#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlx s ILE 3 N 0.00 4.85 -0.22 -0.08 1.01 -1.26 -4.93 121.20 120.56 3hlx s ILE 3 Ca 0.00 1.93 -0.02 0.00 0.00 0.00 0.00 60.65 62.56 3hlx s ILE 3 Cb 0.00 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 38.08 3hlx s ILE 3 CO 0.00 0.07 -0.23 0.35 0.00 0.00 0.00 174.94 175.13 3hlx n THR 4 N 4.34 1.27 -4.23 2.92 -2.24 -1.26 -4.87 114.28 110.21 3hlx n THR 4 Ca 0.06 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 3hlx n THR 4 Cb 0.50 -1.44 -0.13 0.00 -2.10 0.00 0.00 70.33 67.15 3hlx n THR 4 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hlx s ASP 5 N -6.42 4.50 -0.15 3.42 1.01 -1.26 -4.84 116.67 112.92 3hlx s ASP 5 Ca -0.31 -0.27 -0.41 0.00 0.71 0.00 0.00 52.55 52.28 3hlx s ASP 5 Cb 0.09 -1.75 -0.18 0.00 1.01 0.00 0.00 42.92 42.09 3hlx s ASP 5 CO 0.48 0.08 1.43 0.41 0.21 0.00 0.00 175.17 177.78 3hlx n THR 6 N 4.11 0.08 -2.41 -1.27 -1.04 -1.26 -4.92 114.28 107.57 3hlx n THR 6 Ca -0.18 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.47 3hlx n THR 6 Cb 0.52 -0.65 -0.02 0.00 -1.82 0.00 0.00 70.33 68.36 3hlx n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hlx s LEU 7 N 1.69 3.84 0.93 -4.42 1.43 -1.26 -4.98 118.68 115.92 3hlx s LEU 7 Ca 0.94 2.07 -0.10 0.00 -1.03 0.00 0.00 54.13 56.01 3hlx s LEU 7 Cb -1.18 -4.51 0.16 0.00 0.03 0.00 0.00 46.19 40.68 3hlx s LEU 7 CO 0.62 -0.94 1.14 -1.54 0.23 0.00 0.00 176.35 175.85 3hlx n SER 8 N -0.99 0.23 -0.36 2.29 3.41 -1.26 -4.70 113.62 112.24 3hlx n SER 8 Ca 0.10 0.39 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 3hlx n SER 8 Cb 0.51 -1.47 0.24 0.00 -0.26 0.00 0.00 64.21 63.23 3hlx n SER 8 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hlx h PRO 9 N -1.94 0.95 -0.28 4.33 0.11 -1.93 0.11 132.00 133.34 3hlx h PRO 9 Ca -0.44 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3hlx h PRO 9 Cb 1.27 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hlx h PRO 9 CO 0.41 0.63 -0.35 -0.56 -0.21 0.00 0.00 178.00 177.93 3hlx h GLN 10 N 0.98 0.73 -0.23 1.05 -0.00 -1.97 -1.74 115.11 113.93 3hlx h GLN 10 Ca 0.50 -0.41 -0.10 0.00 -0.00 0.00 0.00 58.65 58.64 3hlx h GLN 10 Cb 0.50 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.99 3hlx h GLN 10 CO -0.27 1.03 -0.28 0.00 -0.00 0.00 0.00 178.83 179.31 3hlx h ALA 11 N 0.69 1.10 -0.60 0.06 0.00 -1.81 -2.89 119.26 115.80 3hlx h ALA 11 Ca 0.04 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3hlx h ALA 11 Cb 0.93 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hlx h ALA 11 CO 0.08 0.56 0.02 0.35 0.00 0.00 0.00 179.25 180.27 3hlx h PHE 12 N 0.39 1.12 -0.72 0.00 3.57 -0.64 -2.06 116.94 118.60 3hlx h PHE 12 Ca 0.05 -0.18 0.12 0.00 3.53 0.00 0.00 57.97 61.49 3hlx h PHE 12 Cb 0.69 -0.30 -0.08 0.00 2.79 0.00 0.00 35.95 39.05 3hlx h PHE 12 CO 0.02 0.98 0.31 1.49 -2.23 0.00 0.00 178.31 178.88 3hlx h GLU 13 N 0.95 0.48 -0.03 1.11 4.81 -1.12 -1.36 114.58 119.42 3hlx h GLU 13 Ca 0.18 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3hlx h GLU 13 Cb 0.52 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 3hlx h GLU 13 CO 0.03 0.32 -0.51 0.93 -0.73 0.00 0.00 179.01 179.04 3hlx h GLU 14 N 0.49 0.09 -0.64 1.92 4.39 -1.29 -0.94 114.58 118.61 3hlx h GLU 14 Ca 0.38 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.95 3hlx h GLU 14 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 3hlx h GLU 14 CO -0.34 0.58 0.09 0.00 -1.16 0.00 0.00 179.01 178.17 3hlx h ALA 15 N 1.41 0.95 -0.22 3.43 0.00 -0.80 -0.96 119.26 123.08 3hlx h ALA 15 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3hlx h ALA 15 Cb 0.93 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3hlx h ALA 15 CO 0.07 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.97 3hlx h LEU 16 N 0.98 0.32 -1.88 0.00 3.38 -0.97 -2.87 115.31 114.27 3hlx h LEU 16 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hlx h LEU 16 Cb 0.44 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3hlx h LEU 16 CO 0.01 0.43 -0.02 0.03 0.09 0.00 0.00 178.44 178.99 3hlx h ARG 17 N 0.18 0.05 0.00 1.13 3.08 -0.96 -2.05 114.38 115.82 3hlx h ARG 17 Ca 0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hlx h ARG 17 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3hlx h ARG 17 CO -0.00 0.07 -0.02 0.00 -1.07 0.00 0.00 179.97 178.95 3hlx h ALA 18 N 1.94 1.06 0.00 0.04 0.00 -0.94 -1.68 119.26 119.68 3hlx h ALA 18 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hlx h ALA 18 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hlx h ALA 18 CO 0.00 0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.91 3hlx n LYS 19 N -3.20 0.12 0.16 0.00 4.76 -0.77 -2.27 118.16 116.95 3hlx n LYS 19 Ca -0.02 0.42 0.11 0.00 -2.87 0.00 0.00 58.31 55.96 3hlx n LYS 19 Cb 0.18 -1.76 0.57 0.00 -1.84 0.00 0.00 35.03 32.17 3hlx n LYS 19 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hlx n GLY 20 N -0.37 -0.92 0.35 0.72 0.00 -0.63 -1.48 105.19 102.87 3hlx n GLY 20 Ca 0.02 0.18 0.18 0.00 0.00 0.00 0.00 46.02 46.40 3hlx n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hlx h ASP 21 N 0.00 0.00 -0.56 1.61 3.32 -1.69 -1.53 116.42 117.57 3hlx h ASP 21 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hlx h ASP 21 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hlx h ASP 21 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3hlx n PHE 22 N -4.02 1.11 -1.65 4.55 3.72 -0.55 -4.97 117.46 115.65 3hlx n PHE 22 Ca 0.05 -0.60 -0.34 0.00 -0.05 0.00 0.00 57.45 56.52 3hlx n PHE 22 Cb 0.45 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.90 3hlx n PHE 22 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3hlx s TYR 23 N -1.61 2.38 -1.46 1.38 5.04 -0.58 -4.89 117.35 117.60 3hlx s TYR 23 Ca 0.44 1.57 0.13 0.00 -2.44 0.00 0.00 57.07 56.77 3hlx s TYR 23 Cb 0.27 -3.31 0.65 0.00 0.35 0.00 0.00 41.96 39.92 3hlx s TYR 23 CO 0.23 -2.08 1.31 -2.39 -1.34 0.00 0.00 175.55 171.28 3hlx n HIS 24 N -2.48 0.00 0.29 4.97 1.44 -1.26 -1.67 115.22 116.51 3hlx n HIS 24 Ca 0.12 0.00 0.19 0.00 -2.01 0.00 0.00 57.72 56.01 3hlx n HIS 24 Cb 0.51 -0.27 0.96 0.00 0.12 0.00 0.00 29.99 31.31 3hlx n HIS 24 CO 0.00 0.00 0.00 0.97 -2.81 0.00 0.00 176.34 174.50 3hlx h ILE 25 N 0.00 0.17 -0.01 0.61 2.10 -1.95 -1.96 117.51 116.47 3hlx h ILE 25 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hlx h ILE 25 Cb 0.11 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 3hlx h ILE 25 CO 0.00 0.00 -0.15 1.41 -1.08 0.00 0.00 178.15 178.33 3hlx n HIS 26 N -3.28 0.00 -2.39 2.19 8.25 -0.67 -4.50 115.22 114.82 3hlx n HIS 26 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3hlx n HIS 26 Cb 0.26 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 3hlx n HIS 26 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3hlx s HIS 27 N -2.24 3.44 0.52 4.41 5.65 -0.74 -4.92 115.29 121.42 3hlx s HIS 27 Ca 0.29 1.47 0.30 0.00 0.25 0.00 0.00 55.06 57.37 3hlx s HIS 27 Cb 0.20 -3.41 1.44 0.00 -1.18 0.00 0.00 32.58 29.63 3hlx s HIS 27 CO 0.43 -1.11 1.87 -1.35 -0.65 0.00 0.00 174.74 173.93 3hlx h PRO 28 N 5.00 0.05 -0.41 2.88 0.11 -1.91 -1.12 132.00 136.60 3hlx h PRO 28 Ca -0.45 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 3hlx h PRO 28 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3hlx h PRO 28 CO 0.73 0.03 -0.07 -0.92 -0.21 0.00 0.00 178.00 177.56 3hlx h TYR 29 N 0.05 0.86 -0.28 0.65 3.20 -1.92 -0.20 116.97 119.33 3hlx h TYR 29 Ca 0.45 -0.18 -0.14 0.00 3.14 0.00 0.00 58.73 62.00 3hlx h TYR 29 Cb 1.71 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 3hlx h TYR 29 CO -0.00 0.88 -0.37 0.45 -1.64 0.00 0.00 178.16 177.49 3hlx h HIS 30 N 0.60 0.92 -0.84 -3.82 3.86 -1.53 -2.55 115.15 111.78 3hlx h HIS 30 Ca 0.11 -0.30 0.05 0.00 -1.16 0.00 0.00 60.37 59.07 3hlx h HIS 30 Cb 0.59 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 3hlx h HIS 30 CO 0.05 1.07 0.53 0.82 0.86 0.00 0.00 177.93 181.26 3hlx h ILE 31 N 0.50 1.08 -0.62 2.45 2.04 -1.10 0.36 117.51 122.22 3hlx h ILE 31 Ca 0.03 -0.34 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 3hlx h ILE 31 Cb 0.95 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3hlx h ILE 31 CO 0.09 0.18 0.19 0.00 0.00 0.00 0.00 178.15 178.61 3hlx h ALA 32 N 1.38 0.81 -0.35 1.87 0.00 -0.97 -0.23 119.26 121.77 3hlx h ALA 32 Ca 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hlx h ALA 32 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hlx h ALA 32 CO -0.15 0.48 0.14 0.52 0.00 0.00 0.00 179.25 180.24 3hlx h MET 33 N 0.89 0.53 -0.53 0.00 2.86 -1.01 0.16 114.93 117.81 3hlx h MET 33 Ca 0.20 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3hlx h MET 33 Cb 0.29 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3hlx h MET 33 CO -0.01 0.51 0.17 1.25 1.06 0.00 0.00 176.91 179.89 3hlx h HIS 34 N 0.42 0.80 -0.28 -0.22 6.17 -0.50 -2.71 115.15 118.84 3hlx h HIS 34 Ca 0.12 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 3hlx h HIS 34 Cb 