#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hta n PRO 7 N 0.00 3.56 -1.06 0.11 -0.02 -1.26 -4.96 135.00 131.37 3hta n PRO 7 Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 3hta n PRO 7 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.49 3hta n PRO 7 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3hta n GLU 8 N 0.00 1.98 0.00 -0.52 2.13 -1.26 -4.43 120.64 118.54 3hta n GLU 8 Ca 0.00 -1.78 0.14 0.00 0.66 0.00 0.00 57.16 56.17 3hta n GLU 8 Cb 0.00 -1.77 0.49 0.00 0.27 0.00 0.00 31.44 30.43 3hta n GLU 8 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hta n ARG 9 N 0.50 1.23 -0.32 5.31 1.74 -1.26 -4.16 116.66 119.69 3hta n ARG 9 Ca 0.36 -0.68 0.06 0.00 -0.77 0.00 0.00 57.85 56.81 3hta n ARG 9 Cb 0.58 -1.49 0.21 0.00 -1.02 0.00 0.00 32.46 30.75 3hta n ARG 9 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3hta h ARG 10 N 1.67 0.81 0.00 5.56 2.43 -1.98 0.14 114.38 123.02 3hta h ARG 10 Ca 0.00 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 58.93 3hta h ARG 10 Cb 0.47 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hta h ARG 10 CO 0.00 0.54 -0.86 0.37 -1.51 0.00 0.00 179.97 178.50 3hta h GLN 11 N 0.84 0.19 -0.36 0.20 5.75 -1.97 -2.04 115.11 117.71 3hta h GLN 11 Ca 0.46 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.73 3hta h GLN 11 Cb 0.50 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 3hta h GLN 11 CO -0.28 0.94 0.12 0.00 -2.65 0.00 0.00 178.83 176.95 3hta h ARG 12 N 0.11 0.56 -0.60 1.69 2.47 -1.47 -1.96 114.38 115.17 3hta h ARG 12 Ca -0.04 -0.12 -0.09 0.00 -1.26 0.00 0.00 59.98 58.48 3hta h ARG 12 Cb 1.49 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 29.70 3hta h ARG 12 CO 0.13 0.57 0.04 0.82 0.56 0.00 0.00 179.97 182.09 3hta h ILE 13 N 0.43 1.26 -0.60 2.04 2.04 -1.00 -2.00 117.51 119.68 3hta h ILE 13 Ca 0.12 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 3hta h ILE 13 Cb 0.24 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3hta h ILE 13 CO -0.00 0.40 0.25 0.40 0.00 0.00 0.00 178.15 179.19 3hta h ILE 14 N 0.93 1.23 -0.57 -0.67 2.04 -1.26 -0.24 117.51 118.97 3hta h ILE 14 Ca 0.18 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 3hta h ILE 14 Cb 0.50 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3hta h ILE 14 CO 0.02 0.27 0.16 0.44 0.00 0.00 0.00 178.15 179.04 3hta h ASP 15 N 0.83 0.85 -0.65 1.72 3.32 -1.19 -2.44 116.42 118.84 3hta h ASP 15 Ca 0.20 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3hta h ASP 15 Cb 0.19 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3hta h ASP 15 CO -0.02 0.85 0.11 0.00 -1.72 0.00 0.00 179.24 178.46 3hta h ALA 16 N 1.03 0.87 -0.63 3.45 0.00 -1.13 -0.82 119.26 122.03 3hta h ALA 16 Ca 0.18 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hta h ALA 16 Cb 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hta h ALA 16 CO -0.00 0.63 0.41 0.00 0.00 0.00 0.00 179.25 180.29 3hta h ALA 17 N 1.04 1.72 -0.02 0.00 0.00 -0.80 0.28 119.26 121.49 3hta h ALA 17 Ca 0.20 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3hta h ALA 17 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hta h ALA 17 CO 0.01 0.20 -0.81 0.82 0.00 0.00 0.00 179.25 179.48 3hta h ILE 18 N 0.69 1.46 -0.35 0.00 2.04 -0.96 -2.66 117.51 117.73 3hta h ILE 18 Ca 0.26 -2.43 -0.07 0.00 1.00 0.00 0.00 64.86 63.62 3hta h ILE 18 Cb 0.16 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3hta h ILE 18 CO -0.08 0.71 -0.07 0.03 0.00 0.00 0.00 178.15 178.75 3hta h ARG 19 N 0.14 0.66 -0.15 2.37 3.08 0.53 -2.18 114.38 118.83 3hta h ARG 19 Ca -0.04 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 3hta h ARG 19 Cb 1.40 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.40 3hta h ARG 19 CO 0.13 0.82 0.08 0.28 -1.07 0.00 0.00 179.97 180.20 3hta h VAL 20 N 0.46 1.10 -0.52 2.04 2.07 -0.56 -2.38 116.25 118.44 3hta h VAL 20 Ca 0.09 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3hta h VAL 20 Cb 0.56 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3hta h VAL 20 CO 0.03 0.09 0.35 0.58 0.02 0.00 0.00 177.57 178.64 3hta h VAL 21 N 0.14 1.14 -0.51 2.57 2.07 -1.44 0.32 116.25 120.54 3hta h VAL 21 Ca 0.05 -0.24 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3hta h VAL 21 Cb 0.07 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3hta h VAL 21 CO -0.01 0.13 -0.11 1.23 0.02 0.00 0.00 177.57 178.83 3hta h GLY 22 N 0.71 1.03 0.00 2.17 0.00 -1.06 0.02 103.07 105.94 3hta h GLY 22 Ca 0.19 -0.81 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 3hta h GLY 22 CO -0.04 0.74 -0.65 1.46 0.00 0.00 0.00 176.54 178.05 3hta h GLN 23 N 0.85 0.00 0.00 4.80 4.20 -0.92 -3.40 115.11 120.64 3hta h GLN 23 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hta h GLN 23 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3hta h GLN 23 CO 0.05 0.54 -0.66 1.63 -0.67 0.00 0.00 178.83 179.71 3hta n LYS 24 N -4.57 0.05 0.00 1.46 4.76 0.11 -5.08 118.16 114.89 3hta n LYS 24 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 3hta n LYS 24 Cb 0.42 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3hta n LYS 24 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hta n GLY 25 N 1.48 -1.63 0.44 0.72 0.00 -0.01 -3.93 105.19 102.26 3hta n GLY 25 Ca 0.05 -1.54 0.26 0.00 0.00 0.00 0.00 46.02 44.78 3hta n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hta h ILE 26 N 0.00 0.60 0.00 -0.61 2.10 -1.88 0.17 117.51 117.89 3hta h ILE 26 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 3hta h ILE 26 Cb 0.00 0.52 0.00 0.00 -1.09 0.00 0.00 36.82 36.25 3hta h ILE 26 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 3hta n ALA 27 N -2.67 1.81 -0.09 0.18 0.00 -1.26 -2.39 120.51 116.10 3hta n ALA 27 Ca 0.17 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.74 3hta n ALA 27 Cb 0.86 -1.36 0.28 0.00 0.00 0.00 0.00 19.45 19.23 3hta n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hta n GLY 28 N 0.33 2.18 3.60 0.00 0.00 0.59 -4.90 105.19 106.99 3hta n GLY 28 Ca 0.04 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 3hta n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hta s LEU 29 N -1.20 4.09 0.15 0.99 2.96 -1.01 -4.85 118.68 119.82 3hta s LEU 29 Ca 0.45 0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 3hta s LEU 