#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 0.02 -2.53 2.46 -1.26 -4.86 115.29 112.66 1ttv s HIS 14 Ca 0.00 -1.70 0.09 0.00 0.47 0.00 0.00 55.06 53.91 1ttv s HIS 14 Cb 0.00 -3.80 -0.23 0.00 -0.13 0.00 0.00 32.58 28.42 1ttv s HIS 14 CO 0.00 -1.00 0.92 -0.84 -2.47 0.00 0.00 174.74 171.35 1ttv h ILE 15 N 5.27 1.21 0.00 0.89 3.07 -2.05 -3.47 117.51 122.42 1ttv h ILE 15 Ca -0.07 -2.99 0.00 0.00 1.55 0.00 0.00 64.86 63.35 1ttv h ILE 15 Cb 1.07 2.62 0.00 0.00 -0.27 0.00 0.00 36.82 40.23 1ttv h ILE 15 CO 0.87 0.71 0.00 -1.20 -1.05 0.00 0.00 178.15 177.49 1ttv n SER 16 N -3.21 0.00 -3.83 2.16 7.64 -1.26 -4.71 113.62 110.42 1ttv n SER 16 Ca -0.10 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.55 1ttv n SER 16 Cb 1.01 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.35 1ttv n SER 16 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ttv n THR 17 N 0.00 0.00 -1.95 0.44 -2.24 -1.26 -4.98 114.28 104.29 1ttv n THR 17 Ca 0.00 -1.04 -0.42 0.00 -2.27 0.00 0.00 64.05 60.32 1ttv n THR 17 Cb 0.00 -1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 66.88 1ttv n THR 17 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ttv s SER 18 N -4.80 6.56 0.07 3.42 0.15 -1.26 -4.83 113.70 113.01 1ttv s SER 18 Ca 0.60 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.48 1ttv s SER 18 Cb -0.02 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1ttv s SER 18 CO 0.41 -1.02 0.00 -0.67 1.20 0.00 0.00 173.24 173.16 1ttv n ASP 19 N 7.50 0.33 -4.67 5.45 2.03 -1.26 -5.11 116.55 120.82 1ttv n ASP 19 Ca 0.18 0.11 -0.24 0.00 0.52 0.00 0.00 54.79 55.36 1ttv n ASP 19 Cb 0.43 -0.05 -0.07 0.00 -0.72 0.00 0.00 41.12 40.70 1ttv n ASP 19 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1ttv s GLN 20 N -1.45 2.40 -0.14 -0.67 0.74 -1.26 -5.13 119.66 114.16 1ttv s GLN 20 Ca 0.00 -1.26 -0.03 0.00 0.05 0.00 0.00 55.36 54.12 1ttv s GLN 20 Cb 0.00 -2.28 -0.03 0.00 1.10 0.00 0.00 33.01 31.80 1ttv s GLN 20 CO 0.00 0.40 -0.05 -1.21 -0.55 0.00 0.00 175.29 173.88 1ttv s GLU 21 N -3.42 3.49 -0.13 1.67 2.02 -1.26 -5.06 118.70 116.00 1ttv s GLU 21 Ca 0.30 -0.54 -0.35 0.00 0.02 0.00 0.00 54.97 54.40 1ttv s GLU 21 Cb -0.08 -2.83 -0.12 0.00 0.10 0.00 0.00 34.13 31.20 1ttv s GLU 21 CO 0.20 0.31 1.87 0.36 0.02 0.00 0.00 175.26 178.03 1ttv n LYS 22 N 3.30 1.97 -3.97 1.61 0.00 -1.26 -4.95 118.16 114.85 1ttv n LYS 22 Ca -0.18 0.72 -0.34 0.00 -0.00 0.00 0.00 58.31 58.51 1ttv n LYS 22 Cb 0.53 -2.55 -0.06 0.00 -0.00 0.00 0.00 35.03 32.95 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 4.16 4.22 0.28 -5.58 1.43 -1.26 -4.06 118.68 117.86 1ttv s LEU 23 Ca 0.94 0.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 1ttv s LEU 23 Cb -0.76 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1ttv s LEU 23 CO 0.54 0.29 0.14 0.68 0.23 0.00 0.00 176.35 178.24 1ttv s VAL 24 N -1.23 3.86 -0.38 -1.59 -7.23 0.16 -3.04 120.40 110.94 1ttv s VAL 24 Ca 0.24 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1ttv s VAL 24 Cb -0.12 -3.16 0.12 0.00 0.56 0.00 0.00 36.38 33.77 1ttv s VAL 24 CO 0.15 -0.32 0.16 -1.58 -0.31 0.00 0.00 175.10 173.20 1ttv s GLN 25 N -3.81 1.19 0.50 4.82 2.00 0.10 -1.13 119.66 123.33 1ttv s GLN 25 Ca 0.34 -1.72 -0.23 0.00 -2.00 0.00 0.00 55.36 51.75 1ttv s GLN 25 Cb -0.07 -2.47 -0.06 0.00 0.80 0.00 0.00 33.01 31.21 1ttv s GLN 25 CO 0.23 -1.06 1.30 -2.14 -0.50 0.00 0.00 175.29 173.13 1ttv s PRO 26 N 0.83 3.45 1.05 1.67 0.02 -1.26 -1.34 135.00 139.41 1ttv s PRO 26 Ca 0.14 2.10 -0.11 0.00 0.02 0.00 0.00 61.00 63.14 1ttv s PRO 26 Cb -0.21 -2.38 0.22 0.00 0.02 0.00 0.00 