0.18 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 29.87 3hlx h HIS 34 CO -0.00 0.65 0.00 0.27 0.71 0.00 0.00 177.93 179.56 3hlx n ASN 35 N -4.30 2.28 0.00 3.26 0.23 -0.14 -4.86 115.26 111.72 3hlx n ASN 35 Ca 0.04 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.25 3hlx n ASN 35 Cb 0.19 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 3hlx n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hlx n GLY 36 N 1.24 0.61 0.86 4.83 0.00 -1.02 -4.96 105.19 106.76 3hlx n GLY 36 Ca 0.17 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.82 3hlx n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hlx n ASN 37 N 0.82 2.98 -4.82 1.61 5.03 0.01 -4.98 115.26 115.92 3hlx n ASN 37 Ca 0.00 -1.87 -0.34 0.00 0.87 0.00 0.00 54.58 53.24 3hlx n ASN 37 Cb 0.00 -0.19 -0.07 0.00 -1.02 0.00 0.00 39.78 38.50 3hlx n ASN 37 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3hlx s ALA 38 N -1.21 3.18 0.49 5.41 0.00 -1.02 -4.91 121.76 123.71 3hlx s ALA 38 Ca 0.29 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.48 3hlx s ALA 38 Cb 0.17 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.19 3hlx s ALA 38 CO 0.23 0.20 0.87 0.95 0.00 0.00 0.00 175.76 178.02 3hlx s THR 39 N -1.93 4.76 0.25 0.00 -4.23 -1.26 -4.94 115.64 108.29 3hlx s THR 39 Ca 0.55 0.66 -0.04 0.00 -1.18 0.00 0.00 61.69 61.69 3hlx s THR 39 Cb -0.12 -3.80 0.25 0.00 1.34 0.00 0.00 72.50 70.16 3hlx s THR 39 CO 0.17 -0.78 1.68 -0.09 -0.54 0.00 0.00 174.62 175.06 3hlx h ARG 40 N 0.55 0.26 -0.77 3.99 2.43 -1.99 -0.54 114.38 118.32 3hlx h ARG 40 Ca -0.46 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3hlx h ARG 40 Cb 1.19 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3hlx h ARG 40 CO 0.62 0.17 0.42 1.49 -1.51 0.00 0.00 179.97 181.17 3hlx h GLU 41 N 0.27 1.07 -0.57 0.20 4.81 -1.98 0.67 114.58 119.05 3hlx h GLU 41 Ca 0.44 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3hlx h GLU 41 Cb 0.77 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3hlx h GLU 41 CO -0.53 0.80 0.08 1.96 -0.73 0.00 0.00 179.01 180.58 3hlx h GLN 42 N 1.06 0.92 -0.03 1.92 4.20 -1.66 -0.22 115.11 121.31 3hlx h GLN 42 Ca 0.27 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3hlx h GLN 42 Cb 0.04 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3hlx h GLN 42 CO -0.04 0.87 -0.01 0.82 -0.67 0.00 0.00 178.83 179.79 3hlx h ILE 43 N 0.87 1.32 -0.70 2.54 2.04 -0.73 -1.51 117.51 121.34 3hlx h ILE 43 Ca 0.18 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.09 3hlx h ILE 43 Cb 0.41 1.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.37 3hlx h ILE 43 CO 0.01 0.26 0.43 1.56 0.00 0.00 0.00 178.15 180.41 3hlx h GLN 44 N -0.34 0.80 -0.60 2.37 4.20 -0.83 -0.78 115.11 119.93 3hlx h GLN 44 Ca 0.01 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3hlx h GLN 44 Cb 0.43 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 3hlx h GLN 44 CO 0.00 0.53 0.11 0.78 -0.67 0.00 0.00 178.83 179.58 3hlx h GLY 45 N 0.82 1.02 0.92 3.46 0.00 -1.02 -0.65 103.07 107.63 3hlx h GLY 45 Ca 0.29 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hlx h GLY 45 CO -0.13 0.59 0.07 -0.25 0.00 0.00 0.00 176.54 176.82 3hlx h TRP 46 N 0.90 0.20 -0.75 5.60 7.01 -0.89 -1.05 115.95 126.96 3hlx h TRP 46 Ca 0.19 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 3hlx h TRP 46 Cb 0.37 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.33 3hlx h TRP 46 CO 0.02 0.23 0.45 0.28 -2.79 0.00 0.00 178.44 176.63 3hlx h VAL 47 N 0.11 1.21 -0.35 2.65 2.07 -0.89 0.11 116.25 121.17 3hlx h VAL 47 Ca 0.05 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 3hlx h VAL 47 Cb 0.10 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3hlx h VAL 47 CO -0.01 0.22 -0.17 0.00 0.02 0.00 0.00 177.57 177.64 3hlx h ALA 48 N 1.24 0.49 -0.11 1.67 0.00 -1.04 -2.21 119.26 119.29 3hlx h ALA 48 Ca 0.27 -0.35 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 3hlx h ALA 48 Cb -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hlx h ALA 48 CO -0.05 0.41 -0.84 -0.91 0.00 0.00 0.00 179.25 177.86 3hlx h ASN 49 N 0.51 0.90 0.40 0.00 2.35 -1.08 -3.12 115.58 115.54 3hlx h ASN 49 Ca 0.08 -0.62 -0.02 0.00 -0.55 0.00 0.00 56.30 55.19 3hlx h ASN 49 Cb 0.71 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 3hlx h ASN 49 CO 0.05 1.42 -0.09 0.03 -1.65 0.00 0.00 177.43 177.19 3hlx h ARG 50 N 0.48 0.00 -0.52 0.81 2.47 -0.77 -1.54 114.38 115.32 3hlx h ARG 50 Ca -0.07 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.72 3hlx h ARG 50 Cb 1.47 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.76 3hlx h ARG 50 CO 0.17 0.09 0.35 0.35 0.56 0.00 0.00 179.97 181.49 3hlx h PHE 51 N 0.00 0.42 -0.52 3.04 3.57 -1.32 -0.77 116.94 121.36 3hlx h PHE 51 Ca -0.00 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3hlx h PHE 51 Cb 0.32 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3hlx h PHE 51 CO 0.00 0.22 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.34 3hlx h TYR 52 N 0.41 0.98 -0.21 0.41 3.20 -1.40 -0.63 116.97 119.72 3hlx h TYR 52 Ca 0.23 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3hlx h TYR 52 Cb 0.38 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3hlx h TYR 52 CO -0.00 0.90 0.08 -0.92 -1.64 0.00 0.00 178.16 176.58 3hlx h TYR 53 N 0.82 0.33 -0.86 -3.82 3.20 -1.36 -2.64 116.97 112.65 3hlx h TYR 53 Ca 0.15 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.01 3hlx h TYR 53 Cb 0.54 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 3hlx h TYR 53 CO 0.03 0.37 0.56 1.96 -1.64 0.00 0.00 178.16 179.44 3hlx h GLN 54 N 0.19 1.09 0.00 1.82 1.08 -0.88 -1.33 115.11 117.09 3hlx h GLN 54 Ca 0.07 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3hlx h GLN 54 Cb 0.18 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 3hlx h GLN 54 CO -0.01 0.72 0.00 0.25 -0.95 0.00 0.00 178.83 178.85 3hlx n THR 55 N -4.51 0.67 0.12 -0.54 -2.24 -0.27 -2.92 114.28 104.59 3hlx n THR 55 Ca 0.10 -0.05 0.06 0.00 -2.27 0.00 0.00 64.05 61.89 3hlx n THR 55 Cb 0.04 -0.82 0.02 0.00 -2.10 0.00 0.00 70.33 67.48 3hlx n THR 55 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hlx h THR 56 N 0.00 0.35 0.17 4.28 2.02 -0.88 -3.39 112.91 115.45 3hlx h THR 56 Ca 0.00 -1.56 0.01 0.00 0.77 0.00 0.00 66.41 65.63 3hlx h THR 56 Cb 0.56 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3hlx h THR 56 CO 0.00 0.20 -0.27 0.40 0.37 0.00 0.00 175.52 176.22 3hlx h ILE 57 N 0.00 0.41 -0.08 3.11 1.08 -1.25 -0.23 117.51 120.56 3hlx h ILE 57 Ca -0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.42 3hlx h ILE 57 Cb 1.25 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.40 3hlx h ILE 57 CO 0.03 0.00 -0.00 1.55 -0.69 0.00 0.00 178.15 179.04 3hlx h PRO 58 N -0.51 0.10 -0.17 2.37 0.13 -1.76 -0.08 132.00 132.08 3hlx h PRO 58 Ca 0.02 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 3hlx h PRO 58 Cb 0.52 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 3hlx h PRO 58 CO -0.12 0.12 0.07 -0.07 -0.23 0.00 0.00 178.00 177.76 3hlx h LEU 59 N 0.11 0.23 -0.79 1.56 3.38 -1.43 -0.76 115.31 117.61 3hlx h LEU 59 Ca 0.03 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3hlx h LEU 59 Cb 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3hlx h LEU 59 CO 0.00 0.33 -0.23 0.07 0.09 0.00 0.00 178.44 178.70 3hlx h LYS 60 N 0.12 0.66 -0.36 1.13 5.09 -0.73 -0.57 116.57 121.91 3hlx h LYS 60 Ca 0.06 -0.26 -0.13 0.00 0.09 0.00 0.00 60.65 60.41 3hlx h LYS 60 Cb 0.17 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 32.45 3hlx h LYS 60 CO -0.00 0.83 -0.29 -0.44 -2.09 0.00 0.00 179.45 177.46 3hlx h ASP 61 N 0.58 0.80 -0.59 7.07 3.32 -0.95 -1.48 116.42 125.17 3hlx h ASP 61 Ca 0.08 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.78 3hlx h ASP 61 Cb 0.70 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3hlx h ASP 61 CO 0.05 1.04 0.23 0.00 -1.72 0.00 0.00 179.24 178.84 3hlx h ALA 62 N 1.01 1.22 -0.71 3.45 0.00 -0.98 -1.51 119.26 121.75 3hlx h ALA 62 Ca 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hlx h ALA 62 Cb 0.82 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hlx h ALA 62 CO 0.07 0.56 0.37 0.00 0.00 0.00 0.00 179.25 180.25 3hlx h ALA 63 N 1.34 0.91 -0.18 0.00 0.00 -0.71 -0.57 119.26 120.05 3hlx h ALA 63 Ca 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hlx h ALA 63 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hlx h ALA 63 CO -0.01 0.44 0.11 0.82 0.00 0.00 0.00 179.25 180.60 3hlx h ILE 64 N 0.98 1.03 -0.70 0.00 2.04 -1.03 -2.89 117.51 116.93 3hlx h ILE 64 Ca 0.25 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 3hlx h ILE 64 Cb 0.07 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3hlx h ILE 64 CO -0.04 0.04 0.44 0.24 0.00 0.00 0.00 178.15 178.83 3hlx h MET 65 N 0.22 0.94 0.00 2.37 2.86 -0.89 -1.87 114.93 118.56 3hlx h MET 65 Ca 0.07 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3hlx h MET 65 Cb -0.01 