#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha4 h ARG 66 N 0.00 0.00 -0.01 -1.09 3.08 -1.99 -3.27 114.38 111.10 3ha4 h ARG 66 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ha4 h ARG 66 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ha4 h ARG 66 CO 0.00 0.30 -0.03 1.58 -1.07 0.00 0.00 179.97 180.74 3ha4 n HIS 67 N -3.16 0.00 0.37 3.04 -0.00 -1.26 -3.17 115.22 111.04 3ha4 n HIS 67 Ca 0.03 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.24 3ha4 n HIS 67 Cb 0.66 -0.04 -0.04 0.00 -0.12 0.00 0.00 29.99 30.45 3ha4 n HIS 67 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3ha4 n ASN 68 N -0.50 0.52 -4.63 0.26 4.13 -1.23 -4.98 115.26 108.83 3ha4 n ASN 68 Ca 0.19 -0.76 -0.51 0.00 1.68 0.00 0.00 54.58 55.18 3ha4 n ASN 68 Cb 0.25 0.89 -0.06 0.00 -1.54 0.00 0.00 39.78 39.33 3ha4 n ASN 68 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3ha4 n ASP 69 N -1.01 2.11 0.16 6.41 -0.08 -1.19 -4.85 116.55 118.10 3ha4 n ASP 69 Ca 0.02 1.10 0.13 0.00 -1.51 0.00 0.00 54.79 54.53 3ha4 n ASP 69 Cb 0.13 -1.24 0.51 0.00 2.34 0.00 0.00 41.12 42.86 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 5.39 0.00 -0.60 -0.67 0.11 -1.93 -3.11 132.00 131.20 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 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3ha4 h PRO 70 CO 0.83 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 179.16 3ha4 n ARG 71 N -2.43 2.72 -2.60 1.05 5.12 -1.26 -4.89 116.66 114.37 3ha4 n ARG 71 Ca 0.02 -2.45 -0.43 0.00 -1.93 0.00 0.00 57.85 53.06 3ha4 n ARG 71 Cb 0.28 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 3ha4 n ARG 71 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3ha4 s ARG 72 N -1.04 4.27 0.00 5.56 3.52 -1.18 -5.01 118.95 125.08 3ha4 s ARG 72 Ca 0.41 1.45 -0.30 0.00 -0.13 0.00 0.00 55.73 57.15 3ha4 s ARG 72 Cb 0.22 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3ha4 s ARG 72 CO 0.28 -0.61 1.16 -1.25 -0.81 0.00 0.00 175.30 174.07 3ha4 s PRO 73 N 3.13 4.42 0.34 5.12 0.05 -1.26 -4.96 135.00 141.84 3ha4 s PRO 73 Ca 0.47 1.67 -0.29 0.00 0.05 0.00 0.00 61.00 62.91 3ha4 s PRO 73 Cb -0.17 -3.45 -0.12 0.00 0.05 0.00 0.00 34.50 30.82 3ha4 s PRO 73 CO 0.10 -0.29 1.46 -2.30 0.05 0.00 0.00 177.00 176.02 3ha4 n PRO 74 N 4.41 2.52 -0.33 0.56 -0.02 -1.26 -4.68 135.00 136.21 3ha4 n PRO 74 Ca 0.09 0.89 0.10 0.00 -2.02 0.00 0.00 63.50 62.56 3ha4 n PRO 74 Cb 0.47 -2.59 0.28 0.00 -0.02 0.00 0.00 33.50 31.64 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 3.32 0.92 -0.82 6.00 7.01 -1.98 -0.70 115.95 129.70 3ha4 h TRP 75 Ca -0.49 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.52 3ha4 h TRP 75 Cb 1.25 -0.27 -0.04 0.00 -2.10 0.00 0.00 29.16 28.01 3ha4 h TRP 75 CO 0.54 0.20 0.39 -1.35 -2.79 0.00 0.00 178.44 175.43 3ha4 h PRO 76 N 0.69 1.19 -0.49 2.65 0.11 -1.99 0.36 132.00 134.52 3ha4 h PRO 76 Ca 0.53 -0.18 -0.12 0.00 0.11 0.00 0.00 66.00 66.34 3ha4 h PRO 76 Cb 0.80 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3ha4 h PRO 76 CO -0.38 0.92 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.09 3ha4 h LEU 77 N 1.17 0.97 -0.49 2.35 4.07 -1.54 -0.38 115.31 121.46 3ha4 h LEU 77 Ca 0.28 -0.34 -0.14 0.00 0.08 0.00 0.00 57.88 57.76 3ha4 h LEU 77 Cb 0.13 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3ha4 h LEU 77 CO -0.03 1.12 -0.26 0.25 -1.08 0.00 0.00 178.44 178.44 3ha4 h LEU 78 N 0.84 1.00 -0.87 1.67 5.85 -0.74 -1.93 115.31 121.13 3ha4 h LEU 78 Ca 0.12 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3ha4 h LEU 78 Cb 0.72 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3ha4 h LEU 78 CO 0.06 1.19 0.37 -0.74 -0.34 0.00 0.00 178.44 178.98 3ha4 h HIS 79 N 0.82 1.20 -0.47 1.25 2.76 -0.15 -1.85 115.15 118.72 3ha4 h HIS 79 Ca 0.10 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3ha4 h HIS 79 Cb 0.83 -0.37 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3ha4 h HIS 79 CO 0.05 0.88 0.19 0.37 -1.30 0.00 0.00 177.93 178.13 3ha4 h GLN 80 N 1.18 0.69 -0.66 5.26 4.15 -0.82 -1.53 115.11 123.39 3ha4 h GLN 80 Ca 0.28 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 3ha4 h GLN 80 Cb 0.15 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3ha4 