#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hiu h SER 6 N 0.00 0.00 0.72 1.69 4.64 -1.97 -0.92 113.55 117.71 3hiu h SER 6 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 3hiu h SER 6 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3hiu h SER 6 CO 0.00 0.00 -1.11 -0.09 -0.87 0.00 0.00 176.83 174.76 3hiu h ARG 7 N 0.00 0.19 0.34 4.77 2.43 -1.94 -2.83 114.38 117.33 3hiu h ARG 7 Ca 0.00 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 3hiu h ARG 7 Cb 0.22 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3hiu h ARG 7 CO 0.00 1.12 -0.16 1.49 -1.51 0.00 0.00 179.97 180.91 3hiu h GLU 8 N 0.06 -0.44 0.04 0.20 4.81 -1.61 -2.25 114.58 115.40 3hiu h GLU 8 Ca -0.08 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hiu h GLU 8 Cb 1.84 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 31.27 3hiu h GLU 8 CO 0.17 -0.13 -0.32 -0.09 -0.73 0.00 0.00 179.01 177.91 3hiu h ARG 9 N -0.76 -0.48 -0.97 1.92 9.65 -1.54 -2.50 114.38 119.69 3hiu h ARG 9 Ca -0.05 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.00 3hiu h ARG 9 Cb 0.51 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 29.11 3hiu h ARG 9 CO 0.08 -0.32 0.59 1.25 2.80 0.00 0.00 179.97 184.37 3hiu h LEU 10 N -0.50 0.83 -0.48 3.80 5.85 -1.56 -1.97 115.31 121.28 3hiu h LEU 10 Ca 0.05 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3hiu h LEU 10 Cb 0.57 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3hiu h LEU 10 CO -0.24 0.41 0.04 0.58 -0.34 0.00 0.00 178.44 178.89 3hiu h VAL 11 N 0.89 1.26 0.54 1.05 2.07 -1.02 -2.02 116.25 119.01 3hiu h VAL 11 Ca 0.50 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3hiu h VAL 11 Cb 0.59 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3hiu h VAL 11 CO -0.30 0.35 -0.33 0.50 0.02 0.00 0.00 177.57 177.81 3hiu h LYS 12 N 0.69 -0.79 -0.94 1.57 3.11 -0.95 -0.40 116.57 118.86 3hiu h LYS 12 Ca 0.14 0.05 0.14 0.00 -2.81 0.00 0.00 60.65 58.18 3hiu h LYS 12 Cb 0.45 0.18 -0.08 0.00 -1.00 0.00 0.00 32.23 31.78 3hiu h LYS 12 CO 0.02 -0.53 0.60 -1.49 -2.81 0.00 0.00 179.45 175.24 3hiu h TRP 13 N -0.82 0.94 -0.28 1.91 6.55 -1.41 0.18 115.95 123.02 3hiu h TRP 13 Ca -0.06 0.03 0.03 0.00 0.95 0.00 0.00 58.89 59.84 3hiu h TRP 13 Cb 0.67 -0.30 -0.03 0.00 -0.86 0.00 0.00 29.16 28.64 3hiu h TRP 13 CO -0.09 0.34 0.08 -0.07 -1.05 0.00 0.00 178.44 177.65 3hiu h LEU 14 N 0.79 0.07 -0.61 -4.49 3.38 -0.91 0.32 115.31 113.87 3hiu h LEU 14 Ca 0.47 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.55 3hiu h LEU 14 Cb 0.66 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3hiu h LEU 14 CO -0.24 0.08 0.28 1.56 0.09 0.00 0.00 178.44 180.21 3hiu h GLN 15 N 0.20 0.49 -0.55 1.13 4.20 0.95 0.32 115.11 121.86 3hiu h GLN 15 Ca 0.12 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.83 3hiu h GLN 15 Cb 0.11 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 3hiu h GLN 15 CO -0.14 0.33 0.32 -0.44 -0.67 0.00 0.00 178.83 178.23 3hiu h ASP 16 N 0.51 0.51 0.20 1.46 3.32 -0.29 -1.75 116.42 120.39 3hiu h ASP 16 Ca 0.29 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 3hiu h ASP 16 Cb 0.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hiu h ASP 16 CO -0.24 0.36 -0.15 0.00 -1.72 0.00 0.00 179.24 177.48 3hiu h ALA 17 N 1.25 -0.34 -0.50 3.45 0.00 0.92 -2.18 119.26 121.87 3hiu h ALA 17 Ca 0.22 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3hiu h ALA 17 Cb 0.05 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hiu h ALA 17 CO -0.11 -0.70 0.33 -0.92 0.00 0.00 0.00 179.25 177.85 3hiu h TYR 18 N -0.36 0.38 0.00 0.00 3.20 -0.23 0.17 116.97 120.14 3hiu h TYR 18 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hiu h TYR 18 Cb 0.32 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3hiu h TYR 18 CO -0.11 0.20 0.00 0.00 -1.64 0.00 0.00 178.16 176.61 3hiu n ALA 19 N -2.52 1.68 0.00 1.82 0.00 -0.67 -2.68 120.51 118.14 3hiu n ALA 19 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3hiu n ALA 19 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3hiu n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hiu n GLU 21 N 0.35 0.00 0.23 0.00 -0.58 0.59 -1.77 120.64 119.46 3hiu n GLU 21 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3hiu n GLU 21 Cb 0.12 0.00 0.39 0.00 -0.57 0.00 0.00 31.44 31.38 3hiu n GLU 21 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3hiu h LYS 22 N 0.00 0.00 -0.12 3.49 1.79 -1.77 -2.59 116.57 117.37 3hiu h LYS 22 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 3hiu h LYS 22 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3hiu h LYS 22 CO 0.00 0.11 -0.33 1.49 -1.08 0.00 0.00 179.45 179.63 3hiu h GLU 23 N 0.00 0.45 -0.04 3.15 4.81 -1.64 -3.22 114.58 118.08 3hiu h GLU 23 Ca -0.00 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 58.80 3hiu h GLU 23 Cb 0.82 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 3hiu h GLU 23 CO 0.01 0.93 -0.50 0.00 -0.73 0.00 0.00 179.01 178.72 3hiu h ALA 24 N 0.52 1.09 0.48 2.92 0.00 -1.81 -3.24 119.26 119.22 3hiu h ALA 24 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3hiu