#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 3.53 -0.01 -2.53 2.46 -1.26 -4.86 115.29 112.62 1ttv s HIS 14 Ca 0.00 -1.90 -0.03 0.00 0.47 0.00 0.00 55.06 53.60 1ttv s HIS 14 Cb 0.00 -3.67 -0.01 0.00 -0.13 0.00 0.00 32.58 28.77 1ttv s HIS 14 CO 0.00 -0.98 -0.06 -0.89 -2.47 0.00 0.00 174.74 170.35 1ttv n ILE 15 N 4.39 0.48 0.00 0.89 -0.00 -1.26 -5.11 119.36 118.75 1ttv n ILE 15 Ca 0.02 0.25 0.00 0.00 -0.00 0.00 0.00 62.75 63.02 1ttv n ILE 15 Cb 0.43 -1.48 0.00 0.00 -0.00 0.00 0.00 39.64 38.59 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 -3.01 0.00 0.17 4.38 2.88 -1.26 -5.08 113.62 111.70 1ttv n SER 16 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1ttv n SER 16 Cb 0.08 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 1ttv n SER 16 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ttv n THR 17 N -1.30 0.00 -3.49 2.46 -2.24 -1.26 -5.08 114.28 103.37 1ttv n THR 17 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1ttv n THR 17 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.00 5.88 0.00 3.42 0.15 -1.26 -4.78 113.70 115.11 1ttv s SER 18 Ca 0.00 -1.58 0.02 0.00 0.70 0.00 0.00 55.95 55.08 1ttv s SER 18 Cb 0.00 -2.08 0.03 0.00 -1.71 0.00 0.00 66.02 62.25 1ttv s SER 18 CO 0.00 -0.65 0.87 -0.90 1.20 0.00 0.00 173.24 173.76 1ttv n ASP 19 N 5.05 -0.58 -4.64 5.45 5.68 -1.26 -5.12 116.55 121.13 1ttv n ASP 19 Ca -0.11 -1.73 -0.35 0.00 -0.50 0.00 0.00 54.79 52.11 1ttv n ASP 19 Cb 0.42 0.17 -0.10 0.00 -1.14 0.00 0.00 41.12 40.47 1ttv n ASP 19 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1ttv s GLN 20 N 0.00 3.23 0.44 0.11 0.74 -1.26 -5.10 119.66 117.81 1ttv s GLN 20 Ca 0.02 -0.43 -0.21 0.00 0.05 0.00 0.00 55.36 54.79 1ttv s GLN 20 Cb 0.02 -2.86 -0.10 0.00 1.10 0.00 0.00 33.01 31.17 1ttv s GLN 20 CO -0.01 0.56 0.97 -1.21 -0.55 0.00 0.00 175.29 175.05 1ttv s GLU 21 N -0.48 4.16 -0.04 1.67 2.02 -1.26 -4.96 118.70 119.81 1ttv s GLU 21 Ca 0.08 1.17 -0.35 0.00 0.02 0.00 0.00 54.97 55.90 1ttv s GLU 21 Cb -0.12 -2.18 -0.13 0.00 0.10 0.00 0.00 34.13 31.80 1ttv s GLU 21 CO 0.02 -0.10 1.75 0.36 0.02 0.00 0.00 175.26 177.31 1ttv n LYS 22 N -0.67 1.95 -4.43 1.61 0.00 -1.26 -4.86 118.16 110.50 1ttv n LYS 22 Ca 0.07 0.71 -0.33 0.00 -0.00 0.00 0.00 58.31 58.76 1ttv n LYS 22 Cb 0.54 -2.50 -0.10 0.00 -0.00 0.00 0.00 35.03 32.97 1ttv n LYS 22 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1ttv s LEU 23 N 2.97 3.37 0.39 -5.58 2.34 -1.25 -4.59 118.68 116.33 1ttv s LEU 23 Ca 0.90 0.00 0.07 0.00 0.06 0.00 0.00 54.13 55.16 1ttv s LEU 23 Cb -0.76 -1.84 0.00 0.00 -0.56 0.00 0.00 46.19 43.03 1ttv s LEU 23 CO 0.50 0.33 0.54 0.68 -1.06 0.00 0.00 176.35 177.33 1ttv s VAL 24 N -0.94 3.45 -0.38 1.48 -7.23 0.37 -2.62 120.40 114.53 1ttv s VAL 24 Ca 0.15 -0.98 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 1ttv s VAL 24 Cb -0.11 -3.18 0.05 0.00 0.56 0.00 0.00 36.38 33.70 1ttv s VAL 24 CO 0.05 -0.07 0.18 -1.58 -0.31 0.00 0.00 175.10 173.38 1ttv s GLN 25 N -4.29 2.65 0.63 4.82 2.00 0.29 0.14 119.66 125.89 1ttv s GLN 25 Ca 0.51 -1.27 -0.18 0.00 -2.00 0.00 0.00 55.36 52.43 1ttv s GLN 25 Cb -0.10 -3.64 -0.02 0.00 0.80 0.00 0.00 33.01 30.06 1ttv s GLN 25 CO 0.32 -0.78 1.20 -2.14 -0.50 0.00 0.00 175.29 173.39 1ttv s PRO 26 N 1.44 2.77 0.62 1.67 0.02 -1.26 0.24 135.00 140.50 1ttv s PRO 26 Ca 0.01 1.78 -0.19 0.00 0.02 0.00 0.00 61.00 62.62 1ttv s PRO 26 Cb -0.21 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.38 1ttv s PRO 26 CO 0.03 -1.35 1.22 0.25 -0.33 0.00 0.00 177.00 176.82 1ttv n THR 27 N -1.91 4.51 -0.48 0.99 -2.24 0.30 -4.43 114.28 