h GLN 80 CO -0.03 0.62 0.37 0.00 -1.93 0.00 0.00 178.83 177.86 3ha4 h ARG 81 N 0.61 0.91 -0.49 1.69 -0.00 -1.08 -2.51 114.38 113.51 3ha4 h ARG 81 Ca 0.16 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.98 59.48 3ha4 h ARG 81 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 3ha4 h ARG 81 CO -0.01 0.67 0.08 0.28 0.00 0.00 0.00 179.97 180.99 3ha4 h VAL 82 N 0.90 1.22 0.00 2.04 2.07 -0.96 -1.81 116.25 119.71 3ha4 h VAL 82 Ca 0.23 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3ha4 h VAL 82 Cb 0.02 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3ha4 h VAL 82 CO -0.04 0.30 0.00 0.58 0.02 0.00 0.00 177.57 178.43 3ha4 h VAL 83 N 0.73 0.00 0.05 2.57 2.07 -0.84 -2.51 116.25 118.32 3ha4 h VAL 83 Ca 0.16 -0.30 -0.23 0.00 0.82 0.00 0.00 66.70 67.14 3ha4 h VAL 83 Cb 0.33 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3ha4 h VAL 83 CO 0.00 0.00 -1.06 -0.07 0.02 0.00 0.00 177.57 176.47 3ha4 h LEU 84 N 0.00 0.23 -0.80 2.57 3.38 -1.14 -3.37 115.31 116.17 3ha4 h LEU 84 Ca 0.00 -0.23 0.14 0.00 0.09 0.00 0.00 57.88 57.88 3ha4 h LEU 84 Cb 0.33 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3ha4 h LEU 84 CO 0.00 1.13 0.38 -0.07 0.09 0.00 0.00 178.44 179.98 3ha4 h LEU 85 N 0.06 0.44 -1.71 1.67 4.07 -1.47 -1.91 115.31 116.46 3ha4 h LEU 85 Ca -0.07 0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 3ha4 h LEU 85 Cb 1.77 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.53 3ha4 h LEU 85 CO 0.16 0.19 -0.17 0.03 -1.08 0.00 0.00 178.44 177.57 3ha4 h ARG 86 N 0.57 0.00 -0.00 1.13 3.08 -1.76 0.40 114.38 117.80 3ha4 h ARG 86 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3ha4 h ARG 86 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3ha4 h ARG 86 CO -0.36 0.17 -0.00 0.39 -1.07 0.00 0.00 179.97 179.10 3ha4 n GLU 87 N -3.75 1.04 -3.63 0.04 -0.58 -0.77 -4.85 120.64 108.15 3ha4 n GLU 87 Ca -0.02 -0.14 -0.24 0.00 -0.42 0.00 0.00 57.16 56.34 3ha4 n GLU 87 Cb 0.28 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.73 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 1.06 -0.50 2.50 0.62 0.00 0.14 -4.91 105.19 104.09 3ha4 n GLY 88 Ca 0.22 0.22 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 3ha4 n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ha4 n LYS 89 N -4.79 1.04 0.00 1.61 2.85 -0.92 -5.00 118.16 112.97 3ha4 n LYS 89 Ca -0.05 -2.74 0.00 0.00 -1.05 0.00 0.00 58.31 54.47 3ha4 n LYS 89 Cb 0.58 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.74 3ha4 n LYS 89 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3ha4 n GLY 90 N 0.13 0.32 2.25 2.58 0.00 -1.26 -4.82 105.19 104.39 3ha4 n GLY 90 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.15 2.56 0.31 4.61 0.00 -1.26 -4.98 120.51 119.59 3ha4 n ALA 91 Ca 0.00 -3.31 0.19 0.00 0.00 0.00 0.00 53.44 50.32 3ha4 n ALA 91 Cb 0.00 -0.79 0.97 0.00 0.00 0.00 0.00 19.45 19.63 3ha4 n ALA 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ha4 h PRO 92 N 4.50 0.00 0.00 0.00 0.11 -1.95 0.18 132.00 134.84 3ha4 h PRO 92 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3ha4 h PRO 92 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3ha4 h PRO 92 CO 0.43 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.64 3ha4 n GLU 93 N -3.27 0.23 -0.27 1.05 4.71 -1.26 -2.82 120.64 119.01 3ha4 n GLU 93 Ca -0.02 0.05 0.10 0.00 -0.01 0.00 0.00 57.16 57.29 3ha4 n GLU 93 Cb 0.16 -1.50 0.25 0.00 -1.01 0.00 0.00 31.44 29.34 3ha4 n GLU 93 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3ha4 n ASP 94 N -1.37 3.53 -0.38 1.62 9.92 0.62 -4.56 116.55 125.93 3ha4 n ASP 94 Ca 0.10 -1.98 -0.02 0.00 -0.53 0.00 0.00 54.79 52.36 3ha4 n ASP 94 Cb 0.24 -0.36 0.03 0.00 -0.64 0.00 0.00 41.12 40.39 3ha4 n ASP 94 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3ha4 h ILE 95 N 3.68 0.00 -0.36 0.53 2.04 -1.68 0.15 117.51 121.88 3ha4 h ILE 95 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3ha4 h ILE 95 Cb 0.91 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3ha4 h ILE 95 CO 0.00 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.33 3ha4 h ALA 96 N 1.32 0.44 -0.12 1.87 0.00 -1.80 -1.01 119.26 119.96 3ha4 h ALA 96 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ha4 h ALA 96 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ha4 h ALA 96 CO -0.98 -0.19 0.08 1.25 0.00 0.00 0.00 179.25 179.41 3ha4 h LEU 97 N 0.37 0.14 -0.53 0.00 5.85 -1.41 -0.52 115.31 119.21 3ha4 h LEU 97 Ca 0.15 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3ha4 h LEU 97 Cb 0.