34.50 32.15 1ttv s PRO 26 CO -0.10 -0.90 1.08 0.95 -0.33 0.00 0.00 177.00 177.71 1ttv s THR 27 N -1.36 2.03 0.48 0.99 -4.23 -0.97 -4.37 115.64 108.21 1ttv s THR 27 Ca 0.67 0.01 0.30 0.00 -1.18 0.00 0.00 61.69 61.49 1ttv s THR 27 Cb -0.37 -2.03 0.50 0.00 1.34 0.00 0.00 72.50 71.94 1ttv s THR 27 CO 0.45 -0.01 1.76 -0.65 -0.54 0.00 0.00 174.62 175.62 1ttv h PRO 28 N -2.29 0.14 0.36 3.99 0.11 -1.94 0.31 132.00 132.68 1ttv h PRO 28 Ca -0.53 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 1ttv h PRO 28 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ttv h PRO 28 CO 0.46 0.09 -0.17 1.25 -0.21 0.00 0.00 178.00 179.42 1ttv h LEU 29 N 0.14 -0.41 -1.40 2.35 5.85 -1.97 -3.10 115.31 116.77 1ttv h LEU 29 Ca 0.62 0.01 0.14 0.00 0.84 0.00 0.00 57.88 59.50 1ttv h LEU 29 Cb 2.12 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 43.19 1ttv h LEU 29 CO -0.15 -0.08 0.54 0.25 -0.34 0.00 0.00 178.44 178.66 1ttv h LEU 30 N -0.90 0.55 -0.01 2.25 5.85 -1.67 -2.81 115.31 118.57 1ttv h LEU 30 Ca -0.05 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ttv h LEU 30 Cb 0.37 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1ttv h LEU 30 CO 0.08 0.28 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.23 1ttv h LEU 31 N 0.59 -0.50 -1.00 2.25 3.38 -0.45 -1.88 115.31 117.70 1ttv h LEU 31 Ca 0.41 0.06 0.28 0.00 0.09 0.00 0.00 57.88 58.72 1ttv h LEU 31 Cb 0.75 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 1ttv h LEU 31 CO -0.17 -0.15 0.56 0.28 0.09 0.00 0.00 178.44 179.05 1ttv h SER 32 N -0.19 0.56 -0.79 -0.43 0.02 -1.42 0.96 113.55 112.26 1ttv h SER 32 Ca 0.01 0.17 0.16 0.00 -0.84 0.00 0.00 61.79 61.28 1ttv h SER 32 Cb 0.21 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 1ttv h SER 32 CO -0.11 -0.03 0.53 -0.07 -1.14 0.00 0.00 176.83 176.00 1ttv h LEU 33 N 0.43 0.39 -0.03 5.07 3.38 -1.27 0.36 115.31 123.65 1ttv h LEU 33 Ca 0.69 0.03 -0.26 0.00 0.09 0.00 0.00 57.88 58.43 1ttv h LEU 33 Cb 1.45 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.16 1ttv h LEU 33 CO -0.55 0.20 -1.08 -0.07 0.09 0.00 0.00 178.44 177.02 1ttv h LEU 34 N 0.42 0.63 -1.72 1.67 3.38 0.12 -1.79 115.31 118.02 1ttv h LEU 34 Ca 0.39 -0.55 0.13 0.00 0.09 0.00 0.00 57.88 57.94 1ttv h LEU 34 Cb 0.92 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1ttv h LEU 34 CO -0.13 1.37 0.42 0.11 0.09 0.00 0.00 178.44 180.30 1ttv h LYS 35 N 0.23 0.29 0.00 1.13 6.56 0.79 0.93 116.57 126.51 1ttv h LYS 35 Ca -0.12 -0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.39 1ttv h LYS 35 Cb 1.74 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 33.33 1ttv h LYS 35 CO 0.19 0.19 -1.40 0.45 -2.06 0.00 0.00 179.45 176.83 1ttv n SER 36 N -4.45 0.63 -0.43 0.86 2.88 -0.38 -3.94 113.62 108.79 1ttv n SER 36 Ca 0.11 0.25 0.06 0.00 -1.33 0.00 0.00 58.87 57.97 1ttv n SER 36 Cb 0.48 0.73 0.24 0.00 -0.75 0.00 0.00 64.21 64.91 1ttv n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ttv n ALA 37 N -2.28 2.50 -0.29 -1.46 0.00 -0.01 -4.85 120.51 114.11 1ttv n ALA 37 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1ttv n ALA 37 Cb 0.66 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.95 1.24 3.46 0.00 0.00 -0.56 -4.76 105.19 105.52 1ttv n GLY 38 Ca 0.11 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.09 2.60 0.01 4.61 0.00 0.30 -4.97 121.76 122.23 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 0.94 0.00 0.00 0.00 175.76 177.28 1ttv n GLN 40 N 1.20 0.00 -0.58 0.00 -0.06 -1.26 -4.01 117.38 112.66 1ttv n GLN 40 Ca -0.16 0.00 -0.24 0.00 -2.00 0.00 0.00 57.00 54.60 1ttv n GLN 40 Cb 0.52 -0.05 0.16 0.00 -4.06 0.00 0.00 30.24 26.81 1ttv n GLN 40 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 1ttv n LYS 41 N -2.61 -2.11 -0.02 3.69 0.00 -1.26 -4.94 118.16 110.91 1ttv n LYS 41 Ca 0.00 -0.62 -0.07 0.00 -0.00 0.00 0.00 58.31 57.62 1ttv n LYS 41 Cb 0.00 -1.54 -0.13 0.00 -0.00 0.00 0.00 35.03 33.35 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 -1.88 0.64 -4.14 -1.58 -0.58 -1.26 -4.93 120.64 106.91 1ttv n GLU 42 Ca 0.04 0.24 -0.27 0.00 -0.42 0.00 0.00 57.16 56.75 1ttv n GLU 42 Cb 0.46 -1.76 -0.07 0.00 -0.57 0.00 0.00 31.44 29.50 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1ttv s THR 43 N -2.65 4.05 -0.04 2.62 2.01 -1.26 -4.45 115.64 115.92 1ttv s THR 43 Ca -0.05 -1.20 -0.19 0.00 0.31 0.00 0.00 61.69 60.56 1ttv s THR 43 Cb 0.08 -3.02 0.04 0.00 0.01 0.00 0.00 72.50 69.61 1ttv s THR 43 CO 0.82 -0.05 0.42 -0.36 -0.69 0.00 0.00 174.62 174.76 1ttv s PHE 44 N -1.63 -0.34 0.53 4.92 0.40 -0.28 -4.98 117.98 116.59 1ttv s PHE 44 Ca 0.28 0.61 -0.17 0.00 -0.60 0.00 0.00 56.93 57.06 1ttv s PHE 44 Cb -0.10 0.18 -0.07 0.00 0.51 0.00 0.00 43.02 43.54 1ttv s PHE 44 CO 0.20 -0.42 1.01 0.95 0.70 0.00 0.00 175.22 177.65 1ttv s THR 45 N -1.08 4.26 0.34 0.64 -4.23 -1.26 0.36 115.64 114.68 1ttv s THR 45 Ca -0.11 1.12 0.14 0.00 -1.18 0.00 0.00 61.69 61.67 1ttv s THR 45 Cb -0.04 -3.60 0.34 0.00 1.34 0.00 0.00 72.50 70.55 1ttv s THR 45 CO 0.05 -0.58 1.63 -0.03 -0.54 0.00 0.00 174.62 175.14 1ttv h MET 46 N 0.88 0.17 0.81 3.99 4.05 -1.94 0.27 114.93 123.16 1ttv h MET 46 Ca -0.47 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 58.90 1ttv h MET 46 Cb 1.20 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.97 1ttv h MET 46 CO 0.60 0.11 -0.39 -0.22 0.23 0.00 0.00 176.91 177.24 1ttv h LYS 47 N 0.17 -1.05 -0.13 0.39 1.63 -1.92 0.99 116.57 116.66 1ttv h LYS 47 Ca 0.74 0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.64 1ttv h LYS 47 Cb 1.78 0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 33.62 1ttv h LYS 47 CO -0.69 -0.69 -0.05 0.93 -3.45 0.00 0.00 179.45 175.49 1ttv h GLU 48 N -1.13 -0.03 0.17 1.90 5.08 -1.31 0.17 114.58 119.43 1ttv h GLU 48 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ttv h GLU 48 Cb 0.84 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1ttv h GLU 48 CO 0.18 -0.02 -0.25 0.28 -1.00 0.00 0.00 179.01 178.20 1ttv h VAL 49 N -0.03 0.00 -0.30 3.13 2.07 -0.53 0.21 116.25 120.80 1ttv h VAL 49 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1ttv h VAL 49 Cb 0.14 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1ttv h VAL 49 CO -0.15 0.00 0.37 0.25 0.02 0.00 0.00 177.57 178.05 1ttv h LEU 50 N -0.44 0.00 0.16 2.57 6.46 -0.74 -2.00 115.31 121.33 1ttv h LEU 50 Ca -0.02 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1ttv h LEU 50 Cb 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1ttv h LEU 50 CO -0.07 0.00 -0.08 0.22 -0.62 0.00 0.00 178.44 177.89 1ttv h TYR 51 N 0.00 -0.20 -0.66 1.25 3.20 0.64 -3.20 116.97 118.00 1ttv h TYR 51 Ca 0.14 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.11 1ttv h TYR 51 Cb 0.87 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 1ttv h TYR 51 CO 0.00 0.21 0.26 0.45 -1.64 0.00 0.00 178.16 177.43 1ttv h HIS 52 N -0.92 0.44 -0.68 -3.82 -0.00 0.07 -1.38 115.15 108.87 1ttv h HIS 52 Ca -0.02 0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.52 1ttv h HIS 52 Cb 0.50 -0.10 -0.13 0.00 -0.00 0.00 0.00 27.41 27.68 1ttv h HIS 52 CO 0.08 0.10 -0.12 1.25 -0.00 0.00 0.00 177.93 179.24 1ttv h LEU 53 N 0.43 -0.54 -1.60 2.43 5.85 -1.51 1.42 115.31 121.80 1ttv h