111.02 1ttv n THR 27 Ca 0.13 -0.50 0.43 0.00 -2.27 0.00 0.00 64.05 61.84 1ttv n THR 27 Cb 0.50 -1.42 0.77 0.00 -2.10 0.00 0.00 70.33 68.08 1ttv n THR 27 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ttv h PRO 28 N 0.62 0.00 0.27 -0.78 0.11 -1.93 0.63 132.00 130.92 1ttv h PRO 28 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1ttv h PRO 28 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1ttv h PRO 28 CO 0.53 0.00 -0.13 1.25 -0.21 0.00 0.00 178.00 179.44 1ttv h LEU 29 N 0.00 -0.30 -1.10 2.35 5.85 -1.95 -3.11 115.31 117.05 1ttv h LEU 29 Ca 0.72 0.01 0.09 0.00 0.84 0.00 0.00 57.88 59.54 1ttv h LEU 29 Cb 2.94 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 43.98 1ttv h LEU 29 CO -0.01 0.13 0.61 0.25 -0.34 0.00 0.00 178.44 179.08 1ttv h LEU 30 N -1.05 0.91 -0.24 2.25 5.85 -1.41 -2.70 115.31 118.92 1ttv h LEU 30 Ca -0.04 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1ttv h LEU 30 Cb 0.27 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 1ttv h LEU 30 CO 0.06 0.53 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.20 1ttv h LEU 31 N 1.00 -1.38 -0.86 2.25 3.38 0.10 -0.70 115.31 119.09 1ttv h LEU 31 Ca 0.44 0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.80 1ttv h LEU 31 Cb 0.36 0.56 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 1ttv h LEU 31 CO -0.20 -0.33 0.31 -1.28 0.09 0.00 0.00 178.44 177.04 1ttv h SER 32 N -0.35 0.19 -0.99 -0.43 0.87 -1.40 0.63 113.55 112.06 1ttv h SER 32 Ca 0.05 0.16 0.13 0.00 -1.23 0.00 0.00 61.79 60.90 1ttv h SER 32 Cb 0.47 0.18 -0.09 0.00 -0.44 0.00 0.00 62.40 62.52 1ttv h SER 32 CO -0.41 -0.05 0.61 -0.07 -0.53 0.00 0.00 176.83 176.38 1ttv h LEU 33 N 0.33 0.88 -0.15 2.23 3.38 -1.08 0.25 115.31 121.16 1ttv h LEU 33 Ca 0.53 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.39 1ttv h LEU 33 Cb 1.00 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 41.64 1ttv h LEU 33 CO -0.56 0.45 -0.56 -0.07 0.09 0.00 0.00 178.44 177.80 1ttv h LEU 34 N 0.94 0.75 -0.70 1.67 3.38 0.74 -0.26 115.31 121.83 1ttv h LEU 34 Ca 0.50 -0.61 0.13 0.00 0.09 0.00 0.00 57.88 57.99 1ttv h LEU 34 Cb 0.54 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.98 1ttv h LEU 34 CO -0.28 1.23 0.26 0.11 0.09 0.00 0.00 178.44 179.85 1ttv h LYS 35 N 0.31 0.40 0.00 1.13 1.79 0.17 1.03 116.57 121.40 1ttv h LYS 35 Ca -0.03 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1ttv h LYS 35 Cb 1.19 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1ttv h LYS 35 CO 0.12 0.26 -0.35 0.77 -1.08 0.00 0.00 179.45 179.18 1ttv h SER 36 N 0.41 0.00 -0.03 0.86 0.02 -0.59 -3.24 113.55 110.99 1ttv h SER 36 Ca 0.38 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1ttv h SER 36 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1ttv h SER 36 CO -0.38 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.31 1ttv n ALA 37 N -2.12 2.61 0.00 3.77 0.00 0.08 -4.83 120.51 120.02 1ttv n ALA 37 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1ttv n ALA 37 Cb 0.53 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.92 0.95 3.79 0.00 0.00 -0.71 -4.84 105.19 105.30 1ttv n GLY 38 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 3.02 0.02 4.61 0.00 0.34 -4.97 121.76 122.78 1ttv s ALA 39 Ca 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1ttv s ALA 39 Cb 0.00 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.87 1ttv s ALA 39 CO 0.00 -0.18 -0.02 1.04 0.00 0.00 0.00 175.76 176.60 1ttv n GLN 40 N -0.37 0.03 -0.44 0.00 3.00 -1.26 -3.92 117.38 114.42 1ttv n GLN 40 Ca 0.06 0.01 -0.18 0.00 -0.01 0.00 0.00 57.00 56.88 1ttv