#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha4 h LEU 56 N 0.00 1.05 -0.07 -4.62 5.85 -2.05 -3.10 115.31 112.38 3ha4 h LEU 56 Ca 0.00 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3ha4 h LEU 56 Cb 0.00 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.76 3ha4 h LEU 56 CO 0.00 0.88 0.03 -0.65 -0.34 0.00 0.00 178.44 178.36 3ha4 h PRO 57 N 1.15 0.10 0.00 5.25 0.11 -2.05 -1.31 132.00 135.25 3ha4 h PRO 57 Ca 0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3ha4 h PRO 57 Cb 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.19 3ha4 h PRO 57 CO -0.04 0.24 0.00 0.39 -0.21 0.00 0.00 178.00 178.38 3ha4 n GLU 58 N -4.95 0.00 0.00 1.05 -0.58 -1.18 -2.78 120.64 112.20 3ha4 n GLU 58 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3ha4 n GLU 58 Cb 0.11 -0.37 0.00 0.00 -0.57 0.00 0.00 31.44 30.61 3ha4 n GLU 58 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3ha4 n GLU 59 N -0.12 0.00 -0.27 3.49 1.02 -1.20 0.36 120.64 123.92 3ha4 n GLU 59 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3ha4 n GLU 59 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.55 3ha4 n GLU 59 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3ha4 h LEU 60 N 0.00 1.02 -0.47 -4.62 -0.00 -1.30 -2.50 115.31 107.45 3ha4 h LEU 60 Ca 0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 57.70 3ha4 h LEU 60 Cb 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.38 3ha4 h LEU 60 CO 0.00 0.86 0.03 -0.33 -0.00 0.00 0.00 178.44 178.99 3ha4 h GLU 61 N 1.12 0.81 0.00 1.13 4.39 0.65 -2.48 114.58 120.20 3ha4 h GLU 61 Ca 0.27 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3ha4 h GLU 61 Cb 0.10 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3ha4 h GLU 61 CO -0.04 0.85 0.00 0.00 -1.16 0.00 0.00 179.01 178.67 3ha4 h ALA 62 N 0.93 1.00 0.00 3.43 0.00 -1.40 -1.33 119.26 121.89 3ha4 h ALA 62 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3ha4 h ALA 62 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ha4 h ALA 62 CO 0.02 0.00 -0.58 0.37 0.00 0.00 0.00 179.25 179.06 3ha4 h GLN 63 N 0.00 0.00 0.05 0.00 4.15 -1.00 -2.44 115.11 115.87 3ha4 h GLN 63 Ca 0.00 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.15 3ha4 h GLN 63 Cb 0.36 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 3ha4 h GLN 63 CO 0.00 0.58 -1.37 0.07 -1.93 0.00 0.00 178.83 176.18 3ha4 h ARG 64 N 0.00 0.11 -0.50 1.69 0.11 -1.23 -3.14 114.38 111.42 3ha4 h ARG 64 Ca -0.01 -0.20 -0.03 0.00 0.10 0.00 0.00 59.98 59.85 3ha4 h ARG 64 Cb 1.37 0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.50 3ha4 h ARG 64 CO 0.07 0.95 0.22 1.96 0.10 0.00 0.00 179.97 183.28 3ha4 h GLN 65 N 0.03 0.74 -0.52 0.08 1.08 -1.29 -3.23 115.11 112.00 3ha4 h GLN 65 Ca -0.17 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 56.84 3ha4 h GLN 65 Cb 1.93 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 29.21 3ha4 h GLN 65 CO 0.14 0.65 0.04 0.00 -0.95 0.00 0.00 178.83 178.70 3ha4 h ARG 66 N 0.67 0.90 -0.39 1.46 3.08 -1.55 -2.67 114.38 115.88 3ha4 h ARG 66 Ca 0.17 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 60.02 3ha4 h ARG 66 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3ha4 h ARG 66 CO -0.02 0.90 0.27 1.25 -1.07 0.00 0.00 179.97 181.30 3ha4 h HIS 67 N 0.77 0.27 0.00 3.04 2.76 -1.60 -2.47 115.15 117.93 3ha4 h HIS 67 Ca 0.15 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3ha4 h HIS 67 Cb 0.47 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.34 3ha4 h HIS 67 CO 0.03 0.15 -0.33 -0.91 -1.30 0.00 0.00 177.93 175.57 3ha4 h ASN 68 N 0.27 0.00 -1.84 3.26 2.35 -1.50 -3.46 115.58 114.66 3ha4 h ASN 68 Ca 0.17 -0.06 -0.66 0.00 -0.55 0.00 0.00 56.30 55.21 3ha4 h ASN 68 Cb 0.34 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.73 3ha4 h ASN 68 CO -0.04 0.03 1.06 -0.67 -1.65 0.00 0.00 177.43 176.16 3ha4 n ASP 69 N -2.52 3.08 0.33 5.81 -0.08 -0.93 -4.83 116.55 117.42 3ha4 n ASP 69 Ca 0.04 0.98 0.22 0.00 -1.51 0.00 0.00 54.79 54.51 3ha4 n ASP 69 Cb 0.48 -1.30 1.15 0.00 2.34 0.00 0.00 41.12 43.79 3ha4 n ASP 69 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ha4 h PRO 70 N 8.79 0.00 -0.00 -0.67 0.11 -1.89 -1.71 132.00 136.62 3ha4 h PRO 70 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ha4 h PRO 70 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ha4 h PRO 70 CO 0.96 0.00 -0.15 0.54 -0.21 0.00 0.00 178.00 179.14 3ha4 n ARG 71 N -3.14 0.64 -1.67 1.05 1.74 -1.26 -4.89 116.66 109.11 3ha4 n ARG 71 Ca -0.03 -0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 3ha4 n ARG 71 Cb 0.09 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 