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3ha4 h LEU 97 CO -0.10 0.11 0.29 0.24 -0.34 0.00 0.00 178.44 178.64 3ha4 h MET 98 N 0.15 0.55 -0.73 1.25 2.86 -0.45 0.17 114.93 118.73 3ha4 h MET 98 Ca 0.04 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3ha4 h MET 98 Cb -0.01 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3ha4 h MET 98 CO -0.01 0.36 0.28 2.35 1.06 0.00 0.00 176.91 180.96 3ha4 h TRP 99 N 0.56 1.13 -0.68 -0.22 -0.00 -1.10 -1.88 115.95 113.76 3ha4 h TRP 99 Ca 0.23 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.89 58.98 3ha4 h TRP 99 Cb 0.10 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 28.90 3ha4 h TRP 99 CO -0.09 0.87 0.21 0.93 -0.00 0.00 0.00 178.44 180.36 3ha4 h GLU 100 N 1.06 1.06 -0.81 2.65 4.39 -0.02 -1.81 114.58 121.10 3ha4 h GLU 100 Ca 0.24 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3ha4 h GLU 100 Cb 0.23 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 3ha4 h GLU 100 CO -0.02 0.92 0.42 1.96 -1.16 0.00 0.00 179.01 181.13 3ha4 h GLN 101 N 1.00 1.15 -0.26 2.33 4.20 -0.43 -0.18 115.11 122.92 3ha4 h GLN 101 Ca 0.22 -0.15 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 3ha4 h GLN 101 Cb 0.30 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3ha4 h GLN 101 CO -0.01 0.86 -0.38 0.00 -0.67 0.00 0.00 178.83 178.63 3ha4 h THR 102 N 1.15 1.29 -0.12 -0.54 1.03 -1.07 0.42 112.91 115.08 3ha4 h THR 102 Ca 0.28 -1.54 -0.04 0.00 -0.01 0.00 0.00 66.41 65.10 3ha4 h THR 102 Cb 0.07 1.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.65 3ha4 h THR 102 CO -0.04 0.49 -0.08 0.11 -0.01 0.00 0.00 175.52 175.99 3ha4 h LYS 103 N 0.51 0.26 0.16 0.00 1.57 -1.06 -1.39 116.57 116.62 3ha4 h LYS 103 Ca 0.05 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3ha4 h LYS 103 Cb 0.89 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 3ha4 h LYS 103 CO 0.08 0.64 -0.08 1.25 -0.57 0.00 0.00 179.45 180.77 3ha4 h HIS 104 N -0.11 -0.20 0.00 -1.35 2.76 -1.02 -3.23 115.15 112.00 3ha4 h HIS 104 Ca 0.02 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 3ha4 h HIS 104 Cb 0.57 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 3ha4 h HIS 104 CO 0.08 0.14 -1.39 0.66 -1.30 0.00 0.00 177.93 176.12 3ha4 n TYR 105 N -5.03 0.69 -3.14 5.26 4.01 0.15 -4.59 117.16 114.50 3ha4 n TYR 105 Ca -0.09 0.21 -0.18 0.00 -0.16 0.00 0.00 57.90 57.68 3ha4 n TYR 105 Cb 0.23 -0.87 -0.03 0.00 -0.31 0.00 0.00 39.34 38.36 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 -2.61 -0.28 0.27 -0.72 4.01 -0.54 -4.95 117.16 112.33 3ha4 n TYR 106 Ca -0.04 -3.57 0.14 0.00 -0.16 0.00 0.00 57.90 54.27 3ha4 n TYR 106 Cb 0.63 -0.18 0.75 0.00 -0.31 0.00 0.00 39.34 40.23 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 3.23 0.00 -0.00 -0.72 0.11 -1.53 -2.83 132.00 130.25 3ha4 h PRO 107 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3ha4 h PRO 107 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ha4 h PRO 107 CO 0.46 0.10 -0.42 0.00 -0.21 0.00 0.00 178.00 177.93 3ha4 n ALA 108 N -2.25 3.41 -1.77 -0.75 0.00 -1.26 -4.87 120.51 113.02 3ha4 n ALA 108 Ca -0.02 -0.38 -0.39 0.00 0.00 0.00 0.00 53.44 52.65 3ha4 n ALA 108 Cb 0.24 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.81 6.68 -0.03 0.00 2.15 -1.07 -4.20 116.67 117.40 3ha4 s ASP 109 Ca 0.16 2.40 0.14 0.00 0.43 0.00 0.00 52.55 55.68 3ha4 s ASP 109 Cb 0.18 -2.62 -0.21 0.00 -0.30 0.00 0.00 42.92 39.97 3ha4 s ASP 109 CO 0.64 -0.57 0.28 -2.67 -0.17 0.00 0.00 175.17 172.68 3ha4 n TRP 110 N 0.38 0.00 -0.07 -5.34 4.27 -1.26 -4.59 117.44 110.83 3ha4 n TRP 110 Ca 0.03 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.51 3ha4 n TRP 110 Cb 0.45 -0.35 -0.05 0.00 -1.36 0.00 0.00 31.31 30.00 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 0.45 -0.24 5.67 6.46 -1.92 -1.43 115.31 124.30 3ha4 h LEU 111 Ca -0.04 -0.40 -0.08 0.00 -0.12 0.00 0.00 57.88 57.24 3ha4 h LEU 111 Cb 0.76 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3ha4 h LEU 111 CO 0.00 0.76 -0.15 0.40 -0.62 0.00 0.00 178.44 178.83 3ha4 h ILE 112 N 0.15 1.31 -0.90 4.05 2.04 -1.98 -1.84 117.51 120.33 3ha4 h ILE 112 Ca 0.05 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.71 3ha4 h ILE 112 Cb 0.58 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 3ha4 h ILE 112 CO 0.03 0.39 0.57 -0.65 0.00 0.00 0.00 178.15 178.49 3ha4 h PRO 113 N 0.24 1.02 -0.28 2.37 0.11 -1.81 0.15 132.00 133.81 3ha4 h PRO 113 Ca 0.05 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 3ha4 h PRO 113 Cb 0.66 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3ha4 h PRO 113 CO 0.04 0.68 0.01 1.25 -0.21 0.00 0.00 178.00 179.77 3ha4 h LEU 114 N 1.05 0.47 -1.40 2.35 5.85 -1.25 -1.22 115.31 121.16 3ha4 h LEU 114 Ca 0.38 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ha4 h LEU 114 Cb 0.12 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3ha4 h LEU 114 CO -0.16 0.65 0.36 -0.08 -0.34 0.00 0.00 178.44 178.87 3ha4 h GLU 115 N 0.28 0.76 -0.54 1.25 4.57 -0.74 -1.58 114.58 118.58 3ha4 h GLU 115 Ca 0.08 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 3ha4 h GLU 115 Cb 0.40 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3ha4 h GLU 115 CO 0.01 0.52 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.25 3ha4 h LEU 116 N 0.78 0.95 -0.75 1.64 4.07 -0.40 -2.78 115.31 118.82 3ha4 h LEU 116 Ca 0.21 -0.28 0.13 0.00 0.08 0.00 0.00 57.88 58.02 3ha4 h LEU 116 Cb -0.06 -0.25 -0.09 0.00 1.08 0.00 0.00 40.66 41.34 3ha4 h LEU 116 CO -0.04 1.03 0.33 0.74 -1.08 0.00 0.00 178.44 179.42 3ha4 h THR 117 N 0.87 0.72 -0.50 0.22 2.02 -0.20 -0.18 112.91 115.86 3ha4 h THR 117 Ca 0.15 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3ha4 h THR 117 Cb 0.58 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3ha4 h THR 117 CO 0.03 0.09 0.27 1.56 0.37 0.00 0.00 175.52 177.84 3ha4 h GLN 118 N 0.50 0.70 -0.13 6.66 1.08 -1.30 0.19 115.11 122.81 3ha4 h GLN 118 Ca 0.40 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.56 3ha4 h GLN 118 Cb 0.56 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 3ha4 h GLN 118 CO -0.36 0.56 -0.18 0.28 -0.95 0.00 0.00 178.83 178.18 3ha4 h VAL 119 N 0.66 0.54 -0.11 -0.54 2.07 -0.84 0.34 116.25 118.38 3ha4 h VAL 119 Ca 0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.63 3ha4 h VAL 119 Cb 0.06 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3ha4 h VAL 119 CO -0.03 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.25 3ha4 h LEU 120 N -0.22 0.18 -0.33 2.57 3.38 -0.96 0.11 115.31 120.04 3ha4 h LEU 120 Ca 0.10 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 3ha4 h LEU 120 Cb 0.37 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ha4 h LEU 120 CO -0.26 0.43 -0.81 0.50 0.09 0.00 0.00 178.44 178.39 3ha4 h LYS 121 N 0.17 0.38 0.00 1.13 3.64 0.18 -3.37 116.57 118.70 3ha4 h LYS 121 Ca 0.03 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3ha4 h LYS 121 Cb 0.52 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3ha4 h LYS 121 CO 0.04 1.00 -0.36 0.66 -2.27 0.00 0.00 179.45 178.52 3ha4 n TYR 122 N -3.79 0.00 -0.99 1.91 4.01 0.11 -5.02 117.16 113.38 3ha4 n TYR 122 Ca -0.05 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.40 3ha4 n TYR 122 Cb 0.75 -0.01 0.17 0.00 -0.31 0.00 0.00 39.34 39.94 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 -1.63 2.88 0.36 7.72 0.01 0.37 -5.02 113.70 118.39 3ha4 s SER 123 Ca 0.02 1.60 -0.12 0.00 1.31 0.00 0.00 55.95 58.76 3ha4 s SER 123 Cb 0.04 -2.26 -0.08 0.00 0.21 0.00 0.00 66.02 63.94 3ha4 s SER 123 CO 0.22 -3.03 0.75 -0.94 0.41 0.00 0.00 173.24 170.65 3ha4 s SER 124 N -3.12 6.63 0.38 2.44 1.04 -1.26 -4.96 113.70 114.85 3ha4 s SER 124 Ca 0.65 1.19 0.09 0.00 0.48 0.00 0.00 55.95 58.36 3ha4 s SER 124 Cb -0.20 -2.34 0.84 0.00 0.10 0.00 0.00 66.02 64.41 3ha4 s SER 124 CO 0.59 -0.31 1.96 1.23 0.98 0.00 0.00 173.24 177.69 3ha4 h GLY 125 N 1.73 0.87 0.53 7.32 0.00 -1.98 -2.62 103.07 108.92 3ha4 h GLY 125 Ca -0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 