n GLN 40 Cb 0.51 -0.28 0.18 0.00 0.00 0.00 0.00 30.24 30.64 1ttv n GLN 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ttv n LYS 41 N -2.92 -2.91 -0.05 -1.09 0.00 -1.26 -4.94 118.16 104.99 1ttv n LYS 41 Ca -0.01 -0.86 -0.03 0.00 -0.00 0.00 0.00 58.31 57.41 1ttv n LYS 41 Cb 0.03 -1.55 -0.15 0.00 -0.00 0.00 0.00 35.03 33.36 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 -2.64 0.67 -4.08 -1.58 0.00 -1.26 -4.93 120.64 106.83 1ttv n GLU 42 Ca 0.08 -0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.95 1ttv n GLU 42 Cb 0.36 -1.58 -0.06 0.00 0.00 0.00 0.00 31.44 30.16 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 -2.83 4.45 -0.13 3.84 2.01 -1.26 -4.08 115.64 117.63 1ttv s THR 43 Ca -0.08 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 60.71 1ttv s THR 43 Cb 0.09 -3.21 0.06 0.00 0.01 0.00 0.00 72.50 69.45 1ttv s THR 43 CO 0.85 0.00 0.62 -0.36 -0.69 0.00 0.00 174.62 175.04 1ttv s PHE 44 N -1.57 -0.63 0.52 4.92 0.40 0.36 -4.91 117.98 117.08 1ttv s PHE 44 Ca 0.30 1.30 -0.18 0.00 -0.60 0.00 0.00 56.93 57.75 1ttv s PHE 44 Cb -0.11 0.30 -0.07 0.00 0.51 0.00 0.00 43.02 43.64 1ttv s PHE 44 CO 0.22 -0.46 1.01 0.95 0.70 0.00 0.00 175.22 177.64 1ttv s THR 45 N -0.51 4.18 0.30 0.64 -4.23 -1.26 -0.48 115.64 114.28 1ttv s THR 45 Ca -0.06 1.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.60 1ttv s THR 45 Cb -0.03 -3.56 0.39 0.00 1.34 0.00 0.00 72.50 70.64 1ttv s THR 45 CO 0.05 -0.50 1.59 0.24 -0.54 0.00 0.00 174.62 175.45 1ttv h MET 46 N 1.05 0.04 0.13 3.99 2.86 -1.94 0.45 114.93 121.51 1ttv h MET 46 Ca -0.48 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1ttv h MET 46 Cb 1.20 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1ttv h MET 46 CO 0.60 0.03 -0.23 -0.22 1.06 0.00 0.00 176.91 178.14 1ttv h LYS 47 N 0.04 -0.42 -0.50 1.72 1.63 -1.97 0.64 116.57 117.72 1ttv h LYS 47 Ca 0.58 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.39 1ttv h LYS 47 Cb 1.20 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.90 1ttv h LYS 47 CO -0.86 -0.28 0.21 0.93 -3.45 0.00 0.00 179.45 176.00 1ttv h GLU 48 N -0.43 0.74 0.32 1.90 4.39 -1.14 0.96 114.58 121.32 1ttv h GLU 48 Ca 0.02 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ttv h GLU 48 Cb 0.45 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1ttv h GLU 48 CO -0.12 0.64 -0.30 0.28 -1.16 0.00 0.00 179.01 178.35 1ttv h VAL 49 N 0.67 0.37 0.00 3.13 2.07 0.15 0.62 116.25 123.27 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 0.17 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1ttv h VAL 49 CO -0.02 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.46 1ttv n LEU 50 N -5.42 0.57 -0.07 2.57 0.00 0.22 -1.55 117.00 113.32 1ttv n LEU 50 Ca -0.09 0.70 -0.08 0.00 0.00 0.00 0.00 56.01 56.54 1ttv n LEU 50 Cb 0.32 -0.69 -0.05 0.00 0.00 0.00 0.00 43.42 43.00 1ttv n LEU 50 CO 0.29 -0.73 -0.06 0.22 0.00 0.00 0.00 177.39 177.11 1ttv h TYR 51 N 0.00 0.00 -0.01 1.96 5.03 0.95 -3.13 116.97 121.77 1ttv h TYR 51 Ca 0.00 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.23 1ttv h TYR 51 Cb 0.18 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 1ttv h TYR 51 CO 0.00 0.46 -0.38 0.45 -1.32 0.00 0.00 178.16 177.37 1ttv h HIS 52 N -1.00 0.03 -0.50 -3.82 -0.00 -0.89 -2.69 115.15 106.28 1ttv h HIS 52 Ca -0.05 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.24 1ttv h HIS 52 Cb 0.55 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 1ttv h HIS 52 CO 0.03 0.41 0.03 1.25 -0.00 0.00 0.00 177.93 179.65 1ttv h LEU 53 N 0.03 0.85 -0.93 2.43 5.85 -1.45 0.20 115.31 122.28 1ttv