h ALA 24 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hiu h ALA 24 CO 0.07 0.64 -0.23 1.49 0.00 0.00 0.00 179.25 181.22 3hiu h GLU 25 N 0.08 -0.62 -5.23 0.00 4.81 -1.54 -3.40 114.58 108.69 3hiu h GLU 25 Ca 0.00 0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.03 3hiu h GLU 25 Cb 0.91 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3hiu h GLU 25 CO 0.07 -0.32 0.76 0.25 -0.73 0.00 0.00 179.01 179.04 3hiu n THR 26 N -5.28 1.08 0.00 0.32 -2.24 -1.22 -4.61 114.28 102.33 3hiu n THR 26 Ca -0.11 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.57 3hiu n THR 26 Cb 0.30 -2.11 0.00 0.00 -2.10 0.00 0.00 70.33 66.43 3hiu n THR 26 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hiu n ALA 29 N 15.83 0.00 0.00 6.98 0.00 -1.26 -4.97 120.51 137.09 3hiu n ALA 29 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3hiu n ALA 29 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3hiu n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hiu n ALA 30 N 0.00 0.86 0.00 0.00 0.00 -1.26 -1.60 120.51 118.51 3hiu n ALA 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hiu n ALA 30 Cb 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3hiu n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hiu n ALA 32 N 0.62 0.00 0.26 0.00 0.00 -1.26 -2.41 120.51 117.72 3hiu n ALA 32 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3hiu n ALA 32 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 3hiu n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hiu n SER 33 N 0.00 0.44 -0.09 0.00 3.41 -0.63 -2.73 113.62 114.01 3hiu n SER 33 Ca 0.00 0.65 0.03 0.00 -0.26 0.00 0.00 58.87 59.30 3hiu n SER 33 Cb 0.00 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.20 3hiu n SER 33 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hiu n ARG 34 N -2.03 3.35 -2.33 4.33 1.74 -1.01 -5.00 116.66 115.71 3hiu n ARG 34 Ca 0.01 -0.28 -0.43 0.00 -0.77 0.00 0.00 57.85 56.37 3hiu n ARG 34 Cb 0.11 -0.92 -0.02 0.00 -1.02 0.00 0.00 32.46 30.61 3hiu n ARG 34 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hiu s ILE 35 N -1.36 4.02 0.00 0.55 -1.09 -1.11 -4.92 121.20 117.29 3hiu s ILE 35 Ca 0.05 1.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 3hiu s ILE 35 Cb 0.06 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 3hiu s ILE 35 CO 0.23 -0.37 0.00 -0.62 -1.23 0.00 0.00 174.94 172.96 3hiu n GLU 36 N 7.30 0.00 -0.52 2.79 1.02 -1.26 -4.63 120.64 125.34 3hiu n GLU 36 Ca 0.16 0.11 0.03 0.00 -0.02 0.00 0.00 57.16 57.45 3hiu n GLU 36 Cb 0.46 -0.51 0.23 0.00 -0.02 0.00 0.00 31.44 31.60 3hiu n GLU 36 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hiu n HIS 37 N -1.26 1.21 -3.48 -0.32 8.25 -1.26 -4.65 115.22 113.72 3hiu n HIS 37 Ca 0.00 -0.44 -0.29 0.00 -0.26 0.00 0.00 57.72 56.74 3hiu n HIS 37 Cb 0.00 -0.35 -0.12 0.00 1.12 0.00 0.00 29.99 30.65 3hiu n HIS 37 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3hiu s TYR 38 N -2.01 0.95 0.21 4.41 2.02 -1.26 -4.98 117.35 116.69 3hiu s TYR 38 Ca 0.31 -1.86 0.06 0.00 -0.37 0.00 0.00 57.07 55.21 3hiu s TYR 38 Cb 0.24 -1.03 0.13 0.00 -0.40 0.00 0.00 41.96 40.90 3hiu s TYR 38 CO 0.09 -0.82 1.48 -1.35 -1.57 0.00 0.00 175.55 173.37 3hiu h PRO 39 N 6.69 0.12 0.12 -1.71 0.11 -1.91 -0.97 132.00 134.45 3hiu h PRO 39 Ca 0.10 -0.11 -0.30 0.00 0.11 0.00 0.00 66.00 65.80 3hiu h PRO 39 Cb 0.95 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3hiu h PRO 39 CO 0.31 0.82 -1.46 1.49 -0.21 0.00 0.00 178.00 178.95 3hiu h GLU 40 N 0.08 0.25 0.00 1.05 4.57 -1.98 0.15 114.58 118.70 3hiu h GLU 40 Ca -0.02 -0.43 -0.07 0.00 -1.18 0.00 0.00 59.36 57.66 3hiu h GLU 40 Cb 1.33 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 30.07 3hiu h GLU 40 CO 0.11 1.13 -0.35 1.25 -1.18 0.00 0.00 179.01 179.97 3hiu h LEU 41 N 0.07 0.00 0.11 1.64 5.85 -1.97 -1.30 115.31 119.71 3hiu h LEU 41 Ca -0.22 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.23 3hiu h LEU 41 Cb 2.00 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.04 3hiu h LEU 41 CO 0.17 0.35 -1.24 0.50 -0.34 0.00 0.00 178.44 177.88 3hiu h LYS 42 N 0.00 0.31 -0.38 1.25 3.64 -1.01 -2.95 116.57 117.42 3hiu h LYS 42 Ca -0.00 -0.51 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 3hiu h LYS 42 Cb 0.61 0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 3hiu h LYS 42 CO 0.04 1.23 -0.19 -0.09 -2.27 0.00 0.00 179.45 178.18 3hiu h ARG 43 N 0.10 0.81 -0.47 1.90 2.43 -0.58 -2.45 114.38 116.11 3hiu h ARG 43 Ca -0.14 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 3hiu h ARG 43 Cb 1.96 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 31.46 3hiu h ARG 43 CO 0.21 0.98 0.14 -0.09 -1.51 0.00 0.00 179.97 179.71 3hiu h ARG 44 N 0.61 0.70 0.12 0.20 9.65 -1.30 -1.65 114.38 122.71 3hiu h ARG 44 Ca 0.08 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3hiu h ARG 44 Cb 0.75 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 3hiu h ARG 44 CO 0.06 0.61 -0.06 0.82 2.80 0.00 0.00 179.97 184.20 3hiu h ILE 45 N 0.68 0.50 -1.02 1.20 2.04 -1.51 -0.20 117.51 119.21 