3ha4 n ARG 71 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3ha4 n ARG 72 N -0.96 2.87 -2.47 5.56 0.63 -0.65 -4.96 116.66 116.68 3ha4 n ARG 72 Ca 0.13 1.05 -0.42 0.00 -0.92 0.00 0.00 57.85 57.69 3ha4 n ARG 72 Cb 0.30 -2.98 -0.03 0.00 0.45 0.00 0.00 32.46 30.20 3ha4 n ARG 72 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3ha4 s PRO 73 N 3.67 4.38 0.27 -0.14 0.05 -1.26 -4.98 135.00 137.00 3ha4 s PRO 73 Ca 0.86 1.68 -0.30 0.00 0.05 0.00 0.00 61.00 63.28 3ha4 s PRO 73 Cb -0.45 -3.51 -0.13 0.00 0.05 0.00 0.00 34.50 30.46 3ha4 s PRO 73 CO 0.40 -0.39 1.42 -2.30 0.05 0.00 0.00 177.00 176.17 3ha4 n PRO 74 N 4.90 2.18 -0.25 0.56 -0.02 -1.26 -4.79 135.00 136.32 3ha4 n PRO 74 Ca 0.10 0.77 0.03 0.00 -2.02 0.00 0.00 63.50 62.39 3ha4 n PRO 74 Cb 0.46 -2.44 0.16 0.00 -0.02 0.00 0.00 33.50 31.67 3ha4 n PRO 74 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3ha4 h TRP 75 N 3.95 0.61 -0.73 6.00 7.01 -1.99 -1.93 115.95 128.88 3ha4 h TRP 75 Ca -0.46 0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.61 3ha4 h TRP 75 Cb 1.27 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 28.13 3ha4 h TRP 75 CO 0.55 0.17 0.48 -1.35 -2.79 0.00 0.00 178.44 175.50 3ha4 h PRO 76 N 0.55 0.85 -0.20 2.65 0.11 -1.99 0.14 132.00 134.12 3ha4 h PRO 76 Ca 0.38 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.23 3ha4 h PRO 76 Cb 0.48 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.41 3ha4 h PRO 76 CO -0.32 0.56 -0.70 1.25 -0.21 0.00 0.00 178.00 178.58 3ha4 h LEU 77 N 0.88 0.96 -0.49 2.35 5.85 -1.76 0.12 115.31 123.23 3ha4 h LEU 77 Ca 0.29 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3ha4 h LEU 77 Cb 0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3ha4 h LEU 77 CO -0.08 1.40 0.27 0.25 -0.34 0.00 0.00 178.44 179.94 3ha4 h LEU 78 N 0.59 0.60 -0.38 2.25 5.85 -0.81 0.16 115.31 123.57 3ha4 h LEU 78 Ca -0.03 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3ha4 h LEU 78 Cb 1.33 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 3ha4 h LEU 78 CO 0.15 0.51 0.21 -0.74 -0.34 0.00 0.00 178.44 178.23 3ha4 h HIS 79 N 0.64 0.52 -0.60 1.25 2.76 -0.71 -0.07 115.15 118.95 3ha4 h HIS 79 Ca 0.17 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.40 3ha4 h HIS 79 Cb 0.03 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.77 3ha4 h HIS 79 CO -0.02 0.40 0.29 0.37 -1.30 0.00 0.00 177.93 177.66 3ha4 h GLN 80 N 0.49 0.51 -0.10 5.26 4.15 -0.52 -0.11 115.11 124.78 3ha4 h GLN 80 Ca 0.13 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 3ha4 h GLN 80 Cb 0.05 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3ha4 h GLN 80 CO -0.02 0.34 -0.35 0.00 -1.93 0.00 0.00 178.83 176.87 3ha4 h ARG 81 N 0.53 0.21 -0.22 1.69 3.08 -0.30 -1.45 114.38 117.91 3ha4 h ARG 81 Ca 0.28 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 3ha4 h ARG 81 Cb 0.25 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3ha4 h ARG 81 CO -0.22 0.54 -0.38 0.28 -1.07 0.00 0.00 179.97 179.12 3ha4 h VAL 82 N 0.18 1.32 -0.41 2.04 2.07 -0.48 -2.56 116.25 118.41 3ha4 h VAL 82 Ca 0.02 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.96 3ha4 h VAL 82 Cb 0.71 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 3ha4 h VAL 82 CO 0.05 0.50 0.27 0.58 0.02 0.00 0.00 177.57 178.99 3ha4 h VAL 83 N 0.34 1.11 -0.60 2.57 2.07 -0.88 -1.70 116.25 119.16 3ha4 h VAL 83 Ca 0.02 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3ha4 h VAL 83 Cb 0.97 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3ha4 h VAL 83 CO 0.09 0.10 0.14 -0.07 0.02 0.00 0.00 177.57 177.85 3ha4 h LEU 84 N 0.55 0.91 -0.56 2.57 3.38 -1.15 -2.96 115.31 118.05 3ha4 h LEU 84 Ca 0.15 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.97 3ha4 h LEU 84 Cb -0.06 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.34 3ha4 h LEU 84 CO -0.03 0.91 -0.44 -0.07 0.09 0.00 0.00 178.44 178.89 3ha4 h LEU 85 N 0.87 -1.52 -0.94 1.67 3.38 -0.89 -0.66 115.31 117.21 3ha4 h LEU 85 Ca 0.19 0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.44 3ha4 h LEU 85 Cb 0.36 0.68 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 3ha4 h LEU 85 CO 0.00 -0.34 0.61 0.03 0.09 0.00 0.00 178.44 178.83 3ha4 h ARG 86 N -0.24 1.14 -0.33 1.13 3.08 -1.35 -1.20 114.38 116.61 3ha4 h ARG 86 Ca 0.17 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3ha4 h ARG 86 Cb 0.56 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3ha4 h ARG 86 CO -0.68 0.75 0.00 0.39 -1.07 0.00 0.00 179.97 179.37 3ha4 n GLU 87 N -4.50 1.85 -0.54 0.04 -0.58 -0.93 -4.90 120.64 111.09 3ha4 n GLU 87 Ca 0.13 -1.31 