h LEU 53 Ca -0.00 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1ttv h LEU 53 Cb 0.68 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ttv h LEU 53 CO 0.05 0.93 0.19 1.23 -0.34 0.00 0.00 178.44 180.50 1ttv h GLY 54 N 0.74 1.05 2.00 3.75 0.00 -1.44 -1.85 103.07 107.32 1ttv h GLY 54 Ca 0.15 -0.60 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1ttv h GLY 54 CO 0.02 0.56 -0.51 1.46 0.00 0.00 0.00 176.54 178.07 1ttv h GLN 55 N 0.95 0.00 -0.35 4.80 4.20 -1.18 -2.91 115.11 120.61 1ttv h GLN 55 Ca 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1ttv h GLN 55 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1ttv h GLN 55 CO -0.01 0.51 0.16 -0.92 -0.67 0.00 0.00 178.83 177.90 1ttv h TYR 56 N 0.00 0.48 0.15 2.96 5.03 0.24 -0.43 116.97 125.39 1ttv h TYR 56 Ca -0.01 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1ttv h TYR 56 Cb 1.03 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1ttv h TYR 56 CO 0.00 0.37 -0.07 0.82 -1.32 0.00 0.00 178.16 177.96 1ttv h ILE 57 N 0.49 0.85 -0.94 1.81 2.04 -1.30 -2.39 117.51 118.07 1ttv h ILE 57 Ca 0.12 -1.17 0.06 0.00 1.00 0.00 0.00 64.86 64.87 1ttv h ILE 57 Cb 0.08 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1ttv h ILE 57 CO -0.02 0.23 0.60 0.00 0.00 0.00 0.00 178.15 178.96 1ttv h MET 58 N -0.87 1.07 0.74 2.37 -0.00 -1.46 0.85 114.93 117.64 1ttv h MET 58 Ca -0.02 -0.06 -0.04 0.00 -0.00 0.00 0.00 59.70 59.58 1ttv h MET 58 Cb 0.53 -0.24 0.01 0.00 -0.00 0.00 0.00 31.60 31.89 1ttv h MET 58 CO 0.03 0.71 -0.36 0.00 -0.00 0.00 0.00 176.91 177.29 1ttv h ALA 59 N 1.43 -1.00 0.00 -3.00 0.00 -1.16 -2.91 119.26 112.61 1ttv h ALA 59 Ca 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1ttv h ALA 59 Cb 0.15 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ttv h ALA 59 CO -0.17 -0.98 -0.10 0.87 0.00 0.00 0.00 179.25 178.88 1ttv h LYS 60 N -1.17 0.00 -3.99 0.00 6.56 -1.26 -3.47 116.57 113.24 1ttv h LYS 60 Ca -0.10 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.42 1ttv h LYS 60 Cb 0.79 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.50 1ttv h LYS 60 CO 0.17 0.10 -0.24 0.94 -2.06 0.00 0.00 179.45 178.36 1ttv n GLN 61 N -3.54 -0.79 0.00 3.15 -0.06 0.29 -4.98 117.38 111.45 1ttv n GLN 61 Ca -0.02 0.53 0.11 0.00 -2.00 0.00 0.00 57.00 55.62 1ttv n GLN 61 Cb 0.23 -3.25 0.06 0.00 -4.06 0.00 0.00 30.24 23.22 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 -1.92 0.93 -4.85 1.69 4.77 -0.88 -4.95 117.00 111.80 1ttv n LEU 62 Ca -0.02 -0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.31 1ttv n LEU 62 Cb 0.53 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1ttv n LEU 62 CO 0.23 0.21 0.69 -0.72 -1.33 0.00 0.00 177.39 176.48 1ttv s TYR 63 N -2.91 3.47 0.09 -1.77 -0.85 -1.26 -2.57 117.35 111.55 1ttv s TYR 63 Ca 0.11 1.43 -0.11 0.00 -0.52 0.00 0.00 57.07 57.99 1ttv s TYR 63 Cb 0.17 -2.78 -0.06 0.00 0.38 0.00 0.00 41.96 39.67 1ttv s TYR 63 CO 0.75 -0.46 0.42 0.34 -1.52 0.00 0.00 175.55 175.09 1ttv s ASP 64 N -3.28 6.67 0.10 -0.18 -1.08 -0.77 -4.92 116.67 113.22 1ttv s ASP 64 Ca 0.58 0.84 -0.24 0.00 -0.52 0.00 0.00 52.55 53.21 1ttv s ASP 64 Cb -0.10 -2.20 -0.10 0.00 -1.46 0.00 0.00 42.92 39.06 1ttv s ASP 64 CO 0.36 0.16 1.69 -0.33 0.52 0.00 0.00 175.17 177.57 1ttv h GLU 65 N 3.70 -0.22 0.00 4.34 5.08 -1.97 -3.27 114.58 122.24 1ttv h GLU 65 Ca -0.49 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1ttv h GLU 65 Cb 1.19 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ttv h GLU 65 CO 0.66 -0.15 0.00 0.36 -1.00 0.00 0.00 179.01 178.88 1ttv n LYS 66 N -5.24 0.00 -3.45 2.33 