3hiu h ILE 45 Ca 0.16 -1.16 0.25 0.00 1.00 0.00 0.00 64.86 65.11 3hiu h ILE 45 Cb 0.21 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 3hiu h ILE 45 CO -0.01 0.15 0.66 -0.33 0.00 0.00 0.00 178.15 178.62 3hiu h GLU 46 N -0.99 0.39 0.40 2.37 5.08 -1.46 0.96 114.58 121.33 3hiu h GLU 46 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3hiu h GLU 46 Cb 0.37 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3hiu h GLU 46 CO 0.03 0.26 -0.19 0.37 -1.00 0.00 0.00 179.01 178.47 3hiu h GLN 47 N 0.40 -0.52 -0.97 2.33 4.15 -1.34 -2.55 115.11 116.62 3hiu h GLN 47 Ca 0.57 0.04 0.08 0.00 0.77 0.00 0.00 58.65 60.10 3hiu h GLN 47 Cb 1.44 0.12 -0.07 0.00 0.21 0.00 0.00 27.48 29.18 3hiu h GLN 47 CO -0.27 -0.30 0.63 1.25 -1.93 0.00 0.00 178.83 178.21 3hiu h HIS 48 N -0.62 1.13 0.04 3.99 2.76 0.26 0.49 115.15 123.18 3hiu h HIS 48 Ca -0.06 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3hiu h HIS 48 Cb 0.46 -0.37 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 3hiu h HIS 48 CO -0.03 0.55 -0.46 0.28 -1.30 0.00 0.00 177.93 176.97 3hiu h VAL 49 N 1.07 0.09 -0.43 5.26 2.07 -0.01 1.42 116.25 125.74 3hiu h VAL 49 Ca 0.43 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.04 3hiu h VAL 49 Cb 0.27 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.04 3hiu h VAL 49 CO -0.19 0.00 -0.18 -0.08 0.02 0.00 0.00 177.57 177.14 3hiu h GLU 50 N -0.64 -0.09 -0.85 1.57 4.81 -0.32 0.37 114.58 119.44 3hiu h GLU 50 Ca 0.03 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 3hiu h GLU 50 Cb 0.69 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3hiu h GLU 50 CO -0.31 -0.06 0.55 0.93 -0.73 0.00 0.00 179.01 179.39 3hiu h GLU 51 N -0.10 0.92 0.00 1.92 5.08 0.35 -1.84 114.58 120.92 3hiu h GLU 51 Ca 0.21 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hiu h GLU 51 Cb 0.42 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hiu h GLU 51 CO -0.49 0.61 0.00 2.41 -1.00 0.00 0.00 179.01 180.54 3hiu n THR 52 N -4.48 0.14 0.03 1.13 -1.04 0.48 -3.01 114.28 107.52 3hiu n THR 52 Ca 0.13 0.04 -0.20 0.00 -2.04 0.00 0.00 64.05 61.97 3hiu n THR 52 Cb 0.20 -0.59 -0.14 0.00 -1.82 0.00 0.00 70.33 67.98 3hiu n THR 52 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3hiu h GLN 53 N 0.00 0.28 -0.37 -2.82 4.20 -0.04 -3.26 115.11 113.10 3hiu h GLN 53 Ca 0.00 -0.47 -0.08 0.00 0.06 0.00 0.00 58.65 58.16 3hiu h GLN 53 Cb 0.31 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3hiu h GLN 53 CO 0.00 1.18 -0.11 1.96 -0.67 0.00 0.00 178.83 181.19 3hiu h GLN 54 N 0.08 0.63 -0.53 1.46 1.08 -1.55 -2.96 115.11 113.33 3hiu h GLN 54 Ca -0.38 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 56.68 3hiu h GLN 54 Cb 2.05 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 29.37 3hiu h GLN 54 CO 0.12 0.73 0.26 1.96 -0.95 0.00 0.00 178.83 180.95 3hiu h GLN 55 N 0.58 0.49 0.00 1.46 4.20 -1.66 -0.53 115.11 119.65 3hiu h GLN 55 Ca 0.10 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3hiu h GLN 55 Cb 0.53 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3hiu h GLN 55 CO 0.03 0.33 0.00 0.66 -0.67 0.00 0.00 178.83 179.18 3hiu h SER 56 N 0.51 0.00 1.01 1.46 4.64 -1.58 -1.51 113.55 118.08 3hiu h SER 56 Ca 0.23 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.37 3hiu h SER 56 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3hiu h SER 56 CO -0.17 0.00 -0.87 0.00 -0.87 0.00 0.00 176.83 174.92 3hiu h ALA 57 N 2.26 0.48 -0.04 5.18 0.00 -0.99 -1.08 119.26 125.07 3hiu h ALA 57 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 53.99 3hiu h ALA 57 Cb 0.56 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hiu h ALA 57 CO 0.00 1.09 -0.45 0.78 0.00 0.00 0.00 179.25 180.67 3hiu h GLY 58 N 2.90 0.42 2.00 0.00 0.00 -0.50 -2.24 103.07 105.65 3hiu h GLY 58 Ca -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 3hiu h GLY 58 CO 0.11 0.58 -0.14 -2.08 0.00 0.00 0.00 176.54 175.02 3hiu h VAL 59 N -0.14 0.70 0.00 4.60 2.07 -1.38 0.37 116.25 122.48 3hiu h VAL 59 Ca -0.05 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 3hiu h VAL 59 Cb 1.14 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3hiu h VAL 59 CO 0.09 0.13 -0.20 -0.61 0.02 0.00 0.00 177.57 177.01 3hiu h GLN 60 N 0.00 0.00 0.00 1.57 4.15 -1.06 -2.69 115.11 117.08 3hiu h GLN 60 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hiu h GLN 60 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 3hiu h GLN 60 CO 0.02 0.20 -1.49 0.54 -1.93 0.00 0.00 178.83 176.16 3hiu n ARG 61 N -3.28 0.59 0.01 1.69 1.74 -0.03 -3.02 116.66 114.37 3hiu n ARG 61 Ca 0.01 -0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 3hiu n ARG 61 Cb 0.46 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 3hiu n ARG 61 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hiu h LEU 63 N -0.64 0.72 -0.13 0.00 3.38 -1.62 -0.54 115.31 116.48 3hiu h LEU 63 Ca -0.01 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3hiu h LEU 63 Cb 0.55 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3hiu h LEU 63 CO 0.01 0.28 -0.50 -0.33 0.09 0.00 0.00 178.44 