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.44 3hlx h MET 65 CO -0.02 0.65 -0.06 0.00 1.06 0.00 0.00 176.91 178.54 3hlx h ALA 66 N 1.52 1.29 -0.39 6.32 0.00 -0.93 -2.01 119.26 125.07 3hlx h ALA 66 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hlx h ALA 66 Cb -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hlx h ALA 66 CO -0.05 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.36 3hlx n ASN 67 N -3.58 3.34 -4.09 0.00 3.02 -0.74 -4.89 115.26 108.32 3hlx n ASN 67 Ca -0.02 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.21 3hlx n ASN 67 Cb 0.17 -0.25 -0.13 0.00 -0.61 0.00 0.00 39.78 38.96 3hlx n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hlx n PRO 69 N 4.48 0.77 -3.11 0.00 -0.02 -1.26 -4.73 135.00 131.14 3hlx n PRO 69 Ca -0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.04 3hlx n PRO 69 Cb 0.41 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.47 3hlx n PRO 69 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hlx s ASP 70 N -1.79 6.27 0.35 2.55 2.15 -1.26 -4.96 116.67 119.98 3hlx s ASP 70 Ca 0.27 -0.67 0.02 0.00 0.43 0.00 0.00 52.55 52.60 3hlx s ASP 70 Cb 0.12 -2.32 0.64 0.00 -0.30 0.00 0.00 42.92 41.07 3hlx s ASP 70 CO 0.21 -0.90 2.01 0.00 -0.17 0.00 0.00 175.17 176.32 3hlx h ALA 71 N 9.00 1.54 -0.13 3.66 0.00 -2.00 -1.96 119.26 129.37 3hlx h ALA 71 Ca -0.27 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3hlx h ALA 71 Cb 1.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3hlx h ALA 71 CO 0.96 0.42 -0.06 0.37 0.00 0.00 0.00 179.25 180.94 3hlx h GLN 72 N 0.84 -0.04 -0.57 0.00 4.15 -1.98 -0.27 115.11 117.24 3hlx h GLN 72 Ca 0.23 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 3hlx h GLN 72 Cb -0.09 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 3hlx h GLN 72 CO -0.05 -0.03 0.23 1.15 -1.93 0.00 0.00 178.83 178.20 3hlx h THR 73 N -0.04 1.22 -0.41 2.39 2.02 -1.88 -2.84 112.91 113.38 3hlx h THR 73 Ca 0.07 -0.70 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 3hlx h THR 73 Cb 0.15 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3hlx h THR 73 CO -0.16 0.27 0.07 0.03 0.37 0.00 0.00 175.52 176.10 3hlx h ARG 74 N 0.78 0.61 -0.55 6.66 3.08 -1.05 -0.26 114.38 123.65 3hlx h ARG 74 Ca 0.19 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3hlx h ARG 74 Cb 0.20 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 3hlx h ARG 74 CO -0.02 0.59 0.32 0.00 -1.07 0.00 0.00 179.97 179.79 3hlx h ARG 75 N 0.60 0.75 0.07 0.04 3.08 -0.81 -2.09 114.38 116.01 3hlx h ARG 75 Ca 0.13 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3hlx h ARG 75 Cb 0.27 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.18 3hlx h ARG 75 CO 0.00 0.54 -0.47 0.87 -1.07 0.00 0.00 179.97 179.84 3hlx h LYS 76 N 0.76 0.20 -0.22 0.04 1.57 -1.35 -3.38 116.57 114.18 3hlx h LYS 76 Ca 0.20 -0.30 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3hlx h LYS 76 Cb -0.01 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3hlx h LYS 76 CO -0.04 1.11 0.07 2.35 -0.57 0.00 0.00 179.45 182.38 3hlx h TRP 77 N -0.56 0.30 0.00 -1.35 2.91 -0.90 -2.42 115.95 113.94 3hlx h TRP 77 Ca -0.08 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.93 3hlx h TRP 77 Cb 1.33 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.88 3hlx h TRP 77 CO 0.22 0.26 -0.03 -0.24 -1.03 0.00 0.00 178.44 177.62 3hlx h VAL 78 N 0.31 0.20 -0.01 2.65 3.04 -1.56 -1.15 116.25 119.74 3hlx h VAL 78 Ca 0.08 -0.22 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3hlx h VAL 78 Cb 0.09 1.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3hlx h VAL 78 CO -0.01 0.03 -0.01 -0.61 -1.01 0.00 0.00 177.57 175.96 3hlx h GLN 79 N 0.00 0.01 -0.61 4.17 5.75 -1.66 -1.13 115.11 121.64 3hlx h GLN 79 Ca -0.00 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3hlx h GLN 79 Cb 0.17 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3hlx h GLN 79 CO 0.00 0.02 0.37 0.00 -2.65 0.00 0.00 178.83 176.58 3hlx h ARG 80 N 0.01 0.84 -0.31 1.69 3.08 -1.40 0.13 114.38 118.42 3hlx h ARG 80 Ca 0.00 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3hlx h ARG 80 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3hlx h ARG 80 CO 0.00 0.60 0.14 0.82 -1.07 0.00 0.00 179.97 180.47 3hlx h ILE 81 N 0.83 1.16 -0.87 2.04 2.04 -1.38 -2.68 117.51 118.65 3hlx h ILE 81 Ca 0.22 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3hlx h ILE 81 Cb -0.01 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3hlx h ILE 81 CO -0.04 0.17 0.55 -0.07 0.00 0.00 0.00 178.15 178.76 3hlx h LEU 82 N 0.36 1.03 -0.58 1.44 3.38 -1.07 0.81 115.31 120.69 3hlx h LEU 82 Ca 0.11 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3hlx h LEU 82 Cb 0.14 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hlx h LEU 82 CO -0.01 0.77 0.35 0.44 0.09 0.00 0.00 178.44 180.08 3hlx h ASP 83 N 1.19 0.57 0.10 -0.43 3.32 -0.62 1.00 116.42 121.55 3hlx h ASP 83 Ca 0.32 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.20 3hlx h ASP 83 Cb -0.08 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 39.37 3hlx h ASP 83 CO -0.06 0.40 -0.75 0.45 -1.72 0.00 0.00 179.24 177.55 3hlx h HIS 84 N 0.69 0.55 0.00 4.55 3.86 -1.23 -0.21 115.15 123.37 3hlx h HIS 84 Ca 0.24 -0.38 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 3hlx h HIS 84 Cb 0.03 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3hlx h HIS 84 CO -0.06 1.26 -0.28 -0.44 0.86 0.00 0.00 177.93 179.27 3hlx h ASP 85 N -0.31 0.00 -4.76 2.45 3.32 -0.87 -1.37 116.42 114.87 3hlx h ASP 85 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3hlx h ASP 85 Cb 1.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.10 3hlx h ASP 85 CO 0.14 0.28 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 3hlx n GLY 86 N 1.17 1.05 2.55 2.75 0.00 0.34 -4.64 105.19 108.41 3hlx n GLY 86 Ca 0.03 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.02 3hlx n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hlx s SER 87 N -0.96 1.46 -0.08 1.61 0.01 -1.26 -4.77 113.70 109.71 3hlx s SER 87 Ca 0.00 -2.31 -0.06 0.00 1.31 0.00 0.00 55.95 54.89 3hlx s SER 87 Cb 0.00 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 3hlx s SER 87 CO 0.00 -0.22 -0.14 1.41 0.41 0.00 0.00 173.24 174.70 3hlx n HIS 88 N 3.54 0.00 0.89 2.43 -0.00 -1.26 -4.55 115.22 116.27 3hlx n HIS 88 Ca 0.19 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 58.02 3hlx n HIS 88 Cb 0.45 -0.33 0.30 0.00 -0.00 0.00 0.00 29.99 30.42 3hlx n HIS 88 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hlx n GLY 89 N 2.45 0.85 0.32 -1.41 0.00 -1.26 -4.50 105.19 101.63 3hlx n GLY 89 Ca -0.16 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 3hlx n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hlx h GLU 90 N 3.18 -0.46 0.00 1.61 3.07 -1.92 -3.48 114.58 116.57 3hlx h GLU 90 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3hlx h GLU 90 Cb 0.70 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 3hlx h GLU 90 CO 0.00 -0.31 0.00 -3.47 -1.40 0.00 0.00 179.01 173.83 3hlx n ASP 91 N -4.44 0.00 0.00 1.42 2.03 -1.26 -5.03 116.55 109.26 3hlx n ASP 91 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3hlx n ASP 91 Cb 0.27 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 3hlx n ASP 91 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hlx n GLY 92 N 0.00 -1.04 0.28 0.27 0.00 -1.26 -4.10 105.19 99.34 3hlx n GLY 92 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 3hlx n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hlx h GLY 93 N 0.00 0.81 0.95 -0.02 0.00 -0.70 -1.93 103.07 102.18 3hlx h GLY 93 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3hlx h GLY 93 CO 0.00 0.55 0.12 -2.22 0.00 0.00 0.00 176.54 174.99 3hlx h ILE 94 N 0.69 1.23 -0.65 2.60 2.04 -1.53 -0.13 117.51 121.75 3hlx h ILE 94 Ca 0.12 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3hlx h ILE 94 Cb 0.55 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3hlx h ILE 94 CO 0.03 0.28 0.25 -0.33 0.00 0.00 0.00 178.15 178.38 3hlx h GLU 95 N 0.59 0.96 -0.42 2.37 4.39 -1.70 -1.61 114.58 119.15 3hlx h GLU 95 Ca 0.14 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 3hlx h GLU 95 Cb 0.29 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3hlx h GLU 95 CO -0.00 0.79 -0.06 0.00 -1.16 0.00 0.00 179.01 178.58 3hlx h ALA 96 N 1.34 1.10 -0.44 3.43 0.00 -0.96 -1.20 119.26 122.53 3hlx h ALA 96 Ca 0.22 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3hlx h ALA 96 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hlx h ALA 96 CO -0.02 0.56 -0.13 2.35 0.00 0.00 0.00 179.25 182.01 3hlx h TRP 97 N 0.67 0.91 -0.60 0.00 2.91 -0.56 -1.60 115.95 117.69 3hlx h TRP 97 Ca 0.12 -0.18 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 3hlx h TRP 97 Cb 0.50 -0.23 -0.03 0.00 -0.51 0.00 0.00 29.16 28.89 3hlx h TRP 97 CO 0.02 0.90 0.28 -0.07 -1.03 0.00 0.00 178.44 178.54 3hlx h LEU 98 N 0.74 0.77 -1.01 0.65 3.38 -0.75 -0.20 115.31 118.88 3hlx h LEU 98 Ca 0.12 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hlx h LEU 98 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3hlx h LEU 98 CO 0.04 0.66 -0.33 0.03 0.09 0.00 0.00 178.44 178.93 3hlx h ARG 99 N 0.85 0.30 -0.63 1.13 3.08 -0.78 -0.97 114.38 117.35 3hlx h ARG 99 Ca 0.21 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3hlx h ARG 99 Cb 0.11 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3hlx h ARG 99 CO -0.03 0.60 0.25 1.25 -1.07 0.00 0.00 179.97 180.98 3hlx h LEU 100 N 0.26 0.87 -0.28 3.04 5.85 -0.51 -0.49 115.31 124.05 3hlx h LEU 100 Ca 0.03 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.64 3hlx h LEU 100 Cb 0.72 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3hlx h LEU 100 CO 0.05 0.80 -0.10 1.23 -0.34 0.00 0.00 178.44 180.08 3hlx h GLY 101 N 0.88 0.15 1.62 3.75 0.00 -0.56 -1.98 103.07 106.94 3hlx h GLY 101 Ca 0.21 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3hlx h GLY 101 CO -0.02 -0.13 0.24 0.83 0.00 0.00 0.00 176.54 177.46 3hlx h GLU 102 N -0.04 0.51 0.00 4.80 5.08 -0.96 -0.17 114.58 123.79 3hlx h GLU 102 Ca 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hlx h GLU 102 Cb 0.