2.85 -1.26 -4.38 118.16 109.01 1ttv n LYS 66 Ca -0.06 0.41 -0.38 0.00 -1.05 0.00 0.00 58.31 57.23 1ttv n LYS 66 Cb 0.17 -1.07 -0.09 0.00 -0.65 0.00 0.00 35.03 33.38 1ttv n LYS 66 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1ttv s GLN 67 N -1.30 4.09 0.44 -1.58 -1.52 -1.23 -4.95 119.66 113.60 1ttv s GLN 67 Ca 0.00 0.02 0.27 0.00 -1.95 0.00 0.00 55.36 53.70 1ttv s GLN 67 Cb 0.00 -3.59 0.75 0.00 -0.22 0.00 0.00 33.01 29.95 1ttv s GLN 67 CO 0.00 -0.11 1.75 1.96 -0.25 0.00 0.00 175.29 178.64 1ttv h GLN 68 N 7.74 0.00 -0.59 2.91 7.50 -1.76 -2.96 115.11 127.94 1ttv h GLN 68 Ca -0.35 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.80 1ttv h GLN 68 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.69 1ttv h GLN 68 CO 0.67 0.00 0.00 -2.39 -1.50 0.00 0.00 178.83 175.61 1ttv n HIS 69 N -2.94 0.98 -4.73 2.96 1.44 -1.26 -4.81 115.22 106.86 1ttv n HIS 69 Ca 0.03 -0.41 -0.33 0.00 -2.01 0.00 0.00 57.72 55.00 1ttv n HIS 69 Cb 0.43 -0.13 -0.13 0.00 0.12 0.00 0.00 29.99 30.27 1ttv n HIS 69 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ttv s ILE 70 N -1.61 3.25 -0.33 0.61 -1.09 -1.12 -1.10 121.20 119.80 1ttv s ILE 70 Ca 0.37 -0.61 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1ttv s ILE 70 Cb 0.22 -2.35 0.10 0.00 -1.58 0.00 0.00 42.46 38.85 1ttv s ILE 70 CO 0.20 0.54 0.10 -0.69 -1.23 0.00 0.00 174.94 173.86 1ttv s VAL 71 N 0.03 1.43 -0.34 2.92 1.01 -0.65 -1.84 120.40 122.97 1ttv s VAL 71 Ca -0.03 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.11 1ttv s VAL 71 Cb -0.14 -2.06 0.10 0.00 0.00 0.00 0.00 36.38 34.28 1ttv s VAL 71 CO 0.04 -0.67 0.10 -1.38 0.00 0.00 0.00 175.10 173.19 1ttv s HIS 72 N 1.24 2.52 -0.28 5.22 -3.43 -1.06 -1.19 115.29 118.30 1ttv s HIS 72 Ca 0.11 -2.30 -0.01 0.00 -0.80 0.00 0.00 55.06 52.06 1ttv s HIS 72 Cb -0.19 -2.20 0.09 0.00 -1.43 0.00 0.00 32.58 28.85 1ttv s HIS 72 CO -0.17 -0.89 0.06 0.00 -2.00 0.00 0.00 174.74 171.74 1ttv h SER 74 N 8.06 0.22 -3.34 0.00 4.64 -1.93 -3.32 113.55 117.88 1ttv h SER 74 Ca -0.14 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.43 1ttv h SER 74 Cb 1.04 -0.04 -0.23 0.00 -0.31 0.00 0.00 62.40 62.85 1ttv h SER 74 CO 0.45 0.16 0.20 0.54 -0.87 0.00 0.00 176.83 177.31 1ttv s ASN 75 N -5.37 6.59 -0.28 4.97 4.22 -1.26 -4.78 114.94 119.03 1ttv s ASN 75 Ca -0.13 -2.29 -0.20 0.00 -2.14 0.00 0.00 52.86 48.10 1ttv s ASN 75 Cb 0.09 -2.26 0.09 0.00 1.28 0.00 0.00 41.25 40.45 1ttv s ASN 75 CO 0.70 -0.77 0.76 -0.62 -2.04 0.00 0.00 177.10 175.13 1ttv s ASP 76 N 2.82 -0.78 0.55 3.54 2.15 -1.25 -5.03 116.67 118.67 1ttv s ASP 76 Ca 0.18 1.36 0.26 0.00 0.43 0.00 0.00 52.55 54.78 1ttv s ASP 76 Cb -0.13 1.35 1.45 0.00 -0.30 0.00 0.00 42.92 45.29 1ttv s ASP 76 CO -0.06 -0.22 2.00 -0.65 -0.17 0.00 0.00 175.17 176.07 1ttv h PRO 77 N 5.90 0.00 -0.04 4.34 0.11 -1.93 -1.29 132.00 139.10 1ttv h PRO 77 Ca -0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1ttv h PRO 77 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ttv h PRO 77 CO 0.12 0.00 -0.07 1.25 -0.21 0.00 0.00 178.00 179.09 1ttv h LEU 78 N 0.00 0.13 -0.69 2.35 5.85 -1.95 -2.55 115.31 118.45 1ttv h LEU 78 Ca 0.22 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1ttv h LEU 78 Cb 0.94 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1ttv h LEU 78 CO -0.00 0.66 0.42 1.23 -0.34 0.00 0.00 178.44 180.41 1ttv h GLY 79 N -0.39 1.00 2.00 3.75 0.00 -1.47 -0.50 103.07 107.46 1ttv h GLY 79 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1ttv h GLY 79 CO 0.02 0.25 -0.15 1.05 0.00 0.00 0.00 176.54 177.71 1ttv h GLU 80 N 0.82 0.00 0.24 