#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6g s SER 4 N 0.00 6.23 0.00 4.39 0.15 -1.26 -4.98 113.70 118.23 3a6g s SER 4 Ca 0.00 1.17 0.26 0.00 0.70 0.00 0.00 55.95 58.08 3a6g s SER 4 Cb 0.00 -2.35 0.74 0.00 -1.71 0.00 0.00 66.02 62.70 3a6g s SER 4 CO 0.00 -0.73 1.56 1.33 1.20 0.00 0.00 173.24 176.59 3a6g n VAL 5 N -2.51 0.00 -2.77 4.45 0.24 -1.26 -4.84 118.33 111.64 3a6g n VAL 5 Ca 0.03 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 3a6g n VAL 5 Cb 0.55 0.54 -0.03 0.00 -1.47 0.00 0.00 33.84 33.42 3a6g n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3a6g s PHE 6 N -2.36 3.27 0.30 6.34 0.40 -1.26 0.59 117.98 125.25 3a6g s PHE 6 Ca 0.27 1.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.86 3a6g s PHE 6 Cb 0.20 -3.28 0.62 0.00 0.51 0.00 0.00 43.02 41.07 3a6g s PHE 6 CO 0.47 -0.52 1.84 0.28 0.70 0.00 0.00 175.22 177.99 3a6g h VAL 7 N 5.52 0.89 0.00 -0.44 2.07 -1.29 0.65 116.25 123.65 3a6g h VAL 7 Ca -0.21 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3a6g h VAL 7 Cb 1.07 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3a6g h VAL 7 CO 0.94 0.17 -0.01 1.23 0.02 0.00 0.00 177.57 179.92 3a6g h GLY 8 N 0.92 0.00 -2.11 2.17 0.00 -1.92 -1.48 103.07 100.65 3a6g h GLY 8 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3a6g h GLY 8 CO -0.26 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.46 3a6g n GLU 9 N -3.55 2.38 -4.10 4.80 1.02 0.21 -4.93 120.64 116.46 3a6g n GLU 9 Ca -0.03 -2.11 -0.23 0.00 -0.02 0.00 0.00 57.16 54.77 3a6g n GLU 9 Cb 0.09 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 3a6g n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a6g s LEU 10 N -1.24 3.83 0.58 -4.62 1.43 -0.56 -4.83 118.68 113.27 3a6g s LEU 10 Ca 0.39 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.21 3a6g s LEU 10 Cb 0.22 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3a6g s LEU 10 CO 0.29 -0.01 0.91 0.42 0.23 0.00 0.00 176.35 178.19 3a6g s THR 11 N -2.04 4.04 0.42 5.49 -4.23 -1.26 -4.92 115.64 113.14 3a6g s THR 11 Ca 0.32 0.20 0.20 0.00 -1.18 0.00 0.00 61.69 61.23 3a6g s THR 11 Cb -0.08 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 70.38 3a6g s THR 11 CO 0.25 -0.65 2.01 4.11 -0.54 0.00 0.00 174.62 179.80 3a6g h TRP 12 N -0.16 0.00 -0.36 3.99 5.08 -1.99 -2.31 115.95 120.19 3a6g h TRP 12 Ca -0.46 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.38 3a6g h TRP 12 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 3a6g h TRP 12 CO 0.52 0.18 -0.33 0.87 -1.28 0.00 0.00 178.44 178.40 3a6g h LYS 13 N 0.00 0.81 -0.33 0.12 1.79 -1.99 -0.25 116.57 116.72 3a6g h LYS 13 Ca -0.00 -0.39 -0.08 0.00 -2.18 0.00 0.00 60.65 58.00 3a6g h LYS 13 Cb 0.37 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3a6g h LYS 13 CO 0.02 1.02 -0.10 0.93 -1.08 0.00 0.00 179.45 180.24 3a6g h GLU 14 N 0.68 0.65 -0.39 3.15 5.08 -1.82 -1.75 114.58 120.17 3a6g h GLU 14 Ca 0.07 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3a6g h GLU 14 Cb 0.88 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3a6g h GLU 14 CO 0.08 0.84 0.20 -0.92 -1.00 0.00 0.00 179.01 178.20 3a6g h TYR 15 N 0.42 0.55 -0.88 4.33 3.20 -1.34 -2.11 116.97 121.15 3a6g h TYR 15 Ca 0.08 