -0.24 1.29 0.26 0.11 0.09 0.00 0.00 178.44 179.95 1ttv h LYS 35 N 0.42 0.36 0.00 1.13 1.79 0.58 1.00 116.57 121.85 1ttv h LYS 35 Ca -0.03 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.35 1ttv h LYS 35 Cb 1.23 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.79 1ttv h LYS 35 CO 0.13 0.24 -0.71 1.03 -1.08 0.00 0.00 179.45 179.05 1ttv h SER 36 N 0.37 0.00 0.11 0.86 0.87 -0.90 -3.26 113.55 111.59 1ttv h SER 36 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1ttv h SER 36 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1ttv h SER 36 CO -0.46 0.30 0.00 0.00 -0.53 0.00 0.00 176.83 176.14 1ttv n ALA 37 N -2.23 2.52 0.00 6.23 0.00 0.16 -4.81 120.51 122.39 1ttv n ALA 37 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ttv n ALA 37 Cb 0.67 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.84 1.42 3.90 0.00 0.00 -0.53 -4.81 105.19 106.01 1ttv n GLY 38 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 3.90 0.00 4.61 0.00 0.32 -4.98 121.76 123.61 1ttv s ALA 39 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1ttv s ALA 39 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1ttv s ALA 39 CO 0.00 0.72 0.00 1.04 0.00 0.00 0.00 175.76 177.52 1ttv n GLN 40 N 0.65 0.00 -0.62 0.00 1.13 -1.26 -3.97 117.38 113.31 1ttv n GLN 40 Ca -0.08 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.75 1ttv n GLN 40 Cb 0.52 -0.13 0.14 0.00 0.11 0.00 0.00 30.24 30.88 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 -2.47 -1.80 -0.03 -1.09 0.00 -1.26 -4.94 118.16 106.57 1ttv n LYS 41 Ca 0.00 -0.53 -0.07 0.00 -0.00 0.00 0.00 58.31 57.72 1ttv n LYS 41 Cb 0.00 -1.46 -0.13 0.00 -0.00 0.00 0.00 35.03 33.43 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 -1.29 0.64 -4.15 -1.58 0.00 -1.26 -4.93 120.64 108.07 1ttv n GLU 42 Ca 0.03 0.20 -0.29 0.00 0.00 0.00 0.00 57.16 57.11 1ttv n GLU 42 Cb 0.44 -1.73 -0.08 0.00 0.00 0.00 0.00 31.44 30.08 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1ttv s THR 43 N -2.66 3.92 -0.03 3.84 2.01 -1.26 -4.48 115.64 116.97 1ttv s THR 43 Ca -0.06 -1.14 -0.15 0.00 0.31 0.00 0.00 61.69 60.65 1ttv s THR 43 Cb 0.08 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.71 1ttv s THR 43 CO 0.83 0.03 0.34 -0.36 -0.69 0.00 0.00 174.62 174.77 1ttv s PHE 44 N -1.46 -0.23 0.48 4.92 0.40 -0.31 -4.99 117.98 116.79 1ttv s PHE 44 Ca 0.26 0.40 -0.19 0.00 -0.60 0.00 0.00 56.93 56.81 1ttv s PHE 44 Cb -0.11 0.12 -0.09 0.00 0.51 0.00 0.00 43.02 43.45 1ttv s PHE 44 CO 0.18 -0.38 0.99 0.95 0.70 0.00 0.00 175.22 177.67 1ttv s THR 45 N -1.13 4.22 0.55 0.64 -4.23 -1.26 0.23 115.64 114.67 1ttv s THR 45 Ca -0.12 1.26 0.43 0.00 -1.18 0.00 0.00 61.69 62.08 1ttv s THR 45 Cb -0.05 -3.57 0.64 0.00 1.34 0.00 0.00 72.50 70.86 1ttv s THR 45 CO 0.04 -0.42 1.68 -0.03 -0.54 0.00 0.00 174.62 175.35 1ttv h MET 46 N 