#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ha4 n ARG 72 N 0.00 2.20 -2.54 -0.14 0.63 -1.26 -4.93 116.66 110.62 3ha4 n ARG 72 Ca 0.00 0.80 -0.40 0.00 -0.92 0.00 0.00 57.85 57.33 3ha4 n ARG 72 Cb 0.00 -2.60 -0.04 0.00 0.45 0.00 0.00 32.46 30.26 3ha4 n ARG 72 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3ha4 s PRO 73 N 2.09 4.66 0.23 -0.14 0.02 -1.26 -4.96 135.00 135.63 3ha4 s PRO 73 Ca 0.84 1.72 -0.32 0.00 0.02 0.00 0.00 61.00 63.26 3ha4 s PRO 73 Cb -0.67 -3.24 -0.12 0.00 0.02 0.00 0.00 34.50 30.49 3ha4 s PRO 73 CO 0.42 0.22 1.65 -2.30 -0.33 0.00 0.00 177.00 176.66 3ha4 n PRO 74 N 1.65 2.61 -0.30 5.54 -0.02 -1.26 -4.80 135.00 138.42 3ha4 n PRO 74 Ca 0.00 0.94 0.01 0.00 -2.02 0.00 0.00 63.50 62.43 3ha4 n PRO 74 Cb 0.46 -2.74 0.20 0.00 -0.02 0.00 0.00 33.50 31.39 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 5.94 1.08 -0.75 6.00 7.01 -1.98 0.72 115.95 133.97 3ha4 h TRP 75 Ca -0.45 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.54 3ha4 h TRP 75 Cb 1.22 -0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 3ha4 h TRP 75 CO 0.62 0.64 0.30 -1.35 -2.79 0.00 0.00 178.44 175.85 3ha4 h PRO 76 N 1.13 1.12 -0.47 2.65 0.11 -1.98 0.26 132.00 134.81 3ha4 h PRO 76 Ca 0.35 -0.20 -0.12 0.00 0.11 0.00 0.00 66.00 66.13 3ha4 h PRO 76 Cb -0.01 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.91 3ha4 h PRO 76 CO -0.10 0.92 -0.19 1.25 -0.21 0.00 0.00 178.00 179.67 3ha4 h LEU 77 N 1.08 0.96 -0.74 2.35 5.85 -1.30 -0.71 115.31 122.81 3ha4 h LEU 77 Ca 0.25 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3ha4 h LEU 77 Cb 0.21 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3ha4 h LEU 77 CO -0.02 1.12 0.15 0.25 -0.34 0.00 0.00 178.44 179.60 3ha4 h LEU 78 N 0.82 1.05 -0.51 2.25 5.85 -0.88 -1.83 115.31 122.08 3ha4 h LEU 78 Ca 0.11 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3ha4 h LEU 78 Cb 0.75 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3ha4 h LEU 78 CO 0.06 1.02 0.16 -0.74 -0.34 0.00 0.00 178.44 178.60 3ha4 h HIS 79 N 1.04 0.82 -0.87 1.25 2.76 -0.83 -2.54 115.15 116.78 3ha4 h HIS 79 Ca 0.21 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3ha4 h HIS 79 Cb 0.40 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 3ha4 h HIS 79 CO 0.03 0.71 0.48 0.37 -1.30 0.00 0.00 177.93 178.22 3ha4 h GLN 80 N 0.69 1.21 -0.76 5.26 4.15 -0.97 -0.13 115.11 124.56 3ha4 h GLN 80 Ca 0.16 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 3ha4 h GLN 80 Cb 0.27 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3ha4 h GLN 80 CO -0.01 0.89 0.31 0.00 -1.93 0.00 0.00 178.83 178.09 3ha4 h ARG 81 N 1.22 1.14 -0.38 1.69 3.08 -1.16 0.18 114.38 120.15 3ha4 h ARG 81 Ca 0.31 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.09 3ha4 h ARG 81 Cb 0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 3ha4 h ARG 81 CO -0.05 0.93 -0.03 0.28 -1.07 0.00 0.00 179.97 180.03 3ha4 h VAL 82 N 1.10 1.27 -0.62 2.04 2.07 -1.02 -2.85 116.25 118.24 3ha4 h VAL 82 Ca 0.25 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3ha4 h VAL 82 Cb 0.21 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3ha4 h VAL 82 CO -0.02 0.35 0.34 0.58 0.02 0.00 0.00 177.57 178.84 3ha4 h VAL 83 N 0.50 0.99 -0.01 2.57 2.07 -0.65 -1.53 116.25 120.18 3ha4 h VAL 83 Ca 0.10 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3ha4 h VAL 83 Cb 0.51 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3ha4 h VAL 83 CO 0.02 0.12 0.17 -0.07 0.02 0.00 0.00 177.57 177.83 3ha4 h LEU 84 N 0.65 0.00 -1.55 2.57 -0.00 -0.42 -2.92 115.31 113.63 3ha4 h LEU 84 Ca 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.16 3ha4 h LEU 84 Cb 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 3ha4 h LEU 84 CO -0.16 0.00 0.31 -0.07 -0.00 0.00 0.00 178.44 178.52 3ha4 h LEU 85 N 0.00 0.52 0.00 1.67 3.38 -1.12 0.43 115.31 120.19 3ha4 h LEU 85 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ha4 h LEU 85 Cb 