LEU 53 Ca 0.34 0.20 0.12 0.00 0.84 0.00 0.00 57.88 59.38 1ttv h LEU 53 Cb 0.45 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1ttv h LEU 53 CO -0.33 -0.20 0.46 1.23 -0.34 0.00 0.00 178.44 179.25 1ttv h GLY 54 N 0.03 0.66 1.55 3.75 0.00 -1.24 0.15 103.07 107.97 1ttv h GLY 54 Ca 0.34 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 47.28 1ttv h GLY 54 CO -0.67 0.09 -1.20 1.46 0.00 0.00 0.00 176.54 176.22 1ttv h GLN 55 N 0.43 0.00 -0.38 4.80 4.20 0.49 -3.03 115.11 121.62 1ttv h GLN 55 Ca 0.33 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.95 1ttv h GLN 55 Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1ttv h GLN 55 CO -0.10 0.68 -0.09 -0.92 -0.67 0.00 0.00 178.83 177.73 1ttv h TYR 56 N 0.00 0.82 0.19 2.96 3.20 0.38 -1.20 116.97 123.32 1ttv h TYR 56 Ca -0.11 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.57 1ttv h TYR 56 Cb 1.77 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1ttv h TYR 56 CO 0.00 0.87 -0.09 0.82 -1.64 0.00 0.00 178.16 178.11 1ttv h ILE 57 N 0.53 0.86 -0.33 1.81 2.04 -0.94 -1.53 117.51 119.95 1ttv h ILE 57 Ca 0.10 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 65.08 1ttv h ILE 57 Cb 0.60 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1ttv h ILE 57 CO 0.04 0.19 0.23 0.00 0.00 0.00 0.00 178.15 178.61 1ttv h MET 58 N -0.78 0.16 0.31 2.37 -0.00 -1.60 0.63 114.93 116.02 1ttv h MET 58 Ca -0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 1ttv h MET 58 Cb 0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.08 1ttv h MET 58 CO 0.04 0.10 -0.15 0.00 -0.00 0.00 0.00 176.91 176.91 1ttv h ALA 59 N 1.83 -0.42 0.00 -3.00 0.00 -1.19 -3.24 119.26 113.24 1ttv h ALA 59 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ttv h ALA 59 Cb 0.40 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ttv h ALA 59 CO -0.02 -0.41 -0.03 0.87 0.00 0.00 0.00 179.25 179.66 1ttv h LYS 60 N -1.07 0.00 -3.48 0.00 6.56 -1.04 -3.47 116.57 114.08 1ttv h LYS 60 Ca -0.04 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.46 1ttv h LYS 60 Cb 0.40 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.12 1ttv h LYS 60 CO 0.07 0.03 -0.25 0.94 -2.06 0.00 0.00 179.45 178.18 1ttv n GLN 61 N -3.27 -1.32 0.00 3.15 7.27 0.21 -4.97 117.38 118.46 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 0.19 -3.17 0.25 0.00 2.41 0.00 0.00 30.24 29.92 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 -2.01 0.50 -4.83 1.69 4.77 -0.85 -4.91 117.00 111.36 1ttv n LEU 62 Ca -0.05 0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 1ttv n LEU 62 Cb 0.54 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 1ttv n LEU 62 CO 0.19 0.11 0.67 -0.72 -1.33 0.00 0.00 177.39 176.31 1ttv s TYR 63 N -3.01 3.39 0.28 -1.77 -0.85 -1.26 -2.46 117.35 111.67 1ttv s TYR 63 Ca 0.11 1.52 -0.22 0.00 -0.52 0.00 0.00 57.07 57.95 1ttv s TYR 63 Cb 0.17 -2.82 -0.09 0.00 0.38 0.00 0.00 41.96 39.60 1ttv s TYR 63 CO 0.70 -0.31 0.82 0.34 -1.52 0.00 0.00 175.55 175.58 1ttv s ASP 64 N -2.75 7.15 0.10 -0.18 2.15 -0.30 -4.90 116.67 117.93 1ttv s ASP 64 Ca 0.60 1.59 -0.19 0.00 0.43 0.00 0.00 52.55 54.99 1ttv s ASP 64 Cb -0.10 -2.49 -0.07 0.00 -0.30 0.00 0.00 42.92 39.97 1ttv s ASP 64 CO 0.25 -0.04 1.62 -0.33 -0.17 0.00 0.00 175.17 176.50 1ttv h GLU 65 N 3.18 0.39 0.35 4.34 5.08 -1.96 -3.17 114.58 122.79 1ttv h GLU 65 Ca -0.47 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 1ttv h GLU 65 Cb 1.