0.00 0.00 -0.42 0.00 0.00 57.16 55.55 3ha4 n GLU 87 Cb 0.10 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 3ha4 n GLU 87 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ha4 n GLY 88 N 1.12 0.73 0.00 0.62 0.00 -0.45 -5.02 105.19 102.18 3ha4 n GLY 88 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ha4 n GLY 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ha4 n LYS 89 N -2.54 0.95 0.00 1.61 5.02 -0.30 -4.98 118.16 117.91 3ha4 n LYS 89 Ca 0.00 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 3ha4 n LYS 89 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 3ha4 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ha4 n GLY 90 N -0.18 1.57 2.62 0.72 0.00 -1.22 -4.91 105.19 103.79 3ha4 n GLY 90 Ca 0.00 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 3ha4 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha4 n ALA 91 N 2.51 3.41 0.13 4.61 0.00 -1.26 -4.91 120.51 125.00 3ha4 n ALA 91 Ca 0.00 -4.25 0.17 0.00 0.00 0.00 0.00 53.44 49.35 3ha4 n ALA 91 Cb 0.00 -0.93 0.73 0.00 0.00 0.00 0.00 19.45 19.25 3ha4 n ALA 91 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ha4 h PRO 92 N 4.97 0.00 0.00 0.00 0.13 -1.98 0.73 132.00 135.86 3ha4 h PRO 92 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3ha4 h PRO 92 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3ha4 h PRO 92 CO 0.67 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.37 3ha4 h GLU 93 N 0.00 0.00 -0.12 0.86 3.07 -1.92 -2.60 114.58 113.87 3ha4 h GLU 93 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3ha4 h GLU 93 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3ha4 h GLU 93 CO -0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 3ha4 n ASP 94 N -2.52 2.45 -0.24 1.42 8.00 0.25 -4.66 116.55 121.25 3ha4 n ASP 94 Ca -0.02 -1.70 0.03 0.00 0.71 0.00 0.00 54.79 53.81 3ha4 n ASP 94 Cb 0.06 -0.07 0.11 0.00 -0.02 0.00 0.00 41.12 41.20 3ha4 n ASP 94 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ha4 h ILE 95 N 2.80 0.33 -0.46 0.53 2.04 -1.55 -0.10 117.51 121.10 3ha4 h ILE 95 Ca 0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3ha4 h ILE 95 Cb 0.65 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3ha4 h ILE 95 CO 0.00 0.01 0.20 0.00 0.00 0.00 0.00 178.15 178.36 3ha4 h ALA 96 N 1.69 0.60 -0.42 1.87 0.00 -1.83 -1.67 119.26 119.51 3ha4 h ALA 96 Ca 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ha4 h ALA 96 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ha4 h ALA 96 CO -0.68 0.20 0.24 1.25 0.00 0.00 0.00 179.25 180.25 3ha4 h LEU 97 N 0.61 0.51 -0.73 0.00 6.46 -1.59 -1.06 115.31 119.51 3ha4 h LEU 97 Ca 0.16 -0.07 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 3ha4 h LEU 97 Cb 0.17 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 3ha4 h LEU 97 CO -0.01 0.44 -0.18 0.24 -0.62 0.00 0.00 178.44 178.30 3ha4 h MET 98 N 0.55 0.78 -0.08 1.25 2.86 -0.94 -1.37 114.93 117.99 3ha4 h MET 98 Ca 0.15 -0.30 -0.18 0.00 -2.06 0.00 0.00 59.70 57.31 3ha4 h MET 98 Cb 0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 3ha4 h MET 98 CO -0.03 0.91 -0.71 2.35 1.06 0.00 0.00 176.91 180.49 3ha4 h TRP 99 N 0.69 0.51 -0.61 -0.22 2.91 -1.23 -1.78 115.95 116.22 3ha4 h TRP 99 Ca 0.10 -0.22 -0.05 0.00 1.13 0.00 0.00 58.89 59.86 3ha4 h TRP 99 Cb 0.68 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.23 3ha4 h TRP 99 CO 0.04 0.97 0.20 0.93 -1.03 0.00 0.00 178.44 179.54 3ha4 h GLU 100 N 0.26 0.92 0.00 2.65 3.07 -1.06 -1.61 114.58 118.81 3ha4 h GLU 100 Ca -0.03 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.36 58.55 3ha4 h GLU 100 Cb 1.28 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 3ha4 h GLU 100 CO 0.12 0.78 -0.51 1.96 -1.40 0.00 0.00 179.01 179.96 3ha4 h GLN 101 N 0.89 0.00 -0.02 2.33 4.20 -1.07 -1.30 115.11 120.15 3ha4 h GLN 101 Ca 0.20 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 3ha4 h GLN 101 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3ha4 h GLN 101 CO -0.01 0.51 -0.17 1.15 -0.67 0.00 0.00 178.83 179.64 3ha4 h THR 102 N 0.00 1.53 -0.82 -0.54 2.02 -0.81 -1.41 112.91 112.88 3ha4 h THR 102 Ca -0.01 -1.78 -0.04 0.00 0.77 0.00 0.00 66.41 65.35 3ha4 h THR 102 Cb 0.93 2.64 -0.04 0.00 -1.74 0.00 0.00 68.15 69.94 3ha4 h THR 102 CO 0.07 0.48 0.36 0.11 0.37 0.00 0.00 175.52 176.91 3ha4 h LYS 103 N -0.50 1.20 -0.10 6.66 1.57 -1.29 0.31 116.57 124.40 3ha4 h LYS 103 Ca -0.02 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 3ha4 h LYS 103 Cb 0.88 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3ha4 h LYS 103 CO 0.03 0.94 -0.30 1.25 -0.57 0.00 0.00 179.45 180.80 