#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hth n ASP 6 N 0.00 -0.80 -0.12 4.39 -0.08 -1.26 -5.08 116.55 113.60 3hth n ASP 6 Ca 0.00 -1.56 0.12 0.00 -1.51 0.00 0.00 54.79 51.84 3hth n ASP 6 Cb 0.00 0.54 0.22 0.00 2.34 0.00 0.00 41.12 44.21 3hth n ASP 6 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3hth n PRO 7 N -0.51 -0.02 -0.04 -0.67 -0.02 -1.26 -2.17 135.00 130.31 3hth n PRO 7 Ca -0.13 0.50 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 3hth n PRO 7 Cb 0.65 -0.90 -0.13 0.00 -0.02 0.00 0.00 33.50 33.10 3hth n PRO 7 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hth n GLU 8 N -3.79 0.69 -0.35 -0.52 2.13 -1.26 0.17 120.64 117.71 3hth n GLU 8 Ca 0.14 0.36 0.06 0.00 0.66 0.00 0.00 57.16 58.38 3hth n GLU 8 Cb 0.47 -1.71 0.23 0.00 0.27 0.00 0.00 31.44 30.70 3hth n GLU 8 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3hth h ARG 9 N -0.31 1.01 -0.13 5.31 9.65 -1.90 -1.55 114.38 126.46 3hth h ARG 9 Ca -0.41 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.39 3hth h ARG 9 Cb 1.78 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 30.13 3hth h ARG 9 CO -0.03 0.67 0.01 -0.09 2.80 0.00 0.00 179.97 183.33 3hth h ARG 10 N 1.04 0.22 -0.59 0.20 2.43 -0.89 -2.40 114.38 114.39 3hth h ARG 10 Ca 0.46 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 3hth h ARG 10 Cb 0.37 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 3hth h ARG 10 CO -0.22 0.43 0.38 0.37 -1.51 0.00 0.00 179.97 179.42 3hth h GLN 11 N -0.03 0.78 -0.54 0.20 5.75 0.19 -1.70 115.11 119.77 3hth h GLN 11 Ca 0.04 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.51 3hth h GLN 11 Cb 0.33 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 3hth h GLN 11 CO 0.00 0.54 0.31 0.00 -2.65 0.00 0.00 178.83 177.03 3hth h ARG 12 N 0.80 0.60 -0.46 1.69 3.08 -1.25 -1.92 114.38 116.91 3hth h ARG 12 Ca 0.21 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.27 3hth h ARG 12 Cb -0.06 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 3hth h ARG 12 CO -0.04 0.39 0.22 0.82 -1.07 0.00 0.00 179.97 180.29 3hth h ILE 13 N 0.61 0.94 0.14 2.04 2.04 -0.89 -0.90 117.51 121.49 3hth h ILE 13 Ca 0.22 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 3hth h ILE 13 Cb 0.05 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3hth h ILE 13 CO -0.11 0.08 -0.07 0.40 0.00 0.00 0.00 178.15 178.45 3hth h ILE 14 N 0.43 0.88 -0.91 -0.67 2.04 -0.98 -0.78 117.51 117.53 3hth h ILE 14 Ca 0.20 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 66.13 3hth h ILE 14 Cb 0.13 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 3hth h ILE 14 CO -0.16 0.02 0.52 0.44 0.00 0.00 0.00 178.15 178.97 3hth h ASP 15 N -0.22 0.68 0.82 1.72 3.32 -1.04 0.26 116.42 121.96 3hth h ASP 15 Ca -0.02 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3hth h ASP 15 Cb 0.18 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3hth h ASP 15 CO 0.03 0.30 -0.24 0.00 -1.72 0.00 0.00 179.24 177.62 3hth h ALA 16 N 1.56 1.06 -0.06 3.45 0.00 -0.84 0.68 119.26 125.11 3hth h ALA 16 Ca 0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hth h ALA 16 Cb 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3hth h ALA 16 CO -0.33 0.30 -0.07 0.00 0.00 0.00 0.00 179.25 179.14 3hth h ALA 17 N 1.76 0.09 -0.57 0.00 0.00 0.96 0.31 119.26 121.82 3hth h ALA 17 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hth h ALA 17 Cb 0.72 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3hth h ALA 17 CO 0.03 -0.09 0.35 0.82 0.00 0.00 0.00 179.25 180.36 3hth h ILE 18 N -0.29 1.16 -0.62 0.00 2.04 -0.93 0.11 117.51 118.99 3hth h ILE 18 Ca 0.01 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3hth h ILE 18 Cb 0.59 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 3hth h ILE 18 CO 0.02 0.17 0.27 0.03 0.00 0.00 0.00 178.15 178.63 3hth h ARG 19 N 0.77 0.91 -0.58 2.37 3.08 -0.78 -1.68 114.38 118.46 3hth h ARG 19 Ca 0.20 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3hth h ARG 19 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3hth h ARG 19 CO -0.04 0.75 0.10 0.28 -1.07 0.00 0.00 179.97 179.99 3hth h VAL 20 N 0.85 1.26 0.22 2.04 2.07 0.20 -2.63 116.25 120.27 3hth h VAL 20 Ca 0.21 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3hth h VAL 20 Cb 0.16 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3hth h VAL 20 CO -0.02 0.36 -0.11 0.58 0.02 0.00 0.00 177.57 178.40 3hth h VAL 21 N 0.86 0.84 -0.55 2.57 2.07 -0.60 0.12 116.25 121.56 3hth h VAL 21 Ca 0.18 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.45 3hth h VAL 21 Cb 0.41 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 3hth h VAL 21 CO 0.01 0.08 0.38 1.23 0.02 0.00 0.00 177.57 179.29 3hth h GLY 22 N -0.48 0.41 0.00 2.17 0.00 -1.32 1.28 103.07 105.13 3hth h GLY 22 Ca -0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3hth h GLY 22 CO 0.05 0.07 -0.56 -1.61 0.00 0.00 0.00 176.54 174.49 3hth h GLN 23 N 0.28 0.00 -0.01 4.80 5.75 -1.25 -3.41 115.11 121.27 3hth h GLN 23 Ca 0.26 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 3hth h GLN 23 Cb 0.64 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.19 3hth h GLN 23 CO -0.06 0.70 -0.27 1.63 -2.65 0.00 0.00 178.83 178.18 3hth n LYS 24 N -4.57 1.92 -0.08 1.69 4.01 0.42 -5.11 118.16 116.44 3hth n LYS 24 Ca -0.17 -0.68 0.01 0.00 -0.51 0.00 0.00 58.31 56.96 3hth n LYS 24 Cb 0.45 -1.17 -0.00 0.00 -0.51 0.00 0.00 35.03 33.80 3hth n LYS 24 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hth n GLY 25 N 1.01 -2.32 0.46 0.72 0.00 0.44 -3.53 105.19 101.97 3hth n GLY 25 Ca 0.05 -1.45 0.23 0.00 0.00 0.00 0.00 46.02 44.85 3hth n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hth h ILE 26 N -0.08 0.13 0.00 -0.61 2.04 -1.90 1.03 117.51 118.12 3hth h ILE 26 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3hth h ILE 26 Cb 0.08 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3hth h ILE 26 CO 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 178.15 177.68 3hth h ALA 27 N 0.90 0.88 -0.88 1.87 0.00 -1.95 -3.08 119.26 117.01 3hth h ALA 27 Ca 0.34 -0.43 -0.48 0.00 0.00 0.00 0.00 54.91 54.34 3hth h ALA 27 Cb 2.10 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 19.55 3hth h ALA 27 CO -0.00 0.59 0.61 0.41 0.00 0.00 0.00 179.25 180.85 3hth n GLY 28 N 0.50 4.39 3.08 0.00 0.00 0.35 -4.82 105.19 108.70 3hth n GLY 28 Ca 0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 3hth n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hth s LEU 29 N -2.98 5.10 0.31 0.99 2.96 -1.16 -4.82 118.68 119.07 3hth s LEU 29 Ca 0.51 -2.54 0.04 0.00 -0.22 0.00 0.00 54.13 51.93 3hth s LEU 29 Cb 0.43 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 45.25 3hth s LEU 29 CO 0.08 -0.42 0.04 -0.94 -1.32 0.00 0.00 176.35 173.80 3hth s SER 30 N 0.99 2.31 0.29 3.68 1.04 -1.26 -5.04 113.70 115.71 3hth s SER 30 Ca 0.13 -1.