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ttv h GLU 65 CO 0.65 0.46 -0.18 0.87 -1.00 0.00 0.00 179.01 179.81 1ttv h LYS 66 N 0.24 -0.47 -5.14 2.33 1.57 -1.99 -3.41 116.57 109.71 1ttv h LYS 66 Ca 0.08 0.03 -0.67 0.00 -1.87 0.00 0.00 60.65 58.22 1ttv h LYS 66 Cb 0.23 0.11 -0.33 0.00 0.08 0.00 0.00 32.23 32.31 1ttv h LYS 66 CO -0.00 -0.31 -0.85 1.14 -0.57 0.00 0.00 179.45 178.86 1ttv s GLN 67 N -6.12 3.07 0.28 3.15 0.00 -1.20 -4.99 119.66 113.86 1ttv s GLN 67 Ca -0.15 -0.81 0.25 0.00 -0.00 0.00 0.00 55.36 54.64 1ttv s GLN 67 Cb 0.05 -2.55 0.67 0.00 0.00 0.00 0.00 33.01 31.18 1ttv s GLN 67 CO 0.64 -0.08 1.73 1.96 0.00 0.00 0.00 175.29 179.53 1ttv h GLN 68 N 7.56 0.00 -0.54 9.60 7.50 -1.80 -3.00 115.11 134.43 1ttv h GLN 68 Ca -0.37 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.78 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 0.59 0.00 0.00 -2.39 -1.50 0.00 0.00 178.83 175.53 1ttv n HIS 69 N -2.53 0.80 -5.15 2.96 1.44 -1.26 -4.76 115.22 106.72 1ttv n HIS 69 Ca 0.05 -0.34 -0.30 0.00 -2.01 0.00 0.00 57.72 55.12 1ttv n HIS 69 Cb 0.46 -0.11 -0.16 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.62 1.88 -0.29 0.61 -1.09 -1.19 -2.82 121.20 116.68 1ttv s ILE 70 Ca 0.30 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1ttv s ILE 70 Cb 0.18 -1.59 0.09 0.00 -1.58 0.00 0.00 42.46 39.56 1ttv s ILE 70 CO 0.17 0.53 0.04 -0.69 -1.23 0.00 0.00 174.94 173.75 1ttv s VAL 71 N -0.13 1.44 -0.34 2.92 1.01 -1.05 -1.15 120.40 123.09 1ttv s VAL 71 Ca -0.03 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1ttv s VAL 71 Cb -0.13 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.39 1ttv s VAL 71 CO 0.03 -0.48 0.10 -1.38 0.00 0.00 0.00 175.10 173.37 1ttv s HIS 72 N 1.36 2.56 -0.29 5.22 -3.43 -1.03 -1.90 115.29 117.78 1ttv s HIS 72 Ca 0.05 -2.32 -0.00 0.00 -0.80 0.00 0.00 55.06 51.99 1ttv s HIS 72 Cb -0.18 -2.23 0.09 0.00 -1.43 0.00 0.00 32.58 28.83 1ttv s HIS 72 CO -0.14 -0.89 0.07 0.00 -2.00 0.00 0.00 174.74 171.77 1ttv h SER 74 N 8.05 0.23 -3.67 0.00 0.02 -1.90 -3.35 113.55 112.93 1ttv h SER 74 Ca -0.14 -0.24 -0.78 0.00 -0.84 0.00 0.00 61.79 59.80 1ttv h SER 74 Cb 1.04 -0.06 -0.26 0.00 0.14 0.00 0.00 62.40 63.25 1ttv h SER 74 CO 0.45 0.41 0.01 0.21 -1.14 0.00 0.00 176.83 176.78 1ttv s ASN 75 N -5.65 6.59 -0.24 3.07 3.84 -1.26 -4.74 114.94 116.55 1ttv s ASN 75 Ca -0.14 -2.50 -0.26 0.00 0.21 0.00 0.00 52.86 50.17 1ttv s ASN 75 Cb 0.06 -2.20 0.08 0.00 -0.55 0.00 0.00 41.25 38.65 1ttv s ASN 75 CO 0.71 -0.63 0.79 -0.62 -2.79 0.00 0.00 177.10 174.56 1ttv s ASP 76 N 2.43 -0.67 0.56 -4.21 2.15 -1.26 -5.02 116.67 110.66 1ttv s ASP 76 Ca 0.15 1.21 0.29 0.00 0.43 0.00 0.00 52.55 54.63 1ttv s ASP 76 Cb -0.15 1.20 1.46 0.00 -0.30 0.00 0.00 42.92 45.14 1ttv s ASP 76 CO -0.06 -0.27 1.90 -0.65 -0.17 0.00 0.00 175.17 175.92 1ttv h PRO 77 N 4.53 0.00 -0.08 4.34 0.11 -1.93 0.05 132.00 139.02 1ttv h PRO 77 Ca -0.28 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 1ttv h PRO 77 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ttv h PRO 77 CO 0.11 0.00 -0.21 1.25 -0.21 0.00 0.00 178.00 178.94 1ttv h LEU 78 N 0.00 0.32 -1.07 2.35 5.85 -1.95 -2.09 115.31 118.72 1ttv h LEU 78 Ca 0.31 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1ttv h LEU 78 Cb 1.39 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 1ttv h LEU 78 CO -0.00 0.86 0.42 1.23 -0.34 0.00 0.00 178.44 180.61 1ttv h GLY 79 N -0.20 1.15 2.00 3.75 0.00 -1.19 -0.10 103.07 108.48 1ttv h GLY 79 Ca -0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1ttv h GLY 79 CO 0.05 0.49 -0.34 1.05 0.00 0.00 0.00 176.54 177.79 1ttv h GLU 80 N 1.08 0.00 0.08 4.80 -0.00 -1.39 0.52 114.58 119.68 1ttv h GLU 80 Ca 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.63 