3ha4 h GLY 125 CO 0.65 0.17 -0.30 0.50 0.00 0.00 0.00 176.54 177.56 3ha4 h LYS 126 N 0.64 -0.74 -0.96 4.80 1.57 -1.99 -2.08 116.57 117.81 3ha4 h LYS 126 Ca 0.31 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.28 3ha4 h LYS 126 Cb 0.39 0.17 -0.15 0.00 0.08 0.00 0.00 32.23 32.72 3ha4 h LYS 126 CO -0.11 -0.49 -0.43 -0.92 -0.57 0.00 0.00 179.45 176.93 3ha4 h TYR 127 N -0.77 -1.28 0.35 -1.35 3.20 -1.90 0.71 116.97 115.93 3ha4 h TYR 127 Ca -0.07 0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3ha4 h TYR 127 Cb 0.61 0.70 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3ha4 h TYR 127 CO 0.02 -0.40 -0.17 -0.07 -1.64 0.00 0.00 178.16 175.90 3ha4 h LEU 128 N -0.02 -0.40 -1.17 2.82 4.07 -1.46 -1.18 115.31 117.98 3ha4 h LEU 128 Ca 0.29 -0.12 0.14 0.00 0.08 0.00 0.00 57.88 58.27 3ha4 h LEU 128 Cb 0.55 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 42.32 3ha4 h LEU 128 CO -0.95 -0.10 0.60 1.56 -1.08 0.00 0.00 178.44 178.47 3ha4 h GLN 129 N -0.70 0.79 0.77 1.13 1.08 -1.05 -0.73 115.11 116.40 3ha4 h GLN 129 Ca -0.05 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 3ha4 h GLN 129 Cb 0.49 -0.18 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3ha4 h GLN 129 CO 0.08 0.52 -0.37 1.15 -0.95 0.00 0.00 178.83 179.26 3ha4 h THR 130 N 0.81 0.00 -0.02 -0.54 2.02 -0.53 -3.38 112.91 111.27 3ha4 h THR 130 Ca 0.48 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.50 3ha4 h THR 130 Cb 0.65 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3ha4 h THR 130 CO -0.24 0.00 -0.14 -1.22 0.37 0.00 0.00 175.52 174.29 3ha4 n TYR 131 N -5.23 0.00 -4.59 3.16 4.01 -0.47 -4.84 117.16 109.21 3ha4 n TYR 131 Ca -0.13 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.37 3ha4 n TYR 131 Cb 0.41 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.27 3ha4 n TYR 131 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ha4 s VAL 132 N -2.16 1.11 0.08 -0.72 0.11 -0.29 -4.46 120.40 114.08 3ha4 s VAL 132 Ca 0.27 -0.49 -0.21 0.00 -2.93 0.00 0.00 61.98 58.62 3ha4 s VAL 132 Cb 0.20 -1.01 -0.11 0.00 -1.53 0.00 0.00 36.38 33.93 3ha4 s VAL 132 CO 0.39 0.34 1.63 0.00 -3.33 0.00 0.00 175.10 174.13 3ha4 h ALA 133 N 6.78 0.16 -3.56 1.54 0.00 -1.85 -3.38 119.26 118.96 3ha4 h ALA 133 Ca -0.32 -0.09 -0.62 0.00 0.00 0.00 0.00 54.91 53.89 3ha4 h ALA 133 Cb 1.18 -0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.53 3ha4 h ALA 133 CO 0.48 -0.26 -0.77 0.34 0.00 0.00 0.00 179.25 179.04 3ha4 s ASP 134 N -5.50 4.09 0.14 0.00 -1.08 -1.26 -4.99 116.67 108.07 3ha4 s ASP 134 Ca -0.14 -1.48 -0.13 0.00 -0.52 0.00 0.00 52.55 50.29 3ha4 s ASP 134 Cb 0.06 -1.22 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 3ha4 s ASP 134 CO 0.69 -0.30 1.58 -0.65 0.52 0.00 0.00 175.17 177.01 3ha4 h PRO 135 N 7.90 0.84 -0.02 4.34 0.11 -1.81 -2.89 132.00 140.47 3ha4 h PRO 135 Ca -0.14 -0.29 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 3ha4 h PRO 135 Cb 1.05 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3ha4 h PRO 135 CO 0.45 0.91 -0.55 0.22 -0.21 0.00 0.00 178.00 178.81 3ha4 h ASP 136 N 0.69 0.06 -0.31 -2.05 3.58 -1.95 -2.32 116.42 114.11 3ha4 h ASP 136 Ca 0.13 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.44 3ha4 h ASP 136 Cb 0.55 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3ha4 h ASP 136 CO 0.03 0.60 -0.22 -0.08 -2.88 0.00 0.00 179.24 176.69 3ha4 h GLU 137 N 0.04 0.69 0.11 0.28 4.57 -1.94 -1.68 114.58 116.66 3ha4 h GLU 137 Ca -0.00 -0.34 0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3ha4 h GLU 137 Cb 0.99 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 3ha4 h GLU 137 CO 0.07 0.94 -0.14 1.98 -1.18 0.00 0.00 179.01 180.69 3ha4 h MET 138 N 0.45 -0.29 -0.83 1.92 4.05 -1.35 0.10 114.93 118.99 3ha4 h MET 138 Ca 0.06 0.02 0.20 0.00 -0.28 0.00 0.00 59.70 59.70 3ha4 h MET 138 Cb 0.77 0.06 -0.15 0.00 -0.80 0.00 0.00 31.60 31.49 3ha4 h MET 138 CO 0.06 -0.19 -0.01 -0.09 0.23 0.00 0.00 176.91 176.91 3ha4 h ARG 139 N -0.30 0.07 -0.67 0.39 2.43 -1.40 0.69 114.38 115.59 3ha4 h ARG 139 Ca 0.01 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3ha4 h ARG 139 Cb 0.30 