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 3hth s SER 30 Cb -0.22 -0.07 0.44 0.00 0.10 0.00 0.00 66.02 66.27 3hth s SER 30 CO -0.04 -0.57 1.87 0.45 0.98 0.00 0.00 173.24 175.93 3hth h HIS 31 N 2.18 0.86 -0.71 5.02 3.86 -1.99 -1.54 115.15 122.84 3hth h HIS 31 Ca -0.40 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 58.70 3hth h HIS 31 Cb 1.24 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.42 3hth h HIS 31 CO 0.58 0.68 0.24 0.07 0.86 0.00 0.00 177.93 180.36 3hth h ARG 32 N 0.84 1.07 0.00 2.45 -0.00 -1.96 0.94 114.38 117.72 3hth h ARG 32 Ca 0.20 -0.21 -0.19 0.00 -0.00 0.00 0.00 59.98 59.78 3hth h ARG 32 Cb 0.20 -0.17 -0.03 0.00 -0.00 0.00 0.00 29.97 29.97 3hth h ARG 32 CO -0.01 0.90 -0.89 1.79 -0.00 0.00 0.00 179.97 181.75 3hth h THR 33 N 1.04 1.62 -0.09 0.08 1.35 -1.85 -0.26 112.91 114.80 3hth h THR 33 Ca 0.23 -3.09 -0.21 0.00 -0.55 0.00 0.00 66.41 62.79 3hth h THR 33 Cb 0.26 2.68 0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3hth h THR 33 CO -0.01 0.88 -0.81 0.58 -0.25 0.00 0.00 175.52 175.90 3hth h VAL 34 N 0.00 1.33 -0.42 6.82 2.07 -1.12 0.13 116.25 125.05 3hth h VAL 34 Ca -0.01 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3hth h VAL 34 Cb 1.60 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.48 3hth h VAL 34 CO 0.12 0.65 0.27 0.00 0.02 0.00 0.00 177.57 178.63 3hth h ALA 35 N 0.70 0.54 0.68 1.67 0.00 -0.71 0.11 119.26 122.25 3hth h ALA 35 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hth h ALA 35 Cb 1.42 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hth h ALA 35 CO 0.15 0.01 -0.33 0.00 0.00 0.00 0.00 179.25 179.09 3hth h ALA 36 N 1.13 -0.91 -0.12 0.00 0.00 -0.89 0.31 119.26 118.79 3hth h ALA 36 Ca 0.15 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hth h ALA 36 Cb -0.03 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hth h ALA 36 CO -0.03 -0.92 0.09 0.93 0.00 0.00 0.00 179.25 179.32 3hth h GLU 37 N -1.11 0.00 0.00 0.00 4.39 -0.65 -0.39 114.58 116.82 3hth h GLU 37 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3hth h GLU 37 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3hth h GLU 37 CO 0.15 0.00 -0.78 0.00 -1.16 0.00 0.00 179.01 177.22 3hth h ALA 38 N 1.93 0.59 -5.71 3.43 0.00 -0.67 -3.46 119.26 115.38 3hth h ALA 38 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.62 3hth h ALA 38 Cb 0.23 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.18 3hth h ALA 38 CO -0.00 0.00 -0.78 -3.47 0.00 0.00 0.00 179.25 175.00 3hth n ASP 39 N -2.67 -1.91 -4.33 0.00 2.03 0.11 -4.90 116.55 104.87 3hth n ASP 39 Ca 0.01 -0.65 -0.17 0.00 0.52 0.00 0.00 54.79 54.50 3hth n ASP 39 Cb 0.53 -4.98 -0.10 0.00 -0.72 0.00 0.00 41.12 35.85 3hth n ASP 39 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hth s VAL 40 N -3.40 1.27 0.28 5.18 -7.23 -0.91 -5.05 120.40 110.54 3hth s VAL 40 Ca 0.00 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 3hth s VAL 40 Cb -0.00 -2.20 -0.10 0.00 0.56 0.00 0.00 36.38 34.64 3hth s VAL 40 CO 0.74 -0.46 1.17 -2.84 -0.31 0.00 0.00 175.10 173.40 3hth s PRO 41 N -3.78 4.55 0.30 4.82 0.02 -1.26 -4.59 135.00 135.06 3hth s PRO 41 Ca 0.25 1.92 0.03 0.00 0.02 0.00 0.00 61.00 63.22 3hth s PRO 41 Cb 0.04 -3.17 0.77 0.00 0.02 0.00 0.00 34.50 32.17 3hth s PRO 41 CO 0.07 0.07 1.61 1.25 -0.33 0.00 0.00 177.00 179.67 3hth h LEU 42 N 3.90 -0.20 -2.07 -5.54 6.46 -1.91 0.25 115.31 116.19 3hth h LEU 42 Ca -0.47 0.24 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 3hth h LEU 42 Cb 1.22 0.37 -0.00 0.00 -0.73 0.00 0.00 40.66 41.51 3hth h LEU 42 CO 0.68 -0.27 0.06 1.23 -0.62 0.00 0.00 178.44 179.51 3hth h GLY 43 N 0.09 0.00 1.72 3.75 0.00 -1.98 -1.22 103.07 105.44 3hth h GLY 43 Ca 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.79 3hth h GLY 43 CO -0.78 0.00 -0.51 1.76 0.00 0.00 0.00 176.54 177.01 3hth h SER 44 N 0.00 0.32 0.07 0.19 0.02 -0.88 -0.17 113.55 113.10 3hth h SER 44 Ca 0.04 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3hth h SER 44 Cb 0.16 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3hth h SER 44 CO -0.00 0.77 -0.03 0.71 -1.14 0.00 0.00 176.83 177.14 3hth h THR 45 N 0.23 1.23 0.00 -2.27 1.35 -1.19 -2.11 112.91 110.15 3hth h THR 45 Ca 0.01 -1.20 -0.01 0.00 -0.55 0.00 0.00 66.41 64.66 3hth h THR 45 Cb 0.97 1.99 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 3hth h THR 45 CO 0.08 0.29 -0.07 0.71 -0.25 0.00 0.00 175.52 176.28 3hth h THR 46 N -0.65 0.29 -0.03 6.82 1.35 -1.41 -0.92 112.91 118.36 3hth h THR 46 Ca -0.01 -0.45 -0.04 0.00 -0.55 0.00 0.00 66.41 65.37 3hth h THR 46 Cb 0.54 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3hth h THR 46 CO 0.02 0.07 -0.13 0.22 -0.25 0.00 0.00 175.52 175.45 3hth h TYR 47 N 0.00 0.18 0.00 4.73 3.20 -0.93 -3.25 116.97 120.91 3hth h TYR 47 Ca -0.00 -0.08 -0.16 0.00 3.14 0.00 0.00 58.73 61.63 3hth h TYR 47 Cb 0.33 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3hth h TYR 47 CO 0.00 0.77 -0.75 0.45 -1.64 0.00 0.00 178.16 176.99 3hth h HIS 48 N -0.45 0.00 -2.78 -3.82 3.86 -1.07 -3.40 115.15 107.49 3hth h HIS 48 Ca -0.01 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.61 3hth h HIS 48 Cb 0.78 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.86 3hth h HIS 48 CO 0.15 0.75 -0.80 -0.06 0.86 