29 Cb 0.24 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.35 3hta s LEU 29 CO 0.33 -0.28 0.17 -0.94 -1.32 0.00 0.00 176.35 174.31 3hta s SER 30 N 1.61 0.17 0.30 3.68 1.04 -1.26 -5.02 113.70 114.21 3hta s SER 30 Ca 0.18 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.56 3hta s SER 30 Cb -0.16 0.37 0.57 0.00 0.10 0.00 0.00 66.02 66.90 3hta s SER 30 CO 0.10 -0.82 1.86 0.45 0.98 0.00 0.00 173.24 175.81 3hta h HIS 31 N 2.69 1.09 -0.24 5.02 3.86 -1.98 -2.50 115.15 123.08 3hta h HIS 31 Ca -0.33 0.03 -0.15 0.00 -1.16 0.00 0.00 60.37 58.76 3hta h HIS 31 Cb 1.22 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.34 3hta h HIS 31 CO 0.41 0.48 -0.44 0.00 0.86 0.00 0.00 177.93 179.24 3hta h ARG 32 N 0.99 0.72 -0.65 2.45 3.08 -1.96 -2.48 114.38 116.53 3hta h ARG 32 Ca 0.46 -0.45 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 3hta h ARG 32 Cb 0.41 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3hta h ARG 32 CO -0.22 1.08 0.25 1.79 -1.07 0.00 0.00 179.97 181.80 3hta h THR 33 N 0.45 1.23 -0.13 2.04 1.35 -1.82 -0.72 112.91 115.31 3hta h THR 33 Ca 0.01 -0.72 -0.22 0.00 -0.55 0.00 0.00 66.41 64.93 3hta h THR 33 Cb 1.04 0.46 0.01 0.00 -1.73 0.00 0.00 68.15 67.93 3hta h THR 33 CO 0.10 0.29 -0.78 -0.37 -0.25 0.00 0.00 175.52 174.50 3hta h VAL 34 N 0.93 1.29 -0.19 6.82 -1.51 -1.49 -0.16 116.25 121.95 3hta h VAL 34 Ca 0.22 -1.99 0.04 0.00 -1.23 0.00 0.00 66.70 63.74 3hta h VAL 34 Cb 0.19 2.07 -0.04 0.00 -2.13 0.00 0.00 31.29 31.38 3hta h VAL 34 CO -0.02 0.63 -0.07 0.00 -1.23 0.00 0.00 177.57 176.88 3hta h ALA 35 N 0.52 0.10 -0.56 5.19 0.00 -1.19 1.00 119.26 124.32 3hta h ALA 35 Ca -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hta h ALA 35 Cb 1.42 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 3hta h ALA 35 CO 0.16 -0.50 0.29 0.00 0.00 0.00 0.00 179.25 179.21 3hta h ALA 36 N 1.14 0.72 -0.20 0.00 0.00 -1.10 0.63 119.26 120.45 3hta h ALA 36 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3hta h ALA 36 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hta h ALA 36 CO -0.21 0.26 -0.44 1.49 0.00 0.00 0.00 179.25 180.36 3hta h GLU 37 N 0.76 0.49 -0.00 0.00 4.57 -0.31 -2.98 114.58 117.11 3hta h GLU 37 Ca 0.20 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3hta h GLU 37 Cb 0.08 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3hta h GLU 37 CO -0.03 0.84 -0.28 0.00 -1.18 0.00 0.00 179.01 178.36 3hta n ALA 38 N -2.50 3.08 -3.42 2.92 0.00 0.34 -4.93 120.51 116.00 3hta n ALA 38 Ca -0.02 -0.32 -0.19 0.00 0.00 0.00 0.00 53.44 52.91 3hta n ALA 38 Cb 0.53 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.83 3hta n ALA 38 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hta n ASP 39 N -1.11 -4.70 -3.92 0.00 2.03 0.14 -4.92 116.55 104.07 3hta n ASP 39 Ca 0.10 -0.76 -0.10 0.00 0.52 0.00 0.00 54.79 54.55 3hta n ASP 39 Cb 0.33 -4.73 -0.10 0.00 -0.72 0.00 0.00 41.12 35.89 3hta n ASP 39 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hta s VAL 40 N -3.44 0.10 0.76 5.18 -7.23 -0.75 -5.05 120.40 109.97 3hta s VAL 40 Ca 0.30 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.50 3hta s VAL 40 Cb -0.06 -0.43 0.05 0.00 0.56 0.00 0.00 36.38 36.50 3hta s VAL 40 CO 0.77 -0.45 1.19 -0.81 -0.31 0.00 0.00 175.10 175.49 3hta n PRO 41 N 1.41 0.47 0.25 4.82 -0.04 -1.26 -4.47 135.00 136.19 3hta n PRO 41 Ca -0.23 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 3hta n PRO 41 Cb 0.56 -2.43 0.63 0.00 -0.04 0.00 0.00 33.50 32.21 3hta n PRO 41 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hta h LEU 42 N -0.44 0.00 -1.40 1.53 5.85 -1.93 -1.75 115.31 117.18 3hta h LEU 42 Ca -0.48 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3hta h LEU 42 Cb 1.31 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 3hta h LEU 42 CO 0.48 0.09 -0.21 1.23 -0.34 0.00 0.00 178.44 179.69 3hta h GLY 43 N 0.30 0.14 0.67 3.75 0.00 -1.99 -2.52 103.07 103.42 3hta h GLY 43 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3hta h GLY 43 CO 0.01 0.09 -0.13 0.23 0.00 0.00 0.00 176.54 176.74 3hta h SER 44 N 0.12 -0.31 -0.78 0.19 0.87 -1.67 -2.34 113.55 109.64 3hta h SER 44 Ca 0.02 -0.19 0.14 0.00 -1.23 0.00 0.00 61.79 60.53 3hta h SER 44 Cb 0.45 0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 62.34 3hta h SER 44 CO 0.03 0.05 -0.30 0.74 -0.53 0.00 0.00 176.83 176.83 3hta h THR 45 N -0.70 0.13 0.00 2.23 2.02 -1.35 -1.06 112.91 114.18 3hta h THR 45 Ca -0.04 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.02 3hta h THR 45 Cb 0.48 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3hta h THR 45 CO 0.06 0.00 -0.57 0.71 0.37 0.00 0.00 175.52 176.09 3hta h THR 46 N -0.06 1.22 -0.09 3.16 1.35 -1.49 -1.37 112.91 115.63 3hta h THR 46 Ca 0.32 -2.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.10 3hta h THR 46 Cb 0.58 2.18 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3hta h THR 46 CO -0.82 0.56 0.01 0.22 -0.25 0.00 0.00 175.52 175.23 3hta h TYR 47 N 0.00 0.16 -0.18 4.73 3.20 -0.65 -1.51 116.97 122.71 3hta h TYR 47 Ca -0.01 -0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.65 3hta h TYR 47 Cb 1.13 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.36 3hta h TYR 47 CO 0.00 0.39 -0.66 0.45 -1.64 0.00 0.00 178.16 176.70 3hta h HIS 48 N -0.12 0.90 -2.71 -3.82 3.86 -1.34 -3.39 115.15 108.53 3hta h HIS 48 Ca 0.03 -0.36 -0.60 0.00 -1.16 0.00 0.00 60.37 58.27 3hta h HIS 48 Cb 0.32 -0.15 -0.39 0.00 1.06 0.00 0.00 27.41 28.24 3hta h HIS 48 CO 0.03 1.16 -0.81 -0.06 0.86 0.00 0.00 177.93 179.10 3hta s PHE 49 N -3.88 1.69 0.12 2.45 0.40 -0.52 -4.99 117.98 113.24 3hta s PHE 49 Ca -0.09 -2.38 -0.29 0.00 -0.60 0.00 0.00 56.93 53.57 3hta s PHE 49 Cb 0.10 -1.50 -0.09 0.00 0.51 0.00 0.00 43.02 42.03 3hta s PHE 49 CO 0.88 -0.77 1.48 0.00 0.70 0.00 0.00 175.22 177.51 3hta h ALA 50 N 6.20 -0.70 -1.83 5.36 0.00 -1.49 -3.40 119.26 123.41 3hta h ALA 50 Ca 0.12 0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.60 3hta h ALA 50 Cb 0.90 1.11 0.04 0.00 0.00 0.00 0.00 17.79 19.85 3hta h ALA 50 CO 0.44 -0.95 -0.08 0.95 0.00 0.00 0.00 179.25 179.61 3hta s THR 51 N -5.32 2.96 -0.01 0.00 -4.23 -1.26 -4.90 115.64 102.89 3hta s THR 51 Ca -0.12 -0.68 0.15 0.00 -1.18 0.00 0.00 61.69 59.85 3hta s THR 51 Cb 0.08 -3.09 0.05 0.00 1.34 0.00 0.00 72.50 70.87 3hta s THR 51 CO 0.54 -0.06 1.52 0.25 -0.54 0.00 0.00 174.62 176.33 3hta h LEU 52 N 0.21 0.00 -0.79 4.79 5.85 -2.01 -3.06 115.31 120.29 3hta h LEU 52 Ca -0.43 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 3hta h LEU 52 Cb 1.