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hlx h GLU 102 CO -0.31 0.35 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 3hlx h ALA 103 N 1.74 1.00 -0.44 3.43 0.00 -0.36 -2.63 119.26 122.00 3hlx h ALA 103 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hlx h ALA 103 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hlx h ALA 103 CO -0.03 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.55 3hlx n VAL 104 N -3.02 1.11 -0.27 0.00 0.24 -0.92 -2.40 118.33 113.08 3hlx n VAL 104 Ca 0.01 -1.06 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 3hlx n VAL 104 Cb 0.30 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 3hlx n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hlx n GLY 105 N 0.74 0.82 3.89 7.63 0.00 -0.99 -4.84 105.19 112.43 3hlx n GLY 105 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3hlx n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hlx s LEU 106 N 0.00 4.39 0.71 0.99 1.43 -0.11 -4.99 118.68 121.09 3hlx s LEU 106 Ca 0.00 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 3hlx s LEU 106 Cb 0.00 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3hlx s LEU 106 CO 0.00 0.37 1.06 -0.94 0.23 0.00 0.00 176.35 177.07 3hlx s SER 107 N -1.26 5.31 0.23 2.29 1.04 -1.26 -2.93 113.70 117.11 3hlx s SER 107 Ca 0.18 1.53 -0.07 0.00 0.48 0.00 0.00 55.95 58.08 3hlx s SER 107 Cb -0.12 -2.40 0.37 0.00 0.10 0.00 0.00 66.02 63.97 3hlx s SER 107 CO 0.08 -1.48 1.74 0.03 0.98 0.00 0.00 173.24 174.59 3hlx h ARG 108 N -0.74 0.43 -0.67 4.02 3.08 -1.95 -1.87 114.38 116.67 3hlx h ARG 108 Ca -0.44 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 3hlx h ARG 108 Cb 1.22 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 3hlx h ARG 108 CO 0.58 0.28 0.34 0.22 -1.07 0.00 0.00 179.97 180.32 3hlx h ASP 109 N 0.44 0.85 -0.82 7.04 3.58 -1.97 0.74 116.42 126.27 3hlx h ASP 109 Ca 0.36 -0.08 0.15 0.00 0.42 0.00 0.00 57.03 57.88 3hlx h ASP 109 Cb 0.50 -0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.24 3hlx h ASP 109 CO -0.35 0.71 0.40 0.44 -2.88 0.00 0.00 179.24 177.55 3hlx h ASP 110 N 0.95 0.46 0.09 2.28 3.32 -1.71 -0.32 116.42 121.49 3hlx h ASP 110 Ca 0.24 0.10 -0.15 0.00 0.02 0.00 0.00 57.03 57.23 3hlx h ASP 110 Cb 0.07 0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.66 3hlx h ASP 110 CO -0.03 0.19 -0.70 -0.07 -1.72 0.00 0.00 179.24 176.90 3hlx h LEU 111 N 0.57 0.31 -1.12 1.55 4.07 -1.25 -3.38 115.31 116.07 3hlx h LEU 111 Ca 0.45 -0.93 -0.08 0.00 0.08 0.00 0.00 57.88 57.40 3hlx h LEU 111 Cb 0.65 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 3hlx h LEU 111 CO -0.37 1.32 -0.27 -0.07 -1.08 0.00 0.00 178.44 177.97 3hlx h LEU 112 N -0.56 0.28 -2.04 1.67 3.38 -0.70 -1.59 115.31 115.75 3hlx h LEU 112 Ca -0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hlx h LEU 112 Cb 1.47 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3hlx h LEU 112 CO 0.08 0.56 -0.05 0.77 0.09 0.00 0.00 178.44 179.89 3hlx h SER 113 N 0.26 0.00 -3.96 -0.43 4.64 -1.23 -3.46 113.55 109.36 3hlx h SER 113 Ca 0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.07 3hlx h SER 113 Cb 0.61 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3hlx h SER 113 CO 0.04 0.05 -0.38 -0.62 -0.87 0.00 0.00 176.83 175.05 3hlx n GLU 114 N -3.29 -2.45 0.16 4.77 1.02 -0.60 -4.86 120.64 115.39 3hlx n GLU 114 Ca -0.01 0.64 0.05 0.00 -0.02 0.00 0.00 57.16 57.82 3hlx n GLU 114 Cb 0.22 -5.28 0.11 0.00 -0.02 0.00 0.00 31.44 26.47 3hlx n GLU 114 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 3hlx h ARG 115 N -0.18 0.00 -0.01 3.49 0.11 -1.84 -3.29 114.38 112.65 3hlx h ARG 115 Ca -0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.74 3hlx h ARG 115 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3hlx h ARG 115 CO 0.40 0.40 -0.03 0.72 0.10 0.00 0.00 179.97 181.56 3hlx n HIS 116 N -3.24 0.00 -2.40 4.08 8.25 -1.26 -4.88 115.22 115.77 3hlx n HIS 116 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 3hlx n HIS 116 Cb 0.66 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.74 3hlx n HIS 116 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hlx s VAL 117 N -2.06 4.20 0.47 1.59 1.01 -1.24 -4.79 120.40 119.59 3hlx s VAL 117 Ca 0.36 1.43 -0.22 0.00 0.00 0.00 0.00 61.98 63.55 3hlx s VAL 117 Cb 0.21 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 3hlx s VAL 117 CO 0.36 -0.24 1.13 -0.76 0.00 0.00 0.00 175.10 175.59 3hlx s LEU 118 N 3.83 3.96 0.31 3.92 1.43 -1.26 -4.87 118.68 126.00 3hlx s LEU 118 Ca 0.56 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.87 3hlx s LEU 118 Cb -0.21 -4.33 0.49 0.00 0.03 0.00 0.00 46.19 42.18 3hlx s LEU 118 CO 0.18 -0.92 1.95 1.55 0.23 0.00 0.00 176.35 179.34 3hlx h PRO 119 N 1.90 0.96 -0.07 1.29 0.13 -1.94 -0.98 132.00 133.29 3hlx h PRO 119 Ca -0.49 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 64.49 3hlx h PRO 119 Cb 1.24 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3hlx h PRO 119 CO 0.60 0.68 -0.26 0.78 -0.23 0.00 0.00 178.00 179.56 3hlx h GLY 120 N 1.01 0.13 0.69 1.56 0.00 -1.95 0.13 103.07 104.64 3hlx h GLY 120 Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 3hlx h GLY 120 CO -0.05 0.09 -0.03 -2.08 0.00 0.00 0.00 176.54 174.47 3hlx h VAL 121 N 0.11 1.31 -0.55 4.60 2.07 -1.62 -2.84 116.25 119.33 3hlx h VAL 121 Ca 0.02 -1.00 0.10 0.00 0.82 0.00 0.00 66.70 66.64 3hlx h VAL 121 Cb 0.53 1.79 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 3hlx h VAL 121 CO 0.04 0.28 0.08 -0.09 0.02 0.00 0.00 177.57 177.90 3hlx h ARG 122 N -0.17 0.20 -0.20 1.57 2.43 -0.99 -0.54 114.38 116.68 3hlx h ARG 122 Ca 0.02 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 3hlx h ARG 122 Cb 0.46 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3hlx h ARG 122 CO 0.01 0.13 -0.37 0.74 -1.51 0.00 0.00 179.97 178.98 3hlx h PHE 123 N 0.21 0.51 -0.15 2.20 0.04 -1.02 0.43 116.94 119.15 3hlx h PHE 123 Ca 0.28 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 3hlx h PHE 123 Cb 0.41 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.44 3hlx h PHE 123 CO -0.26 0.75 -0.06 0.00 -0.60 0.00 0.00 178.31 178.13 3hlx h ALA 124 N 1.24 0.21 -0.51 2.45 0.00 -1.20 -1.93 119.26 119.52 3hlx h ALA 124 Ca 0.04 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3hlx h ALA 124 Cb 0.82 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3hlx h ALA 124 CO 0.07 0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.53 3hlx h VAL 125 N -0.02 1.26 -0.32 0.00 2.07 -1.01 -2.54 116.25 115.69 3hlx h VAL 125 Ca 0.03 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 3hlx h VAL 125 Cb 0.53 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3hlx h VAL 125 CO 0.02 0.41 -0.02 0.44 0.02 0.00 0.00 177.57 178.44 3hlx h ASP 126 N 0.82 0.47 -0.59 0.57 3.32 -0.90 -1.18 116.42 118.93 3hlx h ASP 126 Ca 0.14 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3hlx h ASP 126 Cb 0.59 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3hlx h ASP 126 CO 0.04 0.55 0.39 0.00 -1.72 0.00 0.00 179.24 178.50 3hlx h ALA 127 N 1.51 1.59 -0.19 3.45 0.00 -0.91 0.11 119.26 124.82 3hlx h ALA 127 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3hlx h ALA 127 Cb 0.34 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3hlx h ALA 127 CO 0.01 0.37 0.03 -0.92 0.00 0.00 0.00 179.25 178.74 3hlx h TYR 128 N 0.79 0.33 -0.57 0.00 3.20 -1.10 -1.73 116.97 117.88 3hlx h TYR 128 Ca 0.22 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3hlx h TYR 128 Cb -0.07 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3hlx h TYR 128 CO -0.00 0.47 0.36 1.25 -1.64 0.00 0.00 178.16 178.60 3hlx h LEU 129 N 0.10 0.67 -0.54 2.82 5.85 -1.22 -1.55 115.31 121.45 3hlx h LEU 129 Ca 0.06 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3hlx