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.94 3a6g h TYR 15 Cb 0.61 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.66 3a6g h TYR 15 CO 0.05 0.45 0.58 1.49 -1.64 0.00 0.00 178.16 179.09 3a6g h GLU 16 N 0.49 1.13 -0.69 1.82 4.81 -0.95 -1.46 114.58 119.74 3a6g h GLU 16 Ca 0.13 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3a6g h GLU 16 Cb 0.10 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3a6g h GLU 16 CO -0.02 0.75 0.27 0.00 -0.73 0.00 0.00 179.01 179.28 3a6g h ALA 17 N 1.34 0.89 -0.38 2.92 0.00 -1.06 -0.38 119.26 122.59 3a6g h ALA 17 Ca 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a6g h ALA 17 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3a6g h ALA 17 CO -0.09 0.51 0.12 0.00 0.00 0.00 0.00 179.25 179.80 3a6g h ARG 18 N 0.98 0.59 -0.06 0.00 2.47 -0.80 -2.75 114.38 114.81 3a6g h ARG 18 Ca 0.23 -0.13 -0.10 0.00 -1.26 0.00 0.00 59.98 58.72 3a6g h ARG 18 Cb 0.21 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3a6g h ARG 18 CO -0.02 0.60 -0.41 0.28 0.56 0.00 0.00 179.97 180.99 3a6g h VAL 19 N 0.47 1.31 0.00 2.04 2.07 -1.14 -2.65 116.25 118.34 3a6g h VAL 19 Ca 0.12 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.17 3a6g h VAL 19 Cb 0.26 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3a6g h VAL 19 CO -0.00 0.43 0.05 0.00 0.02 0.00 0.00 177.57 178.06 3a6g h ALA 20 N 1.47 1.04 0.00 1.67 0.00 -0.76 -0.64 119.26 122.04 3a6g h ALA 20 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3a6g h ALA 20 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a6g h ALA 20 CO 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 179.25 179.22 3a6g h ALA 21 N 1.91 1.83 0.00 0.00 0.00 -1.45 -3.46 119.26 118.08 3a6g h ALA 21 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a6g h ALA 21 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a6g h ALA 21 CO 0.00 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3a6g n GLY 22 N -1.35 1.31 0.34 0.00 0.00 -0.25 -4.83 105.19 100.41 3a6g n GLY 22 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 3a6g n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a6g n ASP 23 N 0.00 0.57 -4.75 1.61 5.75 -1.26 -4.97 116.55 113.51 3a6g n ASP 23 Ca 0.00 -2.13 -0.41 0.00 -0.01 0.00 0.00 54.79 52.23 3a6g n ASP 23 Cb 0.00 -0.22 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 3a6g n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a6g s VAL 25 N 0.05 4.61 0.02 0.00 1.01 -1.26 -4.29 120.40 120.54 3a6g s VAL 25 Ca 0.62 -0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.53 3a6g s VAL 25 Cb -0.45 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 3a6g s VAL 25 CO 0.45 0.49 -0.08 -0.76 0.00 0.00 0.00 175.10 175.21 3a6g s LEU 26 N 0.12 3.13 -0.03 3.92 1.43 -0.60 -1.51 118.68 125.14 3a6g s LEU 26 Ca 0.04 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 52.99 3a6g s LEU 26 Cb -0.12 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3a6g s LEU 26 CO 0.01 0.27 -0.17 -0.04 0.23 0.00 0.00 176.35 176.64 3a6g s MET 27 N -1.54 1.64 -0.21 1.70 -1.94 0.42 -0.29 119.30 119.08 3a6g s MET 27 Ca 0.18 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.55 3a6g s MET 27 Cb -0.11 -1.48 0.05 0.00 2.01 0.00 0.00 