4.80 -0.00 -1.43 0.11 114.58 119.12 1ttv h GLU 80 Ca 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.63 1ttv h GLU 80 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.80 1ttv h GLU 80 CO -0.12 0.15 -0.11 1.25 -0.00 0.00 0.00 179.01 180.18 1ttv h LEU 81 N 0.00 -0.27 -2.00 3.06 5.85 -0.70 -3.30 115.31 117.94 1ttv h LEU 81 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ttv h LEU 81 Cb 0.40 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1ttv h LEU 81 CO 0.02 0.12 -0.09 -0.26 -0.34 0.00 0.00 178.44 177.89 1ttv h PHE 82 N -0.94 0.00 -0.10 1.25 0.04 -1.19 -3.46 116.94 112.54 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 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1ttv h PHE 82 CO 0.01 0.09 0.00 0.41 -0.60 0.00 0.00 178.31 178.22 1ttv n GLY 83 N -1.05 0.96 3.27 -1.45 0.00 0.32 -5.08 105.19 102.15 1ttv n GLY 83 Ca -0.02 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.10 0.06 -0.30 1.61 -7.23 -0.71 -5.03 120.40 106.71 1ttv s VAL 84 Ca 0.00 -0.51 0.10 0.00 -1.81 0.00 0.00 61.98 59.76 1ttv s VAL 84 Cb 0.00 -0.77 0.58 0.00 0.56 0.00 0.00 36.38 36.75 1ttv s VAL 84 CO 0.00 -0.28 1.59 0.00 -0.31 0.00 0.00 175.10 176.09 1ttv n GLN 85 N 0.95 2.46 0.00 4.82 1.13 -1.26 -4.42 117.38 121.07 1ttv n GLN 85 Ca -0.20 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 51.79 1ttv n GLN 85 Cb 0.57 -1.95 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1ttv n GLN 85 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1ttv n GLU 86 N -0.83 0.00 -3.63 -1.09 0.28 -1.26 -3.58 120.64 110.53 1ttv n GLU 86 Ca 0.36 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.25 1ttv n GLU 86 Cb 1.17 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.97 1ttv n GLU 86 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1ttv s PHE 87 N 0.00 -0.79 0.12 -1.84 -0.12 -0.33 -4.97 117.98 110.06 1ttv s PHE 87 Ca 0.00 1.82 -0.15 0.00 -0.05 0.00 0.00 56.93 58.54 1ttv s PHE 87 Cb 0.00 0.36 -0.07 0.00 -0.63 0.00 0.00 43.02 42.69 1ttv s PHE 87 CO 0.00 -0.38 0.55 -1.54 -0.05 0.00 0.00 175.22 173.79 1ttv s SER 88 N 0.66 6.88 -0.02 1.98 1.04 -1.26 -1.63 113.70 121.34 1ttv s SER 88 Ca -0.02 1.11 0.09 0.00 0.48 0.00 0.00 55.95 57.62 1ttv s SER 88 Cb -0.05 -2.30 0.30 0.00 0.10 0.00 0.00 66.02 64.07 1ttv s SER 88 CO -0.05 0.15 1.21 1.33 0.98 0.00 0.00 173.24 176.86 1ttv n VAL 89 N 1.05 0.57 0.07 5.02 0.24 -0.26 -3.87 118.33 121.16 1ttv n VAL 89 Ca -0.07 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.63 1ttv n VAL 89 Cb 0.52 0.11 -0.14 0.00 -1.47 0.00 0.00 33.84 32.86 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 1.89 0.17 -3.78 7.34 3.64 -1.94 -3.38 116.57 120.50 1ttv h LYS 90 Ca 0.00 -0.28 -0.78 0.00 -1.27 0.00 0.00 60.65 58.32 1ttv h LYS 90 Cb 0.56 0.11 -0.23 0.00 -0.41 0.00 0.00 32.23 32.25 1ttv h LYS 90 CO 0.04 1.06 0.98 0.39 -2.27 0.00 0.00 179.45 179.65 1ttv n GLU 91 N -3.41 3.68 0.06 1.90 1.02 -1.25 -4.83 120.64 117.80 1ttv n GLU 91 Ca -0.10 -4.18 0.20 0.00 -0.02 0.00 0.00 57.16 53.06 1ttv n GLU 91 Cb 1.01 -2.73 0.73 0.00 -0.02 0.00 0.00 31.44 30.43 1ttv n GLU 91 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ttv h HIS 92 N 6.45 0.00 -0.52 -0.32 3.86 -1.88 -1.28 115.15 121.46 1ttv h HIS 92 Ca 0.25 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.49 1ttv h HIS 92 Cb 0.79 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.23 1ttv h HIS 92 CO 0.96 0.00 0.30 0.00 0.86 0.00 0.00 177.93 180.06 1ttv h ARG 93 N 0.00 0.58 0.12 2.45 3.08 -1.97 0.72 114.38 119.37 1ttv h ARG 93 Ca 0.21 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1ttv