177.99 3hiu h GLU 64 N 0.74 -0.54 -0.92 1.13 5.08 -1.52 -0.69 114.58 117.87 3hiu h GLU 64 Ca 0.54 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 59.00 3hiu h GLU 64 Cb 0.79 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.10 3hiu h GLU 64 CO -0.37 -0.36 0.58 1.25 -1.00 0.00 0.00 179.01 179.12 3hiu h LEU 65 N -0.56 0.93 -1.19 1.33 5.85 -0.74 -2.44 115.31 118.49 3hiu h LEU 65 Ca 0.05 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hiu h LEU 65 Cb 0.67 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3hiu h LEU 65 CO -0.42 0.59 0.00 0.18 -0.34 0.00 0.00 178.44 178.45 3hiu n LEU 66 N -4.57 1.79 -1.87 2.25 4.77 -0.81 -4.92 117.00 113.65 3hiu n LEU 66 Ca 0.14 -0.74 -0.17 0.00 -0.03 0.00 0.00 56.01 55.21 3hiu n LEU 66 Cb 0.18 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3hiu n LEU 66 CO 0.32 0.37 -0.21 0.59 -1.33 0.00 0.00 177.39 177.12 3hiu n ASN 67 N 0.41 -4.97 -4.93 -1.43 3.02 -0.74 -5.00 115.26 101.61 3hiu n ASN 67 Ca 0.16 0.02 -0.25 0.00 -0.03 0.00 0.00 54.58 54.48 3hiu n ASN 67 Cb 0.35 -4.06 0.01 0.00 -0.61 0.00 0.00 39.78 35.47 3hiu n ASN 67 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3hiu s GLY 68 N -2.29 1.53 0.66 7.41 0.00 -0.34 -5.04 107.32 109.25 3hiu s GLY 68 Ca 0.00 -0.82 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 3hiu s GLY 68 CO 0.00 -0.63 0.92 -1.35 0.00 0.00 0.00 173.10 172.04 3hiu s SER 69 N -4.19 4.79 -0.13 1.64 1.04 -1.26 -4.50 113.70 111.09 3hiu s SER 69 Ca 0.48 -0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 3hiu s SER 69 Cb -0.10 -0.63 -0.04 0.00 0.10 0.00 0.00 66.02 65.34 3hiu s SER 69 CO 0.41 -1.54 0.12 -0.63 0.98 0.00 0.00 173.24 172.58 3hiu s ILE 70 N -3.04 5.33 0.42 -1.02 1.09 -1.26 -4.86 121.20 117.86 3hiu s ILE 70 Ca 0.61 0.14 -0.26 0.00 -1.10 0.00 0.00 60.65 60.05 3hiu s ILE 70 Cb -0.09 -3.33 -0.09 0.00 -1.06 0.00 0.00 42.46 37.90 3hiu s ILE 70 CO 0.42 0.59 1.37 -2.84 -0.10 0.00 0.00 174.94 174.39 3hiu s PRO 71 N -0.77 3.87 -0.31 2.79 0.02 -1.26 -4.97 135.00 134.36 3hiu s PRO 71 Ca 0.13 2.31 -0.29 0.00 0.02 0.00 0.00 61.00 63.18 3hiu s PRO 71 Cb -0.12 -2.74 0.00 0.00 0.02 0.00 0.00 34.50 31.66 3hiu s PRO 71 CO 0.03 -0.63 1.28 0.95 -0.33 0.00 0.00 177.00 178.29 3hiu s THR 72 N -1.22 4.17 -0.24 0.99 -4.23 -1.26 -4.94 115.64 108.91 3hiu s THR 72 Ca 0.58 1.32 -0.40 0.00 -1.18 0.00 0.00 61.69 62.01 3hiu s THR 72 Cb -0.41 -4.20 -0.16 0.00 1.34 0.00 0.00 72.50 69.07 3hiu s THR 72 CO 0.54 -0.50 1.68 0.00 -0.54 0.00 0.00 174.62 175.80 3hiu n ALA 73 N 7.58 -0.37 -3.22 3.99 0.00 -1.26 -4.91 120.51 122.31 3hiu n ALA 73 Ca 0.14 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.64 3hiu n ALA 73 Cb 0.47 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 3hiu n ALA 73 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hiu n LYS 74 N 4.94 3.53 0.00 0.00 5.02 -1.26 -5.12 118.16 125.28 3hiu n LYS 74 Ca 0.26 -4.61 0.00 0.00 -2.02 0.00 0.00 58.31 51.94 3hiu n LYS 74 Cb 0.13 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 3hiu n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hiu n GLY 75 N 1.15 0.00 5.00 0.72 0.00 -1.26 -4.50 105.19 106.30 3hiu n GLY 75 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3hiu n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hiu n LEU 77 N 0.00 0.00 -0.10 0.99 4.32 -1.26 -2.97 117.00 117.98 3hiu n LEU 77 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.84 3hiu n LEU 77 Cb 0.00 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3hiu n LEU 77 CO 0.00 0.00 -0.90 -1.54 -1.22 0.00 0.00 177.39 173.73 3hiu n SER 78 N 1.34 1.92 -0.34 -1.43 3.41 -1.26 -3.94 113.62 113.31 3hiu n SER 78 Ca 0.00 0.33 0.29 0.00 -0.26 0.00 0.00 58.87 59.23 3hiu n SER 78 Cb 0.00 -0.75 0.54 0.00 -0.26 0.00 0.00 64.21 63.74 3hiu n SER 78 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hiu h SER 79 N -0.98 0.40 0.28 4.04 0.02 -1.88 1.05 113.55 116.48 3hiu h SER 79 Ca -0.21 0.21 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3hiu h SER 79 Cb 1.17 0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 3hiu h SER 79 CO -0.13 -0.26 -1.89 0.52 -1.14 0.00 0.00 176.83 173.93 3hiu n VAL 80 N -5.09 1.70 0.23 2.27 0.31 -1.26 -3.77 118.33 112.72 3hiu n VAL 80 Ca 0.35 -0.72 0.15 0.00 -0.01 0.00 0.00 64.34 64.11 3hiu n VAL 80 Cb 1.16 -1.41 0.82 0.00 -0.91 0.00 0.00 33.84 33.51 3hiu n VAL 80 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3hiu h LEU 81 N 0.04 0.00 -0.89 7.52 5.85 0.49 -1.01 115.31 127.31 3hiu h LEU 81 Ca -0.37 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.24 3hiu h LEU 81 Cb 2.