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3ha4 h LEU 85 CO -0.00 0.37 -1.01 0.54 0.09 0.00 0.00 178.44 178.43 3ha4 n ARG 86 N -4.47 0.57 -0.01 1.13 1.74 -1.10 -4.21 116.66 110.30 3ha4 n ARG 86 Ca 0.04 0.10 0.08 0.00 -0.77 0.00 0.00 57.85 57.30 3ha4 n ARG 86 Cb 0.06 -1.79 0.08 0.00 -1.02 0.00 0.00 32.46 29.79 3ha4 n ARG 86 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3ha4 n GLU 87 N -2.58 1.32 -0.15 5.56 -0.58 -0.64 -4.97 120.64 118.60 3ha4 n GLU 87 Ca 0.00 -1.50 -0.08 0.00 -0.42 0.00 0.00 57.16 55.16 3ha4 n GLU 87 Cb 0.54 -1.31 0.07 0.00 -0.57 0.00 0.00 31.44 30.17 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 0.91 -3.25 0.00 0.62 0.00 0.14 -5.02 105.19 98.59 3ha4 n GLY 88 Ca 0.10 -1.34 -0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.74 3.31 0.00 1.61 5.02 -1.26 -5.08 118.16 119.02 3ha4 n LYS 89 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3ha4 n LYS 89 Cb 0.16 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 3.05 3.58 3.75 0.72 0.00 -1.26 -5.12 105.19 109.91 3ha4 n GLY 90 Ca -0.01 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3ha4 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ha4 s ALA 91 N -2.00 3.43 0.51 4.61 0.00 -1.26 -5.03 121.76 122.02 3ha4 s ALA 91 Ca 0.00 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 3ha4 s ALA 91 Cb 0.00 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 3ha4 s ALA 91 CO 0.00 -0.31 1.03 -1.25 0.00 0.00 0.00 175.76 175.23 3ha4 s PRO 92 N -0.76 3.73 0.85 0.00 0.04 -1.26 -5.06 135.00 132.54 3ha4 s PRO 92 Ca 0.49 1.26 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 3ha4 s PRO 92 Cb -0.33 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.23 3ha4 s PRO 92 CO 0.39 -0.47 1.10 -1.21 0.04 0.00 0.00 177.00 176.84 3ha4 s GLU 93 N -3.52 1.63 -0.10 4.56 0.41 -1.26 -4.77 118.70 115.64 3ha4 s GLU 93 Ca 0.65 0.70 -0.32 0.00 -0.41 0.00 0.00 54.97 55.59 3ha4 s GLU 93 Cb -0.15 -1.86 -0.10 0.00 -1.78 0.00 0.00 34.13 30.24 3ha4 s GLU 93 CO 0.25 -1.95 1.99 -3.47 -0.49 0.00 0.00 175.26 171.59 3ha4 n ASP 94 N -3.67 3.52 -0.14 -0.19 4.64 -1.26 -4.78 116.55 114.67 3ha4 n ASP 94 Ca 0.07 0.78 -0.11 0.00 -1.38 0.00 0.00 54.79 54.14 3ha4 n ASP 94 Cb 0.56 -1.44 0.01 0.00 -1.04 0.00 0.00 41.12 39.21 3ha4 n ASP 94 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 3ha4 h ILE 95 N 5.94 1.27 -0.47 5.18 2.04 -1.86 -3.17 117.51 126.43 3ha4 h ILE 95 Ca -0.46 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 63.91 3ha4 h ILE 95 Cb 1.26 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 3ha4 h ILE 95 CO 0.95 0.49 0.02 0.00 0.00 0.00 0.00 178.15 179.61 3ha4 h ALA 96 N 0.88 1.15 0.01 1.87 0.00 -1.86 -1.98 119.26 119.34 3ha4 h ALA 96 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ha4 h ALA 96 Cb 0.84 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ha4 h ALA 96 CO 0.07 0.55 -0.00 1.25 0.00 0.00 0.00 179.25 181.12 3ha4 h LEU 97 N 0.72 -0.01 -0.59 0.00 6.46 -1.93 -0.19 115.31 119.77 3ha4 h LEU 97 Ca 0.15 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3ha4 h LEU 97 Cb 0.41 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3ha4 h LEU 97 CO 0.01 0.03 0.37 0.24 -0.62 0.00 0.00 178.44 178.48 3ha4 h MET 98 N -0.05 0.73 -0.18 1.25 2.86 -1.44 0.27 114.93 118.37 3ha4 h MET 98 Ca -0.00 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3ha4 h MET 98 Cb 0.05 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 3ha4 h MET 98 CO 0.00 0.48 -0.26 2.35 1.06 0.00 0.00 176.91 180.54 3ha4 h TRP 99 N 0.75 0.61 -0.71 -0.22 -0.00 -1.29 -0.92 115.95 114.17 3ha4 h TRP 99 Ca 0.23 -0.20 0.08 0.00 -0.00 0.00 0.00 58.89 58.99 3ha4 h TRP 99 Cb -0.02 -0.12 -0.06 0.00 -0.00 0.00 0.00 29.16 28.95 3ha4 h TRP 99 CO -0.05 0.90 0.38 1.49 -0.00 0.00 0.00 178.44 181.16 3ha4 h GLU 100 N 0.14 0.64 -0.16 2.65 4.57 -0.68 -0.45 114.58 121.30 3ha4 h GLU 100 Ca 0.02 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 3ha4 h GLU 100 Cb 0.84 