1.40 0.00 0.15 3.99 4.05 -1.91 0.40 114.93 123.00 1ttv h MET 46 Ca -0.48 0.00 -0.01 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 0.60 0.00 -0.07 -0.22 0.23 0.00 0.00 176.91 177.45 1ttv h LYS 47 N 0.00 -0.19 -0.38 0.39 1.63 -1.98 -2.29 116.57 113.76 1ttv h LYS 47 Ca 0.74 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.52 1ttv h LYS 47 Cb 3.00 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 34.66 1ttv h LYS 47 CO -0.01 0.26 0.13 0.93 -3.45 0.00 0.00 179.45 177.31 1ttv h GLU 48 N -0.84 0.58 0.30 1.90 5.08 -1.10 -1.13 114.58 119.37 1ttv h GLU 48 Ca -0.02 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1ttv h GLU 48 Cb 0.53 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1ttv h GLU 48 CO 0.03 0.58 -0.50 0.28 -1.00 0.00 0.00 179.01 178.40 1ttv h VAL 49 N 0.46 0.04 0.00 3.13 2.07 -0.46 0.99 116.25 122.48 1ttv h VAL 49 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1ttv h VAL 49 Cb 0.23 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1ttv h VAL 49 CO -0.01 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.83 1ttv h LEU 50 N -0.85 0.00 0.04 2.57 6.46 -1.37 -0.95 115.31 121.20 1ttv h LEU 50 Ca -0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.73 1ttv h LEU 50 Cb 0.80 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.73 1ttv h LEU 50 CO -0.17 0.00 -0.02 0.22 -0.62 0.00 0.00 178.44 177.84 1ttv h TYR 51 N 0.00 -0.06 -0.12 1.25 3.20 0.43 -2.98 116.97 118.69 1ttv h TYR 51 Ca 0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1ttv h TYR 51 Cb 0.03 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 1ttv h TYR 51 CO 0.00 0.37 -0.38 0.45 -1.64 0.00 0.00 178.16 176.96 1ttv h HIS 52 N -0.98 0.30 -0.62 -3.82 3.86 -0.80 -2.85 115.15 110.24 1ttv h HIS 52 Ca -0.01 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1ttv h HIS 52 Cb 0.45 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1ttv h HIS 52 CO 0.11 0.60 0.30 1.25 0.86 0.00 0.00 177.93 181.05 1ttv h LEU 53 N 0.22 0.80 -1.11 2.43 5.85 -1.31 0.30 115.31 122.49 1ttv h LEU 53 Ca 0.02 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1ttv h LEU 53 Cb 0.77 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1ttv h LEU 53 CO 0.06 0.70 0.17 1.23 -0.34 0.00 0.00 178.44 180.26 1ttv h GLY 54 N 0.84 0.86 2.00 3.75 0.00 -1.35 -1.63 103.07 107.54 1ttv h GLY 54 Ca 0.21 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 1ttv h GLY 54 CO -0.03 0.44 -0.51 1.46 0.00 0.00 0.00 176.54 177.90 1ttv h GLN 55 N 0.79 0.00 -0.23 4.80 4.20 -1.18 -3.00 115.11 120.48 1ttv h GLN 55 Ca 0.18 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 1ttv h GLN 55 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1ttv h GLN 55 CO -0.01 0.51 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.73 1ttv h TYR 56 N 0.00 0.35 0.10 2.96 5.03 0.56 -0.65 