h LEU 129 Cb 0.32 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3hlx h LEU 129 CO 0.00 0.51 0.35 -1.13 -0.34 0.00 0.00 178.44 177.83 3hlx h ASN 130 N 0.78 0.63 -0.38 1.25 -1.24 -0.90 -0.95 115.58 114.77 3hlx h ASN 130 Ca 0.21 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 3hlx h ASN 130 Cb -0.06 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.82 3hlx h ASN 130 CO -0.04 0.47 0.23 0.15 -1.29 0.00 0.00 177.43 176.95 3hlx h PHE 131 N 0.73 0.50 -0.55 0.67 3.57 -1.04 -2.22 116.94 118.61 3hlx h PHE 131 Ca 0.20 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3hlx h PHE 131 Cb -0.06 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3hlx h PHE 131 CO -0.03 0.36 0.36 0.00 -2.23 0.00 0.00 178.31 176.77 3hlx h ALA 132 N 1.10 1.83 -0.10 2.41 0.00 -0.87 0.81 119.26 124.44 3hlx h ALA 132 Ca 0.14 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3hlx h ALA 132 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hlx h ALA 132 CO -0.03 0.08 -0.66 0.00 0.00 0.00 0.00 179.25 178.65 3hlx h ARG 133 N 0.53 0.40 0.00 0.00 3.08 -0.85 -3.38 114.38 114.16 3hlx h ARG 133 Ca 0.23 -0.30 -0.27 0.00 0.07 0.00 0.00 59.98 59.72 3hlx h ARG 133 Cb 0.25 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 3hlx h ARG 133 CO -0.06 0.92 -2.09 0.54 -1.07 0.00 0.00 179.97 178.21 3hlx n ARG 134 N -3.88 1.23 -1.79 0.04 1.74 -0.86 -5.00 116.66 108.13 3hlx n ARG 134 Ca -0.04 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.71 3hlx n ARG 134 Cb 0.66 -1.42 0.02 0.00 -1.02 0.00 0.00 32.46 30.70 3hlx n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hlx s ALA 135 N -2.49 2.99 0.55 7.54 0.00 0.23 -5.00 121.76 125.58 3hlx s ALA 135 Ca -0.08 -0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 3hlx s ALA 135 Cb 0.06 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 3hlx s ALA 135 CO 0.68 -0.83 1.26 0.00 0.00 0.00 0.00 175.76 176.86 3hlx h TRP 137 N 1.21 1.00 -0.35 0.00 5.08 -1.90 -1.73 115.95 119.26 3hlx h TRP 137 Ca -0.50 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.48 3hlx h TRP 137 Cb 1.32 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 27.15 3hlx h TRP 137 CO 0.43 0.41 0.14 1.96 -1.28 0.00 0.00 178.44 180.10 3hlx h GLN 138 N 0.88 0.52 -0.49 0.12 7.50 -1.94 0.15 115.11 121.86 3hlx h GLN 138 Ca 0.46 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 59.49 3hlx h GLN 138 Cb 0.53 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 3hlx h GLN 138 CO -0.22 0.51 0.22 0.93 -1.50 0.00 0.00 178.83 178.77 3hlx h GLU 139 N 0.42 0.72 -0.46 1.46 5.08 -1.82 -1.38 114.58 118.60 3hlx h GLU 139 Ca 0.12 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3hlx h GLU 139 Cb 0.18 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3hlx h GLU 139 CO -0.01 0.62 -0.10 0.00 -1.00 0.00 0.00 179.01 178.52 3hlx h ALA 140 N 1.06 0.63 -0.72 3.43 0.00 -1.19 -2.61 119.26 119.86 3hlx h ALA 140 Ca 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hlx h ALA 140 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hlx h ALA 140 CO -0.02 0.51 0.40 0.00 0.00 0.00 0.00 179.25 180.14 3hlx h ALA 141 N 0.88 0.92 0.00 0.00 0.00 -0.60 -2.93 119.26 117.53 3hlx h ALA 141 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hlx h ALA 141 Cb 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hlx h ALA 141 CO 0.04 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3hlx n SER 143 N -2.58 0.00 0.12 0.00 3.41 -1.00 -1.71 113.62 111.85 3hlx n SER 143 Ca 0.03 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.91 3hlx n SER 143 Cb 0.37 -0.31 0.48 0.00 -0.26 0.00 0.00 64.21 64.48 3hlx n SER 143 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3hlx n SER 144 N -1.31 0.59 0.00 4.04 3.41 -0.99 -4.19 113.62 115.16 3hlx n SER 144 Ca 0.06 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 3hlx n SER 144 Cb 0.11 -0.78 0.73 0.00 -0.26 0.00 0.00 64.21 64.01 3hlx n SER 144 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hlx n LEU 145 N -2.16 0.00 0.34 1.04 4.77 -0.70 -1.15 117.00 119.14 3hlx n LEU 145 Ca 0.02 0.01 0.21 0.00 -0.03 0.00 0.00 56.01 56.22 3hlx n LEU 145 Cb 0.20 -0.01 1.13 0.00 -2.33 0.00 0.00 43.42 42.41 3hlx n LEU 145 CO 0.18 -0.00 1.17 0.71 -1.33 0.00 0.00 177.39 178.12 3hlx h THR 146 N 0.00 0.02 -0.12 -5.08 1.35 -1.85 -1.70 112.91 105.53 3hlx h THR 146 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.90 3hlx h THR 146 Cb 0.00 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3hlx h THR 146 CO 0.00 0.00 0.34 -0.33 -0.25 0.00 0.00 175.52 175.28 3hlx h GLU 147 N 0.00 0.00 -0.81 4.72 5.08 -1.49 -0.54 114.58 121.54 3hlx h GLU 147 Ca 0.00 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 3hlx h GLU 147 Cb 0.15 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3hlx h GLU 147 CO -0.00 0.00 0.54 -0.07 -1.00 0.00 0.00 179.01 178.48 3hlx h LEU 148 N 0.00 0.37 -0.37 1.33 3.38 -1.56 -2.77 115.31 115.69 3hlx h LEU 148 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hlx h LEU 148 Cb 0.73 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hlx h LEU 148 CO -0.00 0.17 -0.66 0.49 0.09 0.00 0.00 178.44 178.53 3hlx n PHE 149 N -4.48 0.00 0.04 1.13 3.72 -0.21 -4.63 117.46 113.03 3hlx n PHE 149 Ca 0.16 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.36 3hlx n PHE 149 Cb 0.62 -0.06 -0.12 0.00 -0.94 0.00 0.00 39.48 38.99 3hlx n PHE 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hlx h ALA 150 N 3.36 0.06 -0.97 4.37 0.00 -1.50 -3.15 119.26 121.43 3hlx h ALA 150 Ca 0.00 -0.68 0.17 0.00 0.00 0.00 0.00 54.91 54.40 3hlx h ALA 150 Cb 0.58 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 3hlx h ALA 150 CO 0.00 0.56 0.61 -1.35 0.00 0.00 0.00 179.25 179.07 3hlx h PRO 151 N 0.16 0.71 -0.86 0.00 0.11 -1.82 -0.65 132.00 129.65 3hlx h PRO 151 Ca -0.13 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 3hlx h PRO 151 Cb 1.63 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.54 3hlx h PRO 151 CO 0.18 0.47 0.51 0.37 -0.21 0.00 0.00 178.00 179.32 3hlx h GLN 152 N 0.73 1.17 -0.10 1.05 4.15 -1.87 -0.58 115.11 119.66 3hlx h GLN 152 Ca 0.52 -0.11 -0.23 0.00 0.77 0.00 0.00 58.65 59.60 3hlx h GLN 152 Cb 0.84 -0.24 0.01 0.00 0.21 0.00 0.00 27.48 28.30 3hlx h GLN 152 CO -0.29 0.83 -0.85 0.97 -1.93 0.00 0.00 178.83 177.57 3hlx h ILE 153 N 1.19 1.30 -0.50 2.39 2.10 -1.24 -1.62 117.51 121.12 3hlx h ILE 153 Ca 0.31 -2.10 -0.00 0.00 1.08 0.00 0.00 64.86 64.14 3hlx h ILE 153 Cb -0.03 2.13 -0.02 0.00 -1.09 0.00 0.00 36.82 37.80 3hlx h ILE 153 CO -0.06 0.65 0.30 0.45 -1.08 0.00 0.00 178.15 178.42 3hlx h HIS 154 N 0.44 0.66 -0.27 2.19 3.86 -1.06 -2.47 115.15 118.50 3hlx h HIS 154 Ca -0.07 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.03 3hlx h HIS 154 Cb 1.47 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.71 3hlx h HIS 154 CO 0.08 0.46 -0.28 0.37 0.86 0.00 0.00 177.93 179.42 3hlx h GLN 155 N 0.67 0.53 -0.87 2.45 5.75 -1.02 -2.21 115.11 120.41 3hlx h GLN 155 Ca 0.18 -0.22 0.06 0.00 -0.15 0.00 0.00 58.65 58.53 3hlx h GLN 155 Cb -0.01 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 3hlx h GLN 155 CO -0.03 0.76 0.57 0.66 -2.65 0.00 0.00 178.83 178.13 3hlx h SER 156 N 0.46 0.87 -0.13 -0.69 4.64 -0.86 -0.18 113.55 117.66 3hlx h SER 156 Ca 0.06 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 3hlx h SER 156 Cb 0.72 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3hlx h SER 156 CO 0.06 0.56 -0.33 0.03 -0.87 0.00 0.00 176.83 176.28 3hlx h ARG 157 N 0.99 0.45 -0.85 4.77 3.08 -1.05 -1.88 114.38 119.89 3hlx h ARG 157 Ca 0.37 -0.31 0.11 0.00 0.07 0.00 0.00 59.98 60.22 3hlx h ARG 157 Cb 0.19 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 3hlx h ARG 157 CO -0.13 0.93 0.55 -0.07 -1.07 0.00 0.00 179.97 180.18 3hlx h LEU 158 N 0.05 0.69 0.12 3.04 3.38 -1.17 -0.90 115.31 120.52 3hlx h LEU 158 Ca -0.00 0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.70 3hlx h LEU 158 Cb 0.94 -0.11 0.03 0.00 0.09 0.00 0.00 40.66 41.61 3hlx h LEU 158 CO 0.07 0.39 -1.22 0.44 0.09 0.00 0.00 178.44 178.21 3hlx h ASP 159 N 0.75 0.86 0.05 -0.43 3.32 -0.91 -3.41 116.42 116.65 3hlx h ASP 159 Ca 0.41 -0.83 -0.37 0.00 0.02 0.00 0.00 57.03 56.26 3hlx h ASP 159 Cb 0.54 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.76 3hlx h ASP 159 CO -0.17 1.60 -2.34 -1.54 -1.72 0.00 0.00 179.24 175.07 3hlx n SER 160 N -3.82 1.43 -0.25 6.45 3.41 -0.72 -4.61 113.62 115.52 3hlx n SER 160 Ca -0.14 -0.02 -0.07 0.00 -0.26 0.00 0.00 58.87 58.38 3hlx n SER 160 Cb 0.98 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.87 3hlx n SER 160 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3hlx h TRP 161 N 0.01 1.13 -0.62 7.33 4.06 -1.39 -2.92 115.95 123.56 3hlx h TRP 161 Ca -0.53 -0.12 0.02 0.00 2.06 0.00 0.00 58.89 60.32 3hlx h TRP 161 Cb 2.01 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 29.82 3hlx h TRP 161 CO 0.03 0.92 0.41 -1.35 -3.56 0.00 0.00 178.44 174.88 3hlx h PRO 162 N 1.03 0.76 -0.41 0.49 0.11 -1.81 0.28 132.00 132.44 3hlx h PRO 162 Ca 0.22 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.17 3hlx h PRO 162 Cb 0.33 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3hlx h PRO 162 CO -0.00 0.50 -0.20 1.96 -0.21 0.00 0.00 178.00 180.05 3hlx h GLN 163 N 0.78 0.87 0.00 1.05 4.20 -1.79 -3.24 115.11 116.99 3hlx h GLN 163 Ca 0.24 -0.38 -0.26 0.00 0.06 0.00 0.00 58.65 58.31 3hlx h GLN 163 Cb -0.00 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3hlx h GLN 163 CO -0.06 1.03 -1.72 0.72 -0.67 0.00 0.00 178.83 178.13 3hlx n HIS 164 N -4.21 0.85 -3.15 2.96 8.25 -0.99 -4.60 115.22 114.33 3hlx n HIS 164 Ca -0.01 0.30 -0.23 0.00 -0.26 0.00 0.00 57.72 57.52 3hlx n HIS 164 Cb 0.44 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.38 3hlx n HIS 164 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3hlx n TYR 165 N -2.94 1.65 0.26 4.41 4.01 0.94 -4.95 117.16 120.54 3hlx n TYR 165 Ca -0.17 -3.87 0.11 0.00 -0.16 0.00 0.00 57.90 53.81 3hlx n TYR 165 Cb 0.99 -0.45 0.52 0.00 -0.31 0.00 0.00 39.34 40.09 3hlx n TYR 165 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hlx n PRO 166 N 0.43 0.15 0.09 -0.72 -0.04 -1.22 -1.85 135.00 131.83 3hlx n PRO 166 Ca 0.27 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 3hlx n PRO 166 Cb 0.52 -1.89 0.45 0.00 -0.04 0.00 0.00 33.50 32.54 3hlx n PRO 166 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hlx n TRP 167 N -2.20 0.61 -2.48 0.54 4.27 -1.26 -4.73 117.44 112.20 3hlx n TRP 167 Ca 0.00 0.21 -0.43 0.00 -3.89 0.00 0.00 57.50 53.40 3hlx n TRP 167 Cb 0.11 -0.85 -0.02 0.00 -1.36 0.00 0.00 31.31 29.19 3hlx n TRP 167 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3hlx s ILE 168 N -3.17 4.37 0.64 -1.67 1.01 -0.77 -4.88 121.20 116.72 3hlx s ILE 168 Ca 0.07 1.65 -0.17 0.00 0.00 0.00 0.00 60.65 62.21 3hlx s ILE 168 Cb 0.11 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 3hlx s ILE 168 CO 0.44 -0.15 1.17 -0.54 0.00 0.00 0.00 174.94 175.85 3hlx s LYS 169 N 3.44 2.77 0.30 2.79 -0.14 -1.01 -4.90 119.74 122.99 3hlx s LYS 169 Ca 0.52 1.65 -0.00 0.00 -1.36 0.00 0.00 55.97 56.78 3hlx s LYS 169 Cb -0.20 -1.92 0.48 0.00 -1.68 0.00 0.00 37.83 34.50 3hlx s LYS 169 CO 0.13 -1.33 1.92 0.93 -0.76 0.00 0.00 175.35 176.24 3hlx h GLU 170 N 0.38 0.90 -0.07 1.68 3.07 -1.93 -0.56 114.58 118.05 3hlx h GLU 170 Ca -0.49 -0.11 0.02 0.00 -0.50 0.00 0.00 59.36 58.29 3hlx h GLU 170 Cb 1.28 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3hlx h GLU 170 CO 0.54 0.68 0.06 0.93 -1.40 0.00 0.00 179.01 179.82 3hlx h GLU 171 N 0.90 0.00 -0.24 2.33 3.07 -1.94 -2.38 114.58 116.31 3hlx h GLU 171 Ca 0.22 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.15 3hlx h GLU 171 Cb 0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 3hlx h GLU 171 CO -0.03 0.00 0.24 0.78 -1.40 0.00 0.00 179.01 178.60 3hlx h GLY 172 N 0.00 0.00 0.15 -3.84 0.00 -1.31 -2.60 103.07 95.47 3hlx h GLY 172 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3hlx h GLY 172 CO -0.00 0.00 -0.06 -1.72 0.00 0.00 0.00 176.54 174.76 3hlx n TYR 173 N -3.91 0.00 -0.24 5.60 4.01 -0.90 -4.23 117.16 117.49 3hlx n TYR 173 Ca 0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.71 3hlx n TYR 173 Cb 0.38 -0.05 0.05 0.00 -0.31 0.00 0.00 39.34 39.41 3hlx n TYR 173 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3hlx h PHE 174 N 1.43 0.91 0.00 -0.72 3.57 -1.65 -2.55 116.94 117.94 3hlx h PHE 174 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hlx h PHE 174 Cb 0.39 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3hlx h PHE 174 CO 0.00 0.63 -0.01 0.35 -2.23 0.00 0.00 178.31 177.05 3hlx h PHE 175 N 0.92 -0.02 -0.64 0.41 3.57 -1.83 -0.64 116.94 118.71 3hlx h PHE 175 Ca 0.24 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3hlx h PHE 175 Cb -0.00 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3hlx h PHE 175 CO -0.01 -0.01 0.38 0.74 -2.23 0.00 0.00 178.31 177.18 3hlx h PHE 176 N -0.02 0.84 -0.48 0.41 0.04 -1.81 -1.85 116.94 114.08 3hlx h PHE 176 Ca 0.00 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 3hlx h PHE 176 Cb 0.02 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 37.85 3hlx h PHE 176 CO -0.09 0.57 0.21 0.00 -0.60 0.00 0.00 178.31 178.41 3hlx h ARG 177 N 0.87 0.40 -0.63 1.51 3.08 -1.16 -2.90 114.38 115.54 3hlx h ARG 177 Ca 0.23 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 3hlx h ARG 177 Cb -0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3hlx h ARG 177 CO -0.04 0.26 0.35 0.66 -1.07 0.00 0.00 179.97 180.13 3hlx h SER 178 N 0.41 0.77 1.07 7.04 4.64 -0.35 -2.58 113.55 124.54 3hlx h SER 178 Ca 0.22 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3hlx h SER 178 Cb 0.18 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3hlx h SER 178 CO -0.19 0.62 0.00 0.03 -0.87 0.00 0.00 176.83 176.42 3hlx h ARG 179 N 0.88 0.00 -0.88 4.77 2.47 -1.15 -2.81 114.38 117.65 3hlx h ARG 179 Ca 0.22 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.96 3hlx h ARG 179 Cb 0.02 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.29 3hlx h ARG 179 CO -0.04 0.00 0.58 -0.07 0.56 0.00 0.00 179.97 181.01 3hlx h LEU 180 N 0.00 0.99 0.14 3.04 3.38 -1.43 -0.99 115.31 120.44 3hlx h LEU 180 Ca 0.00 -0.02 -0.36 0.00 0.09 0.00 0.00 57.88 57.59 3hlx h LEU 180 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3hlx h LEU 180 CO 0.00 0.71 -1.89 0.77 0.09 0.00 0.00 178.44 178.12 3hlx h SER 181 N 1.16 0.47 -0.46 -0.43 4.64 -1.71 -3.34 113.55 113.89 3hlx h SER 181 Ca 0.33 -0.94 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 3hlx h SER 181 Cb -0.08 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 3hlx h SER 181 CO -0.08 1.83 0.26 1.56 -0.87 0.00 0.00 176.83 179.52 3hlx h GLN 182 N 0.04 0.64 -0.54 4.77 4.20 -1.36 -1.90 115.11 120.97 3hlx h GLN 182 Ca -0.40 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.21 3hlx h GLN 182 Cb 2.03 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 29.66 3hlx h GLN 182 CO 0.11 0.50 0.19 0.00 -0.67 0.00 0.00 178.83 178.96 3hlx h ALA 183 N 1.11 1.33 -0.46 3.87 0.00 -1.38 -0.53 119.26 123.19 3hlx h ALA 183 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hlx h ALA 183 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hlx h ALA 183 CO -0.03 0.49 0.14 -0.97 0.00 0.00 0.00 179.25 178.88 3hlx h ASN 184 N 0.77 0.67 -0.53 0.00 -1.24 -1.59 -2.21 115.58 111.45 3hlx h ASN 184 Ca 0.18 -0.21 -0.12 0.00 0.71 0.00 0.00 56.30 56.87 3hlx h ASN 184 Cb 0.19 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 3hlx h ASN 184 CO -0.01 0.71 -0.12 0.03 -1.29 0.00 0.00 177.43 176.74 3hlx h ARG 185 N 0.60 1.02 -0.17 6.67 3.08 -1.03 -2.91 114.38 121.65 3hlx h ARG 185 Ca 0.15 -0.39 0.05 0.00 0.07 0.00 0.00 59.98 59.86 3hlx h ARG 185 Cb 0.28 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 3hlx h ARG 185 CO -0.00 1.07 -0.17 -0.44 -1.07 0.00 0.00 179.97 179.36 3hlx h ASP 186 N 0.89 -0.53 1.00 7.04 3.32 -0.99 -2.49 116.42 124.66 3hlx h ASP 186 Ca 0.14 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3hlx h ASP 186 Cb 0.69 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3hlx h ASP 186 CO 0.05 -0.21 0.00 -0.37 -1.72 0.00 0.00 179.24 176.99 3hlx h VAL 187 N -0.19 0.00 0.00 -1.35 -1.51 -1.37 -1.33 116.25 110.49 3hlx h VAL 187 Ca 0.11 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 3hlx h VAL 187 Cb 0.36 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 30.99 3hlx h VAL 187 CO -0.28 0.00 -0.06 -0.33 -1.23 0.00 0.00 177.57 175.66 3hlx h GLU 188 N 0.00 0.00 0.01 5.19 5.08 -1.24 -0.54 114.58 123.08 3hlx h GLU 188 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 3hlx h GLU 188 Cb 0.50 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 3hlx h GLU 188 CO 0.00 0.06 -1.79 1.58 -1.00 0.00 0.00 179.01 177.87 3hlx n HIS 189 N -3.50 0.67 -0.18 4.33 -0.00 -0.69 -3.89 115.22 111.96 3hlx n HIS 189 Ca -0.02 0.27 -0.01 0.00 0.46 0.00 0.00 57.72 58.42 3hlx n HIS 189 Cb 0.19 -1.07 0.08 0.00 -0.12 0.00 0.00 29.99 29.07 3hlx n HIS 189 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 3hlx h GLY 190 N -0.73 0.62 0.99 1.57 0.00 -1.13 -1.54 103.07 102.85 3hlx h GLY 190 Ca -0.48 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3hlx h GLY 190 CO -0.26 -0.13 0.31 1.41 0.00 0.00 0.00 176.54 177.86 3hlx h LEU 191 N 0.17 0.72 -0.62 3.11 3.38 -1.32 -0.88 115.31 119.87 3hlx h LEU 191 Ca 0.28 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3hlx h LEU 191 Cb 0.43 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3hlx h LEU 191 CO -0.42 0.61 0.38 0.00 0.09 0.00 0.00 178.44 179.10 3hlx h ALA 192 N 1.14 0.80 -0.15 1.53 0.00 -1.54 -0.83 119.26 120.22 3hlx h ALA 192 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hlx h ALA 192 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hlx h ALA 192 CO -0.03 0.13 0.05 -0.07 0.00 0.00 