h ARG 93 Cb 0.94 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1ttv h ARG 93 CO -0.00 0.39 -0.06 -0.09 -1.07 0.00 0.00 179.97 179.14 1ttv h ARG 94 N 0.60 -0.15 0.16 0.04 2.43 -1.64 -2.63 114.38 113.18 1ttv h ARG 94 Ca 0.21 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1ttv h ARG 94 Cb 0.05 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ttv h ARG 94 CO -0.11 0.12 -0.08 0.82 -1.51 0.00 0.00 179.97 179.22 1ttv h ILE 95 N -0.42 0.93 -1.02 1.20 2.04 -1.43 -2.49 117.51 116.32 1ttv h ILE 95 Ca -0.02 -0.36 0.29 0.00 1.00 0.00 0.00 64.86 65.77 1ttv h ILE 95 Cb 0.34 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1ttv h ILE 95 CO 0.03 0.09 0.73 0.22 0.00 0.00 0.00 178.15 179.21 1ttv h TYR 96 N -0.38 0.02 0.12 1.37 5.03 0.41 0.12 116.97 123.66 1ttv h TYR 96 Ca -0.02 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.28 1ttv h TYR 96 Cb 0.30 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.58 1ttv h TYR 96 CO -0.01 0.00 -0.06 0.00 -1.32 0.00 0.00 178.16 176.77 1ttv h ALA 97 N 1.49 -0.16 -0.98 1.82 0.00 -1.13 -2.79 119.26 117.51 1ttv h ALA 97 Ca 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ttv h ALA 97 Cb 1.93 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1ttv h ALA 97 CO -0.01 -0.18 0.62 0.00 0.00 0.00 0.00 179.25 179.67 1ttv h MET 98 N -0.98 1.30 -0.17 0.00 -0.00 -0.93 -1.85 114.93 112.30 1ttv h MET 98 Ca -0.02 -0.10 -0.07 0.00 -0.00 0.00 0.00 59.70 59.51 1ttv h MET 98 Cb 0.41 -0.28 -0.01 0.00 -0.00 0.00 0.00 31.60 31.72 1ttv h MET 98 CO 0.03 0.89 -0.21 -0.84 -0.00 0.00 0.00 176.91 176.78 1ttv h ILE 99 N 1.33 1.23 -0.14 -0.10 -0.00 -0.92 -2.54 117.51 116.37 1ttv h ILE 99 Ca 0.35 -1.05 -0.15 0.00 -0.00 0.00 0.00 64.86 64.01 1ttv h ILE 99 Cb -0.11 1.33 -0.01 0.00 -0.00 0.00 0.00 36.82 38.04 1ttv h ILE 99 CO -0.07 0.33 -0.57 -1.28 -0.00 0.00 0.00 178.15 176.56 1ttv h SER 100 N 0.28 0.47 0.62 2.16 0.87 -1.09 -2.76 113.55 114.10 1ttv h SER 100 Ca 0.05 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1ttv h SER 100 Cb 0.53 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1ttv h SER 100 CO 0.04 0.94 0.00 0.54 -0.53 0.00 0.00 176.83 177.81 1ttv n ARG 101 N -3.93 0.29 -0.48 2.24 1.74 -0.77 -3.22 116.66 112.53 1ttv n ARG 101 Ca -0.03 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 1ttv n ARG 101 Cb 0.60 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.77 1ttv n ARG 101 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1ttv n ASN 102 N -1.34 3.55 -4.37 0.55 3.02 -0.99 -4.82 115.26 110.86 1ttv n ASN 102 Ca 0.11 -2.49 -0.38 0.00 -0.03 0.00 0.00 54.58 51.79 1ttv n ASN 102 Cb 0.24 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 38.70 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 -1.50 4.11 0.00 3.41 1.43 -1.20 0.11 118.68 125.05 1ttv s LEU 103 Ca 0.30 -0.73 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1ttv s LEU 103 Cb 0.23 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1ttv s LEU 103 CO 0.09 -0.23 0.77 -0.37 0.23 0.00 0.00 176.35 176.84 1ttv h VAL 104 N 5.83 0.00 -3.37 -1.59 -1.51 -0.43 -3.45 116.25 111.72 1ttv h VAL 104 Ca -0.30 -0.10 -0.67 0.00 -1.23 0.00 0.00 66.70 64.39 1ttv h VAL 104 Cb 1.13 0.00 -0.14 0.00 -2.13 0.00 0.00 31.29 30.14 1ttv h VAL 104 CO 0.62 0.00 -0.64 -0.94 -1.23 0.00 0.00 177.57 175.38 1ttv s SER 105 N -3.01 5.12 -0.18 4.19 1.04 -1.18 -4.98 113.70 114.71 1ttv s SER 105 Ca -0.04 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.41 1ttv s SER 105 Cb 0.00 -1.37 -0.01 0.00 0.10 0.00 0.00 66.02 64.75 1ttv s SER 105 CO 0.12 0.32 -0.08 0.00 0.98 0.00 0.00 173.24 174.57 1ttv s ALA 106 N -1.00 2.73 -0.13 5.32 0.00 -1.26 0.10 121.76 127.52 1ttv s ALA 106 Ca 0.17 -1.