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 3hta h LEU 52 CO 0.52 0.53 0.28 0.44 -0.34 0.00 0.00 178.44 179.88 3hta h ASP 53 N 0.00 1.10 -0.75 1.25 3.32 -1.95 -1.32 116.42 118.07 3hta h ASP 53 Ca -0.01 -0.19 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3hta h ASP 53 Cb 1.28 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.51 3hta h ASP 53 CO 0.07 0.99 0.35 0.44 -1.72 0.00 0.00 179.24 179.37 3hta h ASP 54 N 1.15 1.00 -0.09 6.45 3.45 -1.89 0.30 116.42 126.78 3hta h ASP 54 Ca 0.26 -0.14 -0.14 0.00 0.43 0.00 0.00 57.03 57.43 3hta h ASP 54 Cb 0.26 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 3hta h ASP 54 CO -0.02 0.86 -0.43 0.25 -1.57 0.00 0.00 179.24 178.33 3hta h LEU 55 N 1.07 0.67 -0.27 1.55 5.85 -1.47 -2.72 115.31 119.99 3hta h LEU 55 Ca 0.26 -0.31 -0.21 0.00 0.84 0.00 0.00 57.88 58.46 3hta h LEU 55 Cb 0.14 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3hta h LEU 55 CO -0.03 1.01 -0.77 0.24 -0.34 0.00 0.00 178.44 178.55 3hta h MET 56 N 0.51 0.60 -0.10 1.25 2.86 -0.83 -1.39 114.93 117.83 3hta h MET 56 Ca 0.04 -0.50 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3hta h MET 56 Cb 0.96 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 3hta h MET 56 CO 0.09 1.12 0.00 0.28 1.06 0.00 0.00 176.91 179.46 3hta h VAL 57 N 0.40 1.07 0.13 -2.22 2.07 -0.36 0.50 116.25 117.85 3hta h VAL 57 Ca -0.05 -0.25 -0.28 0.00 0.82 0.00 0.00 66.70 66.94 3hta h VAL 57 Cb 1.38 1.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3hta h VAL 57 CO 0.15 0.08 -1.27 0.00 0.02 0.00 0.00 177.57 176.55 3hta h ALA 58 N 1.87 0.09 -0.20 1.67 0.00 -1.32 -2.31 119.26 119.07 3hta h ALA 58 Ca 0.03 -0.90 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 3hta h ALA 58 Cb 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hta h ALA 58 CO 0.00 0.97 -0.41 0.00 0.00 0.00 0.00 179.25 179.82 3hta h ALA 59 N 0.56 0.93 -0.06 0.00 0.00 -0.60 -2.57 119.26 117.52 3hta h ALA 59 Ca -0.14 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 3hta h ALA 59 Cb 1.98 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3hta h ALA 59 CO 0.21 0.63 -0.28 1.25 0.00 0.00 0.00 179.25 181.06 3hta h LEU 60 N 0.38 0.35 -1.16 0.00 5.85 -0.97 -0.95 115.31 118.81 3hta h LEU 60 Ca 0.03 -0.65 0.14 0.00 0.84 0.00 0.00 57.88 58.24 3hta h LEU 60 Cb 0.88 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 3hta h LEU 60 CO 0.07 0.94 0.60 0.03 -0.34 0.00 0.00 178.44 179.75 3hta h ARG 61 N -0.22 0.80 0.04 1.25 3.08 -1.37 0.61 114.38 118.56 3hta h ARG 61 Ca -0.02 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.76 3hta h ARG 61 Cb 0.93 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 3hta h ARG 61 CO 0.06 0.53 -1.01 0.37 -1.07 0.00 0.00 179.97 178.84 3hta h GLN 62 N 0.82 0.23 -0.40 0.04 4.15 -1.44 -3.25 115.11 115.26 3hta h GLN 62 Ca 0.48 -0.30 -0.11 0.00 0.77 0.00 0.00 58.65 59.48 3hta h GLN 62 Cb 0.63 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 3hta h GLN 62 CO -0.24 1.06 -0.21 0.00 -1.93 0.00 0.00 178.83 177.52 3hta h ALA 63 N 0.82 0.89 0.00 3.38 0.00 -0.01 -2.36 119.26 121.98 3hta h ALA 63 Ca -0.07 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3hta h ALA 63 Cb 1.69 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3hta h ALA 63 CO 0.16 0.63 0.08 0.09 0.00 0.00 0.00 179.25 180.21 3hta n ASN 64 N -4.12 0.00 0.25 0.00 3.02 0.09 -1.06 115.26 113.45 3hta n ASN 64 Ca 0.00 0.39 0.14 0.00 -0.03 0.00 0.00 54.58 55.08 3hta n ASN 64 Cb 0.42 -0.39 0.60 0.00 -0.61 0.00 0.00 39.78 39.81 3hta n ASN 64 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3hta h GLU 65 N 0.00 0.00 0.88 3.52 5.08 -1.56 -2.88 114.58 119.63 3hta h GLU 65 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3hta h GLU 65 Cb 0.16 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 3hta h GLU 65 CO 0.00 0.10 -0.42 0.78 -1.00 0.00 0.00 179.01 178.47 3hta h GLY 66 N 1.95 -1.24 1.13 -3.84 0.00 -1.31 -1.85 103.07 97.91 3hta h GLY 66 Ca -0.00 0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 3hta h GLY 66 CO 0.01 -0.45 0.41 -2.75 0.00 0.00 0.00 176.54 173.76 3hta h PHE 67 N -1.27 1.12 -0.61 5.60 3.57 -1.78 -2.89 116.94 120.69 3hta h PHE 67 Ca -0.12 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 3hta h PHE 67 Cb 0.92 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3hta h PHE 67 CO -0.00 0.80 0.32 0.00 -2.23 0.00 0.00 178.31 177.19 3hta h ALA 68 N 1.32 1.42 0.04 2.41 0.00 -1.44 -1.58 119.26 121.42 3hta h ALA 68 Ca 0.28 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hta h ALA 68 Cb 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hta h ALA 68 CO -0.04 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 3hta h ARG 69 N 0.85 -0.06 -0.61 0.00 3.08 -1.12 -1.92 114.38 114.61 3hta h ARG 69 Ca 0.22 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.34 3hta h ARG 69 Cb 0.05 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 3hta h ARG 69 CO -0.03 0.21 0.30 0.28 -1.07 0.00 0.00 179.97 179.65 3hta h VAL 70 N -0.32 0.90 -0.89 2.04 2.07 -1.45 -0.06 116.25 118.54 3hta h VAL 70 Ca -0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3hta h VAL 70 Cb 0.29 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3hta h VAL 70 CO 0.01 0.10 0.58 0.58 0.02 0.00 0.00 177.57 178.86 3hta h VAL 71 N 0.54 1.23 -0.04 2.57 2.07 -1.22 -1.36 116.25 120.05 3hta h VAL 71 Ca 0.28 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3hta h VAL 71 Cb 0.24 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3hta h VAL 71 CO -0.22 0.22 -0.22 0.00 0.02 0.00 0.00 177.57 177.38 3hta h ALA 72 N 1.44 1.56 -0.17 1.67 0.00 -0.26 -2.15 119.26 121.35 3hta h ALA 72 Ca 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hta h ALA 72 Cb -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hta h ALA 72 CO -0.07 0.32 0.04 0.00 0.00 0.00 0.00 179.25 179.54 3hta n ALA 73 N -2.49 2.95 -3.13 0.00 0.00 -0.22 -4.13 120.51 113.49 3hta n ALA 73 Ca -0.02 -0.54 -0.17 0.00 0.00 0.00 