#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hth h ARG 9 N 0.00 0.59 -0.36 5.31 2.43 -2.03 -2.91 114.38 117.41 3hth h ARG 9 Ca 0.00 -0.56 0.04 0.00 -0.81 0.00 0.00 59.98 58.65 3hth h ARG 9 Cb 0.00 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 3hth h ARG 9 CO 0.00 1.17 0.14 -0.09 -1.51 0.00 0.00 179.97 179.68 3hth h ARG 10 N 0.37 0.29 -0.17 0.20 2.43 -2.00 -2.14 114.38 113.36 3hth h ARG 10 Ca -0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3hth h ARG 10 Cb 1.50 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.98 3hth h ARG 10 CO 0.16 0.19 0.03 0.37 -1.51 0.00 0.00 179.97 179.21 3hth h GLN 11 N 0.30 0.24 0.00 0.20 5.75 -2.00 -2.30 115.11 117.29 3hth h GLN 11 Ca 0.16 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3hth h GLN 11 Cb 0.12 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3hth h GLN 11 CO -0.15 0.24 -0.18 0.07 -2.65 0.00 0.00 178.83 176.16 3hth h ARG 12 N 0.24 0.00 0.00 1.69 0.11 -1.20 -2.60 114.38 112.62 3hth h ARG 12 Ca 0.06 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.97 3hth h ARG 12 Cb 0.12 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.17 3hth h ARG 12 CO -0.00 0.00 -1.12 -0.84 0.10 0.00 0.00 179.97 178.11 3hth h ILE 13 N 0.00 0.80 -0.45 0.08 -0.00 -0.93 -2.86 117.51 114.14 3hth h ILE 13 Ca 0.00 -2.32 -0.11 0.00 -0.00 0.00 0.00 64.86 62.44 3hth h ILE 13 Cb 0.78 2.29 -0.01 0.00 -0.00 0.00 0.00 36.82 39.88 3hth h ILE 13 CO 0.00 0.45 -0.13 0.40 -0.00 0.00 0.00 178.15 178.87 3hth h ILE 14 N 0.00 1.27 -0.77 0.16 2.04 -1.37 0.15 117.51 119.00 3hth h ILE 14 Ca -0.11 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.43 3hth h ILE 14 Cb 1.60 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.79 3hth h ILE 14 CO 0.07 0.43 0.27 0.44 0.00 0.00 0.00 178.15 179.36 3hth h ASP 15 N 0.73 1.09 0.10 1.72 3.32 -1.50 0.41 116.42 122.28 3hth h ASP 15 Ca 0.11 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 3hth h ASP 15 Cb 0.69 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3hth h ASP 15 CO 0.05 0.98 -0.37 0.00 -1.72 0.00 0.00 179.24 178.18 3hth h ALA 16 N 1.16 1.04 -0.40 3.45 0.00 -1.25 0.47 119.26 123.74 3hth h ALA 16 Ca 0.25 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3hth h ALA 16 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hth h ALA 16 CO -0.01 0.60 -0.16 0.00 0.00 0.00 0.00 179.25 179.67 3hth h ALA 17 N 1.29 0.56 -0.74 0.00 0.00 -0.44 -0.19 119.26 119.74 3hth h ALA 17 Ca 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3hth h ALA 17 Cb 0.80 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3hth h ALA 17 CO 0.06 0.48 0.44 0.82 0.00 0.00 0.00 179.25 181.06 3hth h ILE 18 N 0.62 1.21 0.52 0.00 2.04 -0.53 -1.17 117.51 120.19 3hth h ILE 18 Ca 0.09 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3hth h ILE 18 Cb 0.70 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3hth h ILE 18 CO 0.05 0.21 -0.25 -0.09 0.00 0.00 0.00 178.15 178.08 3hth h ARG 19 N 1.01 -0.67 -0.58 2.37 9.65 -0.36 -2.37 114.38 123.43 3hth h ARG 19 Ca 0.27 0.05 0.17 0.00 -1.10 0.00 0.00 59.98 59.36 3hth h ARG 19 Cb -0.04 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3hth h ARG 19 CO -0.05 -0.41 0.45 0.28 2.80 0.00 0.00 179.97 183.04 3hth h VAL 20 N -0.79 0.63 -0.01 0.20 2.07 -0.59 -1.86 116.25 115.90 3hth h VAL 20 Ca -0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3hth h VAL 20 Cb 0.57 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3hth h VAL 20 CO 0.12 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.28 3hth h VAL 21 N 0.00 1.44 0.00 2.57 2.07 -0.80 -1.48 116.25 120.06 3hth h VAL 21 Ca 0.28 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3hth h VAL 21 Cb 1.17 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 3hth h VAL 21 CO -0.00 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.54 3hth n GLY 22 N 0.41 -0.45 0.20 2.17 0.00 -0.73 0.21 105.19 107.00 3hth n GLY 22 Ca -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 45.88 3hth n GLY 22 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hth n GLN 23 N -0.86 0.50 0.00 1.61 1.13 -1.06 -4.89 117.38 113.82 3hth n GLN 23 Ca 0.08 -1.07 0.00 0.00 -1.94 0.00 0.00 57.00 54.07 3hth n GLN 23 Cb 0.04 -0.68 0.00 0.00 0.11 0.00 0.00 30.24 29.71 3hth n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3hth n LYS 24 N -0.23 0.00 -0.50 -1.09 5.02 -0.57 -5.01 118.16 115.78 3hth n LYS 24 Ca 0.02 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.38 3hth n LYS 24 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.56 3hth n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hth n GLY 25 N 0.00 -1.95 0.22 0.72 0.00 0.13 -1.95 105.19 102.36 3hth n GLY 25 Ca 0.00 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.46 1.25 0.00 -0.61 2.04 -1.91 -2.50 117.51 115.32 3hth h ILE 26 Ca 0.01 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 3hth h ILE 26 Cb 0.46 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3hth h ILE 26 CO 0.00 0.37 -0.05 0.00 0.00 0.00 0.00 178.15 178.47 3hth h ALA 27 N 1.45 1.03 -0.98 1.87 0.00 -1.98 -2.57 119.26 118.09 3hth h ALA 27 Ca 0.04 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3hth h ALA 27 Cb 0.62 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.10 3hth h ALA 27 CO 0.04 0.06 0.66 0.41 0.00 0.00 0.00 179.25 180.43 3hth n GLY 28 N -0.15 4.65 3.26 0.00 0.00 -0.82 -4.91 105.19 107.21 3hth n GLY 28 Ca -0.00 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.35 2.33 -0.05 0.99 2.96 -0.97 -4.82 118.68 115.76 3hth s LEU 29 Ca 0.57 -0.49 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 3hth s LEU 29 Cb 0.48 -1.49 0.10 0.00 0.50 0.00 0.00 46.19 45.78 3hth s LEU 29 CO 0.10 0.14 0.84 -0.94 -1.32 0.00 0.00 176.35 175.17 3hth s SER 30 N 0.47 -0.46 0.31 3.68 1.04 -1.26 -5.02 113.70 112.46 3hth s SER 30 Ca -0.13 0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.70 3hth s