0.00 179.25 179.33 3hlx h LEU 193 N 0.75 0.06 -0.84 0.00 3.38 -1.20 -2.00 115.31 115.46 3hlx h LEU 193 Ca 0.25 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3hlx h LEU 193 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3hlx h LEU 193 CO -0.10 0.06 0.38 0.00 0.09 0.00 0.00 178.44 178.87 3hlx h ALA 194 N 1.09 1.09 -0.01 1.53 0.00 -0.80 -0.90 119.26 121.26 3hlx h ALA 194 Ca 0.06 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.62 3hlx h ALA 194 Cb 0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3hlx h ALA 194 CO -0.06 0.67 -0.78 0.87 0.00 0.00 0.00 179.25 179.95 3hlx h LYS 195 N 1.20 0.11 -0.17 0.00 1.57 -1.10 -0.15 116.57 118.04 3hlx h LYS 195 Ca 0.28 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3hlx h LYS 195 Cb 0.15 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3hlx h LYS 195 CO -0.03 0.84 -0.30 0.00 -0.57 0.00 0.00 179.45 179.38 3hlx h ALA 196 N 1.13 0.26 0.07 3.86 0.00 -1.15 -3.37 119.26 120.05 3hlx h ALA 196 Ca -0.02 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 3hlx h ALA 196 Cb 1.37 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.14 3hlx h ALA 196 CO 0.11 0.28 -0.79 -0.92 0.00 0.00 0.00 179.25 177.93 3hlx h TYR 197 N 0.13 0.67 -2.10 0.00 3.20 -1.11 -3.40 116.97 114.37 3hlx h TYR 197 Ca 0.01 -0.41 -0.75 0.00 3.14 0.00 0.00 58.73 60.72 3hlx h TYR 197 Cb 0.89 -0.06 -0.18 0.00 1.54 0.00 0.00 36.73 38.92 3hlx h TYR 197 CO 0.09 1.26 1.43 0.00 -1.64 0.00 0.00 178.16 179.31 3hlx n ASP 199 N 5.07 3.54 -4.03 0.00 5.75 -1.26 -4.68 116.55 120.93 3hlx n ASP 199 Ca 0.37 -2.74 -0.08 0.00 -0.01 0.00 0.00 54.79 52.32 3hlx n ASP 199 Cb 0.41 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.95 3hlx n ASP 199 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3hlx s SER 200 N -1.72 0.37 0.28 -1.12 1.04 -1.26 -5.03 113.70 106.26 3hlx s SER 200 Ca 0.36 -0.78 -0.00 0.00 0.48 0.00 0.00 55.95 56.01 3hlx s SER 200 Cb 0.28 0.18 0.50 0.00 0.10 0.00 0.00 66.02 67.07 3hlx s SER 200 CO 0.10 -0.50 1.87 0.00 0.98 0.00 0.00 173.24 175.70 3hlx h ALA 201 N 3.66 1.48 -0.48 5.32 0.00 -1.91 -0.70 119.26 126.63 3hlx h ALA 201 Ca -0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3hlx h ALA 201 Cb 1.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hlx h ALA 201 CO 0.56 0.34 0.23 1.49 0.00 0.00 0.00 179.25 181.87 3hlx h GLU 202 N 1.07 0.70 -0.07 0.00 4.81 -1.94 -0.87 114.58 118.28 3hlx h GLU 202 Ca 0.44 -0.10 -0.16 0.00 -0.13 0.00 0.00 59.36 59.41 3hlx h GLU 202 Cb 0.29 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3hlx h GLU 202 CO -0.20 0.59 -0.65 0.87 -0.73 0.00 0.00 179.01 178.90 3hlx h LYS 203 N 0.64 0.26 -0.25 1.92 1.57 -1.82 -2.08 116.57 116.80 3hlx h LYS 203 Ca 0.17 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3hlx h LYS 203 Cb 0.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3hlx h LYS 203 CO -0.02 0.82 -0.09 1.96 -0.57 0.00 0.00 179.45 181.55 3hlx h GLN 204 N 0.19 0.51 -0.58 3.15 4.20 -0.84 -1.00 115.11 120.73 3hlx h GLN 204 Ca -0.01 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 3hlx h GLN 204 Cb 1.17 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 3hlx h GLN 204 CO 0.10 0.75 0.17 -0.91 -0.67 0.00 0.00 178.83 178.27 3hlx h ASN 205 N 0.25 0.86 -0.86 1.46 2.35 -1.16 -1.60 115.58 116.88 3hlx h ASN 205 Ca 0.06 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3hlx h ASN 205 Cb 0.58 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 3hlx h ASN 205 CO 0.03 0.85 0.50 -0.09 -1.65 0.00 0.00 177.43 177.07 3hlx h ARG 206 N 0.83 1.18 -0.60 0.81 2.43 -1.26 -2.00 114.38 115.77 3hlx h ARG 206 Ca 0.19 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3hlx h ARG 206 Cb 0.31 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3hlx h ARG 206 CO -0.00 0.85 0.02 1.98 -1.51 0.00 0.00 179.97 181.30 3hlx h MET 207 N 1.19 1.04 -0.58 0.20 4.05 -0.95 -0.29 114.93 119.58 3hlx h MET 207 Ca 0.31 -0.31 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3hlx h MET 207 Cb -0.01 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 3hlx h MET 207 CO -0.05 1.01 0.24 -0.07 0.23 0.00 0.00 176.91 178.27 3hlx h LEU 208 N 0.96 0.77 -0.56 3.39 3.38 -1.01 0.10 115.31 122.33 3hlx h LEU 208 Ca 0.18 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 3hlx h LEU 208 Cb 0.52 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hlx h LEU 208 CO 0.03 0.68 -0.15 -0.08 0.09 0.00 0.00 178.44 179.01 3hlx h GLU 209 N 0.83 1.00 -0.69 1.13 4.57 -0.83 -1.28 114.58 119.31 3hlx h GLU 209 Ca 0.20 -0.39 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 3hlx h GLU 209 Cb 0.15 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 3hlx h GLU 209 CO -0.02 1.07 0.41 0.82 -1.18 0.00 0.00 179.01 180.11 3hlx h ILE 210 N 0.88 1.03 -0.19 2.32 2.04 -0.67 -0.40 117.51 122.52 3hlx h ILE 210 Ca 0.13 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 3hlx h ILE 210 Cb 0.71 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3hlx h ILE 210 CO 0.05 0.14 -0.19 0.25 0.00 0.00 0.00 178.15 178.41 3hlx h LEU 211 N 0.77 0.32 -0.39 1.44 5.85 -0.80 -1.97 115.31 120.53 3hlx h LEU 211 Ca 0.29 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3hlx h LEU 211 Cb 0.11 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3hlx h LEU 211 CO -0.15 0.53 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.87 3hlx h GLN 212 N 0.30 0.68 -0.81 1.25 5.75 -0.78 -0.83 115.11 120.68 3hlx h GLN 212 Ca 0.05 -0.22 0.14 0.00 -0.15 0.00 0.00 58.65 58.48 3hlx h GLN 212 Cb 0.51 -0.06 -0.09 0.00 1.07 0.00 0.00 27.48 28.91 3hlx h GLN 212 CO 0.03 0.78 0.38 0.35 -2.65 0.00 0.00 178.83 177.73 3hlx h PHE 213 N 0.51 0.67 -0.38 3.99 3.57 -0.67 0.25 116.94 124.87 3hlx h PHE 213 Ca 0.11 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3hlx h PHE 213 Cb 0.47 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 3hlx h PHE 213 CO 0.04 0.14 0.15 -0.22 -2.23 0.00 0.00 178.31 176.19 3hlx h LYS 214 N 0.56 0.58 -0.81 1.11 1.63 -1.00 -1.73 116.57 116.90 3hlx h LYS 214 Ca 0.44 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 3hlx h LYS 214 Cb 0.63 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 3hlx h LYS 214 CO -0.37 0.55 0.53 -0.07 -3.45 0.00 0.00 179.45 176.64 3hlx h LEU 215 N 0.48 0.92 -0.96 5.20 3.38 -0.68 -2.28 115.31 121.37 3hlx h LEU 215 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hlx h LEU 215 Cb 0.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hlx h LEU 215 CO -0.01 0.67 0.22 0.44 0.09 0.00 0.00 178.44 179.84 3hlx h ASP 216 N 1.09 0.90 0.05 -0.43 3.32 -0.52 -1.46 116.42 119.37 3hlx h ASP 216 Ca 0.30 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hlx h ASP 216 Cb -0.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 3hlx h ASP 216 CO -0.07 0.84 -0.07 0.40 -1.72 0.00 0.00 179.24 178.62 3hlx h ILE 217 N 0.95 0.83 -0.56 0.35 2.04 -0.76 -0.19 117.51 120.17 3hlx h ILE 217 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.09 3hlx h ILE 217 Cb 0.25 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3hlx h ILE 217 CO -0.01 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.42 3hlx h LEU 218 N -0.15 0.60 -0.50 1.44 3.38 -1.15 -1.53 115.31 117.40 3hlx h LEU 218 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hlx h LEU 218 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3hlx h LEU 218 CO -0.03 0.43 0.24 -0.25 0.09 0.00 0.00 178.44 178.92 3hlx h TRP 219 N 0.72 0.72 -0.47 1.13 2.91 -1.19 -2.94 115.95 116.84 3hlx h TRP 219 Ca 0.21 -0.04 -0.06 0.00 1.13 0.00 0.00 58.89 60.14 3hlx h TRP 219 Cb -0.04 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.37 3hlx h TRP 219 CO -0.05 0.57 0.04 0.77 -1.03 0.00 0.00 178.44 178.75 3hlx h SER 220 N 0.67 0.70 -0.65 2.65 0.02 -0.71 -0.85 113.55 115.38 3hlx h SER 220 Ca 0.17 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3hlx h SER 220 Cb 0.12 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.42 3hlx h SER 220 CO -0.02 0.74 0.35 0.24 -1.14 0.00 0.00 176.83 177.01 3hlx h MET 221 N 0.70 0.63 0.00 3.45 2.86 -1.12 -1.93 114.93 119.53 3hlx h MET 221 Ca 0.15 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 3hlx h MET 221 Cb 0.37 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 3hlx h MET 221 CO 0.01 0.42 -0.62 -0.07 1.06 0.00 0.00 176.91 177.71 3hlx h LEU 222 N 0.65 0.00 -0.75 1.22 3.38 -1.26 -2.51 115.31 116.04 3hlx h LEU 222 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3hlx h LEU 222 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3hlx h LEU 222 CO -0.18 0.62 0.43 0.44 0.09 0.00 0.00 178.44 179.84 3hlx h ASP 223 N 0.00 0.92 -0.69 -0.43 3.32 -0.78 0.37 116.42 119.13 3hlx h ASP 223 Ca -0.01 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3hlx h ASP 223 Cb 1.11 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3hlx h ASP 223 CO 0.08 0.74 0.24 0.00 -1.72 0.00 0.00 179.24 178.58 3hlx h ALA 224 N 1.23 0.90 -0.42 3.45 0.00 -1.09 -1.72 