0.00 53.44 52.70 3hta n ALA 73 Cb 0.29 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3hta n ALA 73 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hta n HIS 74 N 0.14 -0.30 0.30 0.00 8.25 -0.81 -4.96 115.22 117.85 3hta n HIS 74 Ca 0.09 -3.56 0.16 0.00 -0.26 0.00 0.00 57.72 54.15 3hta n HIS 74 Cb 0.56 -0.13 0.87 0.00 1.12 0.00 0.00 29.99 32.41 3hta n HIS 74 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3hta h PRO 75 N 3.11 0.00 0.00 -0.41 0.13 -1.76 -0.54 132.00 132.53 3hta h PRO 75 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3hta h PRO 75 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3hta h PRO 75 CO 0.45 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.22 3hta n ALA 76 N -1.90 1.67 0.51 -0.56 0.00 -1.26 -1.80 120.51 117.18 3hta n ALA 76 Ca -0.02 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.45 3hta n ALA 76 Cb 0.25 -1.22 0.37 0.00 0.00 0.00 0.00 19.45 18.84 3hta n ALA 76 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hta n LEU 77 N -1.43 0.14 -0.00 0.00 7.94 -0.21 -2.29 117.00 121.15 3hta n LEU 77 Ca 0.04 0.53 0.04 0.00 -1.11 0.00 0.00 56.01 55.51 3hta n LEU 77 Cb 0.14 -0.51 -0.05 0.00 0.53 0.00 0.00 43.42 43.53 3hta n LEU 77 CO 0.12 -0.29 -0.16 -1.20 -1.11 0.00 0.00 177.39 174.75 3hta n SER 78 N -1.65 1.05 -4.66 1.96 7.64 -0.74 -4.91 113.62 112.29 3hta n SER 78 Ca 0.03 -0.51 -0.43 0.00 1.01 0.00 0.00 58.87 58.97 3hta n SER 78 Cb 0.20 1.09 -0.02 0.00 -1.01 0.00 0.00 64.21 64.46 3hta n SER 78 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hta s ASP 79 N -2.00 6.88 0.34 6.43 3.68 -0.97 -4.92 116.67 126.11 3hta s ASP 79 Ca 0.01 1.85 0.03 0.00 2.13 0.00 0.00 52.55 56.58 3hta s ASP 79 Cb 0.06 -2.54 0.64 0.00 -1.45 0.00 0.00 42.92 39.63 3hta s ASP 79 CO 0.31 -0.79 1.96 -0.65 0.13 0.00 0.00 175.17 176.14 3hta h PRO 80 N 8.44 0.85 0.00 4.34 0.11 -1.94 -1.98 132.00 141.82 3hta h PRO 80 Ca -0.31 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hta h PRO 80 Cb 1.13 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3hta h PRO 80 CO 0.96 0.56 0.00 0.39 -0.21 0.00 0.00 178.00 179.70 3hta n GLU 81 N -4.46 0.13 -3.10 1.05 -0.58 -1.26 -4.81 120.64 107.60 3hta n GLU 81 Ca 0.10 0.25 -0.32 0.00 -0.42 0.00 0.00 57.16 56.78 3hta n GLU 81 Cb 0.16 -1.70 -0.05 0.00 -0.57 0.00 0.00 31.44 29.28 3hta n GLU 81 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hta s ALA 82 N -3.13 3.37 0.06 0.62 0.00 -0.75 -5.03 121.76 116.91 3hta s ALA 82 Ca 0.08 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 51.64 3hta s ALA 82 Cb 0.12 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 3hta s ALA 82 CO 0.44 0.25 1.34 0.34 0.00 0.00 0.00 175.76 178.14 3hta s ASP 83 N -2.58 6.90 -0.03 0.00 3.68 -1.26 -4.95 116.67 118.43 3hta s ASP 83 Ca 0.52 2.16 -0.20 0.00 2.13 0.00 0.00 52.55 57.16 3hta s ASP 83 Cb -0.10 -2.58 -0.14 0.00 -1.45 0.00 0.00 42.92 38.65 3hta s ASP 83 CO 0.22 -0.63 0.88 0.25 0.13 0.00 0.00 175.17 176.03 3hta h LEU 84 N 7.36 -0.31 -1.04 -1.34 6.46 -1.93 -2.89 115.31 121.61 3hta h LEU 84 Ca -0.40 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.12 3hta h LEU 84 Cb 1.20 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.18 3hta h LEU 84 CO 0.86 0.17 0.30 0.77 -0.62 0.00 0.00 178.44 179.92 3hta h SER 85 N -0.93 0.89 -0.36 1.25 4.64 -1.92 -0.00 113.55 117.11 3hta h SER 85 Ca -0.04 -0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.08 3hta h SER 85 Cb 0.50 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3hta h SER 85 CO 0.06 0.77 -0.12 1.23 -0.87 0.00 0.00 176.83 177.91 3hta h GLY 86 N 1.04 0.87 1.73 -0.77 0.00 -1.90 0.25 103.07 104.30 3hta h GLY 86 Ca 0.23 -0.67 -0.22 0.00 0.00 0.00 0.00 47.33 46.68 3hta h GLY 86 CO -0.03 0.61 -0.96 -2.09 0.00 0.00 0.00 176.54 174.07 3hta h GLU 87 N 0.72 0.23 -0.39 4.80 4.57 -1.28 -2.57 114.58 120.66 3hta h GLU 87 Ca 0.12 -0.28 -0.15 0.00 -1.18 0.00 0.00 59.36 57.87 3hta h GLU 87 Cb 0.61 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 3hta h GLU 87 CO 0.04 1.03 -0.36 1.25 -1.18 0.00 0.00 179.01 179.79 3hta h LEU 88 N 0.11 0.98 -1.06 1.64 5.85 -0.72 -1.15 115.31 120.96 3hta h LEU 88 Ca -0.06 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 3hta h LEU 88 Cb 1.62 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3hta h LEU 88 CO 0.15 1.23 -0.29 0.00 -0.34 0.00 0.00 178.44 179.19 3hta h ALA 89 N 0.82 1.03 0.08 1.25 0.00 -0.53 -2.73 119.26 119.18 3hta h ALA 89 Ca 0.07 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.45 3hta h ALA 89 Cb 0.95 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3hta h ALA 89 CO 0.09 0.36 -1.14 -0.09 0.00 0.00 0.00 179.25 178.48 3hta h ARG 90 N 0.00 0.39 -0.47 0.00 2.43 -1.16 -2.98 114.38 112.59 3hta h ARG 90 Ca -0.00 -0.53 -0.03 0.00 -0.81 0.00 0.00 59.98 58.61 3hta h ARG 90 Cb 0.80 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3hta h ARG 90 CO 0.04 1.21 0.18 0.28 -1.51 0.00 0.00 179.97 180.17 3hta h VAL 91 N 0.17 1.21 -0.91 0.20 2.07 -0.98 -2.27 116.25 115.73 3hta h VAL 91 Ca -0.13 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3hta h VAL 91 Cb 1.82 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 3hta h VAL 91 CO 0.20 0.24 0.60 -0.07 0.02 0.00 0.00 177.57 178.56 3hta h LEU 92 N 0.61 1.04 -0.08 2.57 3.38 -1.53 -1.70 115.31 119.60 3hta h LEU 92 Ca 0.15 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3hta h LEU 92 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3hta h LEU 92 CO -0.01 0.75 0.00 1.23 0.09 0.00 0.00 178.44 180.50 3hta h GLY 93 N 1.23 0.08 0.58 0.83 0.00 -1.33 0.78 103.07 105.24 3hta h GLY 93 Ca 0.33 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.69 3hta h GLY 93 CO -0.07 -0.01 -0.26 0.83 0.00 0.00 0.00 176.54 177.03 3hta h GLU 94 N 0.03 -0.46 0.15 4.80 5.08 -1.09 0.80 114.58 123.90 3hta h GLU 94 Ca 0.04 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3hta h GLU 94 Cb 0.04 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3hta h GLU 94 CO -0.06 -0.31 -0.39 2.35 -1.00 0.00 0.00 179.01 179.59 3hta h TRP 95 N -0.48 -1.10 0.00 4.33 7.01 -1.09 -1.58 115.95 123.04 3hta h TRP 95 Ca 0.02 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3hta h TRP 95 Cb 0.49 0.46 -0.00 0.00 -2.10 0.00 0.00 29.16 28.01 3hta h