SER 30 Cb -0.17 0.42 0.86 0.00 0.10 0.00 0.00 66.02 67.23 3hth s SER 30 CO 0.05 -0.55 1.67 0.45 0.98 0.00 0.00 173.24 175.84 3hth h HIS 31 N 2.45 0.65 -0.10 5.02 3.86 -1.97 0.10 115.15 125.16 3hth h HIS 31 Ca -0.23 0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.06 3hth h HIS 31 Cb 1.20 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.48 3hth h HIS 31 CO 0.30 -0.15 -0.16 -0.09 0.86 0.00 0.00 177.93 178.68 3hth h ARG 32 N 0.31 -0.21 -0.07 2.45 2.43 -1.96 0.10 114.38 117.43 3hth h ARG 32 Ca 0.63 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.63 3hth h ARG 32 Cb 1.32 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3hth h ARG 32 CO -0.61 -0.14 -0.73 1.79 -1.51 0.00 0.00 179.97 178.77 3hth h THR 33 N -0.22 1.39 -0.18 0.20 1.35 -1.42 -2.85 112.91 111.18 3hth h THR 33 Ca 0.09 -2.16 -0.13 0.00 -0.55 0.00 0.00 66.41 63.65 3hth h THR 33 Cb 0.34 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 3hth h THR 33 CO -0.23 0.65 -0.41 0.58 -0.25 0.00 0.00 175.52 175.85 3hth h VAL 34 N 0.25 1.33 -0.95 6.82 2.07 -0.95 -1.53 116.25 123.30 3hth h VAL 34 Ca -0.03 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 65.90 3hth h VAL 34 Cb 1.30 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 32.92 3hth h VAL 34 CO 0.12 0.51 0.60 0.00 0.02 0.00 0.00 177.57 178.83 3hth h ALA 35 N 0.58 1.31 0.59 1.67 0.00 -0.85 -0.73 119.26 121.82 3hth h ALA 35 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3hth h ALA 35 Cb 1.02 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.53 3hth h ALA 35 CO 0.09 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.44 3hth h ALA 36 N 1.43 -1.11 -0.65 0.00 0.00 -1.35 -1.43 119.26 116.16 3hth h ALA 36 Ca 0.41 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.33 3hth h ALA 36 Cb 0.16 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hth h ALA 36 CO -0.17 -1.05 0.47 1.49 0.00 0.00 0.00 179.25 179.99 3hth h GLU 37 N -0.86 0.01 0.00 0.00 4.57 -1.11 0.26 114.58 117.45 3hth h GLU 37 Ca -0.08 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3hth h GLU 37 Cb 0.60 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 3hth h GLU 37 CO 0.13 0.01 -0.47 0.00 -1.18 0.00 0.00 179.01 177.50 3hth h ALA 38 N 1.68 0.70 -5.61 2.92 0.00 -1.09 -3.46 119.26 114.38 3hth h ALA 38 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.85 3hth h ALA 38 Cb 1.23 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.16 3hth h ALA 38 CO -0.01 0.00 -0.67 -3.47 0.00 0.00 0.00 179.25 175.11 3hth n ASP 39 N -2.22 -5.42 -4.53 0.00 2.03 0.91 -4.96 116.55 102.37 3hth n ASP 39 Ca 0.04 -0.53 -0.25 0.00 0.52 0.00 0.00 54.79 54.56 3hth n ASP 39 Cb 0.45 -4.86 -0.11 0.00 -0.72 0.00 0.00 41.12 35.88 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 -3.31 2.08 -0.08 5.18 -7.23 -0.86 -5.06 120.40 111.11 3hth s VAL 40 Ca 0.46 -2.17 -0.36 0.00 -1.81 0.00 0.00 61.98 58.10 3hth s VAL 40 Cb -0.20 -2.64 -0.14 0.00 0.56 0.00 0.00 36.38 33.96 3hth s VAL 40 CO 0.70 -0.20 1.72 -2.65 -0.31 0.00 0.00 175.10 174.36 3hth n PRO 41 N -0.77 1.75 0.00 4.82 -0.02 -1.26 -4.62 135.00 134.90 3hth n PRO 41 Ca -0.05 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3hth n PRO 41 Cb 0.64 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3hth n PRO 41 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hth n LEU 42 N 5.23 0.00 0.00 2.45 4.32 -1.26 0.16 117.00 127.90 3hth n LEU 42 Ca 0.22 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.27 3hth n LEU 42 Cb 0.23 -0.06 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 3hth n LEU 42 CO 0.72 -0.06 -0.09 0.61 -1.22 0.00 0.00 177.39 177.36 3hth n GLY 43 N -0.88 0.71 0.24 -0.72 0.00 -1.26 -4.62 105.19 98.66 3hth n GLY 43 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3hth n GLY 43 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hth h SER 44 N 0.00 0.00 0.15 1.61 0.87 0.13 0.18 113.55 116.49 3hth h SER 44 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 3hth h SER 44 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3hth h SER 44 CO 0.00 0.18 -0.84 0.71 -0.53 0.00 0.00 176.83 176.36 3hth h THR 45 N 0.00 1.35 -0.04 2.23 1.35 -1.80 -2.89 112.91 113.11 3hth h THR 45 Ca -0.00 -2.20 -0.10 0.00 -0.55 0.00 0.00 66.41 63.56 3hth h THR 45 Cb 0.49 2.20 -0.01 0.00 -1.73 0.00 0.00 68.15 69.10 3hth h THR 45 CO 0.02 0.67 -0.45 0.74 -0.25 0.00 0.00 175.52 176.25 3hth h THR 46 N 0.34 1.33 0.73 6.82 2.02 -1.33 -1.25 112.91 121.57 3hth h THR 46 Ca -0.06 -1.58 -0.04 0.00 0.77 0.00 0.00 66.41 65.50 3hth h THR 46 Cb 1.45 1.81 0.01 0.00 -1.74 0.00 0.00 68.15 69.68 3hth h THR 46 CO 0.15 0.46 -0.35 0.22 0.37 0.00 0.00 175.52 176.37 3hth h TYR 47 N 0.07 -0.90 0.00 3.16 5.03 -0.90 -2.90 116.97 120.52 3hth h TYR 47 Ca 0.00 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.26 3hth h TYR 47 Cb 0.83 0.30 -0.00 0.00 1.55 0.00 0.00 36.73 39.41 3hth h TYR 47 CO 0.01 -0.56 -0.13 0.45 -1.32 0.00 0.00 178.16 176.60 3hth h HIS 48 N -1.16 0.00 -2.83 -3.82 3.86 -1.55 -3.37 115.15 106.28 3hth h HIS 48 Ca -0.10 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.54 3hth h HIS 48 Cb 0.75 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.82 3hth h HIS 48 CO 0.02 0.13 -0.79 -0.06 0.86 0.00 0.00 177.93 178.09 3hth s PHE 49 N -4.28 0.98 0.04 2.45 0.40 -0.47 -5.01 117.98 112.09 3hth s PHE 49 Ca -0.03 -1.53 -0.13 0.00 -0.60 0.00 0.00 56.93 54.64 3hth s PHE 49 Cb 0.14 -1.22 -0.06 0.00 0.51 0.00 0.00 43.02 42.39 3hth s PHE 49 CO 0.61 -0.83 1.21 0.00 0.70 0.00 0.00 175.22 176.90 3hth h ALA 50 N 7.64 -0.72 -1.88 5.36 0.00 -1.68 -3.38 119.26 124.60 3hth h ALA 50 Ca -0.07 -0.04 -0.44 0.00 0.00 0.00 0.00 54.91 54.35 3hth h ALA 50 Cb 0.99 0.62 0.04 0.00 0.00 0.00 0.00 17.79 19.44 3hth h ALA 50 CO 0.39 -0.77 -0.09 0.95 0.00 0.00 0.00 179.25 179.73 3hth s THR 51 N -4.05 3.22 0.21 0.00 -4.23 -1.26 -4.93 115.64 104.60 3hth s THR 51 Ca -0.06 -0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.76 3hth s THR 51 Cb 0.02 -3.18 -0.00 0.00 1.34 0.00 0.00 72.50 70.68 3hth s THR 51 CO 0.23 -0.12 1.58 0.25 -0.54 0.00 0.00 174.62 176.02 3hth h LEU 52 N 0.28 0.66 -0.64 4.79 5.85 -2.01 -2.47 115.31 121.77 3hth h LEU 52 Ca -0.43 -0.29 0.07 0.00 0.84 0.00 0.00 57.88 58.07 3hth h LEU 52 Cb 1.28 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3hth h LEU 52 CO 0.53 0.98 0.33 0.44 -0.34 0.00 0.00 178.44 180.38 3hth h ASP 53 N 0.52 0.45 -0.59 1.25 3.45 -1.97 -1.30 116.42 118.24 3hth h ASP 53 Ca 0.05 0.04 0.10 0.00 0.43 0.00 0.00 57.03 57.65 3hth h ASP 53 Cb 0.90 -0.04 -0.07 0.00 -0.56 0.00 0.00 39.33 39.56 3hth h ASP 53 CO 0.08 0.28 0.18 0.44 -1.57 0.00 0.00 179.24 178.66 3hth h ASP 54 N 0.59 0.14 0.76 6.45 3.45 -1.82 -0.04 116.42 125.96 3hth h ASP 54 Ca 0.30 0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.81 3hth h ASP 54 Cb 0.25 0.09 0.01 0.00 -0.56 0.00 0.00 39.33 39.12 3hth h ASP 54 CO -0.22 0.09 -0.36 0.25 -1.57 0.00 0.00 179.24 177.43 3hth h LEU 55 N 0.34 -0.86 0.04 1.55 6.46 -1.13 -2.54 115.31 119.17 3hth h LEU 55 Ca 0.30 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.09 3hth h LEU 55 Cb 0.39 0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.52 3hth h LEU 55 CO -0.33 -0.60 -0.29 0.24 -0.62 0.00 0.00 178.44 176.85 3hth h MET 56 N -1.06 -0.38 -0.93 1.25 2.86 -0.93 -1.78 114.93 113.97 3hth h MET 56 Ca -0.10 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 57.83 3hth h MET 56 Cb 0.79 0.09 -0.15 0.00 0.06 0.00 0.00 31.60 32.38 3hth h MET 56 CO 0.17 -0.25 0.28 0.28 1.06 0.00 0.00 176.91 178.45 3hth h VAL 57 N -0.39 0.24 0.00 -2.22 2.07 -1.08 0.11 116.25 114.97 3hth h VAL 57 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hth h VAL 57 Cb 0.41 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3hth h VAL 57 CO -0.17 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.45 3hth n ALA 58 N -2.67 -0.20 -0.19 1.67 0.00 -0.84 -1.68 120.51 116.60 3hth n ALA 58 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 3hth n ALA 58 Cb 0.80 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 3hth n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hth h ALA 59 N -2.00 -0.22 -0.73 0.00 0.00 -1.02 -0.26 119.26 115.04 3hth h ALA 59 Ca 0.00 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3hth h ALA 59 Cb 0.00 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3hth h ALA 59 CO 0.00 -0.76 0.48 -0.07 0.00 0.00 0.00 179.25 178.90 3hth h LEU 60 N -0.22 0.56 -0.56 0.00 -0.00 -0.88 -1.07 115.31 113.14 3hth h LEU 60 Ca 0.20 0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.96 3hth h LEU 60 Cb 0.56 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 3hth h LEU 60 CO -0.66 0.33 -0.27 -0.09 -0.00 0.00 0.00 178.44 177.75 3hth h ARG 61 N 0.62 0.87 -0.98 1.13 2.43 -0.15 -2.88 114.38 115.42 3hth h ARG 61 Ca 0.34 -0.39 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 3hth h ARG 61 Cb 0.49 -0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.90 3hth h ARG 61 CO -0.12 1.03 0.27 0.94 -1.51 0.00 0.00 179.97 180.58 3hth n GLN 62 N -4.09 1.69 -0.02 0.20 7.27 -0.43 -3.47 117.38 118.52 3hth n GLN 62 Ca -0.01 -1.37 -0.02 0.00 0.07 0.00 0.00 57.00 55.67 3hth n GLN 62 Cb 0.47 -1.57 -0.02 0.00 2.41 0.00 0.00 30.24 31.54 3hth n GLN 62 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hth n ALA 63 N -0.19 1.92 -1.65 1.69 0.00 -1.02 -5.00 120.51 116.25 3hth n ALA 63 Ca 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 3hth n ALA 63 Cb 1.00 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.76 3hth n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hth n ASN 64 N -2.40 -0.35 0.00 0.00 4.13 -1.23 -4.92 115.26 110.49 3hth n ASN 64 Ca -0.06 -0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.17 3hth n ASN 64 Cb 0.59 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 3hth n ASN 64 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hth n GLU 65 N -0.23 0.00 0.00 3.52 1.02 -1.26 -4.81 120.64 118.88 3hth n GLU 65 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3hth n GLU 65 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 3hth n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hth n GLY 66 N 4.74 0.98 0.00 0.62 0.00 -1.26 -3.22 105.19 107.05 3hth n GLY 66 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hth n GLY 66 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hth n PHE 67 N 0.00 0.00 0.25 1.61 7.35 -1.26 -4.78 117.46 120.63 3hth n PHE 67 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 3hth n PHE 67 Cb 0.00 0.00 0.63 0.00 0.35 0.00 0.00 39.48 40.46 3hth n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hth h ALA 68 N 0.00 1.68 -0.04 3.13 0.00 -1.79 -0.64 119.26 121.59 3hth h ALA 68 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hth h ALA 68 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hth h ALA 68 CO 0.00 0.13 -0.11 0.00 0.00 0.00 0.00 179.25 179.27 3hth h ARG 69 N 0.00 0.14 -0.06 0.00 2.47 -1.86 -2.00 114.38 113.07 3hth h ARG 69 Ca -0.00 -0.10 0.02 0.00 -1.26 0.00 0.00 59.98 58.64 3hth h ARG 69 Cb 0.20 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.50 3hth h ARG 69 CO 0.01 0.71 -0.34 0.28 0.56 0.00 0.00 179.97 181.19 3hth h VAL 70 N -0.40 0.00 -1.10 2.04 2.07 -1.64 0.49 116.25 117.71 3hth h VAL 70 Ca -0.00 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.83 3hth h VAL 70 Cb 0.71 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 3hth h VAL 70 CO 0.02 0.00 0.78 0.58 0.02 0.00 0.00 177.57 178.97 3hth h VAL 71 N -0.39 0.46 0.00 2.57 2.07 -1.19 0.75 116.25 120.51 3hth h VAL 71 Ca 0.02 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 3hth h VAL 71 Cb 0.44 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3hth h VAL 71 CO -0.26 0.01 -0.18 0.00 0.02 0.00 0.00 177.57 177.16 3hth h ALA 72 N 1.48 1.07 0.00 1.67 0.00 -0.13 -2.75 119.26 120.60 3hth h ALA 72 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3hth h ALA 72 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.77 3hth h ALA 72 CO -0.07 0.22 -0.60 0.00 0.00 0.00 0.00 179.25 178.80 3hth n ALA 73 N -2.22 3.63 -3.71 0.00 0.00 0.26 -4.65 120.51 113.82 3hth n ALA 73 Ca -0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 53.44 52.70 3hth n ALA 73 Cb 0.37 -1.07 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.03 3.45 0.59 0.00 3.76 -1.04 -4.92 115.29 114.11 3hth s HIS 74 Ca 0.10 -2.62 0.37 0.00 -0.15 0.00 0.00 55.06 52.76 3hth s HIS 74 Cb 0.17 -3.23 2.09 0.00 1.11 0.00 0.00 32.58 32.71 3hth s HIS 74 CO 0.73 -0.87 2.29 -1.00 -0.85 0.00 0.00 174.74 175.04 3hth h PRO 75 N 7.25 0.00 -0.75 8.40 0.13 -1.83 -1.80 132.00 143.40 3hth h PRO 75 Ca -0.03 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.24 3hth h PRO 75 Cb 0.97 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.05 3hth h PRO 75 CO 0.72 0.01 0.50 0.00 -0.23 0.00 0.00 178.00 179.00 3hth h ALA 76 N 1.99 2.10 -0.60 -0.56 0.00 -1.93 -1.10 119.26 119.16 3hth h ALA 76 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hth h ALA 76 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hth h ALA 76 CO 0.00 -0.31 0.14 -0.07 0.00 0.00 0.00 179.25 179.01 3hth h LEU 77 N 0.42 0.91 0.00 0.00 4.07 -1.66 -3.21 115.31 115.85 3hth h LEU 77 Ca 0.37 -0.24 -0.16 0.00 0.08 0.00 0.00 57.88 57.93 3hth h LEU 77 Cb 0.83 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.31 3hth h LEU 77 CO -0.12 0.92 -1.05 0.77 -1.08 0.00 0.00 178.44 177.88 3hth h SER 78 N 0.87 0.00 -0.81 -0.43 4.64 -1.44 -3.46 113.55 112.93 3hth h SER 78 Ca 0.19 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.75 3hth h SER 78 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3hth h SER 78 CO 0.00 0.64 1.16 -0.67 -0.87 0.00 0.00 176.83 177.09 3hth n ASP 79 N -3.09 1.58 -0.17 4.97 -0.08 -0.52 -4.75 116.55 114.49 3hth n ASP 79 Ca -0.05 0.77 0.29 0.00 -1.51 0.00 0.00 54.79 54.29 3hth n ASP 79 Cb 0.83 -1.05 0.72 0.00 2.34 0.00 0.00 41.12 43.96 3hth n ASP 79 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hth h PRO 80 N 8.94 0.00 -0.57 -0.67 0.13 -1.90 -2.52 132.00 135.41 3hth h PRO 80 Ca -0.28 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.44 3hth h PRO 80 Cb 1.36 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.14 3hth h PRO 80 CO 1.02 0.00 -0.80 -0.85 -0.23 0.00 0.00 178.00 177.15 3hth n GLU 81 N -4.09 2.99 -3.06 0.86 0.28 -1.26 -5.00 120.64 111.36 3hth n GLU 81 Ca 0.18 -3.90 -0.18 0.00 -0.16 0.00 0.00 57.16 53.10 3hth n GLU 81 Cb 1.00 -2.04 0.03 0.00 1.43 0.00 0.00 31.44 31.86 3hth n GLU 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hth s ALA 82 N -3.47 4.59 -0.37 -1.84 0.00 -0.95 -5.04 121.76 114.67 3hth s ALA 82 Ca 0.46 -1.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.33 3hth s ALA 82 Cb 0.39 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3hth s ALA 82 CO 0.01 -0.52 0.77 0.34 0.00 0.00 0.00 175.76 176.36 3hth s ASP 83 N -4.47 6.53 0.08 0.00 2.15 -1.26 -4.95 116.67 114.76 3hth s ASP 83 Ca 0.57 0.29 -0.26 0.00 0.43 0.00 0.00 52.55 53.58 3hth s ASP 83 Cb -0.08 -2.39 -0.16 0.00 -0.30 0.00 0.00 42.92 39.99 3hth s ASP 83 CO 0.35 -0.74 1.70 0.25 -0.17 0.00 0.00 175.17 176.56 3hth h LEU 84 N 9.76 -0.25 -0.11 -1.34 5.85 -1.91 -0.32 115.31 126.98 3hth h LEU 84 Ca -0.25 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3hth h LEU 84 Cb 1.09 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 3hth h LEU 84 CO 0.91 -0.18 0.01 0.77 -0.34 0.00 0.00 178.44 179.62 3hth h SER 85 N -0.29 0.18 -0.06 1.25 4.64 -1.92 0.19 113.55 117.54 3hth h SER 85 Ca -0.03 -0.27 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 3hth h SER 85 Cb 0.23 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 62.21 3hth h SER 85 CO 0.04 0.41 -0.40 1.23 -0.87 0.00 0.00 176.83 177.24 3hth h GLY 86 N -0.05 -0.70 1.01 -0.77 0.00 -1.84 0.33 103.07 101.05 3hth h GLY 86 Ca 0.03 0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.80 3hth h GLY 86 CO 0.00 -0.24 0.16 0.83 0.00 0.00 0.00 176.54 177.30 3hth h GLU 87 N -0.52 0.95 -0.22 4.80 4.39 -1.03 -1.55 114.58 121.39 3hth h GLU 87 Ca 0.06 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.56 3hth h GLU 87 Cb 0.63 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3hth h GLU 87 CO -0.35 0.86 0.09 1.25 -1.16 0.00 0.00 179.01 179.71 3hth h LEU 88 N 0.86 0.12 -0.49 1.33 6.46 -0.07 0.25 115.31 123.75 3hth h LEU 88 Ca 0.19 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 3hth h LEU 88 Cb 0.33 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3hth h LEU 88 CO -0.00 0.10 0.32 0.00 -0.62 0.00 0.00 178.44 178.24 3hth h ALA 89 N 1.13 0.62 -0.49 1.25 0.00 -0.19 0.49 119.26 122.07 3hth h ALA 89 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3hth h ALA 89 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hth h ALA 89 CO -0.09 0.08 0.20 -0.09 0.00 0.00 0.00 179.25 179.35 3hth h ARG 90 N 0.67 0.73 -0.16 0.00 1.12 -0.85 -1.64 114.38 114.24 3hth h ARG 90 Ca 0.18 -0.13 -0.15 0.00 -1.11 0.00 0.00 59.98 58.77 3hth h ARG 90 Cb -0.07 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.76 3hth h ARG 90 CO -0.04 0.64 -0.54 0.28 -3.11 0.00 0.00 179.97 177.21 3hth h VAL 91 N 0.65 1.33 -0.28 0.20 2.07 -0.30 -2.68 116.25 117.25 3hth h VAL 91 Ca 0.16 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 3hth h VAL 91 Cb 0.18 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3hth h VAL 91 CO -0.01 0.55 0.14 0.25 0.02 0.00 0.00 177.57 178.52 3hth h LEU 92 N 0.36 0.35 -0.85 2.57 6.46 -0.72 -1.56 115.31 121.92 3hth h LEU 92 Ca 0.01 -0.11 0.13 0.00 -0.12 0.00 0.00 57.88 57.79 3hth h LEU 92 Cb 1.06 -0.09 -0.09 0.00 -0.73 0.00 0.00 40.66 40.81 3hth h LEU 92 CO 0.10 0.36 0.46 1.23 -0.62 0.00 0.00 178.44 179.97 3hth h GLY 93 N 0.32 1.37 1.97 3.75 0.00 -1.13 