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 3hiu h LEU 81 CO 0.08 0.00 -0.33 0.00 -0.34 0.00 0.00 178.44 177.85 3hiu h ALA 82 N 1.88 1.06 -3.04 1.25 0.00 0.61 -3.50 119.26 117.53 3hiu h ALA 82 Ca 0.05 -0.38 -0.66 0.00 0.00 0.00 0.00 54.91 53.92 3hiu h ALA 82 Cb 0.27 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 17.68 3hiu h ALA 82 CO -0.00 0.58 -0.69 -1.12 0.00 0.00 0.00 179.25 178.02 3hiu s SER 83 N -6.84 4.59 0.00 0.00 0.01 -0.39 -5.12 113.70 105.94 3hiu s SER 83 Ca -0.06 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.68 3hiu s SER 83 Cb 0.13 -1.78 0.00 0.00 0.21 0.00 0.00 66.02 64.58 3hiu s SER 83 CO 0.79 -0.08 0.00 1.07 0.41 0.00 0.00 173.24 175.43 3hiu n THR 93 N 4.81 0.00 -0.04 1.44 5.66 -1.26 -5.08 114.28 119.80 3hiu n THR 93 Ca -0.17 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.69 3hiu n THR 93 Cb 0.50 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.16 3hiu n THR 93 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 3hiu h ASP 94 N 0.00 0.05 0.00 1.09 3.45 -2.04 -3.42 116.42 115.55 3hiu h ASP 94 Ca 0.00 -0.82 0.00 0.00 0.43 0.00 0.00 57.03 56.64 3hiu h ASP 94 Cb 0.00 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3hiu h ASP 94 CO 0.00 0.87 0.00 1.21 -1.57 0.00 0.00 179.24 179.75 3hiu n GLU 95 N -4.64 0.00 0.25 3.56 0.00 -1.26 -2.19 120.64 116.36 3hiu n GLU 95 Ca -0.10 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 56.96 3hiu n GLU 95 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.82 3hiu n GLU 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3hiu h VAL 96 N 0.00 0.00 -0.11 6.31 2.07 -1.97 -1.06 116.25 121.49 3hiu h VAL 96 Ca 0.00 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 3hiu h VAL 96 Cb 0.00 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3hiu h VAL 96 CO 0.00 0.00 0.04 0.71 0.02 0.00 0.00 177.57 178.34 3hiu h THR 97 N -1.13 1.16 -0.85 2.57 1.35 -1.75 -2.60 112.91 111.66 3hiu h THR 97 Ca -0.07 -0.49 0.07 0.00 -0.55 0.00 0.00 66.41 65.37 3hiu h THR 97 Cb 0.53 1.28 -0.06 0.00 -1.73 0.00 0.00 68.15 68.18 3hiu h THR 97 CO 0.12 0.14 0.56 0.11 -0.25 0.00 0.00 175.52 176.20 3hiu h LYS 98 N 0.01 0.91 0.00 4.72 1.79 -1.59 -1.69 116.57 120.71 3hiu h LYS 98 Ca 0.04 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 3hiu h LYS 98 Cb 0.19 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 3hiu h LYS 98 CO -0.00 0.60 -0.20 0.78 -1.08 0.00 0.00 179.45 179.55 3hiu h GLY 99 N 0.93 0.00 0.53 3.86 0.00 -0.89 -1.19 103.07 106.32 3hiu h GLY 99 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 3hiu h GLY 99 CO -0.14 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 174.32 3hiu h VAL 100 N 0.00 1.38 -0.55 4.60 2.07 -0.94 -1.15 116.25 121.66 3hiu h VAL 100 Ca -0.00 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3hiu h VAL 100 Cb 0.40 2.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 3hiu h VAL 100 CO 0.03 0.29 0.32 1.23 0.02 0.00 0.00 177.57 179.45 3hiu h GLY 101 N -0.47 0.77 0.24 2.17 0.00 -1.41 0.48 103.07 104.87 3hiu h GLY 101 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.13 3hiu h GLY 101 CO 0.00 0.19 -0.34 -2.22 0.00 0.00 0.00 176.54 174.17 3hiu h ILE 102 N 0.63 0.27 -0.87 2.60 2.04 -1.20 0.44 117.51 121.42 3hiu h ILE 102 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.06 3hiu h ILE 102 Cb 0.05 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.36 3hiu h ILE 102 CO -0.11 0.00 0.46 0.28 0.00 0.00 0.00 178.15 178.78 3hiu h SER 103 N -0.47 1.10 0.06 1.72 0.02 -0.78 -2.06 113.55 113.14 3hiu h SER 103 Ca 0.07 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3hiu h SER 103 Cb 0.57 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3hiu h SER 103 CO -0.29 0.90 -0.08 0.22 -1.14 0.00 0.00 176.83 176.44 3hiu h TYR 104 N 1.22 -0.20 -0.32 3.45 3.20 0.67 -0.09 116.97 124.90 3hiu h TYR 104 Ca 0.30 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.20 3hiu h TYR 104 Cb 0.06 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 3hiu h TYR 104 CO 0.01 -0.12 0.14 0.00 -1.64 0.00 0.00 178.16 176.54 3hiu h ALA 105 N 0.76 0.37 -0.68 1.82 0.00 -0.81 -2.22 119.26 118.51 3hiu h ALA 105 Ca 0.01 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3hiu h ALA 105 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3hiu h ALA 105 CO -0.04 -0.25 0.45 0.35 0.00 0.00 0.00 179.25 179.76 3hiu h PHE 106 N 0.29 0.58 -0.80 0.00 3.04 -0.93 0.88 116.94 120.00 3hiu h PHE 106 Ca 0.14 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.12 3hiu h PHE 106 Cb 0.07 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.35 3hiu h PHE 106 CO -0.11 0.28 0.52 0.93 -2.02 0.00 0.00 178.31 177.91 3hiu h GLU 107 N 0.55 1.02 -0.03 1.11 4.39 -0.43 -1.93 114.58 119.26 3hiu h GLU 107 Ca 0.31 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.82 3hiu h GLU 107 Cb 0.48 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3hiu h GLU 107 CO -0.10 0.67 -0.58 0.45 -1.16 0.00 0.00 179.01 178.29 3hiu h HIS 108 N 1.05 0.11 -0.64 4.33 3.86 0.11 0.92 115.15 124.90 3hiu h HIS 108 Ca 0.31 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 3hiu h HIS 108 Cb -0.06 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 3hiu h HIS 108 CO -0.02 0.65 0.24 1.25 0.86 0.00 0.00 177.93 180.91 3hiu h LEU 109 N 0.07 0.86 -0.37 2.43 5.85 -0.76 -0.93 115.31 122.46 3hiu h LEU 109 Ca -0.00 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 3hiu h LEU 109 Cb 1.