TRP 95 CO -0.22 -0.50 -0.02 -0.07 -2.79 0.00 0.00 178.44 174.83 3hta h LEU 96 N -0.65 0.00 0.00 0.65 3.38 -0.71 -2.31 115.31 115.66 3hta h LEU 96 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hta h LEU 96 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hta h LEU 96 CO -0.21 0.02 -0.24 0.61 0.09 0.00 0.00 178.44 178.71 3hta n GLY 97 N -1.11 -1.47 0.00 0.83 0.00 0.26 -4.81 105.19 98.90 3hta n GLY 97 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3hta n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hta n GLY 98 N 1.43 -2.31 3.48 -0.02 0.00 -0.87 -4.77 105.19 102.12 3hta n GLY 98 Ca 0.06 -1.45 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 3hta n GLY 98 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hta n ASP 99 N -2.48 1.44 -0.29 1.61 4.64 -1.26 -4.83 116.55 115.39 3hta n ASP 99 Ca 0.00 0.09 -0.07 0.00 -1.38 0.00 0.00 54.79 53.43 3hta n ASP 99 Cb 0.00 -1.21 -0.03 0.00 -1.04 0.00 0.00 41.12 38.84 3hta n ASP 99 CO 0.00 0.00 0.00 0.08 -0.82 0.00 0.00 177.20 176.46 3hta h ARG 100 N 14.04 -0.13 -0.18 -0.67 -0.00 -1.87 0.56 114.38 126.13 3hta h ARG 100 Ca -0.17 0.01 0.05 0.00 -0.00 0.00 0.00 59.98 59.87 3hta h ARG 100 Cb 1.31 0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 31.30 3hta h ARG 100 CO 1.19 -0.08 0.20 0.00 -0.00 0.00 0.00 179.97 181.28 3hta h THR 101 N -0.13 0.46 0.10 0.08 1.03 -1.98 -0.14 112.91 112.34 3hta h THR 101 Ca 0.21 0.00 -0.28 0.00 -0.01 0.00 0.00 66.41 66.33 3hta h THR 101 Cb 0.54 0.84 0.02 0.00 -1.07 0.00 0.00 68.15 68.48 3hta h THR 101 CO -0.81 0.00 -1.20 1.23 -0.01 0.00 0.00 175.52 174.73 3hta h GLY 102 N 0.00 0.58 0.83 2.99 0.00 -0.28 -2.35 103.07 104.84 3hta h GLY 102 Ca 0.09 -1.22 -0.08 0.00 0.00 0.00 0.00 47.33 46.12 3hta h GLY 102 CO -0.00 1.07 -0.16 -2.08 0.00 0.00 0.00 176.54 175.37 3hta h VAL 103 N 0.23 1.32 -0.79 4.60 2.07 -0.24 -2.15 116.25 121.29 3hta h VAL 103 Ca -0.16 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.18 3hta h VAL 103 Cb 1.87 1.69 -0.08 0.00 -1.52 0.00 0.00 31.29 33.25 3hta h VAL 103 CO 0.22 0.39 0.43 -0.33 0.02 0.00 0.00 177.57 178.30 3hta h GLU 104 N 0.18 0.68 -0.24 1.57 5.08 -1.12 -0.59 114.58 120.13 3hta h GLU 104 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3hta h GLU 104 Cb 0.69 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3hta h GLU 104 CO 0.04 0.45 0.03 1.25 -1.00 0.00 0.00 179.01 179.78 3hta h LEU 105 N 0.70 0.38 -0.41 1.33 6.46 -1.34 -0.91 115.31 121.53 3hta h LEU 105 Ca 0.39 -0.27 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 3hta h LEU 105 Cb 0.41 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.22 3hta h LEU 105 CO -0.27 0.56 0.26 -0.08 -0.62 0.00 0.00 178.44 178.29 3hta h GLU 106 N 0.19 0.52 -0.15 1.25 4.81 -0.79 -2.41 114.58 118.00 3hta h GLU 106 Ca 0.07 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3hta h GLU 106 Cb 0.35 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3hta h GLU 106 CO 0.01 0.35 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.35 3hta h TYR 107 N 0.54 0.35 -0.23 0.92 5.03 -1.06 -2.70 116.97 119.81 3hta h TYR 107 Ca 0.15 -0.09 -0.02 0.00 2.58 0.00 0.00 58.73 61.36 3hta h TYR 107 Cb -0.04 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.15 3hta h TYR 107 CO -0.05 0.63 0.07 1.49 -1.32 0.00 0.00 178.16 178.97 3hta h GLU 108 N 0.26 0.37 -0.60 1.82 4.81 -0.77 -0.87 114.58 119.60 3hta h GLU 108 Ca 0.03 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 3hta h GLU 108 Cb 0.76 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 3hta h GLU 108 CO 0.06 0.47 0.05 -0.07 -0.73 0.00 0.00 179.01 178.79 3hta h LEU 109 N 0.21 0.97 -0.65 1.64 3.38 -1.43 -1.13 115.31 118.31 3hta h LEU 109 Ca 0.07 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.83 3hta h LEU 109 Cb 0.26 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3hta h LEU 109 CO -0.00 1.00 0.40 0.22 0.09 0.00 0.00 178.44 180.15 3hta h TYR 110 N 0.94 0.75 0.00 1.13 3.20 -1.28 -2.02 116.97 119.69 3hta h TYR 110 Ca 0.18 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3hta h TYR 110 Cb 0.47 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3hta h TYR 110 CO 0.03 0.43 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.90 3hta h LEU 111 N 0.78 0.00 -0.74 2.82 3.38 -0.85 -3.14 115.31 117.56 3hta h LEU 111 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3hta h LEU 111 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hta h LEU 111 CO -0.10 0.01 0.02 0.00 0.09 0.00 0.00 178.44 178.45 3hta n ALA 112 N -2.10 1.00 0.89 1.53 0.00 -0.45 -0.46 120.51 120.92 3hta n ALA 112 Ca 0.03 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.70 3hta n ALA 112 Cb 0.49 -1.14 0.55 0.00 0.00 0.00 0.00 19.45 19.35 3hta n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hta n ALA 113 N -1.63 2.18 -0.15 0.00 0.00 -1.19 -2.92 120.51 116.80 3hta n ALA 113 Ca -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.31 3hta n ALA 113 Cb 0.03 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.12 3hta n ALA 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3hta h LEU 114 N 0.00 0.18 -2.46 0.00 6.46 -1.02 -3.13 115.31 115.33 3hta h LEU 114 Ca 0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3hta h LEU 114 Cb 0.44 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.41 3hta h LEU 114 CO 0.00 0.13 0.00 0.54 -0.62 0.00 0.00 178.44 178.49 3hta n ARG 115 N -5.00 2.07 -3.89 1.25 5.12 -1.24 -4.88 116.66 110.09 3hta n ARG 115 Ca 0.04 -1.54 -0.30 0.00 -1.93 0.00 0.00 57.85 54.12 3hta n ARG 115 Cb 0.18 -1.14 -0.14 0.00 -1.16 0.00 0.00 32.46 30.20 3hta n ARG 115 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3hta s ARG 116 N -0.86 1.43 0.50 5.56 0.52 -1.15 -5.00 118.95 119.96 3hta s ARG 116 Ca 0.11 -1.95 0.33 0.00 -0.52 0.00 0.00 55.73 53.70 3hta s ARG 116 Cb 0.06 -2.84 1.46 0.00 0.52 0.00 0.00 34.95 34.15 3hta s ARG 116 CO 0.08 -1.04 1.76 -1.35 0.02 0.00 0.00 175.30 174.78 3hta h PRO 117 N 7.23 0.09 0.00 3.54 0.11 -1.90 -0.42 132.00 140.65 3hta h PRO 117 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3hta h PRO 117 Cb 0.97 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3hta h PRO 117 CO 0.55 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.40 3hta n ALA 118 N -2.70 1.99 0.40 -0.75 0.00 -1.26 -3.20 120.51 115.00 3hta n ALA 118 Ca 0.28 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.79 3hta n ALA 118 Cb 1.25 -1.