116.97 125.31 1ttv h TYR 56 Ca -0.01 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 1ttv h TYR 56 Cb 1.12 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.29 1ttv h TYR 56 CO 0.00 0.36 -0.05 0.82 -1.32 0.00 0.00 178.16 177.98 1ttv h ILE 57 N 0.34 0.98 -0.80 1.81 2.04 -1.36 -2.44 117.51 118.07 1ttv h ILE 57 Ca 0.08 -1.36 0.05 0.00 1.00 0.00 0.00 64.86 64.62 1ttv h ILE 57 Cb 0.24 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1ttv h ILE 57 CO 0.01 0.28 0.50 0.00 0.00 0.00 0.00 178.15 178.93 1ttv h MET 58 N -0.88 0.90 0.76 2.37 -0.00 -1.47 0.83 114.93 117.44 1ttv h MET 58 Ca -0.01 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.70 59.60 1ttv h MET 58 Cb 0.56 -0.20 0.01 0.00 -0.00 0.00 0.00 31.60 31.96 1ttv h MET 58 CO 0.02 0.60 -0.36 0.00 -0.00 0.00 0.00 176.91 177.17 1ttv h ALA 59 N 1.37 -1.02 0.00 -3.00 0.00 -1.22 -2.87 119.26 112.53 1ttv h ALA 59 Ca 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ttv h ALA 59 Cb 0.12 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ttv h ALA 59 CO -0.15 -0.99 -0.09 0.87 0.00 0.00 0.00 179.25 178.88 1ttv h LYS 60 N -1.17 0.00 -4.23 0.00 6.56 -1.29 -3.47 116.57 112.98 1ttv h LYS 60 Ca -0.10 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.40 1ttv h LYS 60 Cb 0.80 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 32.53 1ttv h LYS 60 CO 0.17 0.09 -0.30 0.94 -2.06 0.00 0.00 179.45 178.29 1ttv n GLN 61 N -3.67 -0.99 0.00 3.15 -0.06 0.29 -4.97 117.38 111.13 1ttv n GLN 61 Ca -0.02 0.61 0.12 0.00 -2.00 0.00 0.00 57.00 55.71 1ttv n GLN 61 Cb 0.20 -3.68 0.07 0.00 -4.06 0.00 0.00 30.24 22.77 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 -2.07 2.21 -4.85 1.69 4.77 -0.95 -4.96 117.00 112.84 1ttv n LEU 62 Ca -0.02 -0.78 -0.32 0.00 -0.03 0.00 0.00 56.01 54.86 1ttv n LEU 62 Cb 0.54 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1ttv n LEU 62 CO 0.29 0.40 0.70 -0.72 -1.33 0.00 0.00 177.39 176.72 1ttv s TYR 63 N -2.33 3.50 0.16 -1.77 -0.85 -1.26 -2.74 117.35 112.06 1ttv s TYR 63 Ca 0.22 1.40 -0.15 0.00 -0.52 0.00 0.00 57.07 58.02 1ttv s TYR 63 Cb 0.19 -2.77 -0.07 0.00 0.38 0.00 0.00 41.96 39.68 1ttv s TYR 63 CO 0.49 -0.53 0.57 0.34 -1.52 0.00 0.00 175.55 174.90 1ttv s ASP 64 N -3.50 6.85 0.04 -0.18 2.15 0.66 -4.89 116.67 117.80 1ttv s ASP 64 Ca 0.58 1.12 -0.25 0.00 0.43 0.00 0.00 52.55 54.42 1ttv s ASP 64 Cb -0.11 -2.30 -0.17 0.00 -0.30 0.00 0.00 42.92 40.04 1ttv s ASP 64 CO 0.41 0.09 1.52 -0.33 -0.17 0.00 0.00 175.17 176.68 1ttv h GLU 65 N 3.50 -0.16 0.16 4.34 4.39 -1.97 -3.27 114.58 121.58 1ttv h GLU 65 Ca -0.48 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1ttv h GLU 65 Cb 1.19 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1ttv h GLU 65 CO 0.66 0.06 -0.31 0.87 -1.16 0.00 0.00 179.01 179.13 1ttv h LYS 66 N -0.35 -0.49 -5.02 2.33 6.56 -1.99 -3.39 116.57 114.23 1ttv h LYS 66 Ca -0.02 0.03 -0.63 0.00 -1.06 0.00 0.00 60.65 58.98 1ttv h LYS 66 Cb 0.28 0.11 -0.17 0.00 -0.57 0.00 0.00 32.23 31.89 1ttv h LYS 66 CO 0.03 -0.33 -0.53 -0.65 -2.06 0.00 0.00 179.45 175.91 1ttv s GLN 67 N -4.64 3.96 0.00 3.15 -1.52 -1.23 -4.96 119.66 114.42 1ttv s GLN 67 Ca -0.10 -0.33 0.32 0.00 -1.95 0.00 0.00 55.36 53.30 1ttv s GLN 67 Cb 0.03 -3.52 1.82 0.00 -0.22 0.00 0.00 33.01 31.13 1ttv s GLN 67 CO 0.35 -0.04 2.19 1.04 -0.25 0.00 0.00 175.29 178.58 1ttv n GLN 68 N 4.58 0.94 -0.14 2.91 3.00 -1.25 -3.01 117.38 124.41 1ttv n GLN 68 Ca -0.15 -0.03 0.05 0.00 -0.01 0.00 0.00 57.00 56.86 1ttv n GLN 68 Cb 0.52 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 29.38 1ttv n GLN 68 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1ttv n HIS 69 N -1.00 0.31 -4.77 1.08 1.44 -1.26 -4.88 115.22 106.14 1ttv n HIS 69 Ca 0.22 -0.65 -0.33 0.00 -2.01 0.00 0.00 57.72 54.95 1ttv n HIS 69 Cb 0.14 -0.10 -0.13 0.00 0.12 0.00 0.00 29.99 30.01 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 -1.63 3.23 -0.32 0.61 -1.09 -1.16 -2.05 121.20 118.79 1ttv s ILE 70 Ca 0.20 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 58.00 1ttv s ILE 70 Cb 0.14 -2.32 0.10 0.00 -1.58 0.00 0.00 42.46 38.80 1ttv s ILE 70 CO 0.07 0.56 0.07 -0.69 -1.23 0.00 0.00 174.94 173.73 1ttv s VAL 71 N -0.28 1.40 -0.35 2.92 1.01 -1.08 -0.25 120.40 123.77 1ttv s VAL 71 Ca 0.03 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.30 1ttv s VAL 71 Cb -0.13 -2.03 0.10 0.00 0.00 0.00 0.00 36.38 34.32 1ttv s VAL 71 CO 0.03 -0.62 0.09 -1.38 0.00 0.00 0.00 175.10 173.22 1ttv s HIS 72 N 1.35 2.80 -0.28 5.22 -3.43 -1.11 -0.98 115.29 118.86 1ttv s HIS 72 Ca 0.10 -2.48 -0.01 0.00 -0.80 0.00 0.00 55.06 51.87 1ttv s HIS 72 Cb -0.18 -2.37 0.09 0.00 -1.43 0.00 0.00 32.58 28.69 1ttv s HIS 72 CO -0.18 -0.90 0.07 0.00 -2.00 0.00 0.00 174.74 171.73 1ttv h SER 74 N 8.06 0.23 -3.51 0.00 0.02 -1.93 -3.33 113.55 113.10 1ttv h SER 74 Ca -0.14 -0.04 -0.77 0.00 -0.84 0.00 0.00 61.79 60.00 1ttv h SER 74 Cb 1.04 -0.06 -0.25 0.00 0.14 0.00 0.00 62.40 63.27 1ttv h SER 74 CO 0.45 0.20 0.09 0.20 -1.14 0.00 0.00 176.83 176.63 1ttv s ASN 75 N -5.42 6.60 -0.28 3.07 0.02 -1.26 -4.80 114.94 112.88 1ttv s ASN 75 Ca -0.13 -2.38 -0.22 0.00 -1.02 0.00 0.00 52.86 49.10 1ttv s ASN 75 Cb 0.08 -2.23 0.08 0.00 0.02 0.00 0.00 41.25 39.21 1ttv s ASN 75 CO 0.69 -0.70 0.77 -0.62 0.02 0.00 0.00 177.10 177.26 1ttv s ASP 76 N 2.66 -0.75 0.57 -1.22 2.15 -1.25 -5.03 116.67 113.80 1ttv s ASP 76 Ca 0.16 1.35 0.28 0.00 0.43 0.00 0.00 52.55 54.76 1ttv s ASP 76 Cb -0.15 1.35 1.54 0.00 -0.30 0.00 0.00 42.92 45.37 1ttv s ASP 76 CO -0.06 -0.23 2.02 -0.65 -0.17 0.00 0.00 175.17 176.09 1ttv h PRO 77 N 5.51 0.00 0.05 4.34 0.11 -1.93 -1.73 132.00 138.36 1ttv h PRO 77 Ca -0.29 