34.83 35.30 3a6g s MET 27 CO 0.08 0.29 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.15 3a6g s LEU 28 N -0.11 2.21 0.20 -0.03 2.96 0.48 -0.10 118.68 124.30 3a6g s LEU 28 Ca -0.00 -0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 52.65 3a6g s LEU 28 Cb -0.10 -1.10 -0.08 0.00 0.50 0.00 0.00 46.19 45.40 3a6g s LEU 28 CO 0.01 -0.20 0.92 -2.16 -1.32 0.00 0.00 176.35 173.60 3a6g s PRO 29 N 1.47 4.78 -0.19 0.98 0.04 -1.26 -1.37 135.00 139.45 3a6g s PRO 29 Ca -0.03 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.45 3a6g s PRO 29 Cb -0.17 -3.30 0.04 0.00 0.04 0.00 0.00 34.50 31.11 3a6g s PRO 29 CO -0.07 0.47 -0.09 0.08 0.04 0.00 0.00 177.00 177.42 3a6g s VAL 30 N -0.94 1.55 0.00 -0.36 1.01 -0.34 -1.35 120.40 119.97 3a6g s VAL 30 Ca 0.41 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3a6g s VAL 30 Cb -0.25 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.48 3a6g s VAL 30 CO 0.31 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3a6g n GLY 31 N 4.72 4.38 3.61 4.51 0.00 -0.32 -0.81 105.19 121.28 3a6g n GLY 31 Ca -0.14 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.82 3a6g n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6g s ALA 32 N -2.00 -2.12 -0.33 4.61 0.00 -1.23 -2.99 121.76 117.71 3a6g s ALA 32 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 3a6g s ALA 32 Cb 0.00 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.37 3a6g s ALA 32 CO 0.00 -0.86 0.07 -1.17 0.00 0.00 0.00 175.76 173.80 3a6g s LEU 33 N -2.64 4.27 -0.09 0.00 2.96 -1.16 -4.13 118.68 117.89 3a6g s LEU 33 Ca 0.12 -1.37 -0.13 0.00 -0.22 0.00 0.00 54.13 52.53 3a6g s LEU 33 Cb 0.02 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.96 3a6g s LEU 33 CO -0.04 -0.33 0.33 -0.70 -1.32 0.00 0.00 176.35 174.29 3a6g s GLU 34 N 1.28 0.49 0.39 1.98 2.12 -0.47 -1.42 118.70 123.06 3a6g s GLU 34 Ca -0.02 0.25 -0.27 0.00 0.36 0.00 0.00 54.97 55.29 3a6g s GLU 34 Cb -0.20 0.23 -0.11 0.00 0.26 0.00 0.00 34.13 34.31 3a6g s GLU 34 CO -0.00 -0.09 1.32 0.00 -0.54 0.00 0.00 175.26 175.94 3a6g n GLN 35 N 2.35 2.14 -2.69 4.30 -0.00 -1.26 -4.38 117.38 117.84 3a6g n GLN 35 Ca -0.16 0.75 -0.14 0.00 -0.00 0.00 0.00 57.00 57.46 3a6g n GLN 35 Cb 0.57 -2.42 0.02 0.00 -0.00 0.00 0.00 30.24 28.40 3a6g n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3a6g n HIS 36 N 0.09 1.58 -3.65 2.61 8.25 -1.26 -4.98 115.22 117.85 3a6g n HIS 36 Ca 0.05 -3.00 0.01 0.00 -0.26 0.00 0.00 57.72 54.52 3a6g n HIS 36 Cb 0.38 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 3a6g n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6g n GLY 37 N -0.11 -1.92 0.14 -1.41 0.00 -1.25 -3.63 105.19 97.01 3a6g n GLY 37 Ca 0.17 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 44.95 3a6g n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3a6g h HIS 38 N -0.04 0.00 -0.00 1.61 3.86 -1.83 -3.37 115.15 115.38 3a6g h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3a6g h HIS 38 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3a6g h HIS 38 CO 0.00 0.00 -0.87 -2.39 0.86 0.00 0.00 177.93 175.53 3a6g n HIS 39 N -2.59 0.00 -4.22 2.45 1.44 -1.26 -4.87 115.22 106.18 3a6g n HIS 39 Ca 0.04 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.62 