0.00 0.00 177.93 178.83 3hth s PHE 49 N -2.95 1.24 0.18 2.45 0.40 -0.38 -4.97 117.98 113.95 3hth s PHE 49 Ca 0.02 -1.92 -0.14 0.00 -0.60 0.00 0.00 56.93 54.28 3hth s PHE 49 Cb 0.10 -1.33 0.16 0.00 0.51 0.00 0.00 43.02 42.45 3hth s PHE 49 CO 0.78 -0.81 1.69 0.00 0.70 0.00 0.00 175.22 177.57 3hth h ALA 50 N 7.00 0.43 -2.12 5.36 0.00 -1.78 -3.40 119.26 124.76 3hth h ALA 50 Ca 0.01 0.14 -0.52 0.00 0.00 0.00 0.00 54.91 54.55 3hth h ALA 50 Cb 0.96 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3hth h ALA 50 CO 0.36 -0.39 -0.54 0.95 0.00 0.00 0.00 179.25 179.64 3hth s THR 51 N -6.17 4.01 0.28 0.00 -4.23 -1.26 -4.95 115.64 103.31 3hth s THR 51 Ca -0.13 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 58.87 3hth s THR 51 Cb 0.15 -3.23 0.10 0.00 1.34 0.00 0.00 72.50 70.86 3hth s THR 51 CO 0.72 -0.31 1.76 -0.07 -0.54 0.00 0.00 174.62 176.18 3hth h LEU 52 N 1.53 0.61 -0.81 4.79 3.38 -1.98 -2.74 115.31 120.08 3hth h LEU 52 Ca -0.47 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.38 3hth h LEU 52 Cb 1.24 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3hth h LEU 52 CO 0.60 0.75 0.52 0.44 0.09 0.00 0.00 178.44 180.84 3hth h ASP 53 N 0.58 0.85 -0.46 -0.43 3.45 -1.96 -0.24 116.42 118.20 3hth h ASP 53 Ca 0.10 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.60 3hth h ASP 53 Cb 0.52 -0.18 -0.04 0.00 -0.56 0.00 0.00 39.33 39.07 3hth h ASP 53 CO 0.03 0.58 0.23 0.44 -1.57 0.00 0.00 179.24 178.95 3hth h ASP 54 N 0.99 0.34 -0.70 6.45 3.45 -1.87 0.41 116.42 125.50 3hth h ASP 54 Ca 0.33 0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.74 3hth h ASP 54 Cb 0.04 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 3hth h ASP 54 CO -0.13 0.24 0.15 0.25 -1.57 0.00 0.00 179.24 178.19 3hth h LEU 55 N 0.47 1.08 -0.31 1.55 5.85 -1.23 -1.54 115.31 121.18 3hth h LEU 55 Ca 0.20 -0.24 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 3hth h LEU 55 Cb 0.09 -0.29 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3hth h LEU 55 CO -0.13 1.05 -0.46 0.24 -0.34 0.00 0.00 178.44 178.80 3hth h MET 56 N 1.07 0.86 -0.95 1.25 2.86 -0.56 -1.60 114.93 117.87 3hth h MET 56 Ca 0.22 -0.51 0.02 0.00 -2.06 0.00 0.00 59.70 57.37 3hth h MET 56 Cb 0.40 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 3hth h MET 56 CO 0.01 1.15 0.62 0.28 1.06 0.00 0.00 176.91 180.03 3hth h VAL 57 N 0.65 1.21 -0.24 -2.22 2.07 -0.01 0.18 116.25 117.89 3hth h VAL 57 Ca 0.03 -0.43 -0.17 0.00 0.82 0.00 0.00 66.70 66.96 3hth h VAL 57 Cb 1.06 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3hth h VAL 57 CO 0.11 0.23 -0.53 0.00 0.02 0.00 0.00 177.57 177.40 3hth h ALA 58 N 1.37 0.62 0.29 1.67 0.00 -1.16 -1.48 119.26 120.57 3hth h ALA 58 Ca 0.36 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hth h ALA 58 Cb -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hth h ALA 58 CO -0.10 0.68 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 3hth h ALA 59 N 0.87 -0.39 -0.69 0.00 0.00 -0.65 -1.96 119.26 116.44 3hth h ALA 59 Ca 0.02 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hth h ALA 59 Cb 1.09 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 3hth h ALA 59 CO 0.11 -0.62 0.44 1.25 0.00 0.00 0.00 179.25 180.43 3hth h LEU 60 N -0.58 0.75 -1.21 0.00 5.85 -1.02 0.20 115.31 119.30 3hth h LEU 60 Ca -0.04 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.84 3hth h LEU 60 Cb 0.42 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 3hth h LEU 60 CO 0.06 0.53 0.60 -0.09 -0.34 0.00 0.00 178.44 179.20 3hth h ARG 61 N 0.88 0.68 0.05 1.25 9.65 -1.16 0.10 114.38 125.83 3hth h ARG 61 Ca 0.26 -0.04 -0.24 0.00 -1.10 0.00 0.00 59.98 58.86 3hth h ARG 61 Cb -0.04 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 3hth h ARG 61 CO -0.08 0.45 -1.05 0.37 2.80 0.00 0.00 179.97 182.46 3hth h GLN 62 N 0.70 0.31 -0.62 0.20 4.15 -0.40 -3.09 115.11 116.36 3hth h GLN 62 Ca 0.50 -0.41 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 3hth h GLN 62 Cb 0.83 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 3hth h GLN 62 CO -0.26 1.12 0.24 0.00 -1.93 0.00 0.00 178.83 178.01 3hth h ALA 63 N 0.72 1.26 -0.87 3.38 0.00 0.82 -2.19 119.26 122.39 3hth h ALA 63 Ca -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3hth h ALA 63 Cb 1.73 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3hth h ALA 63 CO 0.17 0.55 0.44 -0.91 0.00 0.00 0.00 179.25 179.50 3hth h ASN 64 N 0.90 1.11 -1.19 0.00 2.35 -1.15 -2.61 115.58 114.99 3hth h ASN 64 Ca 0.21 -0.12 0.36 0.00 -0.55 0.00 0.00 56.30 56.21 3hth h ASN 64 Cb 0.18 -0.28 -0.12 0.00 0.05 0.00 0.00 38.32 38.15 3hth h ASN 64 CO -0.02 0.91 0.77 -0.08 -1.65 0.00 0.00 177.43 177.36 3hth h GLU 65 N 1.22 0.20 0.00 0.81 4.81 -1.31 0.38 114.58 120.69 3hth h GLU 65 Ca 0.30 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 3hth h GLU 65 Cb 0.08 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3hth h GLU 65 CO -0.04 0.13 -0.53 0.78 -0.73 0.00 0.00 179.01 178.62 3hth h GLY 66 N 0.21 0.00 0.93 1.92 0.00 -1.52 -3.16 103.07 101.45 3hth h GLY 66 Ca 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 48.05 3hth h GLY 66 CO -0.38 0.00 0.10 -2.75 0.00 0.00 0.00 176.54 173.51 3hth h PHE 67 N 0.00 0.27 -0.41 5.60 3.57 -1.04 -2.32 116.94 122.61 3hth h PHE 67 Ca -0.01 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3hth h PHE 67 Cb 1.05 -0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 3hth h PHE 67 CO 0.00 0.26 -0.22 0.00 -2.23 0.00 0.00 178.31 176.13 3hth h ALA 68 N 0.98 0.06 -0.99 2.41 0.00 -1.56 0.74 119.26 120.90 3hth h ALA 68 Ca 0.07 0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.28 3hth h ALA 68 Cb 0.09 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3hth h ALA 68 CO -0.01 -0.58 0.62 0.00 0.00 0.00 0.00 179.25 179.27 3hth h ARG 69 N -0.14 0.79 -0.61 0.00 3.08 -1.44 -0.07 114.38 115.99 3hth h ARG 69 Ca 0.20 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 3hth h ARG 69 Cb 0.45 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3hth h ARG 69 CO -0.50 0.52 0.08 0.28 -1.07 0.00 0.00 179.97 