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ttv h PRO 77 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ttv h PRO 77 CO 0.10 0.00 -0.03 1.25 -0.21 0.00 0.00 178.00 179.11 1ttv h LEU 78 N 0.00 -0.06 -0.84 2.35 5.85 -1.95 -2.58 115.31 118.08 1ttv h LEU 78 Ca 0.15 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1ttv h LEU 78 Cb 0.78 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1ttv h LEU 78 CO -0.00 0.47 0.53 1.23 -0.34 0.00 0.00 178.44 180.33 1ttv h GLY 79 N -0.61 1.24 2.00 3.75 0.00 -1.53 -0.63 103.07 107.30 1ttv h GLY 79 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1ttv h GLY 79 CO 0.01 0.30 -0.19 1.05 0.00 0.00 0.00 176.54 177.72 1ttv h GLU 80 N 1.00 0.00 0.22 4.80 -0.00 -1.48 0.25 114.58 119.38 1ttv h GLU 80 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.70 1ttv h GLU 80 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.84 1ttv h GLU 80 CO -0.14 0.19 -0.11 1.25 -0.00 0.00 0.00 179.01 180.20 1ttv h LEU 81 N 0.00 -0.25 -2.13 3.06 5.85 -0.73 -3.30 115.31 117.81 1ttv h LEU 81 Ca -0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1ttv h LEU 81 Cb 0.50 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1ttv h LEU 81 CO 0.02 0.13 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.94 1ttv h PHE 82 N -0.91 0.00 0.00 1.25 0.04 -1.30 -3.46 116.94 112.56 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 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1ttv h PHE 82 CO 0.01 0.05 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 1ttv n GLY 83 N -1.19 1.14 3.40 -1.45 0.00 -0.04 -5.08 105.19 101.96 1ttv n GLY 83 Ca -0.03 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 0.02 -0.19 1.61 -7.23 -0.49 -5.02 120.40 107.09 1ttv s VAL 84 Ca 0.00 -1.61 0.17 0.00 -1.81 0.00 0.00 61.98 58.72 1ttv s VAL 84 Cb 0.00 -2.22 -0.23 0.00 0.56 0.00 0.00 36.38 34.49 1ttv s VAL 84 CO 0.00 -0.08 0.06 0.00 -0.31 0.00 0.00 175.10 174.77 1ttv n GLN 85 N -0.30 0.90 -4.12 4.82 1.13 -1.26 -4.31 117.38 114.25 1ttv n GLN 85 Ca -0.02 -0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 54.88 1ttv n GLN 85 Cb 0.64 -1.49 -0.12 0.00 0.11 0.00 0.00 30.24 29.38 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 -2.46 0.68 -0.30 -1.09 -1.05 -1.26 -0.83 118.70 112.40 1ttv s GLU 86 Ca -0.10 -0.89 -0.11 0.00 -0.15 0.00 0.00 54.97 53.72 1ttv s GLU 86 Cb 0.06 -0.52 0.13 0.00 -0.44 0.00 0.00 34.13 33.35 1ttv s GLU 86 CO 0.77 0.10 0.71 -0.59 0.95 0.00 0.00 175.26 177.21 1ttv s PHE 87 N -1.48 -1.21 -0.27 4.83 -0.71 -0.16 -4.97 117.98 114.01 1ttv s PHE 87 Ca -0.05 2.13 -0.26 0.00 -1.04 0.00 0.00 56.93 57.71 1ttv s PHE 87 Cb -0.09 0.73 0.00 0.00 -1.21 0.00 0.00 43.02 42.45 1ttv s PHE 87 CO 0.01 -0.60 0.89 0.45 -1.34 0.00 0.00 175.22 174.63 1ttv s SER 88 N 2.70 6.84 0.41 1.98 0.15 -1.26 -2.64 113.70 121.88 1ttv