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 3hta n ALA 118 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hta n LEU 119 N -1.78 0.49 -0.09 0.00 4.77 -0.17 -4.52 117.00 115.70 3hta n LEU 119 Ca 0.05 -0.08 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 3hta n LEU 119 Cb 0.28 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.34 3hta n LEU 119 CO 0.22 0.05 0.89 0.03 -1.33 0.00 0.00 177.39 177.25 3hta h ARG 120 N 0.00 0.16 -0.50 3.23 3.08 -1.62 -1.23 114.38 117.51 3hta h ARG 120 Ca 0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.12 3hta h ARG 120 Cb 0.81 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.75 3hta h ARG 120 CO 0.00 0.11 0.12 -1.35 -1.07 0.00 0.00 179.97 177.78 3hta h PRO 121 N 0.17 0.26 -0.54 0.04 0.11 -1.79 -0.15 132.00 130.09 3hta h PRO 121 Ca 0.15 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 3hta h PRO 121 Cb 0.18 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 3hta h PRO 121 CO -0.21 0.17 0.19 0.28 -0.21 0.00 0.00 178.00 178.22 3hta h VAL 122 N 0.27 1.21 -0.03 3.15 2.07 -1.72 -1.70 116.25 119.48 3hta h VAL 122 Ca 0.25 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 3hta h VAL 122 Cb 0.32 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3hta h VAL 122 CO -0.30 0.26 -0.40 0.00 0.02 0.00 0.00 177.57 177.15 3hta h ALA 123 N 1.43 1.28 -0.05 1.67 0.00 -0.36 -2.11 119.26 121.12 3hta h ALA 123 Ca 0.18 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3hta h ALA 123 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hta h ALA 123 CO -0.01 0.53 -0.49 0.00 0.00 0.00 0.00 179.25 179.27 3hta h ALA 124 N 1.54 1.08 -0.96 0.00 0.00 -0.16 -3.12 119.26 117.64 3hta h ALA 124 Ca 0.00 -0.46 0.17 0.00 0.00 0.00 0.00 54.91 54.62 3hta h ALA 124 Cb 0.74 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 3hta h ALA 124 CO 0.05 0.64 0.57 0.93 0.00 0.00 0.00 179.25 181.44 3hta h GLU 125 N 0.11 0.75 -0.39 0.00 5.08 -0.85 0.47 114.58 119.75 3hta h GLU 125 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hta h GLU 125 Cb 0.91 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3hta h GLU 125 CO 0.07 0.49 0.22 2.35 -1.00 0.00 0.00 179.01 181.15 3hta h TRP 126 N 0.77 0.53 -0.13 4.33 7.01 -1.63 -1.49 115.95 125.35 3hta h TRP 126 Ca 0.54 -0.01 -0.17 0.00 2.11 0.00 0.00 58.89 61.35 3hta h TRP 126 Cb 0.76 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.64 3hta h TRP 126 CO -0.03 0.41 -0.64 0.00 -2.79 0.00 0.00 178.44 175.39 3hta h ALA 127 N 1.08 0.64 -0.68 2.65 0.00 -1.00 -2.27 119.26 119.68 3hta h ALA 127 Ca 0.14 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3hta h ALA 127 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hta h ALA 127 CO -0.02 0.72 0.18 0.93 0.00 0.00 0.00 179.25 181.06 3hta h GLU 128 N 0.36 1.07 -0.04 0.00 4.39 -0.07 -0.94 114.58 119.36 3hta h GLU 128 Ca -0.01 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 3hta h GLU 128 Cb 1.20 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3hta h GLU 128 CO 0.12 0.95 0.00 0.78 -1.16 0.00 0.00 179.01 179.70 3hta h GLY 129 N 1.01 0.08 0.85 -3.84 0.00 -1.19 -1.78 103.07 98.19 3hta h GLY 129 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3hta h GLY 129 CO -0.00 0.05 0.05 -2.08 0.00 0.00 0.00 176.54 174.56 3hta h VAL 130 N -0.19 1.21 -0.99 4.60 2.07 -1.36 -2.54 116.25 119.05 3hta h VAL 130 Ca 0.01 -0.67 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3hta h VAL 130 Cb 0.29 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3hta h VAL 130 CO 0.00 0.21 0.63 1.23 0.02 0.00 0.00 177.57 179.66 3hta h GLY 131 N 0.14 1.51 0.77 2.17 0.00 -1.19 -0.68 103.07 105.80 3hta h GLY 131 Ca 0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 3hta h GLY 131 CO 0.00 0.28 0.01 0.00 0.00 0.00 0.00 176.54 176.84 3hta h ALA 132 N 1.49 0.10 -0.39 3.60 0.00 -1.21 0.18 119.26 123.03 3hta h ALA 132 Ca 0.44 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3hta h ALA 132 Cb 0.26 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3hta h ALA 132 CO -0.19 -0.25 -0.01 1.25 0.00 0.00 0.00 179.25 180.05 3hta h LEU 133 N -0.12 -0.18 -1.15 0.00 5.85 -0.97 -0.32 115.31 118.42 3hta h LEU 133 Ca 0.02 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hta h LEU 133 Cb 0.29 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3hta h LEU 133 CO 0.00 -0.05 0.00 -0.07 -0.34 0.00 0.00 178.44 177.98 3hta h LEU 134 N 0.09 0.00 -0.58 2.25 4.07 -1.01 -2.83 115.31 117.31 3hta h LEU 134 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 3hta h LEU 134 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 3hta h LEU 134 CO -0.33 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.03 3hta n ALA 135 N -2.05 1.64 1.09 1.53 0.00 0.60 -1.47 120.51 121.85 3hta n ALA 135 Ca 0.01 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3hta n ALA 135 Cb 0.33 -1.35 0.28 0.00 0.00 0.00 0.00 19.45 18.71 3hta n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hta n ALA 136 N -1.72 3.42 0.01 0.00 0.00 -1.07 -4.27 120.51 116.88 3hta n ALA 136 Ca 0.02 -0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.09 3hta n ALA 136 Cb 0.21 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3hta n ALA 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hta n ARG 137 N -1.19 0.61 -3.76 0.00 1.74 -0.62 -5.05 116.66 108.40 3hta n ARG 137 Ca 0.08 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 3hta n ARG 137 Cb 0.34 -1.00 -0.05 0.00 -1.02 0.00 0.00 32.46 30.73 3hta n ARG 137 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3hta s THR 138 N -2.05 0.04 0.90 0.55 -1.32 -0.54 -5.11 115.64 108.11 3hta s THR 138 Ca -0.01 -0.85 -0.11 0.00 -1.21 0.00 0.00 61.69 59.51 3hta s THR 138 Cb 0.01 -1.54 0.11 0.00 -1.51 0.00 0.00 72.50 69.57 3hta s THR 138 CO 0.08 -0.19 1.01 -0.90 -2.21 0.00 0.00 174.62 172.40 3hta n ASP 139 N -0.29 0.01 -0.25 8.08 5.68 -1.26 -4.22 116.55 124.29 3hta n ASP 139 Ca -0.11 0.45 0.05 0.00 -0.50 0.00 0.00 54.79 54.68 3hta n ASP 139 Cb 0.63 -1.43 0.29 0.00 -1.14 0.00 0.00 41.12 39.46 3hta n ASP 139 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3hta h PRO 140 N -1.58 0.89 -0.38 0.11 0.11 -1.93 -1.38 132.00 127.84 3hta h PRO 140 Ca -0.44 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3hta h PRO 140 Cb 1.