3a6g n HIS 39 Cb 0.49 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.49 3a6g n HIS 39 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3a6g s MET 40 N -2.88 0.96 0.92 -1.40 1.00 -1.24 -0.91 119.30 115.76 3a6g s MET 40 Ca 0.11 -1.38 -0.12 0.00 0.00 0.00 0.00 55.69 54.29 3a6g s MET 40 Cb 0.17 -0.48 0.14 0.00 0.00 0.00 0.00 34.83 34.66 3a6g s MET 40 CO 0.80 0.05 1.14 0.00 0.00 0.00 0.00 175.02 177.00 3a6g n MET 42 N -3.79 0.67 -0.45 0.00 0.00 -1.26 -4.06 117.12 108.23 3a6g n MET 42 Ca 0.07 -0.38 0.09 0.00 0.00 0.00 0.00 57.70 57.48 3a6g n MET 42 Cb 0.59 -1.49 0.30 0.00 0.00 0.00 0.00 33.22 32.62 3a6g n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3a6g n ASN 43 N -0.83 3.83 -0.28 7.83 0.23 -1.26 -1.37 115.26 123.41 3a6g n ASN 43 Ca 0.11 -2.23 0.09 0.00 -0.53 0.00 0.00 54.58 52.02 3a6g n ASN 43 Cb 0.34 -0.49 0.22 0.00 -2.08 0.00 0.00 39.78 37.77 3a6g n ASN 43 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3a6g h VAL 44 N 3.58 0.33 0.00 3.53 2.07 -1.83 0.51 116.25 124.45 3a6g h VAL 44 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3a6g h VAL 44 Cb 1.10 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3a6g h VAL 44 CO 0.12 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.21 3a6g n ASP 45 N -5.29 0.56 -0.12 0.57 8.00 -1.26 -1.46 116.55 117.54 3a6g n ASP 45 Ca 0.17 0.70 -0.25 0.00 0.71 0.00 0.00 54.79 56.12 3a6g n ASP 45 Cb 0.57 -0.80 -0.11 0.00 -0.02 0.00 0.00 41.12 40.76 3a6g n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3a6g n VAL 46 N -2.19 1.54 -0.09 2.53 0.31 0.05 -4.07 118.33 116.41 3a6g n VAL 46 Ca 0.00 -0.41 -0.06 0.00 -0.01 0.00 0.00 64.34 63.86 3a6g n VAL 46 Cb 0.12 -1.77 0.01 0.00 -0.91 0.00 0.00 33.84 31.28 3a6g n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3a6g h LEU 47 N -0.68 -0.02 0.12 7.52 3.38 -0.90 -2.18 115.31 122.55 3a6g h LEU 47 Ca -0.61 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 3a6g h LEU 47 Cb 1.68 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3a6g h LEU 47 CO -0.28 0.03 -0.06 -0.07 0.09 0.00 0.00 178.44 178.15 3a6g h LEU 48 N 0.16 -0.13 -1.33 1.67 3.38 -1.50 0.05 115.31 117.61 3a6g h LEU 48 Ca 0.15 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3a6g h LEU 48 Cb 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3a6g h LEU 48 CO -0.21 0.08 -0.33 1.55 0.09 0.00 0.00 178.44 179.62 3a6g h PRO 49 N -0.35 0.00 -0.36 1.13 0.13 -1.75 -1.19 132.00 129.62 3a6g h PRO 49 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 3a6g h PRO 49 Cb 0.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 3a6g h PRO 49 CO 0.03 0.33 -0.25 1.15 -0.23 0.00 0.00 178.00 179.02 3a6g h THR 50 N 0.00 1.28 -0.65 1.56 2.02 -1.25 0.14 112.91 116.02 3a6g h THR 50 Ca -0.00 -1.41 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 3a6g h THR 50 Cb 0.63 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 3a6g h THR 50 CO 0.04 0.46 0.10 0.00 0.37 0.00 0.00 175.52 176.49 3a6g h ALA 51 N 0.77 0.86 -0.30 6.16 0.00 -0.64 0.16 119.26 126.27 3a6g h ALA 51 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3a6g h ALA 51 Cb 0.82 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3a6g h ALA 51 CO 0.07 