3ha4 h HIS 104 N 1.17 0.51 0.00 -1.35 2.76 -1.25 -3.31 115.15 113.68 3ha4 h HIS 104 Ca 0.28 -0.20 -0.37 0.00 -2.20 0.00 0.00 60.37 57.88 3ha4 h HIS 104 Cb 0.17 -0.09 -0.07 0.00 1.55 0.00 0.00 27.41 28.97 3ha4 h HIS 104 CO 0.02 0.92 -2.37 0.66 -1.30 0.00 0.00 177.93 175.86 3ha4 n TYR 105 N -4.42 0.04 -2.90 5.26 4.01 -0.53 -4.72 117.16 113.90 3ha4 n TYR 105 Ca -0.07 0.01 -0.25 0.00 -0.16 0.00 0.00 57.90 57.43 3ha4 n TYR 105 Cb 0.48 -1.01 -0.03 0.00 -0.31 0.00 0.00 39.34 38.47 3ha4 n TYR 105 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3ha4 n TYR 106 N -2.80 3.37 0.29 -0.72 4.01 0.11 -4.90 117.16 116.52 3ha4 n TYR 106 Ca -0.33 -3.82 0.19 0.00 -0.16 0.00 0.00 57.90 53.77 3ha4 n TYR 106 Cb 1.14 -0.42 0.97 0.00 -0.31 0.00 0.00 39.34 40.72 3ha4 n TYR 106 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3ha4 h PRO 107 N 2.93 0.00 -0.01 -0.72 0.11 -1.63 -2.40 132.00 130.27 3ha4 h PRO 107 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3ha4 h PRO 107 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3ha4 h PRO 107 CO 0.77 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 178.23 3ha4 n ALA 108 N -2.14 3.18 -1.77 -0.75 0.00 -1.26 -4.87 120.51 112.90 3ha4 n ALA 108 Ca -0.01 -0.56 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 3ha4 n ALA 108 Cb 0.23 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 3ha4 n ALA 108 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ha4 s ASP 109 N -1.94 6.81 -0.01 0.00 2.15 -0.91 -4.84 116.67 117.93 3ha4 s ASP 109 Ca 0.15 2.50 0.08 0.00 0.43 0.00 0.00 52.55 55.71 3ha4 s ASP 109 Cb 0.14 -2.63 -0.10 0.00 -0.30 0.00 0.00 42.92 40.02 3ha4 s ASP 109 CO 0.41 -0.49 0.25 -2.67 -0.17 0.00 0.00 175.17 172.51 3ha4 n TRP 110 N 0.68 0.00 0.03 -5.34 4.27 -1.26 -4.58 117.44 111.24 3ha4 n TRP 110 Ca 0.01 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.43 3ha4 n TRP 110 Cb 0.44 -0.09 -0.10 0.00 -1.36 0.00 0.00 31.31 30.19 3ha4 n TRP 110 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 3ha4 h LEU 111 N 0.00 0.83 -0.18 5.67 5.85 -1.91 -0.84 115.31 124.72 3ha4 h LEU 111 Ca 0.00 -0.73 -0.07 0.00 0.84 0.00 0.00 57.88 57.91 3ha4 h LEU 111 Cb 0.27 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 3ha4 h LEU 111 CO 0.00 1.45 -0.18 0.40 -0.34 0.00 0.00 178.44 179.78 3ha4 h ILE 112 N 0.28 1.34 -0.90 4.05 2.04 -1.98 -2.94 117.51 119.40 3ha4 h ILE 112 Ca -0.11 -1.33 0.14 0.00 1.00 0.00 0.00 64.86 64.55 3ha4 h ILE 112 Cb 1.58 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 39.39 3ha4 h ILE 112 CO 0.18 0.40 0.58 -0.65 0.00 0.00 0.00 178.15 178.66 3ha4 h PRO 113 N 0.09 0.72 -0.60 2.37 0.11 -1.80 -0.11 132.00 132.78 3ha4 h PRO 113 Ca 0.03 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 3ha4 h PRO 113 Cb 0.71 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.64 3ha4 h PRO 113 CO 0.04 0.48 0.10 1.25 -0.21 0.00 0.00 178.00 179.66 3ha4 h LEU 114 N 0.74 0.92 -0.27 2.35 5.85 -1.11 -0.76 115.31 123.03 3ha4 h LEU 114 Ca 0.45 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.80 3ha4 h LEU 114 Cb 0.67 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3ha4 h LEU 114 CO -0.21 0.92 -0.47 -0.33 -0.34 0.00 0.00 178.44 178.01 3ha4 h GLU 115 N 0.92 0.80 -0.03 1.25 4.39 -1.10 -2.18 114.58 118.62 3ha4 h GLU 115 Ca 0.19 -0.50 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 3ha4 h GLU 115 Cb 0.40 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3ha4 h GLU 115 CO 0.01 1.13 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.64 3ha4 h LEU 116 N 0.56 0.05 -0.51 1.33 4.07 -1.00 -2.04 115.31 117.77 3ha4 h LEU 116 Ca 0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 3ha4 h LEU 116 Cb 1.07 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 3ha4 h LEU 116 CO 0.11 0.33 0.16 0.74 -1.08 0.00 0.00 178.44 178.70 3ha4 h THR 117 N 0.05 1.23 -0.86 0.22 2.02 -0.75 -1.86 112.91 112.96 3ha4 h THR 117 Ca 0.01 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.42 3ha4 h THR 117 Cb 0.52 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3ha4 h THR 117 CO 0.04 0.29 0.56 1.56 0.37 0.00 0.00 175.52 178.33 3ha4 h GLN 118 N 0.69 1.14 -0.11 6.66 1.08 -0.85 -1.54 115.11 122.20 3ha4 h GLN 118 Ca 0.16 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.31 3ha4 h GLN 118 Cb 0.28 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 3ha4 h GLN 118 CO -0.00 0.77 -0.04 0.28 -0.95 0.00 0.00 178.83 178.88 3ha4 h VAL 119 N 1.17 0.86 -0.50 -0.54 2.07 -1.03 -1.69 116.25 116.59 3ha4 h VAL 119 Ca 0.31 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.79 3ha4 h