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3ha4 h ARG 139 CO -0.06 0.05 0.13 0.87 -1.51 0.00 0.00 179.97 179.45 3ha4 h LYS 140 N 0.08 1.10 -0.46 0.20 1.57 -0.26 -1.14 116.57 117.66 3ha4 h LYS 140 Ca 0.46 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 3ha4 h LYS 140 Cb 0.84 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3ha4 h LYS 140 CO -0.75 1.00 -0.14 0.93 -0.57 0.00 0.00 179.45 179.91 3ha4 h GLU 141 N 1.03 0.90 -0.72 3.15 5.08 0.52 -1.27 114.58 123.26 3ha4 h GLU 141 Ca 0.21 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3ha4 h GLU 141 Cb 0.41 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3ha4 h GLU 141 CO 0.01 1.01 0.25 0.28 -1.00 0.00 0.00 179.01 179.56 3ha4 h VAL 142 N 0.74 1.26 -0.47 3.13 2.07 -0.78 -1.43 116.25 120.77 3ha4 h VAL 142 Ca 0.11 -0.86 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3ha4 h VAL 142 Cb 0.70 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3ha4 h VAL 142 CO 0.05 0.34 0.19 0.25 0.02 0.00 0.00 177.57 178.42 3ha4 h LEU 143 N 1.06 0.22 -0.40 2.57 5.85 -1.07 -2.22 115.31 121.31 3ha4 h LEU 143 Ca 0.24 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3ha4 h LEU 143 Cb 0.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3ha4 h LEU 143 CO -0.01 0.16 0.09 -0.03 -0.34 0.00 0.00 178.44 178.30 3ha4 h MET 144 N 0.37 0.65 -0.49 1.25 4.05 -0.57 -1.47 114.93 118.72 3ha4 h MET 144 Ca 0.22 -0.16 0.01 0.00 -0.28 0.00 0.00 59.70 59.48 3ha4 h MET 144 Cb 0.20 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3ha4 h MET 144 CO -0.21 0.68 0.33 0.37 0.23 0.00 0.00 176.91 178.31 3ha4 h GLN 145 N 0.51 0.64 -0.79 0.39 4.15 -1.20 -0.05 115.11 118.76 3ha4 h GLN 145 Ca 0.12 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 3ha4 h GLN 145 Cb 0.33 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 3ha4 h GLN 145 CO 0.00 0.43 0.46 -0.07 -1.93 0.00 0.00 178.83 177.72 3ha4 h LEU 146 N 0.66 0.97 -0.65 -2.39 3.38 -1.23 -0.39 115.31 115.67 3ha4 h LEU 146 Ca 0.18 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3ha4 h LEU 146 Cb -0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3ha4 h LEU 146 CO -0.04 0.76 0.10 -0.07 0.09 0.00 0.00 178.44 179.28 3ha4 h LEU 147 N 1.09 1.04 -0.58 1.67 3.38 -1.09 0.68 115.31 121.50 3ha4 h LEU 147 Ca 0.28 -0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3ha4 h LEU 147 Cb -0.01 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.38 3ha4 h LEU 147 CO -0.05 1.04 0.10 0.78 0.09 0.00 0.00 178.44 180.40 3ha4 h ASN 148 N 0.99 -0.04 -0.10 -0.43 2.35 -0.45 -0.86 115.58 117.04 3ha4 h ASN 148 Ca 0.20 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 3ha4 h ASN 148 Cb 0.45 0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3ha4 h ASN 148 CO 0.01 -0.01 -0.02 0.58 -1.65 0.00 0.00 177.43 176.35 3ha4 h VAL 149 N 0.23 1.28 -0.58 2.81 2.07 -0.65 0.26 116.25 121.67 3ha4 h VAL 149 Ca 0.30 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 3ha4 h VAL 149 Cb 0.45 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3ha4 h VAL 149 CO -0.41 0.26 0.35 0.50 0.02 0.00 0.00 177.57 178.29 3ha4 h LYS 150 N -0.12 0.79 -0.78 1.57 3.64 -0.59 -2.25 116.57 118.83 3ha4 h LYS 150 Ca 0.03 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 3ha4 h LYS 150 Cb 0.41 -0.17 -0.09 0.00 -0.41 0.00 0.00 32.23 31.97 3ha4 h LYS 150 CO 0.01 0.57 0.19 0.66 -2.27 0.00 0.00 179.45 178.61 3ha4 n TYR 151 N -4.63 1.99 -2.79 1.91 4.01 -0.35 -4.94 117.16 112.35 3ha4 n TYR 151 Ca 0.04 -0.95 -0.21 0.00 -0.16 0.00 0.00 57.90 56.62 3ha4 n TYR 151 Cb 0.06 -0.58 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 0.02 -0.51 0.10 2.72 0.00 -0.85 -4.84 105.19 101.84 3ha4 n GLY 152 Ca 0.32 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.54 3ha4 n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ha4 n ARG 153 N -3.53 0.47 -4.14 1.61 1.74 0.85 -4.78 116.66 108.87 3ha4 n ARG 153 Ca -0.15 -0.20 -0.12 0.00 -0.77 0.00 0.00 57.85 56.61 3ha4 n ARG 153 Cb 0.63 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.47 3ha4 n ARG 153 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3ha4 s VAL 154 N -2.66 0.72 0.22 1.55 -7.23 -1.18 -4.99 120.40 106.82 3ha4 s VAL 