0.49 103.07 109.85 3hth h GLY 93 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3hth h GLY 93 CO -0.01 0.02 -0.13 -2.09 0.00 0.00 0.00 176.54 174.34 3hth h GLU 94 N 0.70 0.03 -0.23 4.80 4.81 -1.03 1.84 114.58 125.51 3hth h GLU 94 Ca 0.45 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.52 3hth h GLU 94 Cb 0.56 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hth h GLU 94 CO -0.32 0.16 -0.44 2.35 -0.73 0.00 0.00 179.01 180.03 3hth h TRP 95 N 0.03 0.90 0.11 0.92 -0.00 0.83 -3.36 115.95 115.38 3hth h TRP 95 Ca 0.01 -0.32 -0.36 0.00 -0.00 0.00 0.00 58.89 58.21 3hth h TRP 95 Cb 0.24 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.22 3hth h TRP 95 CO 0.00 1.10 -2.01 1.28 -0.00 0.00 0.00 178.44 178.81 3hth n LEU 96 N -4.17 2.56 -4.73 0.65 4.77 0.00 -4.62 117.00 111.47 3hth n LEU 96 Ca -0.05 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 3hth n LEU 96 Cb 0.56 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.59 3hth n LEU 96 CO 0.47 0.84 0.93 -0.83 -1.33 0.00 0.00 177.39 177.47 3hth s GLY 97 N -5.62 2.46 -0.12 -0.72 0.00 0.62 -4.41 107.32 99.53 3hth s GLY 97 Ca -0.22 0.98 -0.09 0.00 0.00 0.00 0.00 44.72 45.39 3hth s GLY 97 CO 0.76 2.01 0.18 0.61 0.00 0.00 0.00 173.10 176.67 3hth n GLY 98 N 2.69 -5.43 1.66 0.20 0.00 -1.26 -4.74 105.19 98.30 3hth n GLY 98 Ca 0.07 1.31 0.00 0.00 0.00 0.00 0.00 46.02 47.40 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 1.78 -5.74 -1.06 1.61 4.64 -1.26 -4.94 116.55 111.58 3hth n ASP 99 Ca -0.30 0.92 0.00 0.00 -1.38 0.00 0.00 54.79 54.03 3hth n ASP 99 Cb 0.47 -3.08 0.22 0.00 -1.04 0.00 0.00 41.12 37.68 3hth n ASP 99 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hth n ARG 100 N 0.90 2.18 -0.09 -0.67 1.74 -1.26 -4.65 116.66 114.81 3hth n ARG 100 Ca 0.00 -3.04 -0.14 0.00 -0.77 0.00 0.00 57.85 53.90 3hth n ARG 100 Cb 0.00 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 29.58 3hth n ARG 100 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3hth h THR 101 N 1.22 1.29 0.19 0.55 2.02 -1.92 -0.75 112.91 115.52 3hth h THR 101 Ca 0.15 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 3hth h THR 101 Cb 1.59 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3hth h THR 101 CO 0.34 0.50 -0.09 1.23 0.37 0.00 0.00 175.52 177.86 3hth h GLY 102 N 0.53 -0.27 0.43 2.16 0.00 -1.89 -1.68 103.07 102.34 3hth h GLY 102 Ca 0.04 0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.54 3hth h GLY 102 CO 0.09 -0.10 0.07 -2.08 0.00 0.00 0.00 176.54 174.52 3hth h VAL 103 N -0.49 0.75 -0.06 4.60 2.07 -1.81 -2.12 116.25 119.18 3hth h VAL 103 Ca -0.03 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.45 3hth h VAL 103 Cb 0.37 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3hth h VAL 103 CO 0.04 0.04 -0.07 -0.33 0.02 0.00 0.00 177.57 177.27 3hth h GLU 104 N 0.20 -0.09 -0.43 1.57 5.08 -1.08 -1.46 114.58 118.37 3hth h GLU 104 Ca 0.21 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.66 3hth h GLU 104 Cb 0.28 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3hth h GLU 104 CO -0.29 -0.06 0.05 1.25 -1.00 0.00 0.00 179.01 178.96 3hth h LEU 105 N -0.09 -0.08 -1.23 1.33 5.85 -0.76 -1.03 115.31 119.30 3hth h LEU 105 Ca 0.05 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 3hth h LEU 105 Cb 0.16 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hth h LEU 105 CO -0.12 -0.01 -0.32 -0.08 -0.34 0.00 0.00 178.44 177.58 3hth h GLU 106 N 0.17 0.00 -0.38 1.25 4.81 -1.27 -1.34 114.58 117.82 3hth h GLU 106 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3hth h GLU 106 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3hth h GLU 106 CO -0.32 0.32 0.00 0.66 -0.73 0.00 0.00 179.01 178.94 3hth n TYR 107 N -3.69 0.50 -0.05 0.92 4.02 -0.56 -2.40 117.16 115.89 3hth n TYR 107 Ca -0.01 -0.25 -0.05 0.00 -0.01 0.00 0.00 57.90 57.58 3hth n TYR 107 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.65 3hth n TYR 107 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3hth n GLU 108 N 0.67 1.85 -0.05 -0.72 2.13 -0.49 -3.26 120.64 120.77 3hth n GLU 108 Ca 0.14 -0.02 -0.11 0.00 0.66 0.00 0.00 57.16 57.84 3hth n GLU 108 Cb 0.35 -1.31 -0.05 0.00 0.27 0.00 0.00 31.44 30.70 3hth n GLU 108 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3hth h LEU 109 N 0.00 0.27 -1.82 4.31 6.46 -1.15 0.17 115.31 123.55 3hth h LEU 109 Ca -0.30 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.22 3hth h LEU 109 Cb 1.64 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.50 3hth h LEU 109 CO 0.02 0.41 -0.15 1.88 -0.62 0.00 0.00 178.44 179.98 3hth h TYR 110 N 0.12 0.00 0.00 1.25 0.99 -1.66 0.12 116.97 117.79 3hth h TYR 110 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3hth h TYR 110 Cb 0.24 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.97 3hth h TYR 110 CO 0.00 0.15 0.00 -0.11 -0.00 0.00 0.00 178.16 178.20 3hth n LEU 111 N -3.91 0.47 -0.34 3.88 0.00 -0.23 -3.30 117.00 113.57 3hth n LEU 111 Ca -0.02 0.59 0.22 0.00 0.00 0.00 0.00 56.01 56.81 3hth n LEU 111 Cb 0.24 -0.25 0.45 0.00 0.00 0.00 0.00 43.42 43.87 3hth n LEU 111 CO 0.32 -0.25 1.12 0.00 0.00 0.00 0.00 177.39 178.59 3hth h ALA 112 N -2.00 1.91 -0.98 1.96 0.00 -0.71 0.37 119.26 119.81 3hth h ALA 112 Ca 0.00 0.18 0.24 0.00 0.00 0.00 0.00 54.91 55.33 3hth h ALA 112 Cb 0.00 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3hth h ALA 112 CO 0.00 -0.51 0.65 0.00 0.00 0.00 0.00 179.25 179.39 3hth h ALA 113 N 1.82 2.35 -0.04 0.00 0.00 -1.02 0.15 119.26 122.52 3hth h ALA 113 Ca 0.71 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.65 3hth h ALA 113 Cb 1.57 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3hth h ALA 113 CO -0.58 -0.68 0.02 1.25 0.00 0.00 0.00 179.25 179.26 3hth h LEU 114 N 0.33 0.05 -0.84 0.00 5.85 -0.25 -3.12 115.31 117.33 3hth h LEU 114 Ca 0.52 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.16 3hth h LEU 114 Cb 1.44 