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3ha4 h GLU 100 CO 0.06 0.43 -0.19 1.96 -1.18 0.00 0.00 179.01 180.09 3ha4 h GLN 101 N 0.66 0.27 0.00 1.92 4.20 -0.13 -2.28 115.11 119.75 3ha4 h GLN 101 Ca 0.34 -0.08 -0.23 0.00 0.06 0.00 0.00 58.65 58.74 3ha4 h GLN 101 Cb 0.29 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3ha4 h GLN 101 CO -0.23 0.46 -0.95 1.79 -0.67 0.00 0.00 178.83 179.23 3ha4 h THR 102 N 0.25 1.40 -0.66 -0.54 1.35 -0.40 -1.38 112.91 112.93 3ha4 h THR 102 Ca 0.05 -2.45 -0.04 0.00 -0.55 0.00 0.00 66.41 63.41 3ha4 h THR 102 Cb 0.48 2.42 -0.03 0.00 -1.73 0.00 0.00 68.15 69.29 3ha4 h THR 102 CO 0.03 0.73 0.23 0.11 -0.25 0.00 0.00 175.52 176.38 3ha4 h LYS 103 N 0.23 0.98 0.05 4.72 1.57 -0.94 0.14 116.57 123.33 3ha4 h LYS 103 Ca -0.08 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3ha4 h LYS 103 Cb 1.58 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.73 3ha4 h LYS 103 CO 0.16 0.82 -0.02 1.25 -0.57 0.00 0.00 179.45 181.10 3ha4 h HIS 104 N 0.96 -0.06 0.00 -1.35 2.76 -1.39 -3.30 115.15 112.77 3ha4 h HIS 104 Ca 0.22 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.27 3ha4 h HIS 104 Cb 0.23 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 3ha4 h HIS 104 CO 0.02 -0.04 -0.64 1.88 -1.30 0.00 0.00 177.93 177.85 3ha4 h TYR 105 N -0.95 0.00 -1.53 5.26 0.05 -1.35 -3.38 116.97 115.08 3ha4 h TYR 105 Ca -0.01 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 3ha4 h TYR 105 Cb 0.05 0.00 -0.41 0.00 1.01 0.00 0.00 36.73 37.38 3ha4 h TYR 105 CO 0.00 0.52 -0.97 0.66 -1.05 0.00 0.00 178.16 177.32 3ha4 n TYR 106 N -3.18 2.11 0.29 4.88 4.01 0.49 -4.88 117.16 120.88 3ha4 n TYR 106 Ca 0.00 -3.25 0.19 0.00 -0.16 0.00 0.00 57.90 54.68 3ha4 n TYR 106 Cb 0.75 -0.31 0.97 0.00 -0.31 0.00 0.00 39.34 40.44 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 2.87 0.00 -0.02 -0.72 0.11 -1.61 -1.19 132.00 131.44 3ha4 h PRO 107 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 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 0.66 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.37 3ha4 n ALA 108 N -2.15 2.63 -1.77 -0.75 0.00 -1.26 -4.89 120.51 112.32 3ha4 n ALA 108 Ca -0.01 -0.59 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 3ha4 n ALA 108 Cb 0.23 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.38 6.77 -0.07 0.00 2.15 -0.45 -4.84 116.67 118.84 3ha4 s ASP 109 Ca 0.16 2.48 0.15 0.00 0.43 0.00 0.00 52.55 55.77 3ha4 s ASP 109 Cb 0.12 -2.63 -0.22 0.00 -0.30 0.00 0.00 42.92 39.89 3ha4 s ASP 109 CO 0.23 -0.52 0.24 -2.67 -0.17 0.00 0.00 175.17 172.29 3ha4 n TRP 110 N 0.60 0.00 -0.00 -5.34 4.27 -1.26 -4.65 117.44 111.05 3ha4 n TRP 110 Ca 0.01 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.50 3ha4 n TRP 110 Cb 0.44 -0.49 -0.09 0.00 -1.36 0.00 0.00 31.31 29.81 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 0.01 -0.48 5.67 5.85 -1.94 -0.51 115.31 123.91 3ha4 h LEU 111 Ca -0.14 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.14 3ha4 h LEU 111 Cb 1.15 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 3ha4 h LEU 111 CO 0.01 0.40 0.12 0.40 -0.34 0.00 0.00 178.44 179.03 3ha4 h ILE 112 N -0.39 1.24 -0.57 4.05 2.04 -1.98 -2.24 117.51 119.65 3ha4 h ILE 112 Ca 0.00 -0.83 0.12 0.00 1.00 0.00 0.00 64.86 65.15 3ha4 h ILE 112 Cb 0.40 0.86 -0.11 0.00 -0.74 0.00 0.00 36.82 37.23 3ha4 h ILE 112 CO 0.00 0.30 -0.13 -0.65 0.00 0.00 0.00 178.15 177.67 3ha4 h PRO 113 N 0.65 0.01 -0.80 2.37 0.11 -1.82 0.11 132.00 132.63 3ha4 h PRO 113 Ca 0.15 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.35 3ha4 h PRO 113 Cb 0.32 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.36 3ha4 h PRO 113 CO 0.00 0.01 0.45 -0.07 -0.21 0.00 0.00 178.00 178.18 3ha4 h LEU 114 N 0.01 0.66 -0.50 2.35 4.07 -0.71 -0.15 115.31 121.04 3ha4 h LEU 114 Ca 0.28 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 58.19 3ha4 h LEU 114 Cb 0.43 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 3ha4 h LEU 114 