VAL 119 Cb -0.12 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3ha4 h VAL 119 CO -0.07 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.58 3ha4 h LEU 120 N -0.02 0.70 -0.04 2.57 3.38 -1.17 -1.13 115.31 119.60 3ha4 h LEU 120 Ca 0.06 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3ha4 h LEU 120 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ha4 h LEU 120 CO -0.12 0.69 -0.03 0.50 0.09 0.00 0.00 178.44 179.56 3ha4 h LYS 121 N 0.74 0.10 -0.00 1.13 3.64 -1.00 -3.36 116.57 117.80 3ha4 h LYS 121 Ca 0.17 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3ha4 h LYS 121 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3ha4 h LYS 121 CO -0.00 0.54 -0.95 0.66 -2.27 0.00 0.00 179.45 177.42 3ha4 n TYR 122 N -4.79 0.00 -2.66 1.91 4.01 -0.66 -4.92 117.16 110.05 3ha4 n TYR 122 Ca -0.08 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.31 3ha4 n TYR 122 Cb 0.27 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.24 3ha4 n TYR 122 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3ha4 s SER 123 N -2.97 6.87 0.98 7.72 0.01 -0.43 -5.04 113.70 120.85 3ha4 s SER 123 Ca 0.09 1.90 -0.12 0.00 1.31 0.00 0.00 55.95 59.13 3ha4 s SER 123 Cb 0.16 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 64.00 3ha4 s SER 123 CO 0.85 -0.41 1.08 -0.94 0.41 0.00 0.00 173.24 174.23 3ha4 s SER 124 N -1.77 2.63 0.26 2.44 1.04 -1.26 -4.84 113.70 112.20 3ha4 s SER 124 Ca 0.58 1.52 0.07 0.00 0.48 0.00 0.00 55.95 58.60 3ha4 s SER 124 Cb -0.17 -2.19 0.34 0.00 0.10 0.00 0.00 66.02 64.10 3ha4 s SER 124 CO 0.22 -3.17 1.61 1.23 0.98 0.00 0.00 173.24 174.11 3ha4 h GLY 125 N -1.92 0.17 0.72 7.32 0.00 -1.96 -1.93 103.07 105.48 3ha4 h GLY 125 Ca -0.53 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 3ha4 h GLY 125 CO 0.53 0.18 0.00 0.50 0.00 0.00 0.00 176.54 177.74 3ha4 h LYS 126 N 0.12 0.06 0.00 4.80 1.57 -1.97 0.19 116.57 121.34 3ha4 h LYS 126 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3ha4 h LYS 126 Cb 1.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3ha4 h LYS 126 CO 0.08 0.34 0.00 0.98 -0.57 0.00 0.00 179.45 180.29 3ha4 n TYR 127 N -4.90 0.00 -0.33 -1.35 9.36 -1.20 -0.57 117.16 118.17 3ha4 n TYR 127 Ca -0.07 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.34 3ha4 n TYR 127 Cb 0.17 -0.43 0.37 0.00 -0.63 0.00 0.00 39.34 38.83 3ha4 n TYR 127 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3ha4 h LEU 128 N 0.00 -0.18 -0.72 2.98 4.07 -1.34 0.26 115.31 120.38 3ha4 h LEU 128 Ca 0.00 0.26 -0.13 0.00 0.08 0.00 0.00 57.88 58.09 3ha4 h LEU 128 Cb 0.00 0.39 -0.02 0.00 1.08 0.00 0.00 40.66 42.11 3ha4 h LEU 128 CO 0.00 -0.35 -0.62 -0.61 -1.08 0.00 0.00 178.44 175.79 3ha4 h GLN 129 N 0.04 0.00 -0.58 1.13 5.75 -0.26 0.29 115.11 121.49 3ha4 h GLN 129 Ca 0.66 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 59.05 3ha4 h GLN 129 Cb 1.49 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.02 3ha4 h GLN 129 CO -0.84 0.62 -0.06 1.15 -2.65 0.00 0.00 178.83 177.04 3ha4 h THR 130 N 0.00 1.27 0.00 2.39 2.02 0.20 -3.33 112.91 115.46 3ha4 h THR 130 Ca -0.01 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3ha4 h THR 130 Cb 1.12 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3ha4 h THR 130 CO 0.08 0.44 -1.73 -1.22 0.37 0.00 0.00 175.52 173.46 3ha4 n TYR 131 N -4.16 0.00 -4.04 3.16 4.01 -1.04 -4.89 117.16 110.20 3ha4 n TYR 131 Ca 0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.45 3ha4 n TYR 131 Cb 0.38 -0.37 -0.16 0.00 -0.31 0.00 0.00 39.34 38.88 3ha4 n TYR 131 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ha4 s VAL 132 N -3.28 1.79 0.14 -0.72 1.01 0.08 -4.67 120.40 114.75 3ha4 s VAL 132 Ca -0.05 -1.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 3ha4 s VAL 132 Cb 0.13 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3ha4 s VAL 132 CO 0.82 0.26 1.59 0.00 0.00 0.00 0.00 175.10 177.78 3ha4 h ALA 133 N 7.95 -0.41 -3.11 5.51 0.00 -1.84 -3.33 119.26 124.02 3ha4 h ALA 133 Ca -0.32 0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.00 3ha4 h ALA 133 Cb 1.10 0.72 -0.41 0.00 0.00 0.00 0.00 17.79 19.20 3ha4 h ALA 133 CO 0.52 -0.83 -0.65 0.34 0.00 0.00 0.00 179.25 178.62 3ha4 s ASP 134 N -4.96 4.17 0.28 0.00 -1.08 -1.26 -4.96 116.67 108.86 3ha4 s ASP 134 Ca -0.15 -3.28 -0.00 0.00 -0.52 0.00 0.00 52.55 48.59 3ha4 s ASP 134 Cb 0.11 -1.43 0.49 0.00 -1.46 0.00 0.00 42.92 40.62 3ha4 s ASP 134 CO 0.66 -0.17 1.86 -0.65 0.52 0.00 0.00 175.17 177.38 3ha4 h PRO 135 N 6.04 1.05 -0.17 4.34 0.11 -1.88 -1.86 132.00 139.63 3ha4 h PRO 135 Ca 0.05 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 