154 Ca 0.22 -1.63 0.11 0.00 -1.81 0.00 0.00 61.98 58.87 3ha4 s VAL 154 Cb 0.19 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 3ha4 s VAL 154 CO 0.54 -0.66 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.03 3ha4 s SER 155 N -2.50 3.62 -1.07 4.85 0.01 -1.26 -4.81 113.70 112.53 3ha4 s SER 155 Ca 0.04 -0.86 -0.06 0.00 1.31 0.00 0.00 55.95 56.38 3ha4 s SER 155 Cb -0.01 -0.35 -0.06 0.00 0.21 0.00 0.00 66.02 65.82 3ha4 s SER 155 CO -0.02 0.09 0.92 0.47 0.41 0.00 0.00 173.24 175.11 3ha4 n ASP 156 N -0.03 -6.06 -4.74 2.44 8.00 -1.26 -4.75 116.55 110.15 3ha4 n ASP 156 Ca -0.10 -0.72 -0.42 0.00 0.71 0.00 0.00 54.79 54.26 3ha4 n ASP 156 Cb 0.57 -5.09 -0.02 0.00 -0.02 0.00 0.00 41.12 36.56 3ha4 n ASP 156 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3ha4 s PRO 157 N -4.60 4.16 0.32 -0.24 0.02 -1.26 -4.85 135.00 128.55 3ha4 s PRO 157 Ca 0.41 2.50 0.01 0.00 0.02 0.00 0.00 61.00 63.94 3ha4 s PRO 157 Cb -0.06 -3.06 0.54 0.00 0.02 0.00 0.00 34.50 31.95 3ha4 s PRO 157 CO 0.75 -0.59 1.96 -0.91 -0.33 0.00 0.00 177.00 177.87 3ha4 h ASN 158 N 5.19 0.86 0.00 2.53 2.35 -1.92 -1.75 115.58 122.84 3ha4 h ASN 158 Ca -0.46 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3ha4 h ASN 158 Cb 1.22 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.39 3ha4 h ASN 158 CO 0.81 0.59 0.00 0.61 -1.65 0.00 0.00 177.43 177.79 3ha4 n GLY 159 N -1.42 -0.00 0.00 2.83 0.00 -1.26 -4.96 105.19 100.38 3ha4 n GLY 159 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ha4 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ha4 n GLY 160 N 0.20 0.39 3.74 -0.02 0.00 -0.66 -4.95 105.19 103.89 3ha4 n GLY 160 Ca 0.00 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 3ha4 n GLY 160 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ha4 s ARG 161 N -2.32 2.90 -0.54 1.61 3.52 -1.26 -4.66 118.95 118.20 3ha4 s ARG 161 Ca 0.00 2.19 -0.21 0.00 -0.13 0.00 0.00 55.73 57.58 3ha4 s ARG 161 Cb 0.00 -2.10 0.05 0.00 -1.56 0.00 0.00 34.95 31.34 3ha4 s ARG 161 CO 0.00 -1.36 0.78 0.08 -0.81 0.00 0.00 175.30 173.99 3ha4 s VAL 162 N -1.33 4.64 0.00 7.11 1.01 -1.26 -4.88 120.40 125.69 3ha4 s VAL 162 Ca 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3ha4 s VAL 162 Cb -0.40 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.55 3ha4 s VAL 162 CO 0.45 -0.99 0.00 -0.46 0.00 0.00 0.00 175.10 174.10 3ha4 n ASN 163 N 6.81 0.00 -0.21 3.32 0.23 -1.26 -4.79 115.26 119.36 3ha4 n ASN 163 Ca -0.03 -0.84 -0.07 0.00 -0.53 0.00 0.00 54.58 53.11 3ha4 n ASN 163 Cb 0.46 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.80 -0.72 -3.83 3.64 -1.99 -1.46 116.57 113.02 3ha4 h LYS 164 Ca 0.00 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3ha4 h LYS 164 Cb 0.00 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3ha4 h LYS 164 CO 0.00 0.60 0.19 -0.44 -2.27 0.00 0.00 179.45 177.53 3ha4 h ASP 165 N 0.79 1.07 -0.36 4.20 3.32 -1.98 -1.75 116.42 121.71 3ha4 h ASP 165 Ca 0.21 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 3ha4 h ASP 165 Cb 0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3ha4 h ASP 165 CO -0.04 1.02 -0.01 0.58 -1.72 0.00 0.00 179.24 179.07 3ha4 h VAL 166 N 1.08 1.26 -0.79 -1.35 2.07 -1.86 -1.65 116.25 115.01 3ha4 h VAL 166 Ca 0.23 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.77 3ha4 h VAL 166 Cb 0.35 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3ha4 h VAL 166 CO -0.00 0.33 0.52 -0.08 0.02 0.00 0.00 177.57 178.36 3ha4 h GLU 167 N 0.46 0.94 -0.44 1.57 4.81 -1.09 0.24 114.58 121.08 3ha4 h GLU 167 Ca 0.10 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3ha4 h GLU 167 Cb 0.48 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3ha4 h GLU 167 CO 0.02 0.62 0.06 0.93 -0.73 0.00 0.00 179.01 179.91 3ha4 h GLU 168 N 0.97 0.73 -0.10 1.92 5.08 -1.03 -0.51 114.58 121.64 3ha4 h GLU 168 Ca 0.31 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 3ha4 h GLU 168 Cb 0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ha4 h GLU 168 CO -0.09 0.77 -0.56 0.97 -1.00 0.00 0.00 179.01 179.10 3ha4 h ILE 169 N 0.59 1.36 -0.57 3.13 2.10 -0.61 -1.82 117.51 121.69 3ha4 h ILE 169 Ca 0.13 -1.87 -0.02 0.00 1.08 0.00 0.00 64.86 64.18 3ha4 h ILE 169 Cb 0.40 1.90 -0.03 0.00 -1.09 0.00 0.00 36.82 38.01 3ha4 h ILE 169 CO 0.01 0.56 0.27 0.40 -1.08 0.00 0.00 178.15 178.31 3ha4 h ILE 170 N 0.23 1.21 -0.98 2.19 2.04 -0.90 -2.40 117.51 118.89 3ha4 h ILE 170 Ca 0.00 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3ha4 h ILE 170 Cb 1.05 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 3ha4 h ILE 170 CO 0.09 0.24 0.64 0.28 0.00 0.00 0.00 178.15 179.41 3ha4 h SER 171 N 0.78 1.07 -0.38 1.72 0.02 -0.53 0.14 113.55 116.38 3ha4 h SER 171 Ca 0.20 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 3ha4 h SER 171 Cb 0.