CO -0.58 0.39 -0.03 -0.33 -1.08 0.00 0.00 178.44 176.80 3ha4 h GLU 115 N 0.78 0.90 -0.17 1.13 4.39 -0.82 -2.39 114.58 118.40 3ha4 h GLU 115 Ca 0.38 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 3ha4 h GLU 115 Cb 0.32 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3ha4 h GLU 115 CO -0.23 0.94 -0.15 1.25 -1.16 0.00 0.00 179.01 179.66 3ha4 h LEU 116 N 0.75 0.27 -0.62 1.33 5.85 -0.62 -1.58 115.31 120.70 3ha4 h LEU 116 Ca 0.14 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3ha4 h LEU 116 Cb 0.56 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3ha4 h LEU 116 CO 0.03 0.45 0.30 0.74 -0.34 0.00 0.00 178.44 179.62 3ha4 h THR 117 N 0.26 1.21 -0.49 1.05 2.02 -0.54 0.32 112.91 116.75 3ha4 h THR 117 Ca 0.05 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3ha4 h THR 117 Cb 0.43 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3ha4 h THR 117 CO 0.03 0.25 0.32 1.56 0.37 0.00 0.00 175.52 178.04 3ha4 h GLN 118 N 0.84 0.65 -0.44 6.66 1.08 -0.94 0.39 115.11 123.34 3ha4 h GLN 118 Ca 0.21 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.43 3ha4 h GLN 118 Cb 0.11 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.35 3ha4 h GLN 118 CO -0.03 0.43 0.14 0.28 -0.95 0.00 0.00 178.83 178.71 3ha4 h VAL 119 N 0.66 0.84 -0.51 -0.54 2.07 -0.71 -1.55 116.25 116.51 3ha4 h VAL 119 Ca 0.18 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.47 3ha4 h VAL 119 Cb -0.07 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3ha4 h VAL 119 CO -0.04 0.06 -0.16 -0.07 0.02 0.00 0.00 177.57 177.38 3ha4 h LEU 120 N 0.31 1.02 -1.15 2.57 3.38 -0.45 -1.71 115.31 119.27 3ha4 h LEU 120 Ca 0.21 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3ha4 h LEU 120 Cb 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ha4 h LEU 120 CO -0.23 1.16 0.29 0.50 0.09 0.00 0.00 178.44 180.25 3ha4 h LYS 121 N 0.88 0.88 -0.00 1.13 3.64 0.42 -3.31 116.57 120.21 3ha4 h LYS 121 Ca 0.13 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ha4 h LYS 121 Cb 0.73 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3ha4 h LYS 121 CO 0.06 0.69 -0.14 0.66 -2.27 0.00 0.00 179.45 178.46 3ha4 n TYR 122 N -4.34 0.00 -2.88 1.91 4.01 -0.64 -4.97 117.16 110.24 3ha4 n TYR 122 Ca 0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.47 3ha4 n TYR 122 Cb 0.14 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.10 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 -1.04 6.92 0.64 7.72 0.01 -0.65 -5.05 113.70 122.25 3ha4 s SER 123 Ca 0.04 1.62 -0.14 0.00 1.31 0.00 0.00 55.95 58.77 3ha4 s SER 123 Cb 0.04 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3ha4 s SER 123 CO 0.15 -0.32 1.07 -0.94 0.41 0.00 0.00 173.24 173.61 3ha4 s SER 124 N -2.18 5.45 0.17 2.44 1.04 -1.26 -4.88 113.70 114.48 3ha4 s SER 124 Ca 0.60 1.84 -0.16 0.00 0.48 0.00 0.00 55.95 58.70 3ha4 s SER 124 Cb -0.10 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.61 3ha4 s SER 124 CO 0.14 -1.40 1.67 1.23 0.98 0.00 0.00 173.24 175.86 3ha4 h GLY 125 N 0.05 0.32 0.81 7.32 0.00 -1.81 -1.12 103.07 108.64 3ha4 h GLY 125 Ca -0.46 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.01 3ha4 h GLY 125 CO 0.56 -0.15 -0.04 1.70 0.00 0.00 0.00 176.54 178.60 3ha4 h LYS 126 N 0.02 -0.05 -0.16 4.80 3.64 -1.91 0.50 116.57 123.41 3ha4 h LYS 126 Ca 0.20 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3ha4 h LYS 126 Cb 0.31 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 3ha4 h LYS 126 CO -0.42 -0.03 -0.18 -0.92 -2.27 0.00 0.00 179.45 175.63 3ha4 h TYR 127 N -0.05 -0.45 -0.45 1.91 3.20 -1.90 -0.02 116.97 119.21 3ha4 h TYR 127 Ca 0.04 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.96 3ha4 h TYR 127 Cb 0.10 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3ha4 h TYR 127 CO -0.14 -0.25 0.26 -0.07 -1.64 0.00 0.00 178.16 176.32 3ha4 h LEU 128 N -0.21 0.42 -1.05 2.82 4.07 -0.86 -2.40 115.31 118.10 3ha4 h LEU 128 Ca 0.11 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 3ha4 h LEU 128 Cb 0.37 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 3ha4 h LEU 128 CO -0.28 0.30 -0.36 -0.61 -1.08 0.00 0.00 178.44 176.40 3ha4 h GLN 129 N 0.53 0.00 -0.08 1.13 5.75 -0.67 0.39 115.11 122.17 3ha4 h GLN 129 Ca 0.18 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.57 3ha4 h GLN 129 Cb 0.