0.63 -0.13 0.28 0.00 0.00 0.00 179.25 180.10 3a6g h VAL 52 N 0.99 1.29 -0.50 0.00 2.07 -1.11 -2.59 116.25 116.41 3a6g h VAL 52 Ca 0.20 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3a6g h VAL 52 Cb 0.45 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3a6g h VAL 52 CO 0.01 0.39 0.30 0.00 0.02 0.00 0.00 177.57 178.30 3a6g h LYS 54 N 0.60 -0.26 -0.43 0.00 3.64 -0.87 0.18 116.57 119.43 3a6g h LYS 54 Ca 0.20 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 3a6g h LYS 54 Cb 0.01 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3a6g h LYS 54 CO -0.08 -0.17 -0.02 0.00 -2.27 0.00 0.00 179.45 176.90 3a6g h ARG 55 N -0.27 0.77 -0.25 1.90 3.08 -1.24 -1.09 114.38 117.28 3a6g h ARG 55 Ca 0.10 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3a6g h ARG 55 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3a6g h ARG 55 CO -0.28 0.85 0.11 0.28 -1.07 0.00 0.00 179.97 179.86 3a6g h VAL 56 N 0.61 1.16 -0.76 2.04 2.07 -0.87 -0.92 116.25 119.58 3a6g h VAL 56 Ca 0.12 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3a6g h VAL 56 Cb 0.52 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3a6g h VAL 56 CO 0.03 0.16 0.49 0.00 0.02 0.00 0.00 177.57 178.27 3a6g h ALA 57 N 0.95 0.97 -0.34 1.67 0.00 -0.56 0.08 119.26 122.04 3a6g h ALA 57 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3a6g h ALA 57 Cb 0.16 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a6g h ALA 57 CO -0.01 0.34 0.07 0.93 0.00 0.00 0.00 179.25 180.58 3a6g h GLU 58 N 1.00 0.56 -0.75 0.00 5.08 -1.04 0.19 114.58 119.61 3a6g h GLU 58 Ca 0.29 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3a6g h GLU 58 Cb -0.07 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3a6g h GLU 58 CO -0.08 0.63 0.30 -0.09 -1.00 0.00 0.00 179.01 178.77 3a6g h ARG 59 N 0.40 1.12 -0.03 2.33 2.43 -0.63 -3.20 114.38 116.80 3a6g h ARG 59 Ca 0.10 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3a6g h ARG 59 Cb 0.33 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3a6g h ARG 59 CO 0.00 0.92 -0.03 0.44 -1.51 0.00 0.00 179.97 179.80 3a6g n ILE 60 N -4.32 0.00 -2.55 1.20 -5.35 -0.03 -5.00 119.36 103.30 3a6g n ILE 60 Ca 0.06 -0.49 -0.02 0.00 -0.27 0.00 0.00 62.75 62.04 3a6g n ILE 60 Cb 0.18 1.45 0.01 0.00 -1.74 0.00 0.00 39.64 39.53 3a6g n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a6g n GLY 61 N 1.25 0.81 3.90 3.28 0.00 0.41 -5.04 105.19 109.79 3a6g n GLY 61 Ca 0.13 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 3a6g n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6g s ALA 62 N -2.97 4.43 0.14 4.61 0.00 0.24 -4.71 121.76 123.50 3a6g s ALA 62 Ca 0.04 -1.26 0.10 0.00 0.00 0.00 0.00 51.96 50.85 3a6g s ALA 62 Cb -0.02 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 3a6g s ALA 62 CO 0.05 -0.45 -0.25 -0.51 0.00 0.00 0.00 175.76 174.61 3a6g s LEU 63 N -4.28 2.34 -0.18 0.00 1.43 -0.57 -4.56 118.68 112.87 3a6g s LEU 63 Ca 0.34 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3a6g s LEU 63 Cb -0.02 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 45.09 3a6g s LEU 63 CO 0.21 0.13 -0.11 -0.69 0.23 0.00 0.00 176.35 176.12 3a6g s VAL 64 N -1.25 2.91 0.61 -1.59 1.01 0.20 -0.44 120.40 121.85 3a6g s