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3ha4 h SER 171 CO -0.02 0.73 -0.23 -0.03 -1.14 0.00 0.00 176.83 176.14 3ha4 h MET 172 N 1.24 0.82 -0.63 3.45 1.85 -1.26 -0.24 114.93 120.17 3ha4 h MET 172 Ca 0.39 -0.38 -0.03 0.00 -0.61 0.00 0.00 59.70 59.07 3ha4 h MET 172 Cb 0.01 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.00 3ha4 h MET 172 CO -0.12 1.01 0.27 0.00 -0.40 0.00 0.00 176.91 177.68 3ha4 h ALA 173 N 0.79 0.82 0.13 0.39 0.00 -0.92 -0.45 119.26 120.02 3ha4 h ALA 173 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ha4 h ALA 173 Cb 0.80 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3ha4 h ALA 173 CO 0.06 0.41 -0.31 0.28 0.00 0.00 0.00 179.25 179.70 3ha4 h VAL 174 N 0.88 0.33 -0.50 0.00 2.07 -0.47 -0.06 116.25 118.50 3ha4 h VAL 174 Ca 0.21 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.83 3ha4 h VAL 174 Cb 0.17 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 3ha4 h VAL 174 CO -0.02 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 178.00 3ha4 h ASP 175 N -0.54 -0.24 -0.83 0.57 3.32 -0.70 -0.14 116.42 117.86 3ha4 h ASP 175 Ca 0.03 0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.27 3ha4 h ASP 175 Cb 0.56 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 3ha4 h ASP 175 CO -0.18 -0.08 0.54 0.44 -1.72 0.00 0.00 179.24 178.24 3ha4 h ASP 176 N 0.10 0.80 1.13 6.45 3.32 -0.27 0.17 116.42 128.13 3ha4 h ASP 176 Ca 0.25 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.13 3ha4 h ASP 176 Cb 0.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3ha4 h ASP 176 CO -0.43 0.52 -0.83 -0.07 -1.72 0.00 0.00 179.24 176.70 3ha4 h LEU 177 N 0.91 0.00 0.00 1.55 3.38 -0.15 -2.98 115.31 118.01 3ha4 h LEU 177 Ca 0.36 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.18 3ha4 h LEU 177 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3ha4 h LEU 177 CO -0.13 0.83 -0.84 -0.08 0.09 0.00 0.00 178.44 178.31 3ha4 h GLU 178 N 0.00 0.00 -0.09 1.13 4.57 -0.08 -2.81 114.58 117.30 3ha4 h GLU 178 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3ha4 h GLU 178 Cb 1.62 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.21 3ha4 h GLU 178 CO 0.11 0.53 0.00 0.09 -1.18 0.00 0.00 179.01 178.56 3ha4 n ASN 179 N -3.16 1.25 -4.81 1.04 3.02 0.52 -4.89 115.26 108.23 3ha4 n ASN 179 Ca -0.02 -1.56 -0.36 0.00 -0.03 0.00 0.00 54.58 52.61 3ha4 n ASN 179 Cb 0.80 -0.05 -0.07 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.89 3.41 -0.16 3.52 1.75 -1.06 -5.05 119.30 119.82 3ha4 s MET 180 Ca 0.34 -0.21 -0.00 0.00 -1.25 0.00 0.00 55.69 54.57 3ha4 s MET 180 Cb 0.18 -3.12 0.04 0.00 2.84 0.00 0.00 34.83 34.77 3ha4 s MET 180 CO 0.28 0.71 -0.06 0.34 -0.65 0.00 0.00 175.02 175.64 3ha4 s ASP 181 N -0.84 2.78 -0.26 1.11 2.15 -1.26 -4.97 116.67 115.38 3ha4 s ASP 181 Ca 0.14 -0.63 0.13 0.00 0.43 0.00 0.00 52.55 52.62 3ha4 s ASP 181 Cb -0.12 -0.92 0.72 0.00 -0.30 0.00 0.00 42.92 42.30 3ha4 s ASP 181 CO 0.03 -0.17 1.69 0.18 -0.17 0.00 0.00 175.17 176.72 3ha4 n LEU 182 N 4.87 5.39 -4.92 -1.34 4.32 -1.26 -4.94 117.00 119.12 3ha4 n LEU 182 Ca -0.12 -3.09 -0.26 0.00 -0.02 0.00 0.00 56.01 52.51 3ha4 n LEU 182 Cb 0.48 -0.67 -0.01 0.00 -1.62 0.00 0.00 43.42 41.59 3ha4 n LEU 182 CO 0.17 0.73 0.29 0.20 -1.22 0.00 0.00 177.39 177.56 3ha4 s ASN 183 N -1.22 6.31 0.00 -1.43 0.01 -1.26 -3.90 114.94 113.45 3ha4 s ASN 183 Ca 0.52 0.70 0.31 0.00 -0.71 0.00 0.00 52.86 53.67 3ha4 s ASN 183 Cb 0.41 -2.14 1.62 0.00 0.41 0.00 0.00 41.25 41.55 3ha4 s ASN 183 CO 0.13 -0.39 2.07 -2.65 -1.51 0.00 0.00 177.10 174.74