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3ha4 h GLN 129 CO -0.09 0.36 -0.47 1.15 -2.65 0.00 0.00 178.83 177.14 3ha4 h THR 130 N 0.00 1.34 -0.00 2.39 2.02 -0.52 -3.35 112.91 114.79 3ha4 h THR 130 Ca -0.00 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.52 3ha4 h THR 130 Cb 0.83 1.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 3ha4 h THR 130 CO 0.05 0.49 -0.01 -1.22 0.37 0.00 0.00 175.52 175.20 3ha4 n TYR 131 N -3.98 0.00 -3.80 3.16 4.01 -1.00 -4.89 117.16 110.66 3ha4 n TYR 131 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.45 3ha4 n TYR 131 Cb 0.51 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.38 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 -0.23 0.71 0.23 -0.72 1.01 0.13 -4.65 120.40 116.90 3ha4 s VAL 132 Ca 0.01 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 3ha4 s VAL 132 Cb 0.01 -1.04 0.27 0.00 0.00 0.00 0.00 36.38 35.63 3ha4 s VAL 132 CO 0.02 -0.00 1.56 0.00 0.00 0.00 0.00 175.10 176.68 3ha4 h ALA 133 N 8.21 0.26 -2.73 5.51 0.00 -1.84 -3.25 119.26 125.42 3ha4 h ALA 133 Ca -0.19 0.29 -0.60 0.00 0.00 0.00 0.00 54.91 54.40 3ha4 h ALA 133 Cb 1.12 0.90 -0.40 0.00 0.00 0.00 0.00 17.79 19.41 3ha4 h ALA 133 CO 0.34 -0.57 -0.79 0.34 0.00 0.00 0.00 179.25 178.57 3ha4 s ASP 134 N -5.30 3.03 0.33 0.00 -1.08 -1.26 -4.98 116.67 107.40 3ha4 s ASP 134 Ca -0.14 -3.18 0.05 0.00 -0.52 0.00 0.00 52.55 48.76 3ha4 s ASP 134 Cb 0.21 -0.93 0.68 0.00 -1.46 0.00 0.00 42.92 41.42 3ha4 s ASP 134 CO 0.73 -0.17 1.88 -0.65 0.52 0.00 0.00 175.17 177.48 3ha4 h PRO 135 N 5.86 0.83 0.00 4.34 0.11 -1.86 -2.23 132.00 139.05 3ha4 h PRO 135 Ca 0.16 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 3ha4 h PRO 135 Cb 0.87 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 3ha4 h PRO 135 CO 0.50 0.55 -0.51 0.22 -0.21 0.00 0.00 178.00 178.54 3ha4 h ASP 136 N 0.85 0.00 0.02 -2.05 3.58 -1.93 -1.20 116.42 115.69 3ha4 h ASP 136 Ca 0.43 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.64 3ha4 h ASP 136 Cb 0.47 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.54 3ha4 h ASP 136 CO -0.19 0.51 -0.87 -0.08 -2.88 0.00 0.00 179.24 175.73 3ha4 h GLU 137 N 0.00 0.66 -0.43 0.28 4.81 -1.85 -1.63 114.58 116.42 3ha4 h GLU 137 Ca -0.01 -0.61 0.02 0.00 -0.13 0.00 0.00 59.36 58.64 3ha4 h GLU 137 Cb 1.09 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 3ha4 h GLU 137 CO 0.07 1.22 0.25 1.98 -0.73 0.00 0.00 179.01 181.79 3ha4 h MET 138 N 0.42 0.48 -0.66 1.92 4.05 -1.16 -0.99 114.93 119.00 3ha4 h MET 138 Ca -0.08 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.37 3ha4 h MET 138 Cb 1.50 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 32.14 3ha4 h MET 138 CO 0.17 0.32 0.38 -0.09 0.23 0.00 0.00 176.91 177.91 3ha4 h ARG 139 N 0.50 0.68 -0.25 0.39 2.43 -1.08 0.18 114.38 117.24 3ha4 h ARG 139 Ca 0.17 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 3ha4 h ARG 139 Cb 0.02 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 3ha4 h ARG 139 CO -0.09 0.45 -0.34 0.87 -1.51 0.00 0.00 179.97 179.36 3ha4 h LYS 140 N 0.70 0.53 -0.41 0.20 1.57 -0.94 -1.16 116.57 117.06 3ha4 h LYS 140 Ca 0.29 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3ha4 h LYS 140 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ha4 h LYS 140 CO -0.16 0.80 -0.08 0.93 -0.57 0.00 0.00 179.45 180.37 3ha4 h GLU 141 N 0.45 0.78 -0.40 3.15 5.08 -0.46 -0.53 114.58 122.64 3ha4 h GLU 141 Ca 0.05 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3ha4 h GLU 141 Cb 0.80 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3ha4 h GLU 141 CO 0.07 0.90 0.18 0.28 -1.00 0.00 0.00 179.01 