3ha4 h PRO 135 Cb 0.84 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3ha4 h PRO 135 CO 0.64 0.70 -0.08 0.22 -0.21 0.00 0.00 178.00 179.26 3ha4 h ASP 136 N 1.08 0.36 -0.64 -2.05 3.58 -1.93 -0.59 116.42 116.24 3ha4 h ASP 136 Ca 0.47 -0.41 0.12 0.00 0.42 0.00 0.00 57.03 57.62 3ha4 h ASP 136 Cb 0.34 -0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.20 3ha4 h ASP 136 CO -0.22 0.70 0.20 -0.08 -2.88 0.00 0.00 179.24 176.95 3ha4 h GLU 137 N 0.03 0.33 0.07 0.28 4.81 -1.86 -1.30 114.58 116.94 3ha4 h GLU 137 Ca 0.04 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3ha4 h GLU 137 Cb 0.56 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3ha4 h GLU 137 CO 0.02 0.22 -0.07 1.98 -0.73 0.00 0.00 179.01 180.44 3ha4 h MET 138 N 0.34 -0.15 -0.56 1.92 4.05 -0.99 -1.23 114.93 118.31 3ha4 h MET 138 Ca 0.34 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.83 3ha4 h MET 138 Cb 0.49 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 3ha4 h MET 138 CO -0.38 -0.10 0.37 -0.09 0.23 0.00 0.00 176.91 176.95 3ha4 h ARG 139 N -0.15 0.50 -0.49 0.39 2.43 -0.58 -0.67 114.38 115.81 3ha4 h ARG 139 Ca 0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3ha4 h ARG 139 Cb 0.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3ha4 h ARG 139 CO -0.02 0.33 -0.06 0.87 -1.51 0.00 0.00 179.97 179.58 3ha4 h LYS 140 N 0.52 0.91 -0.64 0.20 1.57 -0.71 -2.43 116.57 115.99 3ha4 h LYS 140 Ca 0.24 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3ha4 h LYS 140 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3ha4 h LYS 140 CO -0.07 0.97 0.06 0.93 -0.57 0.00 0.00 179.45 180.77 3ha4 h GLU 141 N 0.76 1.09 -0.48 3.15 5.08 0.01 0.39 114.58 124.57 3ha4 h GLU 141 Ca 0.13 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 3ha4 h GLU 141 Cb 0.60 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3ha4 h GLU 141 CO 0.04 1.02 0.01 0.28 -1.00 0.00 0.00 179.01 179.36 3ha4 h VAL 142 N 1.00 1.26 -0.10 3.13 2.07 -1.25 -0.29 116.25 122.07 3ha4 h VAL 142 Ca 0.19 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3ha4 h VAL 142 Cb 0.50 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 3ha4 h VAL 142 CO 0.02 0.37 -0.17 0.25 0.02 0.00 0.00 177.57 178.06 3ha4 h LEU 143 N 0.71 -0.53 -0.68 2.57 5.85 -1.26 -1.59 115.31 120.37 3ha4 h LEU 143 Ca 0.14 0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3ha4 h LEU 143 Cb 0.50 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3ha4 h LEU 143 CO 0.02 -0.22 0.39 -0.03 -0.34 0.00 0.00 178.44 178.25 3ha4 h MET 144 N -0.23 0.69 -0.40 1.25 4.05 -0.47 0.09 114.93 119.91 3ha4 h MET 144 Ca 0.09 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 3ha4 h MET 144 Cb 0.36 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3ha4 h MET 144 CO -0.24 0.46 -0.02 0.37 0.23 0.00 0.00 176.91 177.71 3ha4 h GLN 145 N 0.71 0.73 -0.25 0.39 4.15 -0.95 -1.03 115.11 118.85 3ha4 h GLN 145 Ca 0.30 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.44 3ha4 h GLN 145 Cb 0.18 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3ha4 h GLN 145 CO -0.18 0.83 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.45 3ha4 h LEU 146 N 0.55 0.36 -0.09 -2.39 3.38 -0.84 -2.03 115.31 114.25 3ha4 h LEU 146 Ca 0.11 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3ha4 h LEU 146 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ha4 h LEU 146 CO 0.03 0.44 -0.35 -0.07 0.09 0.00 0.00 178.44 178.57 3ha4 h LEU 147 N 0.37 0.46 -0.79 1.67 3.38 -0.73 -1.07 115.31 118.60 3ha4 h LEU 147 Ca 0.08 -0.63 0.17 0.00 0.09 0.00 0.00 57.88 57.59 3ha4 h LEU 147 Cb 0.29 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 3ha4 h LEU 147 CO 0.01 1.01 0.29 0.78 0.09 0.00 0.00 178.44 180.63 3ha4 h ASN 148 N -0.06 0.22 -0.20 -0.43 2.35 -0.94 -0.08 115.58 116.44 3ha4 h ASN 148 Ca -0.02 0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3ha4 h ASN 148 Cb 0.99 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 3ha4 h ASN 148 CO 0.07 0.04 -0.03 0.58 -1.65 0.00 0.00 177.43 176.44 3ha4 h VAL 149 N 0.39 1.28 -0.85 2.81 2.07 -1.24 0.27 116.25 120.97 3ha4 h VAL 149 Ca 0.45 -0.97 0.12 0.00 0.82 0.00 0.00 66.70 67.12 3ha4 h VAL 149 Cb 0.76 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.97 3ha4 h VAL 149 CO -0.47 0.30 0.47 0.50 0.02 0.00 0.00 177.57 178.39 3ha4 h LYS 150 N 0.10 0.72 -0.76 1.57 3.64 0.28 -2.27 116.57 119.86 3ha4 h LYS 150 Ca 0.05 -0.04 -0.45 0.00 -1.27 0.00 0.00 60.65 58.94 3ha4 h LYS 150 Cb 0.46 -0.16 -0.25 0.00 -0.41 0.00 0.00 32.23 31.87 3ha4 h LYS 150 CO 0.02 0.48 0.29 0.66 -2.27 0.00 0.00 179.45 