179.29 3hth h VAL 70 N 0.81 1.26 -0.03 2.04 2.07 -0.36 -1.86 116.25 120.18 3hth h VAL 70 Ca 0.53 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 3hth h VAL 70 Cb 0.77 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3hth h VAL 70 CO -0.31 0.37 -0.41 0.58 0.02 0.00 0.00 177.57 177.82 3hth h VAL 71 N 0.94 1.30 -0.09 2.57 2.07 -0.09 -2.82 116.25 120.12 3hth h VAL 71 Ca 0.19 -1.45 -0.14 0.00 0.82 0.00 0.00 66.70 66.12 3hth h VAL 71 Cb 0.43 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3hth h VAL 71 CO 0.01 0.42 -0.56 0.00 0.02 0.00 0.00 177.57 177.47 3hth h ALA 72 N 1.54 0.88 0.00 1.67 0.00 -0.37 -3.06 119.26 119.91 3hth h ALA 72 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hth h ALA 72 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hth h ALA 72 CO 0.06 0.70 -0.13 0.00 0.00 0.00 0.00 179.25 179.87 3hth n ALA 73 N -2.48 2.46 -3.85 0.00 0.00 -0.77 -4.44 120.51 111.43 3hth n ALA 73 Ca -0.02 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 3hth n ALA 73 Cb 0.59 -1.40 -0.11 0.00 0.00 0.00 0.00 19.45 18.52 3hth n ALA 73 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hth s HIS 74 N -3.09 3.57 0.61 0.00 3.76 -1.09 -4.96 115.29 114.09 3hth s HIS 74 Ca 0.11 -3.23 0.29 0.00 -0.15 0.00 0.00 55.06 52.07 3hth s HIS 74 Cb 0.14 -2.85 1.57 0.00 1.11 0.00 0.00 32.58 32.55 3hth s HIS 74 CO 0.61 -0.62 1.96 -1.35 -0.85 0.00 0.00 174.74 174.49 3hth h PRO 75 N 5.75 0.00 0.00 8.40 0.11 -1.78 -2.43 132.00 142.05 3hth h PRO 75 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3hth h PRO 75 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3hth h PRO 75 CO 0.74 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 178.51 3hth h ALA 76 N 1.53 1.52 0.00 -0.75 0.00 -1.92 -0.47 119.26 119.17 3hth h ALA 76 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3hth h ALA 76 Cb 0.87 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3hth h ALA 76 CO -0.00 0.02 -0.27 -0.07 0.00 0.00 0.00 179.25 178.93 3hth h LEU 77 N 0.00 0.00 0.00 0.00 3.38 -1.77 -3.10 115.31 113.82 3hth h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hth h LEU 77 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hth h LEU 77 CO 0.00 0.27 -1.37 -1.20 0.09 0.00 0.00 178.44 176.23 3hth n SER 78 N -3.48 0.79 -4.55 -0.43 7.64 -0.49 -4.84 113.62 108.26 3hth n SER 78 Ca -0.00 -0.45 -0.40 0.00 1.01 0.00 0.00 58.87 59.03 3hth n SER 78 Cb 0.44 1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 65.05 3hth n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hth s ASP 79 N -3.45 5.77 0.00 6.43 3.68 -0.31 -4.81 116.67 123.99 3hth s ASP 79 Ca -0.00 -0.04 0.00 0.00 2.13 0.00 0.00 52.55 54.64 3hth s ASP 79 Cb 0.13 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 39.05 3hth s ASP 79 CO 0.76 -2.06 0.13 -0.81 0.13 0.00 0.00 175.17 173.32 3hth n PRO 80 N 9.23 0.25 -0.00 4.34 -0.04 -1.26 -0.55 135.00 146.97 3hth n PRO 80 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 3hth n PRO 80 Cb 0.50 -1.14 0.02 0.00 -0.04 0.00 0.00 33.50 32.85 3hth n PRO 80 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3hth n GLU 81 N 0.41 -0.17 -4.28 0.54 4.07 -1.26 -5.03 120.64 114.92 3hth n GLU 81 Ca 0.00 -0.84 -0.23 0.00 -0.06 0.00 0.00 57.16 56.03 3hth n GLU 81 Cb 0.07 -1.10 -0.07 0.00 -0.06 0.00 0.00 31.44 30.28 3hth n GLU 81 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hth s ALA 82 N -0.44 3.19 -0.40 4.31 0.00 0.29 -5.07 121.76 123.64 3hth s ALA 82 Ca 0.06 -1.62 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 3hth s ALA 82 Cb 0.04 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.34 3hth s ALA 82 CO 0.06 0.28 1.54 0.34 0.00 0.00 0.00 175.76 177.98 3hth s ASP 83 N -3.64 6.17 0.12 0.00 3.68 -1.26 -4.89 116.67 116.86 3hth s ASP 83 Ca 0.31 0.94 -0.20 0.00 2.13 0.00 0.00 52.55 55.73 3hth s ASP 83 Cb -0.07 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 38.83 3hth s ASP 83 CO 0.20 -1.55 1.74 0.25 0.13 0.00 0.00 175.17 175.94 3hth h LEU 84 N 12.77 0.03 0.22 -1.34 6.46 -1.93 -1.78 115.31 129.74 3hth h LEU 84 Ca -0.29 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3hth h LEU 84 Cb 1.12 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 3hth h LEU 84 CO 1.08 0.04 -0.33 0.28 -0.62 0.00 0.00 178.44 178.89 3hth h SER 85 N 0.13 -0.95 -0.77 1.25 0.02 -1.90 0.15 113.55 111.48 3hth h SER 85 Ca 0.09 0.09 0.13 0.00 -0.84 0.00 0.00 61.79 61.25 3hth h SER 85 Cb 0.07 0.33 -0.05 0.00 0.14 0.00 0.00 62.40 62.89 3hth h SER 85 CO -0.11 -0.40 0.51 1.23 -1.14 0.00 0.00 176.83 176.92 3hth h GLY 86 N -0.58 0.87 0.90 -3.77 0.00 -1.84 -0.97 103.07 97.67 3hth h GLY 86 Ca -0.03 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 46.96 3hth h GLY 86 CO -0.10 0.10 -0.33 -2.09 0.00 0.00 0.00 176.54 174.12 3hth h GLU 87 N 0.54 0.59 0.05 4.80 4.57 -0.90 -2.79 114.58 121.44 3hth h GLU 87 Ca 0.37 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3hth h GLU 87 Cb 0.69 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3hth h GLU 87 CO -0.14 0.97 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.57 3hth h LEU 88 N 0.26 -0.05 -0.94 1.64 3.38 -0.13 -2.18 115.31 117.29 3hth h LEU 88 Ca 0.02 -0.21 0.19 0.00 0.09 0.00 0.00 57.88 57.97 3hth h LEU 88 Cb 0.92 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 3hth h LEU 88 CO 0.08 0.18 0.52 0.00 0.09 0.00 0.00 178.44 179.30 3hth h ALA 89 N 0.65 1.53 0.14 1.53 0.00 -1.26 -0.63 119.26 121.22 3hth h ALA 89 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hth h ALA 89 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hth h ALA 89 CO 0.01 -0.15 -0.07 -0.09 0.00 0.00 0.00 179.25 178.96 3hth h ARG 90 N 0.63 -0.18 -0.89 0.00 2.43 -1.24 0.10 114.38 115.23 3hth h ARG 90 Ca 0.55 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.82 3hth h ARG 90 Cb 0.90 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.42 3hth h ARG 90 CO -0.42 0.03 0.54 0.28 -1.51 0.00 0.00 179.97 178.89 3hth h VAL 91 N -0.37 0.97 -0.38 0.20 2.07 -0.61 -0.32 116.25 117.80 3hth h VAL 91 Ca -0.02 