1ttv h GLU 80 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.77 1ttv h GLU 80 CO -0.04 0.34 -0.04 1.25 -0.00 0.00 0.00 179.01 180.51 1ttv h LEU 81 N 0.00 -0.09 -1.57 3.06 5.85 -0.59 -3.34 115.31 118.63 1ttv h LEU 81 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1ttv h LEU 81 Cb 0.90 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1ttv h LEU 81 CO 0.04 0.32 -0.22 -0.26 -0.34 0.00 0.00 178.44 177.98 1ttv h PHE 82 N -0.87 0.00 0.00 1.25 0.04 -1.15 -3.47 116.94 112.74 1ttv h PHE 82 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ttv h PHE 82 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 1ttv h PHE 82 CO 0.00 0.22 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 1ttv n GLY 83 N -0.55 0.84 3.23 -1.45 0.00 0.09 -5.08 105.19 102.27 1ttv n GLY 83 Ca -0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 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 0.60 -0.04 1.61 -7.23 -0.68 -5.01 120.40 107.66 1ttv s VAL 84 Ca 0.00 -1.97 0.10 0.00 -1.81 0.00 0.00 61.98 58.30 1ttv s VAL 84 Cb 0.00 -2.09 -0.15 0.00 0.56 0.00 0.00 36.38 34.70 1ttv s VAL 84 CO 0.00 -0.49 0.17 0.00 -0.31 0.00 0.00 175.10 174.46 1ttv n GLN 85 N -0.21 0.98 -3.71 4.82 1.13 -1.26 -4.24 117.38 114.88 1ttv n GLN 85 Ca -0.07 -0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 54.79 1ttv n GLN 85 Cb 0.63 -1.25 -0.09 0.00 0.11 0.00 0.00 30.24 29.64 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 -2.57 0.57 -0.20 -1.09 -1.05 -1.26 -0.39 118.70 112.70 1ttv s GLU 86 Ca -0.04 0.67 -0.27 0.00 -0.15 0.00 0.00 54.97 55.18 1ttv s GLU 86 Cb 0.06 0.28 0.08 0.00 -0.44 0.00 0.00 34.13 34.10 1ttv s GLU 86 CO 0.42 -0.07 0.77 -0.59 0.95 0.00 0.00 175.26 176.75 1ttv s PHE 87 N 0.26 -0.68 -0.18 4.83 -0.71 -0.80 -4.98 117.98 115.72 1ttv s PHE 87 Ca -0.00 1.50 -0.19 0.00 -1.04 0.00 0.00 56.93 57.20 1ttv s PHE 87 Cb -0.03 0.34 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1ttv s PHE 87 CO 0.01 -0.42 0.52 -1.12 -1.34 0.00 0.00 175.22 172.86 1ttv s SER 88 N -0.20 6.60 0.40 1.98 0.01 -1.26 -2.54 113.70 118.68 1ttv s SER 88 Ca -0.03 0.71 0.28 0.00 1.31 0.00 0.00 55.95 58.22 1ttv s SER 88 Cb -0.03 -2.30 1.43 0.00 0.21 0.00 0.00 66.02 65.33 1ttv s SER 88 CO 0.03 -0.15 1.84 -0.37 0.41 0.00 0.00 173.24 175.00 1ttv h VAL 89 N 5.04 0.00 -0.63 3.43 -1.51 -1.92 -2.69 116.25 117.98 1ttv h VAL 89 Ca -0.35 -0.06 0.18 0.00 -1.23 0.00 0.00 66.70 65.24 1ttv h VAL 89 Cb 1.16 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.01 1ttv h VAL 89 CO 0.74 0.00 0.59 0.11 -1.23 0.00 0.00 177.57 177.79 1ttv h LYS 90 N 0.00 0.00 -3.94 5.19 1.57 -1.92 -3.17 116.57 114.30 1ttv h LYS 90 Ca 0.00 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.00 1ttv h LYS 90 Cb 0.08 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.14 1ttv h LYS 90 CO 0.00 0.00 0.62 -1.21 -0.57 0.00 0.00 179.45 178.29 1ttv s GLU 91 N -4.70 4.07 0.30 3.15 2.02 -1.01 -4.85 118.70 117.68 1ttv s GLU 91 Ca -0.04 -2.91 -0.01 0.00 0.02 0.00 0.00 54.97 52.03 1ttv s GLU 91 Cb 0.17 -4.67 0.46 0.00 0.10 0.00 0.00 34.13 30.19 1ttv s GLU 91 CO 0.61 -1.39 1.95 0.45 0.02 0.00 0.00 175.26 176.90 1ttv h HIS 92 N 7.03 0.98 -0.20 1.61 3.86 -1.86 -1.57 115.15 125.00 1ttv h HIS 92 Ca 0.20 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.47 1ttv h HIS 92 Cb 0.90 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1ttv h HIS 92 CO 0.89 0.65 0.16 -0.09 0.86 0.00 0.00 177.93 180.39 1ttv h ARG 93 N 1.04 0.00 0.38 2.45 2.43 -1.92 -1.09 114.38 117.67 1ttv h ARG 93 Ca 0.27 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 