s SER 88 Ca -0.06 0.99 0.28 0.00 0.70 0.00 0.00 55.95 57.86 1ttv s SER 88 Cb -0.10 -2.46 1.48 0.00 -1.71 0.00 0.00 66.02 63.22 1ttv s SER 88 CO -0.19 -0.63 1.87 -0.37 1.20 0.00 0.00 173.24 175.12 1ttv h VAL 89 N 5.53 0.00 -0.88 4.45 -1.51 -1.80 -2.62 116.25 119.42 1ttv h VAL 89 Ca -0.22 -0.06 0.25 0.00 -1.23 0.00 0.00 66.70 65.44 1ttv h VAL 89 Cb 1.08 0.73 -0.04 0.00 -2.13 0.00 0.00 31.29 30.94 1ttv h VAL 89 CO 0.92 0.00 0.65 0.50 -1.23 0.00 0.00 177.57 178.41 1ttv h LYS 90 N 0.00 0.00 -3.85 5.19 3.64 -1.91 -3.14 116.57 116.49 1ttv h LYS 90 Ca 0.00 0.00 -0.78 0.00 -1.27 0.00 0.00 60.65 58.60 1ttv h LYS 90 Cb 0.08 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.64 1ttv h LYS 90 CO 0.00 0.00 0.55 -1.21 -2.27 0.00 0.00 179.45 176.52 1ttv s GLU 91 N -4.94 4.06 0.28 1.90 0.41 -0.99 -4.87 118.70 114.55 1ttv s GLU 91 Ca -0.05 -2.94 0.01 0.00 -0.41 0.00 0.00 54.97 51.58 1ttv s GLU 91 Cb 0.21 -4.63 0.53 0.00 -1.78 0.00 0.00 34.13 28.46 1ttv s GLU 91 CO 0.75 -1.35 1.84 0.45 -0.49 0.00 0.00 175.26 176.46 1ttv h HIS 92 N 7.02 1.14 -0.46 1.61 3.86 -1.85 -0.26 115.15 126.21 1ttv h HIS 92 Ca 0.19 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.46 1ttv h HIS 92 Cb 0.91 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1ttv h HIS 92 CO 0.88 0.46 0.30 0.00 0.86 0.00 0.00 177.93 180.43 1ttv h ARG 93 N 1.00 0.50 -0.32 2.45 2.47 -1.91 -0.02 114.38 118.55 1ttv h ARG 93 Ca 0.49 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 59.06 1ttv h ARG 93 Cb 0.46 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1ttv h ARG 93 CO -0.26 0.33 -0.27 -0.09 0.56 0.00 0.00 179.97 180.24 1ttv h ARG 94 N 0.51 0.74 0.36 0.04 1.12 -1.44 -2.71 114.38 113.00 1ttv h ARG 94 Ca 0.18 -0.37 -0.02 0.00 -1.11 0.00 0.00 59.98 58.66 1ttv h ARG 94 Cb 0.10 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.07 1ttv h ARG 94 CO -0.04 0.99 -0.17 0.82 -3.11 0.00 0.00 179.97 178.45 1ttv h ILE 95 N 0.50 0.00 -1.32 1.20 2.04 -1.09 -2.41 117.51 116.43 1ttv h ILE 95 Ca 0.06 -0.46 0.38 0.00 1.00 0.00 0.00 64.86 65.84 1ttv h ILE 95 Cb 0.84 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1ttv h ILE 95 CO 0.07 0.00 0.98 0.22 0.00 0.00 0.00 178.15 179.42 1ttv h TYR 96 N -0.95 0.00 0.10 1.37 3.20 -1.15 0.27 116.97 119.81 1ttv h TYR 96 Ca -0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ttv h TYR 96 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1ttv h TYR 96 CO 0.02 0.00 -0.05 0.00 -1.64 0.00 0.00 178.16 176.49 1ttv h ALA 97 N 1.29 -0.32 -0.88 1.82 0.00 -1.48 -2.55 119.26 117.13 1ttv h ALA 97 Ca 0.63 -0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.70 1ttv h ALA 97 Cb 2.57 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 20.30 1ttv h ALA 97 CO -0.01 -0.31 0.42 0.00 0.00 0.00 0.00 179.25 179.35 1ttv h MET 98 N -0.39 0.49 0.00 0.00 -0.00 -0.83 0.52 114.93 114.73 1ttv h MET 98 Ca -0.01 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.70 59.60 1ttv h MET 98 Cb 0.11 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1ttv h MET 98 CO 0.02 0.33 -0.28 -0.84 -0.00 0.00 0.00 176.91 176.14 1ttv h ILE 99 N 0.51 1.16 -0.20 -0.10 -0.00 -1.10 -2.19 117.51 115.58 1ttv h ILE 99 Ca 0.52 -0.97 -0.20 0.00 -0.00 0.00 0.00 64.86 64.22 1ttv h ILE 99 Cb 0.89 1.53 0.01 0.00 -0.00 0.00 0.00 36.82 39.25 1ttv h ILE 99 CO -0.45 0.27 -0.64 0.28 -0.00 0.00 0.00 178.15 177.61 1ttv h SER 100 N 0.00 0.92 0.71 2.16 0.02 0.42 -2.98 113.55 114.80 1ttv h SER 100 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1ttv h SER 100 Cb 0.50 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1ttv h SER 100 CO 0.04 1.34 0.00 -2.11 -1.14 0.00 0.00 176.83 174.96 1ttv n ARG 101 N -4.02 0.07 -1.22 3.45 1.85 -0.35 -3.01 116.66 113.43 1ttv n ARG 101 Ca -0.06 0.10 -0.24 0.00 -1.00 0.00 0.00 57.85 56.65 1ttv n ARG 101 Cb 0.67 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.76 1ttv n ARG 101 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ttv n ASN 102 N -1.46 3.98 -3.98 2.89 3.02 -0.85 -4.87 115.26 113.99 1ttv n ASN 102 Ca 0.07 -3.64 -0.29 0.00 -0.03 0.00 0.00 54.58 50.69 1ttv n ASN 102 Cb 0.25 -0.84 -0.17 0.00 -0.61 0.00 0.00 39.78 38.42 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 -3.34 1.62 0.09 3.41 1.43 -1.16 -2.72 118.68 118.00 1ttv s LEU 103 Ca 0.57 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 1ttv s LEU 103 Cb 0.48 -1.08 -0.12 0.00 0.03 0.00 0.00 46.19 45.50 1ttv s LEU 103 CO 0.09 -0.09 1.67 -0.37 0.23 0.00 0.00 176.35 177.88 1ttv h VAL 104 N 6.14 1.10 -3.39 -1.59 -1.51 -1.48 -3.38 116.25 112.15 1ttv h VAL 104 Ca -0.34 -0.29 -0.72 0.00 -1.23 0.00 0.00 66.70 64.12 1ttv h VAL 104 Cb 1.13 1.10 -0.30 0.00 -2.13 0.00 0.00 31.29 31.09 1ttv h VAL 104 CO 0.49 0.09 -0.45 -0.55 -1.23 0.00 0.00 177.57 175.92 1ttv s SER 105 N -5.42 5.58 -0.35 4.19 0.15 -1.21 -4.99 113.70 111.66 1ttv s SER 105 Ca -0.13 -1.78 -0.03 0.00 0.70 0.00 0.00 55.95 54.70 1ttv s SER 105 Cb 0.07 -1.96 0.07 0.00 -1.71 0.00 0.00 66.02 62.48 1ttv s SER 105 CO 0.68 -0.61 0.10 0.00 1.20 0.00 0.00 173.24 174.62 1ttv s ALA 106 N 1.34 2.99 0.28 5.45 0.00 -1.26 -0.08 121.76 130.48 1ttv s ALA 106 Ca 0.05 -2.06 -0.30 0.00 0.00 0.00 0.00 51.96 49.65 1ttv s ALA 106 Cb -0.24 -2.19 -0.12 0.00 0.00 0.00 0.00 23.12 20.56 1ttv s ALA 106 CO -0.00 -1.49 1.59 -1.71 0.00 0.00 0.00 175.76 174.14 1ttv n ASN 107 N 4.65 3.75 -4.86 0.00 2.85 -1.19 -4.98 115.26 115.49 1ttv n ASN 107 Ca -0.09 1.14 -0.31 0.00 -0.11 0.00 0.00 54.58 55.21 1ttv n ASN 107 Cb 0.43 -1.57 0.01 0.00 1.24 0.00 0.00 39.78 39.89 1ttv n ASN 107 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ttv s VAL 108 N 0.10 4.61 -0.76 3.44 0.11 -1.26 -4.95 