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3hth h VAL 91 Cb 0.29 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3hth h VAL 91 CO 0.03 0.17 0.15 -0.07 0.02 0.00 0.00 177.57 177.87 3hth h LEU 92 N 0.92 0.52 -0.47 2.57 3.38 -0.94 0.05 115.31 121.34 3hth h LEU 92 Ca 0.42 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.31 3hth h LEU 92 Cb 0.32 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 3hth h LEU 92 CO -0.22 0.55 -0.03 1.23 0.09 0.00 0.00 178.44 180.05 3hth h GLY 93 N 0.46 0.44 0.99 0.83 0.00 0.80 0.20 103.07 106.80 3hth h GLY 93 Ca 0.13 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 3hth h GLY 93 CO -0.01 -0.14 0.28 0.83 0.00 0.00 0.00 176.54 177.50 3hth h GLU 94 N 0.08 0.86 -0.18 4.80 5.08 -0.69 -0.45 114.58 124.08 3hth h GLU 94 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3hth h GLU 94 Cb 0.35 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hth h GLU 94 CO -0.42 0.70 0.02 2.35 -1.00 0.00 0.00 179.01 180.67 3hth h TRP 95 N 0.81 0.33 -0.74 4.33 7.01 -0.15 -3.19 115.95 124.36 3hth h TRP 95 Ca 0.20 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 3hth h TRP 95 Cb 0.13 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 3hth h TRP 95 CO 0.00 0.48 0.32 -0.07 -2.79 0.00 0.00 178.44 176.37 3hth h LEU 96 N 0.09 1.00 -8.83 0.65 3.38 -0.52 -3.39 115.31 107.69 3hth h LEU 96 Ca 0.05 -0.16 -0.64 0.00 0.09 0.00 0.00 57.88 57.23 3hth h LEU 96 Cb 0.33 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 40.68 3hth h LEU 96 CO 0.01 0.88 -0.05 -0.83 0.09 0.00 0.00 178.44 178.54 3hth s GLY 97 N -3.25 1.83 0.00 0.83 0.00 -0.19 -4.70 107.32 101.84 3hth s GLY 97 Ca -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3hth s GLY 97 CO 0.82 1.24 0.00 0.61 0.00 0.00 0.00 173.10 175.77 3hth n GLY 98 N 4.69 0.49 2.00 0.20 0.00 -1.26 -4.70 105.19 106.61 3hth n GLY 98 Ca -0.05 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.42 3hth n GLY 98 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hth n ASP 99 N 0.00 -1.89 0.00 1.61 2.03 -1.26 -4.92 116.55 112.12 3hth n ASP 99 Ca 0.00 0.61 0.11 0.00 0.52 0.00 0.00 54.79 56.04 3hth n ASP 99 Cb 0.00 -2.92 0.52 0.00 -0.72 0.00 0.00 41.12 37.99 3hth n ASP 99 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hth n ARG 100 N 0.68 0.03 -0.20 -0.67 5.12 -1.26 -3.19 116.66 117.16 3hth n ARG 100 Ca -0.16 0.09 -0.07 0.00 -1.93 0.00 0.00 57.85 55.78 3hth n ARG 100 Cb 0.24 -1.50 0.03 0.00 -1.16 0.00 0.00 32.46 30.07 3hth n ARG 100 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3hth h THR 101 N 0.00 1.18 -0.58 0.55 2.02 -1.94 1.54 112.91 115.69 3hth h THR 101 Ca 0.00 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.67 3hth h THR 101 Cb 0.39 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3hth h THR 101 CO 0.00 0.20 0.11 1.23 0.37 0.00 0.00 175.52 177.43 3hth h GLY 102 N 0.78 1.02 0.60 2.16 0.00 -1.90 -0.29 103.07 105.44 3hth h GLY 102 Ca 0.20 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3hth h GLY 102 CO -0.03 0.62 -0.04 -2.08 0.00 0.00 0.00 176.54 175.00 3hth h VAL 103 N 0.85 1.12 -0.35 4.60 2.07 -1.41 -2.44 116.25 120.70 3hth h VAL 103 Ca 0.18 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3hth h VAL 103 Cb 0.39 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3hth h VAL 103 CO 0.01 0.21 0.22 -0.33 0.02 0.00 0.00 177.57 177.69 3hth h GLU 104 N -0.53 0.47 0.07 1.57 5.08 0.22 -1.38 114.58 120.07 3hth h GLU 104 Ca -0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3hth h GLU 104 Cb 0.44 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3hth h GLU 104 CO 0.02 0.33 -0.50 1.25 -1.00 0.00 0.00 179.01 179.11 3hth h LEU 105 N 0.46 -1.52 -0.80 1.33 6.46 -1.07 0.25 115.31 120.42 3hth h LEU 105 Ca 0.13 0.16 0.06 0.00 -0.12 0.00 0.00 57.88 58.11 3hth h LEU 105 Cb -0.02 0.57 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 3hth h LEU 105 CO -0.03 -0.51 0.48 -0.33 -0.62 0.00 0.00 178.44 177.43 3hth h GLU 106 N -0.68 0.85 -0.28 1.25 5.08 -1.35 -2.11 114.58 117.34 3hth h GLU 106 Ca 0.00 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 3hth h GLU 106 Cb 0.70 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hth h GLU 106 CO -0.30 0.56 -0.24 1.88 -1.00 0.00 0.00 179.01 179.91 3hth h TYR 107 N 0.88 0.60 -0.26 4.33 0.05 -0.69 -1.76 116.97 120.12 3hth h TYR 107 Ca 0.35 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.98 3hth h TYR 107 Cb 0.18 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 3hth h TYR 107 CO -0.05 0.73 0.06 1.49 -1.05 0.00 0.00 178.16 179.35 3hth h GLU 108 N 0.47 0.41 -0.22 4.88 4.81 0.13 0.24 114.58 125.30 3hth h GLU 108 Ca 0.07 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hth h GLU 108 Cb 0.68 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3hth h GLU 108 CO 0.05 0.51 0.14 -0.07 -0.73 0.00 0.00 179.01 178.91 3hth h LEU 109 N 0.24 0.25 0.24 1.64 3.38 -1.33 -1.31 115.31 118.43 3hth h LEU 109 Ca 0.08 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hth h LEU 109 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hth h LEU 109 CO 0.00 0.19 -0.20 0.22 0.09 0.00 0.00 178.44 178.74 3hth h TYR 110 N 0.29 -0.53 0.00 1.13 3.20 -1.11 -2.56 116.97 117.40 3hth h TYR 110 Ca 0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3hth h TYR 110 Cb -0.03 0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3hth h TYR 110 CO -0.06 -0.30 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.05 3hth h LEU 111 N -0.46 0.00 -2.60 2.82 3.38 -0.44 -2.22 115.31 115.80 3hth h LEU 111 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hth h LEU 111 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hth h LEU 111 CO -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 178.44 178.54 3hth h ALA 112 N 1.96 1.27 -0.01 1.53 0.00 -0.79 -2.08 119.26 121.14 3hth h ALA 112 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hth h ALA 112 Cb 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hth h ALA 112 CO 0.00 0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.41 3hth h ALA 113 N 1.99 1.16 -0.76 0.00 