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 1ttv s ALA 106 Cb -0.11 -1.49 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1ttv s ALA 106 CO 0.07 -0.15 0.13 1.21 0.00 0.00 0.00 175.76 177.01 1ttv s ASN 107 N 1.01 6.27 0.21 0.00 3.84 -1.08 -4.97 114.94 120.23 1ttv s ASN 107 Ca -0.00 0.41 0.08 0.00 0.21 0.00 0.00 52.86 53.56 1ttv s ASN 107 Cb -0.15 -2.03 -0.05 0.00 -0.55 0.00 0.00 41.25 38.48 1ttv s ASN 107 CO -0.01 0.38 -0.15 0.54 -2.79 0.00 0.00 177.10 175.07 1ttv s VAL 108 N -0.82 1.79 -0.56 -5.21 0.11 -1.26 -3.83 120.40 110.61 1ttv s VAL 108 Ca 0.14 -2.20 -0.27 0.00 -2.93 0.00 0.00 61.98 56.71 1ttv s VAL 108 Cb -0.12 -2.04 -0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1ttv s VAL 108 CO 0.03 -0.57 1.61 -0.54 -3.33 0.00 0.00 175.10 172.30 1ttv s LYS 109 N -3.58 3.06 0.21 1.54 1.02 -1.26 -4.94 119.74 115.80 1ttv s LYS 109 Ca 0.22 0.58 -0.11 0.00 0.02 0.00 0.00 55.97 56.68 1ttv s LYS 109 Cb -0.01 -4.23 -0.01 0.00 -0.52 0.00 0.00 37.83 33.06 1ttv s LYS 109 CO 0.07 -2.22 0.39 -1.21 -0.92 0.00 0.00 175.35 171.46 1ttv s GLU 110 N 6.08 1.39 -0.58 1.68 0.41 -1.26 -5.11 118.70 121.32 1ttv s GLU 110 Ca 0.60 -1.24 -0.28 0.00 -0.41 0.00 0.00 54.97 53.64 1ttv s GLU 110 Cb -0.13 0.43 0.01 0.00 -1.78 0.00 0.00 34.13 32.66 1ttv s GLU 110 CO 0.24 -0.55 1.47 -1.54 -0.49 0.00 0.00 175.26 174.39 1ttv s SER 111 N -3.01 6.02 -0.33 -0.19 1.04 -1.26 -4.96 113.70 111.02 1ttv s SER 111 Ca 0.22 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1ttv s SER 111 Cb 0.01 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.68 1ttv s SER 111 CO 0.06 -1.80 0.05 -0.44 0.98 0.00 0.00 173.24 172.09 1ttv s SER 112 N 4.87 4.54 0.24 7.02 0.01 -1.26 -5.11 113.70 124.01 1ttv s SER 112 Ca 0.53 -1.96 -0.25 0.00 1.31 0.00 0.00 55.95 55.58 1ttv s SER 112 Cb -0.11 -1.42 -0.09 0.00 0.21 0.00 0.00 66.02 64.61 1ttv s SER 112 CO 0.24 -0.38 0.85 -1.83 0.41 0.00 0.00 173.24 172.53 1ttv s GLU 113 N 1.11 4.55 0.19 12.44 -1.05 -1.26 -5.06 118.70 129.62 1ttv s GLU 113 Ca 0.09 1.20 -0.09 0.00 -0.15 0.00 0.00 54.97 56.03 1ttv s GLU 113 Cb -0.19 -3.03 -0.07 0.00 -0.44 0.00 0.00 34.13 30.41 1ttv s GLU 113 CO -0.12 0.43 0.50 0.34 0.95 0.00 0.00 175.26 177.36 1ttv s ASP 114 N -1.42 6.61 -0.41 0.83 -1.08 -1.26 -5.06 116.67 114.88 1ttv s ASP 114 Ca 0.43 0.84 -0.05 0.00 -0.52 0.00 0.00 52.55 53.25 1ttv s ASP 114 Cb -0.21 -2.19 0.10 0.00 -1.46 0.00 0.00 42.92 39.16 1ttv s ASP 114 CO 0.25 -0.02 0.22 -0.63 0.52 0.00 0.00 175.17 175.51 1ttv s ILE 115 N -1.73 3.61 -0.41 4.11 1.01 -1.26 -4.91 121.20 121.61 1ttv s ILE 115 Ca 0.44 -1.79 0.15 0.00 0.00 0.00 0.00 60.65 59.46 1ttv s ILE 115 Cb -0.12 -3.35 0.70 0.00 0.01 0.00 0.00 42.46 39.70 1ttv s ILE 115 CO 0.22 -0.60 1.62 0.33 0.00 0.00 0.00 174.94 176.51 1ttv n PHE 116 N 4.72 1.60 -2.09 3.97 -0.00 -1.26 -4.93 117.46 119.48 1ttv n PHE 116 Ca -0.06 -0.74 -0.18 0.00 -0.00 0.00 0.00 57.45 56.47 1ttv n PHE 116 Cb 0.42 -0.39 -0.03 0.00 -0.00 0.00 0.00 39.48 39.47 1ttv n PHE 116 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ttv n GLY 117 N 0.39 0.32 3.21 7.13 0.00 -1.26 -4.95 105.19 110.03 1ttv n GLY 117 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.22 3.68 0.00 1.61 0.02 -1.26 -5.35 114.94 111.42 1ttv s ASN 118 Ca 0.00 -0.54 0.00 0.00 -1.02 0.00 0.00 52.86 51.30 1ttv s ASN 118 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 41.25 39.67 1ttv s ASN 118 CO 0.00 -0.01 0.11 1.33 0.02 0.00 0.00 177.10 178.55