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3hth h LEU 114 CO -0.20 0.12 -0.26 -2.11 -0.34 0.00 0.00 178.44 175.66 3hth n ARG 115 N -5.01 1.21 -3.41 1.25 1.85 -0.66 -4.68 116.66 107.20 3hth n ARG 115 Ca -0.06 -0.84 -0.27 0.00 -1.00 0.00 0.00 57.85 55.67 3hth n ARG 115 Cb 0.07 -1.48 -0.11 0.00 -1.05 0.00 0.00 32.46 29.89 3hth n ARG 115 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3hth s ARG 116 N -2.37 0.69 0.47 2.89 0.52 0.44 -5.01 118.95 116.57 3hth s ARG 116 Ca 0.25 -1.56 0.33 0.00 -0.52 0.00 0.00 55.73 54.23 3hth s ARG 116 Cb 0.19 -1.27 1.45 0.00 0.52 0.00 0.00 34.95 35.85 3hth s ARG 116 CO 0.49 -1.28 1.67 -1.00 0.02 0.00 0.00 175.30 175.20 3hth h PRO 117 N 6.49 0.10 0.00 3.54 0.13 -1.82 -0.62 132.00 139.82 3hth h PRO 117 Ca 0.13 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3hth h PRO 117 Cb 0.96 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3hth h PRO 117 CO 0.29 0.07 0.33 0.00 -0.23 0.00 0.00 178.00 178.46 3hth h ALA 118 N 1.47 1.29 -0.00 -0.56 0.00 -1.95 0.29 119.26 119.80 3hth h ALA 118 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.67 3hth h ALA 118 Cb 2.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.35 3hth h ALA 118 CO -0.26 -0.29 -0.85 1.28 0.00 0.00 0.00 179.25 179.13 3hth n LEU 119 N -2.55 1.12 -0.26 0.00 4.77 -0.24 -4.51 117.00 115.33 3hth n LEU 119 Ca -0.01 -0.55 0.05 0.00 -0.03 0.00 0.00 56.01 55.47 3hth n LEU 119 Cb 0.37 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.64 3hth n LEU 119 CO 0.10 0.26 1.04 0.03 -1.33 0.00 0.00 177.39 177.49 3hth h ARG 120 N 0.41 0.50 -0.24 3.23 2.47 -0.57 -1.36 114.38 118.82 3hth h ARG 120 Ca 0.00 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 3hth h ARG 120 Cb 0.51 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3hth h ARG 120 CO 0.00 0.33 -0.52 -1.00 0.56 0.00 0.00 179.97 179.34 3hth h PRO 121 N 0.51 0.69 -0.13 0.04 0.13 -1.79 -2.81 132.00 128.64 3hth h PRO 121 Ca 0.41 -0.42 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 3hth h PRO 121 Cb 0.57 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3hth h PRO 121 CO -0.36 1.04 -0.38 0.28 -0.23 0.00 0.00 178.00 178.34 3hth h VAL 122 N 0.54 1.30 -0.32 1.56 2.07 -1.69 -0.55 116.25 119.16 3hth h VAL 122 Ca 0.02 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 3hth h VAL 122 Cb 1.09 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3hth h VAL 122 CO 0.11 0.44 0.17 0.00 0.02 0.00 0.00 177.57 178.31 3hth h ALA 123 N 1.37 0.40 -0.95 1.67 0.00 -1.22 -1.83 119.26 118.70 3hth h ALA 123 Ca 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hth h ALA 123 Cb 0.79 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3hth h ALA 123 CO 0.06 -0.06 0.62 0.00 0.00 0.00 0.00 179.25 179.87 3hth h ALA 124 N 1.04 1.20 -0.69 0.00 0.00 -1.19 -1.94 119.26 117.69 3hth h ALA 124 Ca 0.11 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3hth h ALA 124 Cb 0.07 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.42 3hth h ALA 124 CO -0.02 0.61 0.40 0.93 0.00 0.00 0.00 179.25 181.17 3hth h GLU 125 N 1.29 0.71 0.03 0.00 5.08 -0.41 -0.37 114.58 120.91 3hth h GLU 125 Ca 0.35 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3hth h GLU 125 Cb -0.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 28.96 3hth h GLU 125 CO -0.07 0.47 -0.02 -1.49 -1.00 0.00 0.00 179.01 176.90 3hth h TRP 126 N 0.73 -0.04 -0.18 4.33 4.06 -0.75 -3.03 115.95 121.07 3hth h TRP 126 Ca 0.31 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.25 3hth h TRP 126 Cb 0.17 0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 3hth h TRP 126 CO -0.07 0.12 0.08 0.00 -3.56 0.00 0.00 178.44 175.01 3hth h ALA 127 N 0.77 1.80 -0.37 1.49 0.00 -0.98 -3.36 119.26 118.61 3hth h ALA 127 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hth h ALA 127 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hth h ALA 127 CO 0.01 0.17 0.00 -1.91 0.00 0.00 0.00 179.25 177.51 3hth n GLU 128 N -4.47 0.00 -0.33 0.00 0.00 -0.19 -2.03 120.64 113.63 3hth n GLU 128 Ca -0.00 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.48 3hth n GLU 128 Cb 0.11 -0.51 0.05 0.00 0.00 0.00 0.00 31.44 31.09 3hth n GLU 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hth n GLY 129 N -0.90 -1.70 0.26 8.31 0.00 -1.26 -1.35 105.19 108.54 3hth n GLY 129 Ca 0.00 0.95 -0.07 0.00 0.00 0.00 0.00 46.02 46.90 3hth n GLY 129 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hth h VAL 130 N 0.00 1.21 -0.53 1.61 -1.51 -1.69 -1.23 116.25 114.11 3hth h VAL 130 Ca 0.32 -0.57 -0.08 0.00 -1.23 0.00 0.00 66.70 65.14 3hth h VAL 130 Cb 0.53 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 3hth h VAL 130 CO -0.85 0.24 0.02 1.23 -1.23 0.00 0.00 177.57 176.98 3hth h GLY 131 N 0.82 0.95 0.94 5.19 0.00 -1.14 -0.81 103.07 109.03 3hth h GLY 131 Ca 0.21 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3hth h GLY 131 CO -0.03 0.59 0.12 0.00 0.00 0.00 0.00 176.54 177.22 3hth h ALA 132 N 1.20 0.28 -0.16 3.60 0.00 -0.82 -0.86 119.26 122.50 3hth h ALA 132 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3hth h ALA 132 Cb 0.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hth h ALA 132 CO 0.02 -0.18 -0.12 1.25 0.00 0.00 0.00 179.25 180.21 3hth h LEU 133 N 0.24 0.38 -0.45 0.00 6.46 -1.07 -2.38 115.31 118.48 3hth h LEU 133 Ca 0.08 -0.45 0.04 0.00 -0.12 0.00 0.00 57.88 57.43 3hth h LEU 133 Cb 0.08 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.86 3hth h LEU 133 CO -0.01 0.75 0.20 -0.07 -0.62 0.00 0.00 178.44 178.70 3hth h LEU 134 N 0.01 0.28 -0.40 2.25 3.38 -1.10 -0.53 115.31 119.20 3hth h LEU 134 Ca 0.03 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3hth h LEU 134 Cb 0.63 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3hth h LEU 134 CO 0.03 0.20 0.03 0.00 0.09 0.00 0.00 178.44 178.79 3hth h ALA 135 N 1.26 0.39 -0.70 1.53 0.00 -1.14 0.76 119.26 121.35 3hth h ALA 135 Ca 0.20 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.29 3hth h ALA 135 Cb 0.13 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 3hth h ALA 135 CO -0.16 -0.37 0.36 0.00 0.00 0.00 0.00 179.25 179.09 3hth h ALA 136 N 1.33 0.97 0.00 0.00 0.00 -0.76 -2.49 119.26 118.30 3hth h ALA 136 Ca 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3hth h ALA 136 Cb 0.26 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hth h ALA 136 CO -0.30 -0.02 -0.16 -0.09 0.00 0.00 0.00 179.25 178.68 3hth h ARG 137 N 0.63 0.00 0.00 0.00 9.65 0.03 -3.46 114.38 121.23 3hth h ARG 137 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 3hth h ARG 137 Cb 0.