0.00 -1.50 -2.44 119.26 117.72 3hth h ALA 113 Ca -0.00 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.02 3hth h ALA 113 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3hth h ALA 113 CO 0.00 -0.14 0.37 1.25 0.00 0.00 0.00 179.25 180.73 3hth h LEU 114 N 0.00 0.45 0.00 0.00 5.85 -1.61 -3.27 115.31 116.73 3hth h LEU 114 Ca 0.00 0.08 -0.26 0.00 0.84 0.00 0.00 57.88 58.54 3hth h LEU 114 Cb 0.28 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3hth h LEU 114 CO -0.00 0.23 -1.97 0.54 -0.34 0.00 0.00 178.44 176.90 3hth n ARG 115 N -4.88 1.52 -3.11 1.25 5.12 -0.95 -4.88 116.66 110.72 3hth n ARG 115 Ca 0.13 0.01 -0.45 0.00 -1.93 0.00 0.00 57.85 55.62 3hth n ARG 115 Cb 0.34 -1.36 -0.04 0.00 -1.16 0.00 0.00 32.46 30.24 3hth n ARG 115 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hth s ARG 116 N -2.34 3.04 0.54 5.56 0.52 -1.01 -4.94 118.95 120.33 3hth s ARG 116 Ca -0.10 -1.32 0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3hth s ARG 116 Cb 0.04 -4.27 1.47 0.00 0.52 0.00 0.00 34.95 32.71 3hth s ARG 116 CO 0.55 -1.54 1.91 -1.35 0.02 0.00 0.00 175.30 174.88 3hth h PRO 117 N 9.19 0.00 -0.56 3.54 0.11 -1.90 -1.74 132.00 140.65 3hth h PRO 117 Ca -0.29 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.88 3hth h PRO 117 Cb 1.09 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 3hth h PRO 117 CO 1.10 0.00 0.24 0.00 -0.21 0.00 0.00 178.00 179.13 3hth h ALA 118 N 1.57 0.71 0.00 -0.75 0.00 -1.92 -2.01 119.26 116.86 3hth h ALA 118 Ca 0.37 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3hth h ALA 118 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hth h ALA 118 CO -0.00 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.38 3hth n LEU 119 N -4.94 0.40 -0.19 0.00 4.77 -0.65 -3.84 117.00 112.55 3hth n LEU 119 Ca 0.07 0.59 -0.07 0.00 -0.03 0.00 0.00 56.01 56.57 3hth n LEU 119 Cb 0.20 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3hth n LEU 119 CO 0.26 -0.41 1.03 0.03 -1.33 0.00 0.00 177.39 176.96 3hth h ARG 120 N 0.00 0.76 -0.14 3.23 3.08 -1.47 0.84 114.38 120.69 3hth h ARG 120 Ca 0.00 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 3hth h ARG 120 Cb 0.34 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3hth h ARG 120 CO 0.00 0.60 -0.37 -1.00 -1.07 0.00 0.00 179.97 178.13 3hth h PRO 121 N 0.73 0.29 0.00 0.04 0.13 -1.74 0.15 132.00 131.59 3hth h PRO 121 Ca 0.19 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 3hth h PRO 121 Cb 0.07 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 3hth h PRO 121 CO -0.03 0.63 -0.17 -0.24 -0.23 0.00 0.00 178.00 177.95 3hth h VAL 122 N 0.25 0.35 0.01 1.56 3.04 -1.68 -1.06 116.25 118.73 3hth h VAL 122 Ca 0.03 -1.21 -0.00 0.00 -1.01 0.00 0.00 66.70 64.50 3hth h VAL 122 Cb 0.77 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.98 3hth h VAL 122 CO 0.06 0.17 -0.01 0.00 -1.01 0.00 0.00 177.57 176.78 3hth h ALA 123 N 1.83 -0.02 -0.80 3.17 0.00 -0.39 -3.15 119.26 119.90 3hth h ALA 123 Ca -0.00 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 54.68 3hth h ALA 123 Cb 0.92 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 3hth h ALA 123 CO 0.02 -0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.70 3hth h ALA 124 N 0.10 2.05 0.35 0.00 0.00 -0.63 -1.76 119.26 119.36 3hth h ALA 124 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hth h ALA 124 Cb 0.77 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3hth h ALA 124 CO 0.00 -0.27 -0.51 0.93 0.00 0.00 0.00 179.25 179.40 3hth h GLU 125 N 0.48 -0.87 -0.78 0.00 5.08 -1.15 0.60 114.58 117.94 3hth h GLU 125 Ca 0.40 0.06 0.13 0.00 -1.00 0.00 0.00 59.36 58.95 3hth h GLU 125 Cb 0.84 0.20 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 3hth h GLU 125 CO -0.14 -0.58 -0.34 2.35 -1.00 0.00 0.00 179.01 179.30 3hth h TRP 126 N -0.90 -0.94 -0.26 4.33 2.91 -1.29 0.28 115.95 120.08 3hth h TRP 126 Ca -0.04 0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.07 3hth h TRP 126 Cb 0.83 0.53 -0.01 0.00 -0.51 0.00 0.00 29.16 29.99 3hth h TRP 126 CO -0.33 -0.39 0.17 0.00 -1.03 0.00 0.00 178.44 176.86 3hth h ALA 127 N 1.25 0.34 0.00 2.65 0.00 -1.25 -0.82 119.26 121.42 3hth h ALA 127 Ca 0.30 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3hth h ALA 127 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hth h ALA 127 CO -0.83 -0.19 -0.17 0.93 0.00 0.00 0.00 179.25 179.00 3hth h GLU 128 N 0.35 0.00 0.00 0.00 5.08 0.10 -0.71 114.58 119.41 3hth h GLU 128 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hth h GLU 128 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3hth h GLU 128 CO -0.02 0.17 -0.83 0.41 -1.00 0.00 0.00 179.01 177.74 3hth n GLY 129 N -0.49 -1.27 0.11 -3.84 0.00 -0.01 -3.19 105.19 96.50 3hth n GLY 129 Ca -0.01 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 3hth n GLY 129 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hth n VAL 130 N -1.93 1.60 0.25 1.61 0.31 -0.34 -3.76 118.33 116.07 3hth n VAL 130 Ca 0.03 -0.73 0.14 0.00 -0.01 0.00 0.00 64.34 63.78 3hth n VAL 130 Cb 0.42 -1.21 0.43 0.00 -0.91 0.00 0.00 33.84 32.57 3hth n VAL 130 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hth h GLY 131 N 2.60 0.00 0.27 2.92 0.00 -1.31 -2.92 103.07 104.63 3hth h GLY 131 Ca -0.43 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.00 3hth h GLY 131 CO 0.04 0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.69 3hth h ALA 132 N 1.98 0.61 0.00 3.60 0.00 -1.63 2.12 119.26 125.94 3hth h ALA 132 Ca -0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hth h ALA 132 Cb 0.76 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hth h ALA 132 CO 0.00 -0.31 -0.25 1.25 0.00 0.00 0.00 179.25 179.94 3hth h LEU 133 N 0.24 0.00 0.01 0.00 5.85 -1.66 -1.38 115.31 118.37 3hth h LEU 133 Ca 0.27 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.68 3hth h LEU 133 Cb 0.39 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3hth h LEU 133 CO -0.36 0.25 -1.87 0.18 -0.34 0.00 0.00 178.44 176.29 3hth n LEU 134 N -3.60 0.94 0.13 2.25 4.77 -0.02 -4.07 117.00 117.40 3hth n LEU 134 Ca -0.01 0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 56.27 3hth n LEU 134 Cb 0.39 0.08 0.12 0.00 -2.33 0.00 0.00 43.42 41.68 3hth n LEU 134 CO 0.34 0.47 0.44 0.00 -1.33 0.00 0.00 177.39 177.31 3hth h ALA 135 N 0.89 0.82 0.00 -1.18 0.00 0.34 0.25 119.26 120.38 3hth h ALA 135 Ca -0.35 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3hth h ALA 135 Cb 2.