119.26 121.60 3hlx h ALA 224 Ca 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hlx h ALA 224 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3hlx h ALA 224 CO -0.05 0.55 0.09 0.52 0.00 0.00 0.00 179.25 180.37 3hlx h MET 225 N 1.00 0.68 -0.09 0.00 2.86 -1.18 -2.32 114.93 115.88 3hlx h MET 225 Ca 0.23 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 3hlx h MET 225 Cb 0.26 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 3hlx h MET 225 CO -0.01 0.70 -0.17 1.15 1.06 0.00 0.00 176.91 179.64 3hlx h THR 226 N 0.55 0.56 -0.58 2.22 2.02 -0.74 0.17 112.91 117.11 3hlx h THR 226 Ca 0.13 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.38 3hlx h THR 226 Cb 0.33 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 3hlx h THR 226 CO 0.00 0.00 0.26 0.24 0.37 0.00 0.00 175.52 176.39 3hlx h MET 227 N -0.24 0.47 -0.01 6.66 2.86 -1.17 -0.95 114.93 122.54 3hlx h MET 227 Ca 0.08 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3hlx h MET 227 Cb 0.36 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3hlx h MET 227 CO -0.23 0.31 -0.10 0.00 1.06 0.00 0.00 176.91 177.95 3hlx h ALA 228 N 1.35 0.03 0.00 6.32 0.00 -1.06 0.62 119.26 126.52 3hlx h ALA 228 Ca 0.27 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hlx h ALA 228 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hlx h ALA 228 CO -0.23 -0.05 -1.73 0.66 0.00 0.00 0.00 179.25 177.90 3hlx n TYR 229 N -4.65 0.00 -0.09 0.00 4.01 0.55 -4.01 117.16 112.97 3hlx n TYR 229 Ca -0.09 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.54 3hlx n TYR 229 Cb 0.40 -0.37 -0.11 0.00 -0.31 0.00 0.00 39.34 38.95 3hlx n TYR 229 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hlx n ALA 230 N -2.06 1.59 0.25 -0.72 0.00 -0.48 -4.73 120.51 114.35 3hlx n ALA 230 Ca -0.03 -0.96 0.07 0.00 0.00 0.00 0.00 53.44 52.52 3hlx n ALA 230 Cb 0.45 -0.03 0.12 0.00 0.00 0.00 0.00 19.45 19.99 3hlx n ALA 230 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hlx n LEU 231 N -2.82 2.64 -1.72 0.00 4.77 -0.49 -4.99 117.00 114.38 3hlx n LEU 231 Ca -0.30 -1.43 -0.16 0.00 -0.03 0.00 0.00 56.01 54.09 3hlx n LEU 231 Cb 0.95 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.90 3hlx n LEU 231 CO 0.27 0.57 -0.20 0.00 -1.33 0.00 0.00 177.39 176.71 3hlx n GLN 232 N 0.82 -1.25 -2.60 3.23 1.13 -1.20 -4.92 117.38 112.59 3hlx n GLN 232 Ca 0.11 0.83 -0.20 0.00 -1.94 0.00 0.00 57.00 55.80 3hlx n GLN 232 Cb 0.41 -5.18 0.01 0.00 0.11 0.00 0.00 30.24 25.59 3hlx n GLN 232 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hlx n ARG 233 N -2.54 2.44 -1.00 -1.09 1.74 0.21 -4.99 116.66 111.43 3hlx n ARG 233 Ca -0.18 -4.00 -0.30 0.00 -0.77 0.00 0.00 57.85 52.60 3hlx n ARG 233 Cb 0.62 -1.84 0.16 0.00 -1.02 0.00 0.00 32.46 30.38 3hlx n ARG 233 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hlx s PRO 234 N -3.33 1.01 0.18 5.56 0.04 -1.23 -4.26 135.00 132.96 3hlx s PRO 234 Ca 0.40 1.04 -0.32 0.00 0.04 0.00 0.00 61.00 62.16 3hlx s PRO 234 Cb 0.42 -1.76 -0.16 0.00 0.04 0.00 0.00 34.50 33.03 3hlx s PRO 234 CO -0.09 -2.47 0.98 -2.30 0.04 0.00 0.00 177.00 173.16 3hlx n PRO 235 N -4.07 0.79 -1.45 0.56 -0.02 -1.26 -2.23 135.00 127.33 3hlx n PRO 235 Ca 0.08 0.28 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 3hlx n PRO 235 Cb 0.54 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 3hlx n PRO 235 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hlx n TYR 236 N 0.95 -0.02 0.27 6.00 4.01 -1.26 -4.81 117.16 122.30 3hlx n TYR 236 Ca 0.15 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.03 3hlx n TYR 236 Cb 0.24 -2.60 0.78 0.00 -0.31 0.00 0.00 39.34 37.45 3hlx n TYR 236 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3hlx h HIS 237 N 0.00 0.00 0.00 -0.72 2.07 -1.61 -0.40 115.15 114.48 3hlx h HIS 237 Ca -0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 3hlx h HIS 237 Cb 0.96 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.94 3hlx h HIS 237 CO 0.41 0.08 0.00 1.79 -3.07 0.00 0.00 177.93 177.14 3hlx h THR 238 N 0.00 0.00 0.00 6.12 1.35 -1.90 -3.36 112.91 115.12 3hlx h THR 238 Ca -0.00 -0.52 -0.19 0.00 -0.55 0.00 0.00 66.41 65.15 3hlx h THR 238 Cb 0.24 1.44 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 3hlx h THR 238 CO 0.01 0.00 -1.73 0.52 -0.25 0.00 0.00 175.52 174.07 3hlx n VAL 239 N -2.67 0.73 -3.65 6.82 0.31 -0.30 -5.08 118.33 114.49 3hlx n VAL 239 Ca 0.03 -0.34 -0.12 0.00 -0.01 0.00 0.00 64.34 63.89 3hlx n VAL 239 Cb 0.36 -0.87 -0.06 0.00 -0.91 0.00 0.00 33.84 32.36 3hlx n VAL 239 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3hlx s THR 240 N -2.26 0.06 -2.02 2.52 -1.32 -0.40 -5.04 115.64 107.18 3hlx s THR 240 Ca -0.13 -0.49 0.23 0.00 -1.21 0.00 0.00 61.69 60.09 3hlx s THR 240 Cb 0.04 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 70.04 3hlx s THR 240 CO 0.35 -0.27 1.16 -0.90 -2.21 0.00 0.00 174.62 172.74 3hlx n ASP 241 N 0.27 1.92 -4.95 8.08 5.68 -1.26 -4.21 116.55 122.08 3hlx n ASP 241 Ca -0.18 -1.45 -0.23 0.00 -0.50 0.00 0.00 54.79 52.44 3hlx n ASP 241 Cb 0.61 0.42 -0.02 0.00 -1.14 0.00 0.00 41.12 41.00 3hlx n ASP 241 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hlx s LYS 242 N -2.47 3.47 0.02 0.11 -0.14 -1.26 -5.07 119.74 114.39 3hlx s LYS 242 Ca 0.20 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 53.97 3hlx s LYS 242 Cb 0.18 -2.78 -0.06 0.00 -1.68 0.00 0.00 37.83 33.50 3hlx s LYS 242 CO 0.56 0.29 1.40 0.00 -0.76 0.00 0.00 175.35 176.84 3hlx s ALA 243 N -2.13 3.58 0.00 5.17 0.00 -1.26 -4.90 121.76 122.21 3hlx s ALA 243 Ca 0.37 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.24 3hlx s ALA 243 Cb -0.09 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3hlx s ALA 243 CO 0.32 -0.87 0.42 0.00 0.00 0.00 0.00 175.76 175.63 3hlx n ALA 244 N 5.19 1.77 -1.51 0.00 0.00 -1.26 -5.08 120.51 119.62 3hlx n ALA 244 Ca 0.13 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.85 3hlx n ALA 244 Cb 0.43 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.97 3hlx n ALA 244 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 3hlx s TRP 245 N -0.09 2.83 0.55 0.00 -2.14 -1.26 -5.02 118.94 113.81 3hlx s TRP 245 Ca 0.00 1.24 -0.19 0.00 2.66 0.00 0.00 56.10 59.81 3hlx s TRP 245 Cb 0.00 -3.07 -0.05 0.00 -3.10 0.00 0.00 33.47 27.25 3hlx s TRP 245 CO 0.00 -1.72 1.13 -3.38 -2.66 0.00 0.00 176.95 170.33 3hlx s HIS 246 N -3.10 2.65 -0.05 1.66 -3.43 -1.26 -4.97 115.29 106.78 3hlx s HIS 246 Ca 0.60 1.54 0.08 0.00 -0.80 0.00 0.00 55.06 56.48 3hlx s HIS 246 Cb -0.15 -3.30 0.12 0.00 -1.43 0.00 0.00 32.58 27.83 3hlx s HIS 246 CO 0.55 -1.63 1.03 0.25 -2.00 0.00 0.00 174.74 172.94 3hlx n THR 247 N -1.40 0.84 -4.90 -5.38 -2.24 -1.26 -4.87 114.28 95.06 3hlx n THR 247 Ca 0.12 -0.99 -0.28 0.00 -2.27 0.00 0.00 64.05 60.63 3hlx n THR 247 Cb 0.51 0.22 -0.16 0.00 -2.10 0.00 0.00 70.33 68.80 3hlx n THR 247 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hlx s THR 248 N -1.25 1.56 -1.17 4.28 2.01 -1.26 -4.82 115.64 115.00 3hlx s THR 248 Ca 0.13 -0.76 -0.21 0.00 0.31 0.00 0.00 61.69 61.16 3hlx s THR 248 Cb 0.12 -1.36 -0.06 0.00 0.01 0.00 0.00 72.50 71.20 3hlx s THR 248 CO 0.01 0.45 1.90 0.54 -0.69 0.00 0.00 174.62 176.83 3hlx n ARG 249 N 3.43 1.97 -0.34 4.92 1.74 -1.26 -4.84 116.66 122.28 3hlx n ARG 249 Ca -0.20 -2.58 0.10 0.00 -0.77 0.00 0.00 57.85 54.40 3hlx n ARG 249 Cb 0.52 -3.58 0.29 0.00 -1.02 0.00 0.00 32.46 28.67 3hlx n ARG 249 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3hlx h LEU 250 N 15.98 0.84 0.00 0.55 3.38 -1.95 -0.15 115.31 133.96 3hlx h LEU 250 Ca 0.30 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3hlx h LEU 250 Cb 0.88 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3hlx h LEU 250 CO 1.38 0.41 -0.17 1.33 0.09 0.00 0.00 178.44 181.48 3hlx n VAL 251 N -4.64 0.02 -0.05 1.22 0.24 -1.26 -3.99 118.33 109.87 3hlx n VAL 251 Ca 0.20 -0.01 -0.02 0.00 -2.04 0.00 0.00 64.34 62.46 3hlx n VAL 251 Cb 0.43 -0.25 -0.12 0.00 -1.47 0.00 0.00 33.84 32.43 3hlx n VAL 251 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hlx n LEU 252 N -1.53 0.00 -3.94 1.34 4.77 -0.28 -5.01 117.00 112.35 3hlx n LEU 252 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3hlx n LEU 252 Cb 0.34 0.25 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 3hlx n LEU 252 CO 0.30 0.25 -0.37 -1.83 -1.33 0.00 0.00 177.39 174.41 3hlx s GLU 253 N -2.62 0.21 -0.03 3.23 -1.05 -0.23 -5.07 118.70 113.15 3hlx s GLU 253 Ca -0.07 -0.31 -0.25 0.00 -0.15 0.00 0.00 54.97 54.19 3hlx s GLU 253 Cb 0.06 -0.04 -0.19 0.00 -0.44 0.00 0.00 34.13 33.52 3hlx s GLU 253 CO 0.64 0.00 1.17 1.25 0.95 0.00 0.00 175.26 179.27 3hlx h HIS 254 N 5.45 -0.09 0.00 4.83 -0.00 -1.86 -3.39 115.15 120.10 3hlx h HIS 254 Ca -0.28 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 3hlx h HIS 254 Cb 1.21 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 3hlx h HIS 254 CO 0.52 0.39 0.00 -2.39 -0.00 0.00 0.00 177.93 176.45