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hta h PRO 140 CO 0.41 0.59 -0.09 1.15 -0.21 0.00 0.00 178.00 179.85 3hta h THR 141 N 0.92 1.27 -0.46 -1.15 2.02 -1.99 -0.76 112.91 112.76 3hta h THR 141 Ca 0.36 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 3hta h THR 141 Cb 0.22 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3hta h THR 141 CO -0.13 0.39 -0.01 0.74 0.37 0.00 0.00 175.52 176.88 3hta h THR 142 N 0.54 1.24 -0.22 3.16 2.02 -1.84 -1.88 112.91 115.93 3hta h THR 142 Ca 0.10 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.25 3hta h THR 142 Cb 0.60 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3hta h THR 142 CO 0.04 0.35 0.03 0.00 0.37 0.00 0.00 175.52 176.30 3hta h ALA 143 N 1.27 0.29 -0.91 6.16 0.00 -1.09 0.31 119.26 125.30 3hta h ALA 143 Ca 0.14 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hta h ALA 143 Cb 0.45 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3hta h ALA 143 CO 0.02 -0.02 0.59 -0.09 0.00 0.00 0.00 179.25 179.75 3hta h ARG 144 N 0.16 1.01 -0.06 0.00 2.43 -0.92 -1.23 114.38 115.77 3hta h ARG 144 Ca 0.07 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3hta h ARG 144 Cb 0.34 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hta h ARG 144 CO 0.01 0.67 -0.73 0.00 -1.51 0.00 0.00 179.97 178.40 3hta h ALA 145 N 1.51 0.62 -0.13 2.80 0.00 -0.98 -2.47 119.26 120.60 3hta h ALA 145 Ca 0.39 -0.62 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3hta h ALA 145 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hta h ALA 145 CO -0.15 0.78 -0.44 -0.07 0.00 0.00 0.00 179.25 179.37 3hta h LEU 146 N 0.24 0.34 -0.12 0.00 3.38 -0.25 -2.13 115.31 116.77 3hta h LEU 146 Ca -0.03 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3hta h LEU 146 Cb 1.31 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3hta h LEU 146 CO 0.12 0.74 -0.02 0.58 0.09 0.00 0.00 178.44 179.95 3hta h VAL 147 N 0.26 1.28 -0.44 1.22 2.07 -1.14 -0.86 116.25 118.65 3hta h VAL 147 Ca 0.02 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3hta h VAL 147 Cb 0.89 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3hta h VAL 147 CO 0.07 0.27 0.15 0.00 0.02 0.00 0.00 177.57 178.08 3hta h ALA 148 N 0.70 0.58 -0.22 1.67 0.00 -1.40 -2.42 119.26 118.17 3hta h ALA 148 Ca 0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3hta h ALA 148 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hta h ALA 148 CO 0.01 0.22 -0.58 0.28 0.00 0.00 0.00 179.25 179.17 3hta h VAL 149 N 0.57 1.29 0.00 0.00 2.07 -1.41 -0.73 116.25 118.03 3hta h VAL 149 Ca 0.14 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.84 3hta h VAL 149 Cb 0.25 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3hta h VAL 149 CO -0.01 0.57 -0.17 0.17 0.02 0.00 0.00 177.57 178.15 3hta h LEU 150 N 0.53 0.00 -0.13 2.57 8.10 -1.18 0.53 115.31 125.73 3hta h LEU 150 Ca -0.01 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.80 3hta h LEU 150 Cb 1.20 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.43 3hta h LEU 150 CO 0.13 0.17 -0.60 -0.78 -4.11 0.00 0.00 178.44 173.25 3hta h ASP 151 N 0.00 0.76 -0.14 0.17 3.58 -1.26 -2.74 116.42 116.79 3hta h ASP 151 Ca -0.00 -0.63 -0.09 0.00 0.42 0.00 0.00 57.03 56.73 3hta h ASP 151 Cb 0.51 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 3hta h ASP 151 CO 0.02 1.27 -0.20 1.23 -2.88 0.00 0.00 179.24 178.68 3hta h GLY 152 N 0.31 0.61 0.95 -0.78 0.00 -0.41 -2.33 103.07 101.42 3hta h GLY 152 Ca -0.04 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 3hta h GLY 152 CO 0.13 0.44 0.05 -2.22 0.00 0.00 0.00 176.54 174.93 3hta h ILE 153 N 0.50 1.25 0.26 2.60 2.04 -0.91 -0.56 117.51 122.70 3hta h ILE 153 Ca 0.08 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3hta h ILE 153 Cb 0.63 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3hta h ILE 153 CO 0.04 0.32 -0.13 0.00 0.00 0.00 0.00 178.15 178.39 3hta h LEU 155 N -0.44 0.56 -0.40 0.00 5.85 -1.35 -0.77 115.31 118.76 3hta h LEU 155 Ca -0.04 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3hta h LEU 155 Cb 0.33 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3hta h LEU 155 CO 0.06 0.25 0.05 -0.61 -0.34 0.00 0.00 178.44 177.85 3hta h GLN 156 N 0.65 0.16 -0.06 1.25 4.15 -0.70 0.90 115.11 121.47 3hta h GLN 156 Ca 0.45 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.86 3hta h GLN 156 Cb 0.60 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 3hta h GLN 156 CO -0.34 0.11 0.02 0.28 -1.93 0.00 0.00 178.83 176.97 3hta h VAL 157 N 0.17 1.16 0.00 2.39 2.07 -0.62 -2.17 116.25 119.24 3hta h VAL 157 Ca 0.20 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3hta h VAL 157 Cb 0.25 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3hta h VAL 157 CO -0.28 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.62 3hta n LEU 158 N -4.94 0.42 -0.12 2.57 4.32 -0.65 -2.09 117.00 116.50 3hta n LEU 158 Ca -0.06 0.58 -0.16 0.00 -0.02 0.00 0.00 56.01 56.34 3hta n LEU 158 Cb 0.12 -0.50 -0.13 0.00 -1.62 0.00 0.00 43.42 41.29 3hta n LEU 158 CO 0.34 -0.34 -1.31 -0.11 -1.22 0.00 0.00 177.39 174.75 3hta n LEU 159 N -1.94 2.40 -0.99 2.23 7.94 0.28 -4.46 117.00 122.46 3hta n LEU 159 Ca 0.04 -0.11 0.12 0.00 -1.11 0.00 0.00 56.01 54.95 3hta n LEU 159 Cb 0.26 -0.64 0.12 0.00 0.53 0.00 0.00 43.42 43.69 3hta n LEU 159 CO 0.20 0.85 0.65 0.35 -1.11 0.00 0.00 177.39 178.33 3hta n THR 160 N -3.16 0.09 -2.56 1.96 -2.24 -0.83 -4.95 114.28 102.58 3hta n THR 160 Ca -0.43 -0.54 -0.21 0.00 -2.27 0.00 0.00 64.05 60.60 3hta n THR 160 Cb 1.02 1.40 0.00 0.00 -2.10 0.00 0.00 70.33 70.65 3hta n THR 160 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hta n ASP 161 N 1.37 -5.81 -4.71 3.42 4.64 -0.89 -4.96 116.55 109.62 3hta n ASP 161 Ca 0.15 -0.07 -0.37 0.00 -1.38 0.00 0.00 54.79 53.12 3hta n ASP 161 Cb 0.60 -4.81 -0.08 0.00 -1.04 0.00 0.00 41.12 35.80 3hta n ASP 161 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3hta s THR 162 N -3.05 5.30 0.50 5.18 2.01 -1.18 -5.05 115.64 119.36 3hta s THR 162 Ca 0.08 0.49 -0.23 0.00 0.31 0.00 0.00 61.69 62.34 3hta s THR 162 