178.63 3ha4 n TYR 151 N -4.78 2.41 -2.68 1.91 4.01 -0.40 -4.93 117.16 112.71 3ha4 n TYR 151 Ca 0.15 -2.09 -0.05 0.00 -0.16 0.00 0.00 57.90 55.75 3ha4 n TYR 151 Cb 0.34 -0.85 -0.01 0.00 -0.31 0.00 0.00 39.34 38.52 3ha4 n TYR 151 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ha4 n GLY 152 N -1.04 -0.49 0.00 2.72 0.00 -0.85 -4.74 105.19 100.79 3ha4 n GLY 152 Ca 0.50 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.61 3ha4 n GLY 152 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ha4 n ARG 153 N -2.68 0.13 -3.77 1.61 0.63 0.91 -4.73 116.66 108.76 3ha4 n ARG 153 Ca -0.00 0.16 -0.13 0.00 -0.92 0.00 0.00 57.85 56.96 3ha4 n ARG 153 Cb 0.51 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.82 3ha4 n ARG 153 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3ha4 s VAL 154 N -2.78 0.04 -0.08 5.15 0.11 -1.20 -5.00 120.40 116.63 3ha4 s VAL 154 Ca 0.13 -0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 58.82 3ha4 s VAL 154 Cb 0.12 -0.53 0.03 0.00 -1.53 0.00 0.00 36.38 34.47 3ha4 s VAL 154 CO 0.29 -0.16 0.20 -0.94 -3.33 0.00 0.00 175.10 171.16 3ha4 s SER 155 N -0.72 -0.21 -0.29 3.54 1.04 -1.26 -4.78 113.70 111.02 3ha4 s SER 155 Ca -0.08 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.60 3ha4 s SER 155 Cb -0.04 0.38 0.16 0.00 0.10 0.00 0.00 66.02 66.61 3ha4 s SER 155 CO 0.02 -0.10 1.02 -0.62 0.98 0.00 0.00 173.24 174.54 3ha4 s ASP 156 N 0.49 -0.44 0.55 7.02 2.15 -1.26 -4.95 116.67 120.23 3ha4 s ASP 156 Ca -0.03 0.70 0.37 0.00 0.43 0.00 0.00 52.55 54.02 3ha4 s ASP 156 Cb -0.05 1.21 1.95 0.00 -0.30 0.00 0.00 42.92 45.73 3ha4 s ASP 156 CO -0.02 -0.11 2.13 -0.65 -0.17 0.00 0.00 175.17 176.34 3ha4 h PRO 157 N 6.04 0.00 -6.22 4.34 0.11 -1.98 -3.44 132.00 130.85 3ha4 h PRO 157 Ca -0.27 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.29 3ha4 h PRO 157 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3ha4 h PRO 157 CO 0.19 0.00 0.25 -0.80 -0.21 0.00 0.00 178.00 177.44 3ha4 s ASN 158 N -4.88 7.18 0.00 -2.05 0.01 -1.26 -4.88 114.94 109.06 3ha4 s ASN 158 Ca -0.03 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 3ha4 s ASN 158 Cb 0.11 -2.50 0.00 0.00 0.41 0.00 0.00 41.25 39.27 3ha4 s ASN 158 CO 0.37 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.36 3ha4 n GLY 159 N 3.02 -1.74 3.78 0.66 0.00 -1.26 -3.66 105.19 105.98 3ha4 n GLY 159 Ca 0.03 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3ha4 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ha4 s GLY 160 N 0.00 2.49 0.29 -0.02 0.00 -1.26 -5.00 107.32 103.82 3ha4 s GLY 160 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 44.72 45.50 3ha4 s GLY 160 CO 0.00 1.07 0.34 0.50 0.00 0.00 0.00 173.10 175.00 3ha4 s ARG 161 N -3.50 3.05 0.08 2.90 1.81 -1.26 -4.55 118.95 117.47 3ha4 s ARG 161 Ca 0.70 -1.03 0.07 0.00 -1.72 0.00 0.00 55.73 53.75 3ha4 s ARG 161 Cb -0.22 -2.69 -0.04 0.00 -0.45 0.00 0.00 34.95 31.55 3ha4 s ARG 161 CO 0.30 0.24 -0.12 0.08 -0.68 0.00 0.00 175.30 175.12 3ha4 s VAL 162 N -2.15 3.25 0.00 3.52 1.01 -1.26 -4.97 120.40 119.80 3ha4 s VAL 162 Ca 0.39 -1.20 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3ha4 s VAL 162 Cb -0.08 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.83 3ha4 s VAL 162 CO 0.28 0.20 0.00 -0.46 0.00 0.00 0.00 175.10 175.12 3ha4 n ASN 163 N 1.01 0.00 -0.14 3.32 0.23 -1.26 -5.01 115.26 113.40 3ha4 n ASN 163 Ca -0.14 -0.98 -0.11 0.00 -0.53 0.00 0.00 54.58 52.81 3ha4 n ASN 163 Cb 0.52 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.21 3ha4 n ASN 163 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3ha4 h LYS 164 N 0.00 0.85 -0.28 -3.83 3.64 -1.99 0.39 116.57 115.35 3ha4 h LYS 164 Ca 0.00 -0.36 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3ha4 h LYS 164 Cb 0.00 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3ha4 h LYS 164 CO 0.00 0.99 0.17 -0.44 -2.27 0.00 0.00 179.45 177.91 3ha4 h ASP 165 N 0.68 0.33 -0.58 4.20 3.32 -2.00 -1.73 116.42 120.65 3ha4 h ASP 165 Ca 0.10 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3ha4 h ASP 165 Cb 0.71 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3ha4 h ASP 165 CO 0.05 0.28 0.23 0.58 -1.72 0.00 0.00 179.24 178.66 3ha4 h VAL 166 N 0.36 1.23 -0.74 -1.35 2.07 -1.92 -2.59 116.25 113.30 3ha4 h VAL 166 Ca 0.10 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3ha4 h VAL 166 Cb -0.00 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3ha4 h VAL 166 CO -0.02 0.27 0.44 -0.08 0.02 0.00 0.00 177.57 178.20 3ha4 h GLU 167 N 0.79 1.01 -0.28 1.57 4.81 -0.63 -0.31 114.58 121.55 3ha4 h GLU 167 Ca 0.19 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3ha4 h GLU 167 Cb 0.20 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3ha4 h GLU 167 CO -0.02 0.71 -0.06 0.93 -0.73 0.00 0.00 179.01 179.84 3ha4 h GLU 168 N 1.02 0.54 0.00 1.92 5.08 -1.09 -1.59 114.58 120.46 3ha4 h GLU 168 Ca 0.27 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3ha4 h GLU 168 Cb -0.