179.43 3ha4 h VAL 142 N 0.60 1.18 -0.29 3.13 2.07 -0.88 -1.41 116.25 120.65 3ha4 h VAL 142 Ca 0.11 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3ha4 h VAL 142 Cb 0.59 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3ha4 h VAL 142 CO 0.04 0.20 -0.06 0.25 0.02 0.00 0.00 177.57 178.02 3ha4 h LEU 143 N 0.51 -0.25 -0.56 2.57 5.85 -1.07 -2.33 115.31 120.03 3ha4 h LEU 143 Ca 0.14 0.08 0.07 0.00 0.84 0.00 0.00 57.88 59.01 3ha4 h LEU 143 Cb 0.15 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3ha4 h LEU 143 CO -0.01 -0.09 0.25 -0.03 -0.34 0.00 0.00 178.44 178.22 3ha4 h MET 144 N 0.01 0.45 -0.39 1.25 4.05 -0.75 -0.20 114.93 119.36 3ha4 h MET 144 Ca 0.14 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 3ha4 h MET 144 Cb 0.21 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 3ha4 h MET 144 CO -0.29 0.30 0.14 0.37 0.23 0.00 0.00 176.91 177.66 3ha4 h GLN 145 N 0.47 0.59 -0.91 0.39 4.15 -0.87 -0.74 115.11 118.17 3ha4 h GLN 145 Ca 0.27 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 3ha4 h GLN 145 Cb 0.25 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 3ha4 h GLN 145 CO -0.23 0.57 0.55 -0.07 -1.93 0.00 0.00 178.83 177.72 3ha4 h LEU 146 N 0.48 1.09 -0.59 -2.39 3.38 -1.03 0.18 115.31 116.44 3ha4 h LEU 146 Ca 0.13 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ha4 h LEU 146 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3ha4 h LEU 146 CO -0.01 0.84 0.34 -0.07 0.09 0.00 0.00 178.44 179.63 3ha4 h LEU 147 N 1.26 0.72 -0.68 1.67 4.07 -0.73 -0.06 115.31 121.56 3ha4 h LEU 147 Ca 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.20 3ha4 h LEU 147 Cb -0.05 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 3ha4 h LEU 147 CO -0.06 0.58 0.35 0.78 -1.08 0.00 0.00 178.44 179.01 3ha4 h ASN 148 N 0.80 0.87 0.46 -0.43 2.35 -0.23 -3.12 115.58 116.28 3ha4 h ASN 148 Ca 0.21 -0.12 -0.20 0.00 -0.55 0.00 0.00 56.30 55.65 3ha4 h ASN 148 Cb 0.00 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3ha4 h ASN 148 CO -0.04 0.74 -0.84 0.58 -1.65 0.00 0.00 177.43 176.22 3ha4 h VAL 149 N 0.94 1.45 -0.19 2.81 2.07 -0.47 -0.39 116.25 122.46 3ha4 h VAL 149 Ca 0.24 -2.45 0.04 0.00 0.82 0.00 0.00 66.70 65.35 3ha4 h VAL 149 Cb 0.08 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3ha4 h VAL 149 CO -0.03 0.72 0.14 0.50 0.02 0.00 0.00 177.57 178.91 3ha4 h LYS 150 N 0.16 0.08 -0.24 1.57 3.64 -0.95 -2.87 116.57 117.97 3ha4 h LYS 150 Ca -0.05 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3ha4 h LYS 150 Cb 1.45 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3ha4 h LYS 150 CO 0.13 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 178.03 3ha4 n TYR 151 N -4.49 0.72 -2.59 1.91 4.01 -1.15 -4.97 117.16 110.60 3ha4 n TYR 151 Ca 0.01 -0.81 -0.21 0.00 -0.16 0.00 0.00 57.90 56.72 3ha4 n TYR 151 Cb 0.22 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 -0.44 -0.51 0.17 2.72 0.00 -1.08 -4.89 105.19 101.16 3ha4 n GLY 152 Ca 0.18 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 3ha4 n GLY 152 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ha4 h ARG 153 N -0.42 0.23 -4.76 1.61 3.08 -1.34 -3.42 114.38 109.36 3ha4 h ARG 153 Ca -0.51 -0.15 -0.69 0.00 0.07 0.00 0.00 59.98 58.70 3ha4 h ARG 153 Cb 1.37 0.02 -0.29 0.00 0.08 0.00 0.00 29.97 31.15 3ha4 h ARG 153 CO 0.58 0.75 -0.64 0.54 -1.07 0.00 0.00 179.97 180.14 3ha4 s VAL 154 N -3.78 3.62 -0.60 2.04 0.11 -1.26 -5.05 120.40 115.49 3ha4 s VAL 154 Ca -0.04 -1.01 -0.21 0.00 -2.93 0.00 0.00 61.98 57.79 3ha4 s VAL 154 Cb 0.12 -2.97 0.08 0.00 -1.53 0.00 0.00 36.38 32.08 3ha4 s VAL 154 CO 0.79 -0.04 0.80 -0.94 -3.33 0.00 0.00 175.10 172.39 3ha4 s SER 155 N 1.40 6.19 -0.18 3.54 1.04 -1.26 -4.78 113.70 119.66 3ha4 s SER 155 Ca -0.01 -1.14 -0.14 0.00 0.48 0.00 0.00 55.95 55.15 3ha4 s SER 155 Cb -0.18 -2.35 0.05 0.00 0.10 0.00 0.00 66.02 63.64 3ha4 s SER 155 CO 0.01 -1.21 0.47 -0.62 0.98 0.00 0.00 173.24 172.87 3ha4 s ASP 156 N 3.47 -0.53 0.34 7.02 2.15 -1.26 -5.07 116.67 122.79 3ha4 s ASP 156 Ca 0.17 0.97 0.26 0.00 0.43 0.00 0.00 52.55 54.38 3ha4 s ASP 156 Cb -0.20 0.93 0.72 0.00 -0.30 0.00 0.00 42.92 44.08 3ha4 s ASP 156 CO 0.09 -0.18 1.73 -0.65 -0.17 0.00 0.00 175.17 176.00 3ha4 h PRO 157 N 6.07 0.00 -7.04 4.34 0.11 -1.97 -3.46 132.00 130.04 3ha4 h PRO 157 Ca -0.31 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.31 3ha4 h PRO 157 Cb 1.18 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.33 3ha4 h PRO 157 CO 0.23 0.00 0.19 -0.80 -0.21 0.00 0.00 178.00 177.41 3ha4 s ASN 158 N -5.25 6.24 0.29 -2.05 -0.87 -1.26 -4.93 114.94 107.11 3ha4 s ASN 158 Ca 0.07 1.05 0.00 0.00 -1.57 0.00 0.00 52.86 52.41 3ha4 s ASN 158 Cb 0.09 -2.29 0.00 0.00 -0.02 0.00 0.00 41.25 39.03 3ha4 s ASN 158 CO 0.59 -0.66 0.00 0.61 -2.57 0.00 0.00 177.10 175.07 3ha4 n GLY 159 N -2.39 -1.90 3.48 0.66 0.00 -1.26 -4.23 105.19 99.55 3ha4 n GLY 159 Ca 0.02 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.85 1.51 0.45 -0.02 0.00 -1.26 -4.93 107.32 98.21 3ha4 s GLY 160 Ca 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 44.72 44.23 3ha4 s GLY 160 CO 0.00 0.28 0.17 0.50 0.00 0.00 0.00 173.10 174.05 3ha4 s ARG 161 N -4.90 2.19 0.09 2.90 1.81 -1.26 -4.72 118.95 115.06 3ha4 s ARG 161 Ca 0.68 -1.99 0.06 0.00 -1.72 0.00 0.00 55.73 52.77 3ha4 s ARG 161 Cb -0.18 -1.89 -0.03 0.00 -0.45 0.00 0.00 34.95 32.40 3ha4 s ARG 161 CO 0.60 -0.22 -0.16 0.14 -0.68 0.00 0.00 175.30 174.98 3ha4 s VAL 162 N -2.68 1.33 0.19 3.52 -7.23 -1.26 -4.96 120.40 109.31 3ha4 s VAL 162 Ca 0.34 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3ha4 s VAL 162 Cb 0.03 -1.31 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 3ha4 s VAL 162 CO 0.19 -0.22 0.22 -0.46 -0.31 0.00 0.00 175.10 174.51 3ha4 n ASN 163 N 1.05 -0.59 -0.24 4.85 0.23 -1.26 -5.00 115.26 114.30 3ha4 n ASN 163 Ca -0.19 -2.14 0.04 0.00 -0.53 0.00 0.00 54.58 51.76 3ha4 n ASN 163 Cb 0.55 1.19 0.15 0.00 -2.08 0.00 0.00 39.78 39.59 3ha4 n ASN 163 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3ha4 h LYS 164 N 0.00 0.16 0.30 -3.83 1.57 -2.00 -0.56 116.57 112.20 3ha4 h LYS 164 Ca -0.14 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3ha4 h LYS 164 Cb 0.67 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3ha4 h LYS 164 CO 0.20 0.10 -0.14 -0.44 -0.57 0.00 0.00 179.45 178.60 3ha4 h ASP 165 N 0.16 -0.34 -0.64 0.86 3.32 -2.00 -1.83 116.42 115.95 3ha4 h ASP 165 Ca 0.39 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.53 3ha4 h ASP 165 Cb 0.68 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 3ha4 h ASP 165 CO -0.58 -0.24 0.42 0.58 -1.72 0.00 0.00 179.24 177.71 3ha4 h VAL 166 N -0.41 0.97 -0.42 -1.35 2.07 -1.82 -1.08 116.25 114.21 3ha4 h VAL 166 Ca -0.04 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3ha4 h VAL 166 Cb 0.31 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3ha4 h VAL 166 CO 0.07 0.11 -0.09 -0.08 0.02 0.00 0.00 177.57 177.59 3ha4 h GLU 167 N 0.58 0.73 -0.40 1.57 4.81 -0.63 0.90 114.58 122.14 3ha4 h GLU 167 Ca 0.28 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3ha4 h GLU 167 Cb 0.36 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3ha4 h GLU 167 CO -0.09 0.80 0.09 1.49 -0.73 0.00 0.00 179.01 180.57 3ha4 h GLU 168 N 0.67 0.65 0.00 1.92 4.22 -0.39 -1.00 114.58 120.65 3ha4 h GLU 168 Ca 0.12 -0.16 -0.14 0.00 0.08 0.00 0.00 59.36 59.26 3ha4 h GLU 168 Cb 0.54 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3ha4 h GLU 168 CO 0.03 0.68 -0.65 -0.84 -2.18 0.00 0.00 179.01 176.05 3ha4 h ILE 169 N 0.51 1.43 -0.30 2.32 3.07 -1.04 -1.85 117.51 121.65 3ha4 h ILE 169 Ca 0.12 -2.25 0.00 0.00 1.55 0.00 0.00 64.86 64.29 3ha4 h ILE 169 Cb 0.33 2.22 -0.01 0.00 -0.27 0.00 0.00 36.82 39.09 3ha4 h ILE 169 CO 0.00 0.64 0.20 0.40 -1.05 0.00 0.00 178.15 178.34 3ha4 h ILE 170 N 0.00 1.08 -0.72 0.16 2.04 -0.65 -2.31 117.51 117.10 3ha4 h ILE 170 Ca -0.01 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.75 