Cb -0.04 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.79 3hta s THR 162 CO 0.10 0.36 1.30 -0.81 -0.69 0.00 0.00 174.62 174.87 3hta n PRO 163 N 3.86 1.74 -1.82 4.92 -0.04 -1.26 -4.55 135.00 137.85 3hta n PRO 163 Ca -0.12 0.63 -0.41 0.00 -0.04 0.00 0.00 63.50 63.56 3hta n PRO 163 Cb 0.52 -2.48 -0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3hta n PRO 163 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hta s TYR 164 N -1.27 2.60 -0.52 0.54 5.04 -1.26 -4.98 117.35 117.50 3hta s TYR 164 Ca 0.68 1.19 0.03 0.00 -2.44 0.00 0.00 57.07 56.53 3hta s TYR 164 Cb -0.45 -4.00 0.14 0.00 0.35 0.00 0.00 41.96 38.00 3hta s TYR 164 CO 0.53 -2.92 0.29 0.34 -1.34 0.00 0.00 175.55 172.44 3hta s ASP 165 N -0.19 4.06 0.19 4.32 -1.08 -1.26 -5.01 116.67 117.70 3hta s ASP 165 Ca 0.53 -3.01 -0.17 0.00 -0.52 0.00 0.00 52.55 49.38 3hta s ASP 165 Cb -0.46 -1.39 0.16 0.00 -1.46 0.00 0.00 42.92 39.77 3hta s ASP 165 CO 0.62 -0.22 1.63 -0.08 0.52 0.00 0.00 175.17 177.64 3hta h GLU 166 N 6.37 -0.07 -0.95 4.34 4.81 -1.93 0.66 114.58 127.81 3hta h GLU 166 Ca -0.01 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3hta h GLU 166 Cb 0.88 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.20 3hta h GLU 166 CO 0.61 -0.05 0.59 1.05 -0.73 0.00 0.00 179.01 180.49 3hta h GLU 167 N -0.07 0.95 -0.17 1.92 9.09 -1.95 0.27 114.58 124.62 3hta h GLU 167 Ca 0.24 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.57 3hta h GLU 167 Cb 0.45 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 3hta h GLU 167 CO -0.57 0.63 -0.02 -0.92 0.05 0.00 0.00 179.01 178.18 3hta h TYR 168 N 0.98 0.34 -0.96 2.06 3.20 -1.66 -1.89 116.97 119.04 3hta h TYR 168 Ca 0.45 -0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.36 3hta h TYR 168 Cb 0.38 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 3hta h TYR 168 CO -0.02 0.55 0.61 0.00 -1.64 0.00 0.00 178.16 177.67 3hta h ALA 169 N 0.74 1.55 -0.18 1.82 0.00 0.39 -1.29 119.26 122.29 3hta h ALA 169 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hta h ALA 169 Cb 0.43 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hta h ALA 169 CO 0.01 0.24 -0.10 -0.09 0.00 0.00 0.00 179.25 179.31 3hta h ARG 170 N 0.98 0.39 -0.74 0.00 2.43 -0.26 -1.28 114.38 115.91 3hta h ARG 170 Ca 0.45 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3hta h ARG 170 Cb 0.40 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3hta h ARG 170 CO -0.21 0.70 0.42 1.49 -1.51 0.00 0.00 179.97 180.86 3hta h GLU 171 N 0.06 1.01 -0.30 0.20 4.57 -0.88 -0.28 114.58 118.97 3hta h GLU 171 Ca 0.04 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3hta h GLU 171 Cb 0.60 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3hta h GLU 171 CO 0.03 0.73 0.13 0.28 -1.18 0.00 0.00 179.01 179.01 3hta h VAL 172 N 1.01 1.16 -0.18 0.32 2.07 -1.21 -2.51 116.25 116.92 3hta h VAL 172 Ca 0.26 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 3hta h VAL 172 Cb -0.00 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3hta h VAL 172 CO -0.05 0.17 -0.26 -0.07 0.02 0.00 0.00 177.57 177.38 3hta h LEU 173 N 0.34 0.33 -0.67 2.57 3.38 -0.91 -2.91 115.31 117.44 3hta h LEU 173 Ca 0.10 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3hta h LEU 173 Cb 0.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hta h LEU 173 CO -0.01 0.59 -0.06 0.74 0.09 0.00 0.00 178.44 179.79 3hta h THR 174 N 0.29 1.26 0.00 0.22 2.02 -0.90 -2.61 112.91 113.20 3hta h THR 174 Ca 0.04 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.04 3hta h THR 174 Cb 0.62 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3hta h THR 174 CO 0.04 0.42 0.06 0.03 0.37 0.00 0.00 175.52 176.45 3hta h ARG 175 N 0.88 0.00 -0.00 6.66 3.08 -1.24 -1.66 114.38 122.10 3hta h ARG 175 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3hta h ARG 175 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3hta h ARG 175 CO 0.04 0.00 -0.74 1.28 -1.07 0.00 0.00 179.97 179.48 3hta n LEU 176 N -2.32 1.01 -4.62 3.04 4.77 -0.98 -4.91 117.00 112.98 3hta n LEU 176 Ca -0.02 -0.39 -0.39 0.00 -0.03 0.00 0.00 56.01 55.19 3hta n LEU 176 Cb 0.10 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.03 3hta n LEU 176 CO 0.10 0.23 0.06 -0.63 -1.33 0.00 0.00 177.39 175.82 3hta s ILE 177 N -2.89 5.19 0.30 -0.08 1.01 -0.63 -4.89 121.20 119.22 3hta s ILE 177 Ca 0.11 0.57 -0.29 0.00 0.00 0.00 0.00 60.65 61.05 3hta s ILE 177 Cb 0.17 -3.69 -0.13 0.00 0.01 0.00 0.00 42.46 38.82 3hta s ILE 177 CO 0.76 0.19 1.31 -2.65 0.00 0.00 0.00 174.94 174.55 3hta n PRO 178 N 5.06 2.04 -2.58 2.79 -0.02 -1.26 -4.95 135.00 136.09 3hta n PRO 178 Ca -0.09 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.73 3hta n PRO 178 Cb 0.51 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 3hta n PRO 178 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hta s VAL 179 N -0.75 3.76 0.48 -1.45 0.11 -1.26 -5.01 120.40 116.28 3hta s VAL 179 Ca 0.60 1.50 -0.20 0.00 -2.93 0.00 0.00 61.98 60.95 3hta s VAL 179 Cb -0.60 -3.85 -0.09 0.00 -1.53 0.00 0.00 36.38 30.31 3hta s VAL 179 CO 0.58 0.15 1.01 -2.16 -3.33 0.00 0.00 175.10 171.36 3hta s PRO 180 N -2.06 3.87 0.35 1.54 0.04 -1.26 -5.07 135.00 132.41 3hta s PRO 180 Ca 0.52 1.26 0.07 0.00 0.04 0.00 0.00 61.00 62.89 3hta s PRO 180 Cb -0.24 -2.11 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 3hta s PRO 180 CO 0.31 -0.35 0.35 0.00 0.04 0.00 0.00 177.00 177.35 3hta s ALA 181 N -2.12 3.98 0.18 8.56 0.00 -1.26 -4.98 121.76 126.13 3hta s ALA 181 Ca 0.65 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.71 3hta s ALA 181 Cb -0.14 -1.28 0.06 0.00 0.00 0.00 0.00 23.12 21.76 3hta s ALA 181 CO 0.20 -0.04 1.55 1.15 0.00 0.00 0.00 175.76 178.62 3hta h THR 182 N 1.12 0.03 0.00 0.00 2.02 -2.08 0.41 112.91 114.41 3hta h THR 182 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3hta h THR 182 Cb 1.26 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3hta h THR 182 CO 0.56 0.00 0.00 -2.11 0.37 0.00 0.00 175.52 174.34 3hta n ARG 183 N -5.38 0.00 0.00 6.66 1.85 -1.26 -5.35 116.66 113.19 3hta n ARG 183 Ca 0.04 0.42 0.14 0.00 -1.00 0.00 0.00 57.85 57.45 3hta n ARG 183 Cb 0.34 -1.50 0.53 0.00 -1.05 0.00 0.00 32.46 30.78 3hta n ARG 183 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37