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3hth h ALA 135 CO 0.07 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.14 3hth h ALA 136 N 1.34 1.00 0.00 0.00 0.00 -1.39 -3.32 119.26 116.89 3hth h ALA 136 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3hth h ALA 136 Cb 1.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3hth h ALA 136 CO 0.09 0.00 -1.35 0.54 0.00 0.00 0.00 179.25 178.52 3hth n ARG 137 N -2.54 0.43 -1.82 0.00 1.74 -0.99 -5.06 116.66 108.42 3hth n ARG 137 Ca 0.01 0.18 -0.06 0.00 -0.77 0.00 0.00 57.85 57.20 3hth n ARG 137 Cb 0.23 -1.24 0.01 0.00 -1.02 0.00 0.00 32.46 30.44 3hth n ARG 137 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hth n THR 138 N -4.13 0.00 -0.70 0.55 -1.04 0.04 -5.12 114.28 103.89 3hth n THR 138 Ca -0.24 -0.60 -0.30 0.00 -2.04 0.00 0.00 64.05 60.88 3hth n THR 138 Cb 0.56 -0.66 0.26 0.00 -1.82 0.00 0.00 70.33 68.68 3hth n THR 138 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3hth s ASP 139 N -2.01 -0.04 0.09 8.00 3.84 -1.26 -4.45 116.67 120.84 3hth s ASP 139 Ca 0.14 0.81 0.02 0.00 -0.00 0.00 0.00 52.55 53.53 3hth s ASP 139 Cb -0.01 -1.16 -0.24 0.00 -1.38 0.00 0.00 42.92 40.12 3hth s ASP 139 CO 0.09 -4.73 1.19 -0.65 -0.00 0.00 0.00 175.17 171.06 3hth h PRO 140 N -2.99 0.12 -0.03 2.11 0.11 -1.94 -3.16 132.00 126.23 3hth h PRO 140 Ca -0.46 -0.21 -0.12 0.00 0.11 0.00 0.00 66.00 65.32 3hth h PRO 140 Cb 1.32 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3hth h PRO 140 CO 0.33 1.08 -0.52 0.00 -0.21 0.00 0.00 178.00 178.68 3hth h THR 141 N 0.03 1.37 0.00 -1.15 1.03 -2.00 -1.64 112.91 110.55 3hth h THR 141 Ca -0.08 -1.78 -0.05 0.00 -0.01 0.00 0.00 66.41 64.49 3hth h THR 141 Cb 1.87 1.93 -0.01 0.00 -1.07 0.00 0.00 68.15 70.87 3hth h THR 141 CO 0.16 0.52 -0.23 0.74 -0.01 0.00 0.00 175.52 176.70 3hth h THR 142 N 0.06 0.44 0.03 0.00 2.02 -1.91 -2.53 112.91 111.02 3hth h THR 142 Ca -0.00 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 65.79 3hth h THR 142 Cb 0.94 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3hth h THR 142 CO 0.07 0.22 -0.02 0.00 0.37 0.00 0.00 175.52 176.17 3hth h ALA 143 N 1.77 -0.05 -1.00 6.16 0.00 -1.43 -1.88 119.26 122.83 3hth h ALA 143 Ca -0.00 -0.34 0.14 0.00 0.00 0.00 0.00 54.91 54.71 3hth h ALA 143 Cb 1.01 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 3hth h ALA 143 CO 0.03 -0.15 0.62 -0.09 0.00 0.00 0.00 179.25 179.66 3hth h ARG 144 N -0.80 0.89 0.62 0.00 2.43 -1.29 -1.08 114.38 115.15 3hth h ARG 144 Ca -0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3hth h ARG 144 Cb 0.69 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3hth h ARG 144 CO 0.01 0.59 -0.30 0.00 -1.51 0.00 0.00 179.97 178.76 3hth h ALA 145 N 1.57 -1.14 -0.73 2.80 0.00 -1.44 -2.86 119.26 117.46 3hth h ALA 145 Ca 0.52 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.38 3hth h ALA 145 Cb 0.61 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3hth h ALA 145 CO -0.30 -1.08 -0.28 -0.07 0.00 0.00 0.00 179.25 177.51 3hth h LEU 146 N -0.89 -1.02 -1.31 0.00 3.38 -0.86 0.45 115.31 115.06 3hth h LEU 146 Ca -0.09 0.24 0.12 0.00 0.09 0.00 0.00 57.88 58.24 3hth h LEU 146 Cb 0.64 0.56 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 3hth h LEU 146 CO 0.14 -0.28 0.55 0.58 0.09 0.00 0.00 178.44 179.52 3hth h VAL 147 N -0.07 0.90 0.14 1.22 2.07 -1.26 0.19 116.25 119.44 3hth h VAL 147 Ca 0.31 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3hth h VAL 147 Cb 0.57 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3hth h VAL 147 CO -0.78 0.13 -0.07 0.00 0.02 0.00 0.00 177.57 176.88 3hth h ALA 148 N 1.59 -0.19 -0.24 1.67 0.00 0.03 -2.95 119.26 119.17 3hth h ALA 148 Ca 0.41 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hth h ALA 148 Cb 0.56 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hth h ALA 148 CO -0.17 -0.34 0.14 0.28 0.00 0.00 0.00 179.25 179.16 3hth h VAL 149 N -0.73 1.03 -0.91 0.00 2.07 -0.59 -2.29 116.25 114.83 3hth h VAL 149 Ca -0.02 -0.10 0.17 0.00 0.82 0.00 0.00 66.70 67.58 3hth h VAL 149 Cb 0.52 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 30.90 3hth h VAL 149 CO 0.03 0.05 0.49 0.25 0.02 0.00 0.00 177.57 178.42 3hth h LEU 150 N 0.29 0.59 -0.31 2.57 6.46 -0.73 -0.21 115.31 123.96 3hth h LEU 150 Ca 0.09 0.10 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 3hth h LEU 150 Cb -0.00 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3hth h LEU 150 CO -0.04 0.20 0.05 -0.78 -0.62 0.00 0.00 178.44 177.25 3hth h ASP 151 N 0.63 0.50 0.32 1.25 3.58 -1.24 -2.92 116.42 118.54 3hth h ASP 151 Ca 0.52 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 3hth h ASP 151 Cb 0.81 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 3hth h ASP 151 CO -0.40 0.63 -0.10 1.23 -2.88 0.00 0.00 179.24 177.72 3hth h GLY 152 N 0.35 0.00 1.59 -0.78 0.00 -0.61 -1.47 103.07 102.15 3hth h GLY 152 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.19 3hth h GLY 152 CO 0.01 0.00 -0.99 -2.22 0.00 0.00 0.00 176.54 173.34 3hth h ILE 153 N 0.00 1.43 -0.14 2.60 2.04 -1.06 -1.70 117.51 120.69 3hth h ILE 153 Ca -0.00 -2.57 -0.14 0.00 1.00 0.00 0.00 64.86 63.14 3hth h ILE 153 Cb 0.29 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3hth h ILE 153 CO 0.01 0.76 -0.48 0.00 0.00 0.00 0.00 178.15 178.45 3hth h LEU 155 N 0.20 0.56 -1.48 0.00 5.85 -1.34 0.92 115.31 120.02 3hth h LEU 155 Ca -0.02 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 3hth h LEU 155 Cb 1.