120.40 121.69 1ttv s VAL 108 Ca 0.66 0.87 -0.21 0.00 -2.93 0.00 0.00 61.98 60.37 1ttv s VAL 108 Cb -0.51 -3.80 0.10 0.00 -1.53 0.00 0.00 36.38 30.63 1ttv s VAL 108 CO 0.47 -1.08 1.00 -0.75 -3.33 0.00 0.00 175.10 171.41 1ttv s LYS 109 N -5.09 3.30 0.24 1.54 2.36 -1.26 -4.95 119.74 115.87 1ttv s LYS 109 Ca 0.56 -1.26 0.06 0.00 -2.55 0.00 0.00 55.97 52.78 1ttv s LYS 109 Cb -0.11 -4.51 -0.03 0.00 -1.05 0.00 0.00 37.83 32.12 1ttv s LYS 109 CO 0.53 -1.77 0.25 -1.83 1.55 0.00 0.00 175.35 174.07 1ttv s GLU 110 N 3.37 3.11 -0.45 4.03 -1.05 -1.26 -5.09 118.70 121.36 1ttv s GLU 110 Ca 0.25 -0.93 -0.06 0.00 -0.15 0.00 0.00 54.97 54.08 1ttv s GLU 110 Cb -0.13 -2.69 0.12 0.00 -0.44 0.00 0.00 34.13 30.99 1ttv s GLU 110 CO 0.02 0.42 0.29 -1.54 0.95 0.00 0.00 175.26 175.40 1ttv s SER 111 N -3.81 5.49 0.21 0.83 1.04 -1.26 -5.07 113.70 111.14 1ttv s SER 111 Ca 0.33 -2.00 0.08 0.00 0.48 0.00 0.00 55.95 54.85 1ttv s SER 111 Cb -0.08 -1.92 -0.05 0.00 0.10 0.00 0.00 66.02 64.06 1ttv s SER 111 CO 0.26 -0.62 -0.15 -0.44 0.98 0.00 0.00 173.24 173.27 1ttv s SER 112 N 2.23 2.73 -0.26 7.02 0.01 -1.26 -5.13 113.70 119.03 1ttv s SER 112 Ca 0.07 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.24 1ttv s SER 112 Cb -0.24 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1ttv s SER 112 CO -0.02 -0.13 0.08 -1.61 0.41 0.00 0.00 173.24 171.97 1ttv s GLU 113 N -3.58 3.53 -0.19 12.44 0.41 -1.26 -5.08 118.70 124.96 1ttv s GLU 113 Ca 0.23 -0.57 -0.06 0.00 -0.41 0.00 0.00 54.97 54.16 1ttv s GLU 113 Cb -0.02 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.93 1ttv s GLU 113 CO 0.08 -0.26 0.03 0.16 -0.49 0.00 0.00 175.26 174.78 1ttv s ASP 114 N 1.60 5.21 -0.41 -0.19 -4.77 -1.26 -5.07 116.67 111.79 1ttv s ASP 114 Ca 0.06 -0.07 -0.05 0.00 -3.30 0.00 0.00 52.55 49.18 1ttv s ASP 114 Cb -0.16 -1.89 0.10 0.00 -1.09 0.00 0.00 42.92 39.88 1ttv s ASP 114 CO 0.04 0.11 0.22 -0.63 0.70 0.00 0.00 175.17 175.61 1ttv s ILE 115 N 0.73 3.62 -0.05 2.11 1.01 -1.26 -4.86 121.20 122.50 1ttv s ILE 115 Ca 0.02 -1.79 0.05 0.00 0.00 0.00 0.00 60.65 58.93 1ttv s ILE 115 Cb -0.14 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 38.91 1ttv s ILE 115 CO 0.02 -0.60 0.03 0.49 0.00 0.00 0.00 174.94 174.88 1ttv n PHE 116 N 4.72 0.00 0.00 3.97 3.72 -1.26 -4.87 117.46 123.74 1ttv n PHE 116 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1ttv n PHE 116 Cb 0.42 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 2.62 3.35 3.84 1.37 0.00 -1.26 -4.67 105.19 110.45 1ttv n GLY 117 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.04 5.89 0.00 1.61 -0.87 -1.26 -5.24 114.94 114.03 1ttv s ASN 118 Ca 0.00 0.09 0.24 0.00 -1.57 0.00 0.00 52.86 51.62 1ttv s ASN 118 Cb 0.00 -1.68 0.22 0.00 -0.02 0.00 0.00 41.25 39.77 1ttv s ASN 118 CO 0.00 0.15 1.28 1.33 -2.57 0.00 0.00 177.10 177.29