3ha4 h ILE 170 Cb 1.17 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 3ha4 h ILE 170 CO 0.08 0.07 0.45 0.28 0.00 0.00 0.00 178.15 179.03 3ha4 h SER 171 N 0.40 0.72 -0.66 1.72 0.02 -0.91 -0.06 113.55 114.79 3ha4 h SER 171 Ca 0.11 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.15 3ha4 h SER 171 Cb -0.05 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.28 3ha4 h SER 171 CO -0.02 0.50 0.31 0.24 -1.14 0.00 0.00 176.83 176.71 3ha4 h MET 172 N 0.86 0.53 -0.24 3.45 2.86 -1.06 0.57 114.93 121.90 3ha4 h MET 172 Ca 0.29 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.76 3ha4 h MET 172 Cb 0.04 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3ha4 h MET 172 CO -0.12 0.35 -0.44 0.00 1.06 0.00 0.00 176.91 177.76 3ha4 h ALA 173 N 1.40 0.78 -0.15 6.32 0.00 -0.82 -0.83 119.26 125.96 3ha4 h ALA 173 Ca 0.32 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3ha4 h ALA 173 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ha4 h ALA 173 CO -0.26 0.66 0.06 0.28 0.00 0.00 0.00 179.25 179.99 3ha4 h VAL 174 N 0.49 0.98 0.10 0.00 2.07 -0.11 0.11 116.25 119.89 3ha4 h VAL 174 Ca 0.03 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3ha4 h VAL 174 Cb 0.96 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3ha4 h VAL 174 CO 0.09 0.03 -0.25 -0.78 0.02 0.00 0.00 177.57 176.67 3ha4 h ASP 175 N 0.14 -0.71 -0.65 0.57 3.58 -0.68 -0.72 116.42 117.94 3ha4 h ASP 175 Ca 0.06 0.08 0.13 0.00 0.42 0.00 0.00 57.03 57.73 3ha4 h ASP 175 Cb 0.03 0.27 -0.12 0.00 1.72 0.00 0.00 39.33 41.22 3ha4 h ASP 175 CO -0.06 -0.33 -0.17 0.44 -2.88 0.00 0.00 179.24 176.24 3ha4 h ASP 176 N -0.44 -0.63 -0.16 2.28 3.32 -0.66 -2.47 116.42 117.66 3ha4 h ASP 176 Ca 0.03 0.20 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 3ha4 h ASP 176 Cb 0.48 0.41 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3ha4 h ASP 176 CO -0.15 -0.22 -0.41 -0.07 -1.72 0.00 0.00 179.24 176.66 3ha4 h LEU 177 N -0.01 0.74 -1.62 1.55 3.38 -0.24 -2.84 115.31 116.28 3ha4 h LEU 177 Ca 0.31 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3ha4 h LEU 177 Cb 0.48 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ha4 h LEU 177 CO -0.68 1.06 -0.20 -0.33 0.09 0.00 0.00 178.44 178.38 3ha4 h GLU 178 N 0.57 0.00 -0.37 1.13 5.08 -0.67 -2.80 114.58 117.52 3ha4 h GLU 178 Ca 0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.14 3ha4 h GLU 178 Cb 0.95 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.01 3ha4 h GLU 178 CO 0.09 0.20 -0.55 0.09 -1.00 0.00 0.00 179.01 177.85 3ha4 n ASN 179 N -4.17 3.27 -4.72 1.42 3.02 -1.15 -4.99 115.26 107.94 3ha4 n ASN 179 Ca -0.02 -3.83 -0.37 0.00 -0.03 0.00 0.00 54.58 50.33 3ha4 n ASN 179 Cb 0.27 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 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 -3.41 4.29 -0.34 3.52 1.75 -1.06 -5.00 119.30 119.06 3ha4 s MET 180 Ca 0.45 0.27 -0.08 0.00 -1.25 0.00 0.00 55.69 55.07 3ha4 s MET 180 Cb 0.39 -3.44 0.02 0.00 2.84 0.00 0.00 34.83 34.65 3ha4 s MET 180 CO -0.02 0.18 0.14 0.34 -0.65 0.00 0.00 175.02 175.01 3ha4 s ASP 181 N 0.59 5.45 0.00 1.11 2.15 -1.26 -4.95 116.67 119.76 3ha4 s ASP 181 Ca 0.21 -0.91 0.24 0.00 0.43 0.00 0.00 52.55 52.52 3ha4 s ASP 181 Cb -0.14 -1.94 0.36 0.00 -0.30 0.00 0.00 42.92 40.90 3ha4 s ASP 181 CO 0.07 -0.30 1.31 0.18 -0.17 0.00 0.00 175.17 176.26 3ha4 n LEU 182 N 4.91 0.82 -4.71 -1.34 4.32 -1.26 -4.93 117.00 114.80 3ha4 n LEU 182 Ca -0.13 -0.21 -0.43 0.00 -0.02 0.00 0.00 56.01 55.22 3ha4 n LEU 182 Cb 0.46 -0.15 -0.02 0.00 -1.62 0.00 0.00 43.42 42.09 3ha4 n LEU 182 CO 0.33 0.18 1.11 0.59 -1.22 0.00 0.00 177.39 178.38 3ha4 n ASN 183 N -1.23 3.30 0.00 -1.43 4.13 -1.26 -4.27 115.26 114.50 3ha4 n ASN 183 Ca 0.07 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.49 3ha4 n ASN 183 Cb 0.35 -1.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.07 3ha4 n ASN 183 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89