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 3hiu h LEU 109 CO 0.08 0.78 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.35 3hiu h GLU 110 N 0.92 0.84 -0.23 1.25 5.08 -0.66 -0.11 114.58 121.68 3hiu h GLU 110 Ca 0.21 -0.41 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3hiu h GLU 110 Cb 0.20 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3hiu h GLU 110 CO -0.02 1.05 -0.03 0.82 -1.00 0.00 0.00 179.01 179.83 3hiu h ILE 111 N 0.64 0.80 -0.44 3.13 2.04 -0.60 0.26 117.51 123.34 3hiu h ILE 111 Ca 0.07 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.84 3hiu h ILE 111 Cb 0.85 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3hiu h ILE 111 CO 0.07 0.01 -0.06 0.00 0.00 0.00 0.00 178.15 178.17 3hiu h ALA 112 N 1.21 1.07 -0.11 1.87 0.00 -1.16 -2.08 119.26 120.07 3hiu h ALA 112 Ca 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hiu h ALA 112 Cb 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hiu h ALA 112 CO -0.21 0.58 -0.01 0.77 0.00 0.00 0.00 179.25 180.38 3hiu h SER 113 N 0.69 0.20 0.68 0.00 0.02 -0.04 -0.09 113.55 115.01 3hiu h SER 113 Ca 0.13 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 3hiu h SER 113 Cb 0.52 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3hiu h SER 113 CO 0.03 0.48 -0.13 1.88 -1.14 0.00 0.00 176.83 177.95 3hiu h TYR 114 N -0.08 0.00 -0.16 3.45 0.05 -0.55 0.06 116.97 119.74 3hiu h TYR 114 Ca 0.03 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.66 3hiu h TYR 114 Cb 0.38 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 3hiu h TYR 114 CO 0.04 0.13 -0.54 0.00 -1.05 0.00 0.00 178.16 176.74 3hiu h ARG 115 N 0.00 0.48 -0.05 4.88 3.08 -0.94 -0.17 114.38 121.65 3hiu h ARG 115 Ca -0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3hiu h ARG 115 Cb 0.51 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 3hiu h ARG 115 CO 0.02 0.90 -0.00 0.00 -1.07 0.00 0.00 179.97 179.81 3hiu h ALA 116 N 1.04 0.07 -0.77 0.04 0.00 -0.30 -3.29 119.26 116.05 3hiu h ALA 116 Ca 0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3hiu h ALA 116 Cb 1.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3hiu h ALA 116 CO 0.10 -0.25 0.47 -0.07 0.00 0.00 0.00 179.25 179.50 3hiu h LEU 117 N -0.22 0.74 0.07 0.00 3.38 -0.88 -2.58 115.31 115.82 3hiu h LEU 117 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hiu h LEU 117 Cb 0.36 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hiu h LEU 117 CO 0.00 0.49 -0.05 0.58 0.09 0.00 0.00 178.44 179.55 3hiu h VAL 118 N 0.88 0.88 -0.35 1.22 2.07 -1.12 0.14 116.25 119.97 3hiu h VAL 118 Ca 0.33 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.91 3hiu h VAL 118 Cb 0.11 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3hiu h VAL 118 CO -0.15 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.01 3hiu h VAL 119 N -0.13 0.73 -0.89 2.57 2.07 -1.60 -1.38 116.25 117.62 3hiu h VAL 119 Ca -0.00 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.55 3hiu h VAL 119 Cb 0.12 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3hiu h VAL 119 CO -0.00 0.02 0.55 0.00 0.02 0.00 0.00 177.57 178.16 3hiu h ALA 120 N 1.31 1.23 -0.66 1.67 0.00 -1.10 0.77 119.26 122.49 3hiu h ALA 120 Ca 0.17 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3hiu h ALA 120 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hiu h ALA 120 CO -0.29 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.35 3hiu h ALA 121 N 1.42 0.87 0.00 0.00 0.00 -0.13 -1.79 119.26 119.63 3hiu h ALA 121 Ca 0.39 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hiu h ALA 121 Cb 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hiu h ALA 121 CO -0.18 0.65 -0.45 0.00 0.00 0.00 0.00 179.25 179.27 3hiu h ARG 122 N 1.01 0.00 0.00 0.00 3.08 -0.53 -0.13 114.38 117.81 3hiu h ARG 122 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3hiu h ARG 122 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3hiu h ARG 122 CO 0.01 0.45 0.00 0.45 -1.07 0.00 0.00 179.97 179.81 3hiu n SER 123 N -3.45 0.00 -0.11 7.04 2.88 0.26 -0.55 113.62 119.69 3hiu n SER 123 Ca 0.00 0.04 0.04 0.00 -1.33 0.00 0.00 58.87 57.62 3hiu n SER 123 Cb 0.59 -0.21 0.05 0.00 -0.75 0.00 0.00 64.21 63.89 3hiu n SER 123 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hiu n ALA 124 N -1.21 1.95 -1.47 -1.46 0.00 -0.98 -4.81 120.51 112.52 3hiu n ALA 124 Ca 0.05 -1.53 -0.16 0.00 0.00 0.00 0.00 53.44 51.80 3hiu n ALA 124 Cb 0.06 -0.23 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 3hiu n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hiu n GLY 125 N -0.69 1.51 3.22 0.00 0.00 0.28 -4.86 105.19 104.66 3hiu n GLY 125 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 3hiu n GLY 125 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hiu n GLU 126 N -2.07 3.62 0.03 1.61 -0.58 -0.10 -4.85 120.64 118.31 3hiu n GLU 126 Ca -0.16 -3.97 -0.05 0.00 -0.42 0.00 0.00 57.16 52.56 3hiu n GLU 126 Cb 0.53 -2.85 0.16 0.00 -0.57 0.00 0.00 31.44 28.71 3hiu n GLU 126 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3hiu h GLN 127 N 6.44 0.43 -0.82 3.49 1.08 -1.89 -1.50 115.11 122.34 3hiu h GLN 127 Ca 0.30 