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3hth h LEU 155 CO 0.10 0.61 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.94 3hth h GLN 156 N 0.58 0.00 0.09 1.25 4.15 -1.24 0.25 115.11 120.18 3hth h GLN 156 Ca 0.12 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.34 3hth h GLN 156 Cb 0.32 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 3hth h GLN 156 CO 0.01 0.26 -1.02 0.28 -1.93 0.00 0.00 178.83 176.43 3hth h VAL 157 N 0.00 1.25 -0.09 2.39 2.07 -1.15 -3.11 116.25 117.61 3hth h VAL 157 Ca -0.00 -2.39 -0.11 0.00 0.82 0.00 0.00 66.70 65.02 3hth h VAL 157 Cb 0.51 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3hth h VAL 157 CO 0.03 0.64 -0.44 -0.07 0.02 0.00 0.00 177.57 177.75 3hth h LEU 158 N -0.53 0.22 0.02 2.57 3.38 -0.68 -2.58 115.31 117.70 3hth h LEU 158 Ca -0.22 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.47 3hth h LEU 158 Cb 1.54 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 3hth h LEU 158 CO 0.03 0.63 -1.00 -0.07 0.09 0.00 0.00 178.44 178.13 3hth h LEU 159 N 0.17 0.06 0.00 1.67 4.07 -0.68 -3.38 115.31 117.22 3hth h LEU 159 Ca 0.01 -0.68 0.00 0.00 0.08 0.00 0.00 57.88 57.29 3hth h LEU 159 Cb 0.85 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.57 3hth h LEU 159 CO 0.07 1.40 -0.01 0.35 -1.08 0.00 0.00 178.44 179.17 3hth n THR 160 N -4.39 0.22 -3.56 0.22 -2.24 -1.18 -4.93 114.28 98.44 3hth n THR 160 Ca -0.26 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.19 3hth n THR 160 Cb 0.67 -0.52 0.08 0.00 -2.10 0.00 0.00 70.33 68.46 3hth n THR 160 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hth n ASP 161 N -1.78 -5.07 -4.21 3.42 4.64 -0.97 -5.00 116.55 107.58 3hth n ASP 161 Ca 0.06 -0.57 -0.32 0.00 -1.38 0.00 0.00 54.79 52.58 3hth n ASP 161 Cb 0.37 -5.04 -0.17 0.00 -1.04 0.00 0.00 41.12 35.25 3hth n ASP 161 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 3hth s THR 162 N -3.33 2.14 0.64 5.18 -4.23 -1.24 -5.09 115.64 109.71 3hth s THR 162 Ca 0.41 -0.97 -0.17 0.00 -1.18 0.00 0.00 61.69 59.78 3hth s THR 162 Cb -0.18 -1.84 -0.12 0.00 1.34 0.00 0.00 72.50 71.69 3hth s THR 162 CO 0.73 0.55 -0.05 -0.81 -0.54 0.00 0.00 174.62 174.50 3hth n PRO 163 N 3.77 0.11 -2.42 3.99 -0.04 -1.26 -4.53 135.00 134.62 3hth n PRO 163 Ca -0.19 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 3hth n PRO 163 Cb 0.52 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.72 3hth n PRO 163 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hth s TYR 164 N -1.95 3.19 -0.49 0.54 5.04 -1.26 -4.96 117.35 117.46 3hth s TYR 164 Ca 0.57 1.18 -0.07 0.00 -2.44 0.00 0.00 57.07 56.31 3hth s TYR 164 Cb -0.41 -3.45 0.13 0.00 0.35 0.00 0.00 41.96 38.58 3hth s TYR 164 CO 0.66 -1.45 0.34 0.34 -1.34 0.00 0.00 175.55 174.10 3hth s ASP 165 N 1.46 5.60 0.29 4.32 3.68 -1.26 -4.97 116.67 125.78 3hth s ASP 165 Ca 0.57 -2.08 -0.01 0.00 2.13 0.00 0.00 52.55 53.17 3hth s ASP 165 Cb -0.26 -1.96 0.48 0.00 -1.45 0.00 0.00 42.92 39.73 3hth s ASP 165 CO 0.24 -0.62 1.91 -0.08 0.13 0.00 0.00 175.17 176.75 3hth h GLU 166 N 8.18 1.05 -0.30 4.34 4.81 -1.94 -1.41 114.58 129.31 3hth h GLU 166 Ca -0.16 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 3hth h GLU 166 Cb 1.05 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3hth h GLU 166 CO 0.80 0.70 -0.18 1.49 -0.73 0.00 0.00 179.01 181.09 3hth h GLU 167 N 1.09 0.65 -0.26 1.92 4.81 -1.97 -0.82 114.58 119.99 3hth h GLU 167 Ca 0.39 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hth h GLU 167 Cb 0.14 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3hth h GLU 167 CO -0.14 0.89 0.15 -0.92 -0.73 0.00 0.00 179.01 178.26 3hth h TYR 168 N 0.40 0.28 -0.56 0.92 3.20 -1.94 -0.94 116.97 118.31 3hth h TYR 168 Ca 0.06 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.01 3hth h TYR 168 Cb 0.72 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 3hth h TYR 168 CO 0.06 0.16 0.25 0.00 -1.64 0.00 0.00 178.16 177.00 3hth h ALA 169 N 1.12 0.73 -0.44 1.82 0.00 -1.11 -0.63 119.26 120.74 3hth h ALA 169 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3hth h ALA 169 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hth h ALA 169 CO -0.05 -0.13 0.08 -0.09 0.00 0.00 0.00 179.25 179.06 3hth h ARG 170 N 0.46 0.67 -0.03 0.00 2.43 -0.74 0.63 114.38 117.80 3hth h ARG 170 Ca 0.27 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3hth h ARG 170 Cb 0.25 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3hth h ARG 170 CO -0.23 0.63 -0.07 1.49 -1.51 0.00 0.00 179.97 180.29 3hth h GLU 171 N 0.65 0.10 -0.51 0.20 4.81 -0.14 0.01 114.58 119.70 3hth h GLU 171 Ca 0.14 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3hth h GLU 171 Cb 0.28 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3hth h GLU 171 CO 0.00 0.64 0.08 -0.24 -0.73 0.00 0.00 179.01 178.77 3hth h VAL 172 N -0.42 1.23 -0.14 0.32 3.04 -1.08 -1.44 116.25 117.76 3hth h VAL 172 Ca 0.00 -0.88 -0.07 0.00 -1.01 0.00 0.00 66.70 64.74 3hth h VAL 172 Cb 0.64 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3hth h VAL 172 CO 0.01 0.32 -0.25 -0.07 -1.01 0.00 0.00 177.57 176.57 3hth h LEU 173 N 0.77 0.24 -0.59 3.16 3.38 -0.83 -2.76 115.31 118.67 3hth h LEU 173 Ca 0.16 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3hth h LEU 173 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hth h LEU 173 CO 0.01 0.50 -0.41 0.74 0.09 0.00 0.00 178.44 179.37 3hth h THR 174 N 0.22 1.29 0.00 0.22 2.02 0.00 -2.98 112.91 113.69 3hth h THR 174 Ca 0.04 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3hth h THR 174 Cb 0.57 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 3hth h THR 174 CO 0.04 0.51 0.00 0.03 0.37 0.00 0.00 175.52 176.47 3hth h ARG 175 N 0.54 0.00 0.07 6.66 3.08 -1.00 -3.01 114.38 120.71 3hth h ARG 175 Ca 0.04 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.74 3hth h ARG 175 Cb 0.94 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3hth h ARG 175 CO 0.08 0.00 -1.97 1.28 -1.07 0.00 0.00 179.97 178.30 3hth n LEU 176 N -2.76 2.48 0.00 3.04 4.32 -1.13 -5.13 117.00 117.82 3hth n LEU 176 Ca -0.02 0.21 0.04 0.00 -0.02 0.00 0.00 56.01 56.21 3hth n LEU 176 Cb 0.07 -1.03 0.22 0.00 -1.62 0.00 0.00 43.42 41.06 3hth n LEU 176 CO 0.16 0.72 0.45 -0.38 -1.22 0.00 0.00 177.39 177.13