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3ha4 h GLU 168 CO -0.05 0.74 -0.13 -0.84 -1.00 0.00 0.00 179.01 177.73 3ha4 h ILE 169 N 0.29 0.40 -0.34 3.13 3.07 -1.07 0.15 117.51 123.14 3ha4 h ILE 169 Ca 0.07 -0.73 -0.12 0.00 1.55 0.00 0.00 64.86 65.63 3ha4 h ILE 169 Cb 0.54 1.53 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 3ha4 h ILE 169 CO 0.03 0.13 -0.29 0.40 -1.05 0.00 0.00 178.15 177.37 3ha4 h ILE 170 N 0.00 1.28 -0.22 0.16 2.04 -0.84 -2.39 117.51 117.54 3ha4 h ILE 170 Ca -0.00 -1.41 -0.16 0.00 1.00 0.00 0.00 64.86 64.29 3ha4 h ILE 170 Cb 0.52 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3ha4 h ILE 170 CO 0.02 0.46 -0.50 0.28 0.00 0.00 0.00 178.15 178.41 3ha4 h SER 171 N 0.61 0.67 -0.50 1.72 0.02 0.20 0.53 113.55 116.81 3ha4 h SER 171 Ca 0.08 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3ha4 h SER 171 Cb 0.79 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3ha4 h SER 171 CO 0.07 1.05 0.32 0.24 -1.14 0.00 0.00 176.83 177.37 3ha4 h MET 172 N 0.48 0.66 -0.35 3.45 2.86 -0.82 -0.66 114.93 120.56 3ha4 h MET 172 Ca 0.02 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 3ha4 h MET 172 Cb 1.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3ha4 h MET 172 CO 0.10 0.45 0.03 0.00 1.06 0.00 0.00 176.91 178.55 3ha4 h ALA 173 N 1.17 0.46 -0.86 6.32 0.00 -1.04 -0.76 119.26 124.56 3ha4 h ALA 173 Ca 0.18 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ha4 h ALA 173 Cb -0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 3ha4 h ALA 173 CO -0.04 0.19 0.52 0.28 0.00 0.00 0.00 179.25 180.20 3ha4 h VAL 174 N 0.41 0.98 -0.06 0.00 2.07 -0.68 0.32 116.25 119.29 3ha4 h VAL 174 Ca 0.10 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3ha4 h VAL 174 Cb 0.40 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3ha4 h VAL 174 CO 0.01 0.16 0.03 -0.78 0.02 0.00 0.00 177.57 177.02 3ha4 h ASP 175 N 0.90 0.08 -0.27 0.57 3.58 -0.79 -1.09 116.42 119.39 3ha4 h ASP 175 Ca 0.39 -0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.77 3ha4 h ASP 175 Cb 0.27 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3ha4 h ASP 175 CO -0.21 0.16 0.09 0.44 -2.88 0.00 0.00 179.24 176.84 3ha4 h ASP 176 N -0.01 0.10 -0.57 2.28 3.32 -0.13 -0.45 116.42 120.95 3ha4 h ASP 176 Ca 0.02 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.13 3ha4 h ASP 176 Cb 0.10 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3ha4 h ASP 176 CO -0.00 0.09 0.38 -0.07 -1.72 0.00 0.00 179.24 177.92 3ha4 h LEU 177 N 0.21 0.59 -0.39 1.55 -0.00 -0.22 -2.24 115.31 114.81 3ha4 h LEU 177 Ca 0.12 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.88 57.82 3ha4 h LEU 177 Cb 0.09 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.59 3ha4 h LEU 177 CO -0.13 0.41 -0.80 -0.33 -0.00 0.00 0.00 178.44 177.59 3ha4 h GLU 178 N 0.69 0.00 -0.70 1.13 5.08 -0.26 -2.63 114.58 117.89 3ha4 h GLU 178 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3ha4 h GLU 178 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ha4 h GLU 178 CO -0.06 0.80 0.00 0.09 -1.00 0.00 0.00 179.01 178.85 3ha4 n ASN 179 N -3.58 3.47 -4.68 1.42 3.02 -0.27 -4.88 115.26 109.76 3ha4 n ASN 179 Ca -0.01 -2.44 -0.37 0.00 -0.03 0.00 0.00 54.58 51.73 3ha4 n ASN 179 Cb 0.77 -0.55 -0.08 0.00 -0.61 0.00 0.00 39.78 39.32 3ha4 n ASN 179 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3ha4 s MET 180 N -1.91 4.16 -0.01 3.52 1.75 -0.95 -5.01 119.30 120.85 3ha4 s MET 180 Ca 0.31 0.07 -0.24 0.00 -1.25 0.00 0.00 55.69 54.58 3ha4 s MET 180 Cb 0.22 -3.52 -0.17 0.00 2.84 0.00 0.00 34.83 34.20 3ha4 s MET 180 CO 0.11 0.03 1.16 0.38 -0.65 0.00 0.00 175.02 176.05 3ha4 h ASP 181 N 7.30 -0.21 0.00 1.11 3.04 -1.90 -3.48 116.42 122.28 3ha4 h ASP 181 Ca -0.37 -0.29 0.00 0.00 -3.24 0.00 0.00 57.03 53.13 3ha4 h ASP 181 Cb 1.16 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3ha4 h ASP 181 CO 0.71 0.22 0.00 0.18 -2.04 0.00 0.00 179.24 178.31 3ha4 n LEU 182 N -5.01 0.00 0.00 0.15 4.32 -1.26 -5.01 117.00 110.19 3ha4 n LEU 182 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 3ha4 n LEU 182 Cb 0.25 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3ha4 n LEU 182 CO 0.30 0.00 0.00 -0.46 -1.22 0.00 0.00 177.39 176.01