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hiu h GLN 127 Cb 0.77 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 3hiu h GLN 127 CO 1.32 0.76 0.51 0.93 -0.95 0.00 0.00 178.83 181.40 3hiu h GLU 128 N 0.36 1.10 -0.43 1.46 3.07 -1.95 0.61 114.58 118.81 3hiu h GLU 128 Ca 0.03 -0.09 -0.15 0.00 -0.50 0.00 0.00 59.36 58.66 3hiu h GLU 128 Cb 0.85 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 3hiu h GLU 128 CO 0.07 0.76 -0.32 0.28 -1.40 0.00 0.00 179.01 178.40 3hiu h VAL 129 N 1.12 1.27 -0.26 3.13 2.07 -1.91 -1.68 116.25 120.00 3hiu h VAL 129 Ca 0.30 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.35 3hiu h VAL 129 Cb -0.08 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3hiu h VAL 129 CO -0.06 0.51 0.10 0.00 0.02 0.00 0.00 177.57 178.13 3hiu h ALA 130 N 0.81 0.29 0.00 1.67 0.00 -0.43 -1.43 119.26 120.17 3hiu h ALA 130 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3hiu h ALA 130 Cb 0.91 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3hiu h ALA 130 CO 0.08 -0.31 -0.15 0.37 0.00 0.00 0.00 179.25 179.24 3hiu h GLN 131 N 0.22 0.00 0.17 0.00 5.75 0.32 -0.65 115.11 120.92 3hiu h GLN 131 Ca 0.11 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 3hiu h GLN 131 Cb 0.07 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3hiu h GLN 131 CO -0.11 0.15 -0.08 0.82 -2.65 0.00 0.00 178.83 176.96 3hiu h ILE 132 N 0.00 0.86 0.00 2.39 1.08 -0.32 -2.86 117.51 118.66 3hiu h ILE 132 Ca -0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3hiu h ILE 132 Cb 0.29 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 3hiu h ILE 132 CO 0.02 0.03 0.00 0.00 -0.69 0.00 0.00 178.15 177.51 3hiu h GLU 134 N 0.00 -0.43 -0.12 0.00 4.57 -0.95 -2.32 114.58 115.32 3hiu h GLU 134 Ca 0.00 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3hiu h GLU 134 Cb 0.42 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3hiu h GLU 134 CO 0.00 -0.12 0.06 -0.44 -1.18 0.00 0.00 179.01 177.33 3hiu h ASP 135 N -0.96 0.14 0.06 1.04 3.32 -1.44 -1.01 116.42 117.58 3hiu h ASP 135 Ca -0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hiu h ASP 135 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3hiu h ASP 135 CO 0.08 0.12 -0.03 0.40 -1.72 0.00 0.00 179.24 178.09 3hiu h ILE 136 N 0.16 1.27 -0.89 0.35 2.04 -1.59 0.41 117.51 119.26 3hiu h ILE 136 Ca 0.04 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.69 3hiu h ILE 136 Cb 0.02 2.11 -0.14 0.00 -0.74 0.00 0.00 36.82 38.07 3hiu h ILE 136 CO -0.01 0.32 -0.38 -0.11 0.00 0.00 0.00 178.15 177.98 3hiu n LEU 137 N -4.84 -0.64 -0.16 1.44 7.94 -0.87 0.10 117.00 119.97 3hiu n LEU 137 Ca -0.08 1.55 -0.02 0.00 -1.11 0.00 0.00 56.01 56.34 3hiu n LEU 137 Cb 0.29 -0.33 0.07 0.00 0.53 0.00 0.00 43.42 43.98 3hiu n LEU 137 CO 0.31 -1.37 0.93 1.56 -1.11 0.00 0.00 177.39 177.71 3hiu h GLN 138 N 0.00 0.28 -0.21 1.96 1.08 -1.01 0.42 115.11 117.62 3hiu h GLN 138 Ca 0.28 -0.02 -0.11 0.00 -1.45 0.00 0.00 58.65 57.35 3hiu h GLN 138 Cb 0.50 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3hiu h GLN 138 CO -0.87 0.18 -0.35 1.96 -0.95 0.00 0.00 178.83 178.80 3hiu h GLN 139 N 0.28 0.45 -0.09 1.46 4.20 0.15 -1.85 115.11 119.72 3hiu h GLN 139 Ca 0.25 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3hiu h GLN 139 Cb 0.31 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3hiu h GLN 139 CO -0.29 0.74 -0.29 0.93 -0.67 0.00 0.00 178.83 179.25 3hiu h GLU 140 N 0.38 0.35 -0.71 1.46 4.39 0.12 -3.13 114.58 117.44 3hiu h GLU 140 Ca 0.04 -0.26 0.16 0.00 0.34 0.00 0.00 59.36 59.64 3hiu h GLU 140 Cb 0.79 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.37 3hiu h GLU 140 CO 0.06 0.88 0.08 0.82 -1.16 0.00 0.00 179.01 179.69 3hiu h ILE 141 N -0.11 0.44 0.00 3.13 1.08 -0.12 -1.60 117.51 120.34 3hiu h ILE 141 Ca -0.01 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3hiu h ILE 141 Cb 0.91 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3hiu h ILE 141 CO 0.06 0.03 0.00 1.21 -0.69 0.00 0.00 178.15 178.76 3hiu n GLU 142 N -5.25 0.00 0.00 2.37 2.13 -0.70 -1.69 120.64 117.50 3hiu n GLU 142 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 3hiu n GLU 142 Cb 0.45 -0.89 0.00 0.00 0.27 0.00 0.00 31.44 31.27 3hiu n GLU 142 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hiu n ALA 144 N 0.09 0.00 0.05 4.31 0.00 -0.60 -1.08 120.51 123.27 3hiu n ALA 144 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3hiu n ALA 144 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3hiu n ALA 144 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hiu h GLU 145 N 0.00 -0.19 -0.65 0.00 4.81 -1.58 -0.53 114.58 116.45 3hiu h GLU 145 Ca 0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.38 3hiu h GLU 145 Cb 0.00 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 3hiu h GLU 145 CO 0.00 0.26 0.07 2.35 -0.73 0.00 0.00 179.01 180.96 3hiu h TRP 146 N -0.82 0.09 0.21 0.92 7.01 -1.37 0.93 115.95 122.93 3hiu h TRP 146 Ca -0.02 0.04 0.01 0.00 2.11 0.00 0.00 58.89 61.03 3hiu h TRP 146 Cb 0.54 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.63 3hiu h