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3hth h ARG 137 CO -0.25 0.16 0.00 0.25 2.80 0.00 0.00 179.97 182.94 3hth n THR 138 N -3.23 0.00 -3.92 0.20 -2.24 0.15 -5.09 114.28 100.15 3hth n THR 138 Ca 0.01 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 3hth n THR 138 Cb 0.47 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 3hth n THR 138 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3hth s ASP 139 N 1.00 0.14 0.38 3.42 -4.77 -1.23 -4.92 116.67 110.69 3hth s ASP 139 Ca 0.00 -0.77 0.13 0.00 -3.30 0.00 0.00 52.55 48.61 3hth s ASP 139 Cb 0.00 0.35 0.95 0.00 -1.09 0.00 0.00 42.92 43.13 3hth s ASP 139 CO 0.00 -0.76 1.83 1.55 0.70 0.00 0.00 175.17 178.49 3hth h PRO 140 N 2.73 0.54 0.55 2.11 0.13 -1.93 -1.13 132.00 135.00 3hth h PRO 140 Ca -0.33 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 3hth h PRO 140 Cb 1.20 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.22 3hth h PRO 140 CO 0.55 0.36 -0.27 1.15 -0.23 0.00 0.00 178.00 179.56 3hth h THR 141 N 0.55 0.04 0.00 1.56 2.02 -1.98 -2.63 112.91 112.48 3hth h THR 141 Ca 0.51 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3hth h THR 141 Cb 1.05 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3hth h THR 141 CO -0.24 0.01 0.24 0.74 0.37 0.00 0.00 175.52 176.64 3hth h THR 142 N -1.18 0.00 0.17 3.16 2.02 -1.82 -0.34 112.91 114.92 3hth h THR 142 Ca -0.08 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.77 3hth h THR 142 Cb 0.58 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3hth h THR 142 CO 0.12 0.00 -1.67 0.00 0.37 0.00 0.00 175.52 174.35 3hth h ALA 143 N 1.44 0.16 -0.80 6.16 0.00 -1.12 -2.91 119.26 122.20 3hth h ALA 143 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 54.91 53.79 3hth h ALA 143 Cb 0.49 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3hth h ALA 143 CO 0.00 0.98 0.53 0.00 0.00 0.00 0.00 179.25 180.75 3hth h ARG 144 N -0.00 1.04 0.83 0.00 3.08 -0.69 0.56 114.38 119.20 3hth h ARG 144 Ca -0.34 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 3hth h ARG 144 Cb 2.01 -0.23 0.01 0.00 0.08 0.00 0.00 29.97 31.83 3hth h ARG 144 CO 0.15 0.69 -0.40 0.00 -1.07 0.00 0.00 179.97 179.34 3hth h ALA 145 N 1.51 -1.21 -0.82 0.04 0.00 -1.54 0.17 119.26 117.40 3hth h ALA 145 Ca 0.29 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 55.14 3hth h ALA 145 Cb -0.11 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.00 3hth h ALA 145 CO -0.07 -1.13 0.32 -0.07 0.00 0.00 0.00 179.25 178.30 3hth h LEU 146 N -1.19 0.25 -1.17 0.00 3.38 -1.28 0.50 115.31 115.80 3hth h LEU 146 Ca -0.11 0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3hth h LEU 146 Cb 0.85 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3hth h LEU 146 CO 0.19 0.04 -0.30 0.58 0.09 0.00 0.00 178.44 179.04 3hth h VAL 147 N 0.40 1.25 0.41 1.22 2.07 -0.70 -0.89 116.25 120.01 3hth h VAL 147 Ca 0.48 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3hth h VAL 147 Cb 0.82 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3hth h VAL 147 CO -0.48 0.36 -0.20 0.00 0.02 0.00 0.00 177.57 177.28 3hth h ALA 148 N 1.52 -0.55 -0.90 1.67 0.00 0.29 -2.42 119.26 118.88 3hth h ALA 148 Ca 0.03 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hth h ALA 148 Cb 0.62 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3hth h ALA 148 CO 0.04 -0.61 0.59 -0.24 0.00 0.00 0.00 179.25 179.03 3hth h VAL 149 N -0.95 1.09 0.09 0.00 3.04 -0.89 -0.29 116.25 118.34 3hth h VAL 149 Ca -0.06 -0.36 0.01 0.00 -1.01 0.00 0.00 66.70 65.29 3hth h VAL 149 Cb 0.55 -0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 3hth h VAL 149 CO 0.09 0.19 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.63 3hth h LEU 150 N 1.04 -0.39 -1.36 3.16 3.38 -1.14 0.88 115.31 120.89 3hth h LEU 150 Ca 0.38 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.41 3hth h LEU 150 Cb 0.15 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3hth h LEU 150 CO -0.14 -0.21 0.44 0.44 0.09 0.00 0.00 178.44 179.07 3hth h ASP 151 N -0.29 0.75 -0.09 -0.43 3.45 -0.86 -0.74 116.42 118.22 3hth h ASP 151 Ca 0.02 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 3hth h ASP 151 Cb 0.30 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.88 3hth h ASP 151 CO -0.08 0.53 -0.01 1.23 -1.57 0.00 0.00 179.24 179.35 3hth h GLY 152 N 0.88 0.17 2.00 2.75 0.00 0.15 -2.51 103.07 106.50 3hth h GLY 152 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3hth h GLY 152 CO -0.06 0.12 -0.03 -2.22 0.00 0.00 0.00 176.54 174.36 3hth h ILE 153 N -0.15 0.31 0.00 2.60 2.04 0.13 -1.76 117.51 120.67 3hth h ILE 153 Ca 0.02 -0.17 -0.20 0.00 1.00 0.00 0.00 64.86 65.51 3hth h ILE 153 Cb 0.39 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3hth h ILE 153 CO 0.01 0.03 -1.11 0.00 0.00 0.00 0.00 178.15 177.08 3hth h LEU 155 N 0.00 0.26 -1.66 0.00 -0.00 -1.02 0.17 115.31 113.06 3hth h LEU 155 Ca -0.09 -0.96 0.11 0.00 -0.00 0.00 0.00 57.88 56.94 3hth h LEU 155 Cb 1.71 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 42.27 3hth h LEU 155 CO 0.09 1.20 0.60 -0.61 -0.00 0.00 0.00 178.44 179.71 3hth h GLN 156 N -0.64 0.00 0.00 1.13 -0.00 -1.45 0.77 115.11 114.92 3hth h GLN 156 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.35 