1ttv h ARG 93 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1ttv h ARG 93 CO -0.05 0.00 -0.18 0.00 -1.51 0.00 0.00 179.97 178.22 1ttv h ARG 94 N 0.00 -0.49 -0.17 0.20 2.47 -1.69 -2.91 114.38 111.79 1ttv h ARG 94 Ca 0.10 0.03 0.05 0.00 -1.26 0.00 0.00 59.98 58.90 1ttv h ARG 94 Cb 0.41 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.78 1ttv h ARG 94 CO -0.00 -0.33 -0.22 0.82 0.56 0.00 0.00 179.97 180.80 1ttv h ILE 95 N -1.12 0.45 -0.99 2.04 2.04 -1.41 0.40 117.51 118.93 1ttv h ILE 95 Ca -0.05 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.02 1ttv h ILE 95 Cb 0.39 0.45 -0.11 0.00 -0.74 0.00 0.00 36.82 36.81 1ttv h ILE 95 CO 0.09 0.00 0.58 0.22 0.00 0.00 0.00 178.15 179.03 1ttv h TYR 96 N -0.26 1.00 0.01 1.37 3.20 -1.34 0.22 116.97 121.18 1ttv h TYR 96 Ca 0.11 0.04 -0.27 0.00 3.14 0.00 0.00 58.73 61.75 1ttv h TYR 96 Cb 0.43 -0.29 0.02 0.00 1.54 0.00 0.00 36.73 38.43 1ttv h TYR 96 CO -0.34 0.14 -1.06 0.00 -1.64 0.00 0.00 178.16 175.26 1ttv h ALA 97 N 1.68 0.14 0.60 1.82 0.00 -1.02 -2.76 119.26 119.72 1ttv h ALA 97 Ca 0.60 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ttv h ALA 97 Cb 1.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1ttv h ALA 97 CO -0.43 0.70 -0.41 0.52 0.00 0.00 0.00 179.25 179.63 1ttv h MET 98 N 0.37 -0.92 -0.29 0.00 2.86 0.16 -2.45 114.93 114.66 1ttv h MET 98 Ca -0.13 0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1ttv h MET 98 Cb 1.71 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.57 1ttv h MET 98 CO 0.21 -0.61 0.20 -0.84 1.06 0.00 0.00 176.91 176.92 1ttv h ILE 99 N -0.96 0.91 -0.50 -1.22 -0.00 -1.23 -2.09 117.51 112.42 1ttv h ILE 99 Ca -0.08 -0.04 0.05 0.00 -0.00 0.00 0.00 64.86 64.80 1ttv h ILE 99 Cb 0.78 0.79 -0.05 0.00 -0.00 0.00 0.00 36.82 38.34 1ttv h ILE 99 CO 0.05 0.02 0.22 -1.28 -0.00 0.00 0.00 178.15 177.16 1ttv h SER 100 N 0.11 0.29 1.00 2.16 0.87 -1.14 -0.37 113.55 116.47 1ttv h SER 100 Ca 0.13 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1ttv h SER 100 Cb 0.39 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1ttv h SER 100 CO -0.02 0.20 0.00 0.03 -0.53 0.00 0.00 176.83 176.51 1ttv h ARG 101 N 0.43 0.00 -1.01 2.24 3.08 -1.03 -3.05 114.38 115.04 1ttv h ARG 101 Ca 0.23 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.73 1ttv h ARG 101 Cb 0.19 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.94 1ttv h ARG 101 CO -0.19 0.00 0.70 0.09 -1.07 0.00 0.00 179.97 179.50 1ttv n ASN 102 N -2.31 4.81 -3.90 7.04 3.02 -0.15 -4.84 115.26 118.93 1ttv n ASN 102 Ca 0.03 -3.62 -0.30 0.00 -0.03 0.00 0.00 54.58 50.67 1ttv n ASN 102 Cb 0.30 -0.87 -0.16 0.00 -0.61 0.00 0.00 39.78 38.44 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 -3.35 2.56 0.11 3.41 1.43 -1.16 -2.29 118.68 119.40 1ttv s LEU 103 Ca 0.58 -1.26 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 1ttv s LEU 103 Cb 0.47 -1.12 -0.10 0.00 0.03 0.00 0.00 46.19 45.47 1ttv s LEU 103 CO 0.07 -0.27 1.61 -0.37 0.23 0.00 0.00 176.35 177.62 1ttv h VAL 104 N 6.63 0.28 -3.64 -1.59 -1.51 -1.50 -3.38 116.25 111.54 1ttv h VAL 104 Ca -0.16 0.00 -0.70 0.00 -1.23 0.00 0.00 66.70 64.61 1ttv h VAL 104 Cb 1.07 0.28 -0.28 0.00 -2.13 0.00 0.00 31.29 30.23 1ttv h VAL 104 CO 0.42 0.00 -0.58 -0.55 -1.23 0.00 0.00 177.57 175.63 1ttv s SER 105 N -4.70 5.45 -0.28 4.19 0.15 -1.22 -5.01 113.70 112.27 1ttv s SER 105 Ca -0.16 -1.12 -0.03 0.00 0.70 0.00 0.00 55.95 55.33 1ttv s SER 105 Cb 0.07 -1.92 0.03 0.00 -1.71 0.00 0.00 66.02 62.49 1ttv s SER 105 CO 0.64 -0.35 -0.00 0.00 1.20 0.00 0.00 173.24 174.72 1ttv s ALA 106 N 1.44 2.84 -0.11 5.45 0.00 -1.26 -0.72 121.76 129.40 1ttv s ALA 106 Ca -0.00 -1.55 -0.30 0.00 0.00 0.00 0.00 51.96 50.11 1ttv s ALA 106 Cb -0.20 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.01 1ttv s ALA 106 CO 0.04 -0.99 1.10 -0.80 0.00 0.00 0.00 175.76 175.11 1ttv s ASN 107 N 1.36 7.14 0.27 0.00 0.01 -1.17 -5.04 114.94 117.51 1ttv s ASN 107 Ca -0.01 1.62 0.11 0.00 -0.71 0.00 0.00 52.86 53.87 1ttv s ASN 107 Cb -0.18 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.88 1ttv s ASN 107 CO -0.01 -0.55 -0.13 0.54 -1.51 0.00 0.00 177.10 175.44 1ttv s VAL 108 N 2.36 2.85 0.10 1.60 0.11 -1.26 -4.73 120.40 121.43 1ttv s VAL 108 Ca 0.51 -2.19 0.07 0.00 -2.93 0.00 0.00 61.98 57.44 1ttv s VAL 108 Cb -0.20 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 1ttv s VAL 108 CO 0.17 -0.37 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.72 1ttv s LYS 109 N -3.52 2.11 0.14 1.54 2.36 -1.26 -5.03 119.74 116.07 1ttv s LYS 109 Ca 0.30 -1.03 -0.03 0.00 -2.55 0.00 0.00 55.97 52.65 1ttv s LYS 109 Cb -0.06 -2.29 -0.07 0.00 -1.05 0.00 0.00 37.83 34.36 1ttv s LYS 109 CO 0.17 0.51 1.33 0.93 1.55 0.00 0.00 175.35 179.83 1ttv h GLU 110 N 3.62 0.38 -6.17 4.03 5.08 -2.06 -3.43 114.58 116.03 1ttv h GLU 110 Ca -0.49 -0.40 -0.57 0.00 -1.00 0.00 0.00 59.36 56.90 1ttv h GLU 110 Cb 1.17 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1ttv h GLU 110 CO 0.52 1.07 0.71 -1.12 -1.00 0.00 0.00 179.01 179.19 1ttv s SER 111 N -7.05 7.14 0.00 1.42 0.01 -1.26 -5.03 113.70 108.94 1ttv s SER 111 Ca -0.05 1.49 0.02 0.00 1.31 0.00 0.00 55.95 58.72 1ttv s SER 111 Cb 0.09 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 1ttv s SER 111 CO 0.86 -0.59 -0.07 -0.44 0.41 0.00 0.00 173.24 173.41 1ttv s SER 112 N 1.23 0.86 0.91 2.44 0.01 -1.26 -5.15 113.70 112.75 1ttv s SER 112 Ca 0.47 -0.20 -0.11 0.00 1.31 0.00 0.00 55.95 57.42 1ttv s SER 112 Cb -0.17 -0.07 0.14 0.00 0.21 0.00 0.00 66.02 66.13 1ttv s SER 112 CO 0.12 0.04 1.12 -1.61 0.41 0.00 0.00 173.24 173.32 1ttv s GLU 113 N -0.42 1.08 -0.10 12.44 2.02 -1.26 -5.02 118.70 127.45 1ttv s GLU 113 Ca 0.01 1.34 -0.05 0.00 0.02 0.00 0.00 54.97 56.29 1ttv s GLU 113 Cb -0.04 -1.75 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 1ttv s GLU 113 CO -0.00 -2.52 0.12 -0.51 0.02 0.00 0.00 175.26 172.37 1ttv s ASP 114 N -2.86 6.15 -0.41 -0.19 1.01 -1.26 -5.07 116.67 114.04 1ttv s ASP 114 Ca 0.66 0.39 -0.05 0.00 0.71 0.00 0.00 52.55 54.25 1ttv s ASP 114 Cb -0.21 -1.94 0.10 0.00 1.01 0.00 0.00 42.92 41.87 1ttv s ASP 114 CO 0.58 0.39 0.21 -0.63 0.21 0.00 0.00 175.17 175.93 1ttv s ILE 115 N -1.04 3.61 -0.40 0.77 -1.09 -1.26 -4.93 121.20 116.87 1ttv s ILE 115 Ca 0.16 -1.79 0.06 0.00 -2.23 0.00 0.00 60.65 56.85 1ttv s ILE 115 Cb -0.12 -3.35 0.58 0.00 -1.58 0.00 0.00 42.46 38.00 1ttv s ILE 115 CO 0.05 -0.59 1.72 2.22 -1.23 0.00 0.00 174.94 177.11 1ttv n PHE 116 N 4.72 2.26 -0.13 3.97 1.16 -1.26 -4.82 117.46 123.35 1ttv n PHE 116 Ca -0.06 -1.84 0.00 0.00 -1.87 0.00 0.00 57.45 53.68 1ttv n PHE 116 Cb 0.42 -0.78 0.00 0.00 -1.61 0.00 0.00 39.48 37.51 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 -1.12 1.40 3.25 4.97 0.00 -1.26 -5.08 105.19 107.35 1ttv n GLY 117 Ca 0.49 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 1ttv n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttv s ASN 118 N -2.06 5.28 0.00 1.61 2.20 -1.26 -5.32 114.94 115.39 1ttv s ASN 118 Ca 0.00 -1.24 0.00 0.00 -0.94 0.00 0.00 52.86 50.68 1ttv s ASN 118 Cb 0.00 -1.85 0.00 0.00 -2.00 0.00 0.00 41.25 37.40 1ttv s ASN 118 CO 0.00 -0.35 0.00 0.52 -2.94 0.00 0.00 177.10 174.33