TRP 146 CO 0.09 -0.12 -0.29 -0.07 -2.79 0.00 0.00 178.44 175.26 3hiu h LEU 147 N 0.18 -0.80 -0.93 0.65 3.38 -1.80 -2.90 115.31 113.10 3hiu h LEU 147 Ca 0.35 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 3hiu h LEU 147 Cb 0.57 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3hiu h LEU 147 CO -0.50 -0.40 0.42 -0.29 0.09 0.00 0.00 178.44 177.76 3hiu h ILE 148 N -0.56 1.25 0.00 1.22 6.09 -0.16 -2.10 117.51 123.25 3hiu h ILE 148 Ca 0.01 -0.68 0.00 0.00 -1.37 0.00 0.00 64.86 62.82 3hiu h ILE 148 Cb 0.55 0.16 0.00 0.00 0.47 0.00 0.00 36.82 37.99 3hiu h ILE 148 CO -0.11 0.30 0.00 -0.62 -3.07 0.00 0.00 178.15 174.65 3hiu n GLU 149 N -4.32 0.53 0.00 2.19 1.02 0.24 -2.42 120.64 117.88 3hiu n GLU 149 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3hiu n GLU 149 Cb 0.12 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3hiu n GLU 149 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hiu n HIS 150 N -0.77 0.00 -0.34 -0.32 8.25 -0.83 -4.83 115.22 116.37 3hiu n HIS 150 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.60 3hiu n HIS 150 Cb 0.03 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.31 3hiu n HIS 150 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 3hiu h GLN 151 N 0.00 0.01 0.39 -0.41 4.15 -1.08 -0.35 115.11 117.81 3hiu h GLN 151 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hiu h GLN 151 Cb 0.32 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 3hiu h GLN 151 CO 0.00 0.00 -0.23 1.49 -1.93 0.00 0.00 178.83 178.16 3hiu h GLU 152 N 0.01 -0.57 -0.73 1.69 4.81 -1.88 0.45 114.58 118.36 3hiu h GLU 152 Ca 0.49 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.88 3hiu h GLU 152 Cb 0.81 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 3hiu h GLU 152 CO -0.96 -0.38 0.48 0.00 -0.73 0.00 0.00 179.01 177.43 3hiu h ALA 153 N -0.00 2.03 -0.00 2.92 0.00 -1.43 0.18 119.26 122.96 3hiu h ALA 153 Ca -0.04 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3hiu h ALA 153 Cb 0.48 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3hiu h ALA 153 CO 0.05 -0.21 -0.42 0.82 0.00 0.00 0.00 179.25 179.49 3hiu h ILE 154 N 0.47 1.49 -0.50 0.00 2.04 -0.77 -2.33 117.51 117.91 3hiu h ILE 154 Ca 0.35 -2.01 0.03 0.00 1.00 0.00 0.00 64.86 64.23 3hiu h ILE 154 Cb 0.72 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 3hiu h ILE 154 CO -0.12 0.57 0.28 0.58 0.00 0.00 0.00 178.15 179.46 3hiu h VAL 155 N -0.31 1.00 0.98 1.67 2.07 0.11 0.41 116.25 122.18 3hiu h VAL 155 Ca -0.05 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3hiu h VAL 155 Cb 1.15 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3hiu h VAL 155 CO 0.08 0.10 -0.48 0.58 0.02 0.00 0.00 177.57 177.87 3hiu h VAL 156 N 0.55 0.00 -0.99 2.57 2.07 -0.79 -1.05 116.25 118.61 3hiu h VAL 156 Ca 0.21 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.02 3hiu h VAL 156 Cb 0.08 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 3hiu h VAL 156 CO -0.12 0.00 0.71 0.00 0.02 0.00 0.00 177.57 178.18 3hiu h ALA 157 N -1.36 2.93 0.09 1.67 0.00 -1.26 0.05 119.26 121.39 3hiu h ALA 157 Ca -0.13 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hiu h ALA 157 Cb 1.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hiu h ALA 157 CO 0.21 -1.21 -0.04 0.35 0.00 0.00 0.00 179.25 178.56 3hiu h PHE 158 N 0.00 -0.11 0.00 0.00 3.57 -0.46 -2.66 116.94 117.28 3hiu h PHE 158 Ca 0.47 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.93 3hiu h PHE 158 Cb 1.88 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.65 3hiu h PHE 158 CO -0.00 0.37 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.23 3hiu h LEU 159 N -0.66 0.00 -0.07 0.59 3.38 0.28 -2.67 115.31 116.16 3hiu h LEU 159 Ca -0.01 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 3hiu h LEU 159 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hiu h LEU 159 CO 0.02 0.15 -1.01 -0.33 0.09 0.00 0.00 178.44 177.36 3hiu h GLU 160 N 0.00 0.58 -0.38 1.13 5.08 -1.19 -1.24 114.58 118.56 3hiu h GLU 160 Ca -0.00 -0.63 -0.07 0.00 -1.00 0.00 0.00 59.36 57.66 3hiu h GLU 160 Cb 0.33 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3hiu h GLU 160 CO 0.02 1.24 -0.02 -0.09 -1.00 0.00 0.00 179.01 179.16 3hiu h ARG 161 N 0.33 0.69 -0.56 2.33 2.43 -1.25 -0.18 114.38 118.17 3hiu h ARG 161 Ca -0.11 -0.23 0.08 0.00 -0.81 0.00 0.00 59.98 58.91 3hiu h ARG 161 Cb 1.66 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 31.12 3hiu h ARG 161 CO 0.19 0.80 0.38 1.49 -1.51 0.00 0.00 179.97 181.32 3hiu h GLU 162 N 0.51 0.40 -0.43 0.20 4.81 -1.53 -2.64 114.58 115.90 3hiu h GLU 162 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3hiu h GLU 162 Cb 0.51 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3hiu h GLU 162 CO 0.02 0.27 0.00 0.94 -0.73 0.00 0.00 179.01 179.51 3hiu n GLN 163 N -4.47 1.59 0.00 1.92 7.27 -0.12 -5.11 117.38 118.46 3hiu n GLN 163 Ca 0.09 -0.67 0.12 0.00 0.07 0.00 0.00 57.00 56.61 3hiu n GLN 163 Cb 0.32 -1.33 0.10 0.00 2.41 0.00 0.00 30.24 31.74 3hiu n GLN 163 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41