3hth h GLN 156 Cb 1.33 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.77 3hth h GLN 156 CO 0.08 0.00 -1.55 0.28 0.00 0.00 0.00 178.83 177.64 3hth n VAL 157 N -3.31 1.51 0.21 2.39 0.31 -1.17 -3.21 118.33 115.05 3hth n VAL 157 Ca 0.07 -0.08 0.14 0.00 -0.01 0.00 0.00 64.34 64.46 3hth n VAL 157 Cb 0.75 -2.12 0.74 0.00 -0.91 0.00 0.00 33.84 32.30 3hth n VAL 157 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hth h LEU 158 N -1.00 0.00 0.00 7.52 3.38 0.40 -1.36 115.31 124.25 3hth h LEU 158 Ca -0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3hth h LEU 158 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3hth h LEU 158 CO -0.20 0.00 -0.99 0.18 0.09 0.00 0.00 178.44 177.52 3hth n LEU 159 N -2.46 1.76 0.00 1.67 4.77 0.25 -4.41 117.00 118.59 3hth n LEU 159 Ca -0.02 0.29 0.05 0.00 -0.03 0.00 0.00 56.01 56.30 3hth n LEU 159 Cb 0.05 -0.66 0.24 0.00 -2.33 0.00 0.00 43.42 40.71 3hth n LEU 159 CO 0.12 -0.26 0.59 0.35 -1.33 0.00 0.00 177.39 176.87 3hth n THR 160 N -4.25 0.81 -0.85 -5.08 -2.24 -1.20 -4.78 114.28 96.69 3hth n THR 160 Ca -0.15 0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.79 3hth n THR 160 Cb 0.47 -1.04 -0.02 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.29 -3.92 -3.56 3.42 4.64 -0.51 -4.93 116.55 110.40 3hth n ASP 161 Ca 0.04 0.09 -0.29 0.00 -1.38 0.00 0.00 54.79 53.25 3hth n ASP 161 Cb 0.08 -2.73 0.24 0.00 -1.04 0.00 0.00 41.12 37.67 3hth n ASP 161 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 3hth n THR 162 N -1.48 0.00 0.00 5.18 -2.24 -1.25 -5.04 114.28 109.45 3hth n THR 162 Ca -0.04 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3hth n THR 162 Cb 0.36 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 3hth n THR 162 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3hth n PRO 163 N -4.65 0.00 0.00 -0.78 -0.02 -1.26 -4.89 135.00 123.40 3hth n PRO 163 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3hth n PRO 163 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3hth n PRO 163 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3hth n TYR 164 N 0.00 0.00 -3.13 6.00 9.36 -1.26 -4.87 117.16 123.26 3hth n TYR 164 Ca 0.00 0.00 -0.18 0.00 3.32 0.00 0.00 57.90 61.04 3hth n TYR 164 Cb 0.00 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.73 3hth n TYR 164 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3hth n ASP 165 N -1.12 -7.00 -0.34 2.98 -0.08 -1.26 -4.71 116.55 105.01 3hth n ASP 165 Ca 0.00 0.18 -0.02 0.00 -1.51 0.00 0.00 54.79 53.45 3hth n ASP 165 Cb 0.00 -4.01 0.14 0.00 2.34 0.00 0.00 41.12 39.59 3hth n ASP 165 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3hth h GLU 166 N 1.77 1.25 0.00 -0.67 4.81 -1.99 -1.52 114.58 118.24 3hth h GLU 166 Ca -0.22 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3hth h GLU 166 Cb 1.15 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3hth h GLU 166 CO 0.23 0.84 0.00 -0.85 -0.73 0.00 0.00 179.01 178.49 3hth n GLU 167 N -4.38 0.07 0.05 1.92 0.28 -1.26 -1.22 120.64 116.10 3hth n GLU 167 Ca 0.11 0.31 -0.03 0.00 -0.16 0.00 0.00 57.16 57.39 3hth n GLU 167 Cb 0.02 -1.63 -0.01 0.00 1.43 0.00 0.00 31.44 31.25 3hth n GLU 167 CO 0.00 0.00 0.00 -0.92 -0.16 0.00 0.00 177.13 176.05 3hth h TYR 168 N 0.00 -0.17 -0.52 -1.84 3.20 -1.59 -3.12 116.97 112.93 3hth h TYR 168 Ca 0.00 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3hth h TYR 168 Cb 0.29 0.05 -0.10 0.00 1.54 0.00 0.00 36.73 38.51 3hth h TYR 168 CO 0.00 -0.10 -0.20 0.00 -1.64 0.00 0.00 178.16 176.22 3hth h ALA 169 N -1.48 0.20 -0.74 1.82 0.00 -1.35 -0.93 119.26 116.78 3hth h ALA 169 Ca -0.02 0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.23 3hth h ALA 169 Cb 0.14 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 3hth h ALA 169 CO 0.03 -0.52 -0.15 -0.09 0.00 0.00 0.00 179.25 178.52 3hth h ARG 170 N -0.08 0.02 -0.39 0.00 2.43 -1.28 0.13 114.38 115.22 3hth h ARG 170 Ca 0.24 -0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.29 3hth h ARG 170 Cb 0.46 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3hth h ARG 170 CO -0.57 0.01 -0.25 1.49 -1.51 0.00 0.00 179.97 179.14 3hth h GLU 171 N 0.02 0.85 0.22 0.20 4.81 -1.15 -1.38 114.58 118.14 3hth h GLU 171 Ca 0.36 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3hth h GLU 171 Cb 0.58 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hth h GLU 171 CO -0.74 1.04 -0.14 0.28 -0.73 0.00 0.00 179.01 178.72 3hth h VAL 172 N 0.66 0.70 -0.23 0.32 2.07 -0.05 -2.50 116.25 117.21 3hth h VAL 172 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 3hth h VAL 172 Cb 0.82 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3hth h VAL 172 CO 0.07 0.00 -0.12 -0.07 0.02 0.00 0.00 177.57 177.47 3hth h LEU 173 N -0.35 -0.39 -1.80 2.57 3.38 -0.81 -1.21 115.31 116.71 3hth h LEU 173 Ca -0.02 0.09 0.32 0.00 0.09 0.00 0.00 57.88 58.37 3hth h LEU 173 Cb 0.30 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3hth h LEU 173 CO 0.02 -0.15 0.80 0.74 0.09 0.00 0.00 178.44 179.94 3hth h THR 174 N -0.09 0.43 -0.26 0.22 2.02 -0.87 0.17 112.91 114.54 3hth h THR 174 Ca 0.12 -0.04 -0.18 0.00 0.77 0.00 0.00 66.41 67.09 3hth h THR 174 Cb 0.28 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3hth h THR 174 CO -0.29 0.02 -0.54 0.03 0.37 0.00 0.00 175.52 175.11 3hth h ARG 175 N 0.11 0.78 -0.29 6.66 3.08 -0.80 -3.09 114.38 120.83 3hth h ARG 175 Ca 0.58 -0.49 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3hth h ARG 175 Cb 2.06 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 32.15 3hth h ARG 175 CO -0.10 1.12 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.59 3hth h LEU 176 N 0.60 0.57 -0.34 3.04 3.38 -0.59 -3.52 115.31 118.44 3hth h LEU 176 Ca 0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hth h LEU 176 Cb 1.13 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3hth h LEU 176 CO 0.12 0.81 0.00 -0.38 0.09 0.00 0.00 178.44 179.08