VAL 64 Ca 0.14 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3a6g s VAL 64 Cb -0.09 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3a6g s VAL 64 CO 0.06 0.48 1.03 -0.04 0.00 0.00 0.00 175.10 176.63 3a6g s MET 65 N 1.08 3.60 0.34 2.72 -1.94 0.86 -0.79 119.30 125.17 3a6g s MET 65 Ca 0.00 0.79 -0.29 0.00 -1.71 0.00 0.00 55.69 54.48 3a6g s MET 65 Cb -0.15 -2.08 -0.12 0.00 2.01 0.00 0.00 34.83 34.50 3a6g s MET 65 CO -0.03 -0.57 1.44 -2.30 -0.01 0.00 0.00 175.02 173.56 3a6g n PRO 66 N -2.63 2.46 -2.31 2.03 -0.02 -1.26 -4.48 135.00 128.79 3a6g n PRO 66 Ca 0.06 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 62.08 3a6g n PRO 66 Cb 0.54 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3a6g n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a6g s GLY 67 N -0.03 2.10 -0.35 -1.23 0.00 -1.26 -4.69 107.32 101.87 3a6g s GLY 67 Ca 0.57 0.26 -0.25 0.00 0.00 0.00 0.00 44.72 45.29 3a6g s GLY 67 CO 0.59 0.55 0.90 1.08 0.00 0.00 0.00 173.10 176.22 3a6g s LEU 68 N -4.15 4.02 0.34 0.66 1.43 -0.46 -4.91 118.68 115.62 3a6g s LEU 68 Ca 0.60 0.63 0.18 0.00 -1.03 0.00 0.00 54.13 54.52 3a6g s LEU 68 Cb -0.12 -3.23 0.27 0.00 0.03 0.00 0.00 46.19 43.14 3a6g s LEU 68 CO 0.32 -0.79 1.55 1.56 0.23 0.00 0.00 176.35 179.21 3a6g h GLN 69 N 8.35 0.00 -5.86 1.70 1.08 -1.89 -0.85 115.11 117.64 3a6g h GLN 69 Ca -0.23 0.00 -0.69 0.00 -1.45 0.00 0.00 58.65 56.28 3a6g h GLN 69 Cb 1.08 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 28.21 3a6g h GLN 69 CO 0.96 0.34 -0.86 0.71 -0.95 0.00 0.00 178.83 179.03 3a6g s TYR 70 N -3.13 2.52 0.00 2.96 1.51 -1.26 -2.97 117.35 116.97 3a6g s TYR 70 Ca 0.04 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 3a6g s TYR 70 Cb 0.07 -1.64 0.00 0.00 -0.11 0.00 0.00 41.96 40.28 3a6g s TYR 70 CO 0.71 -0.21 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 3a6g n GLY 71 N 3.04 4.58 3.76 0.71 0.00 -1.16 -4.78 105.19 111.35 3a6g n GLY 71 Ca -0.18 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 3a6g n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a6g s TYR 72 N -1.02 2.48 0.12 1.61 5.04 -1.26 -0.92 117.35 123.40 3a6g s TYR 72 Ca 0.00 1.58 -0.35 0.00 -2.44 0.00 0.00 57.07 55.85 3a6g s TYR 72 Cb 0.00 -3.14 -0.16 0.00 0.35 0.00 0.00 41.96 39.00 3a6g s TYR 72 CO 0.00 -1.89 1.26 1.63 -1.34 0.00 0.00 175.55 175.21 3a6g n LYS 73 N -3.11 1.12 -1.96 4.97 5.02 -1.24 -4.74 118.16 118.21 3a6g n LYS 73 Ca 0.10 0.40 -0.41 0.00 -2.02 0.00 0.00 58.31 56.38 3a6g n LYS 73 Cb 0.52 -1.98 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 3a6g n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a6g s SER 74 N 0.28 6.59 -0.04 4.39 0.15 -1.26 -4.90 113.70 118.92 3a6g s SER 74 Ca 0.80 2.73 -0.02 0.00 0.70 0.00 0.00 55.95 60.17 3a6g s SER 74 Cb -0.92 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 60.72 3a6g s SER 74 CO 0.49 -0.74 0.07 -1.10 1.20 0.00 0.00 173.24 173.16 3a6g s GLN 75 N -0.50 3.10 0.17 5.44 -1.52 -1.26 -2.17 119.66 122.92 3a6g s GLN 75 Ca 0.60 -0.41 -0.22 0.00 -1.95 0.00 0.00 55.36 53.37 3a6g s GLN 75 Cb -0.43 -2.89 0.07 0.00 -0.22 0.00 0.00 33.01 29.54 3a6g s GLN 75 CO 0.45 0.68 1.60 0.37 -0.25 0.00 0.00 175.29 178.14 3a6g h GLN 76 N 4.49 -0.22 0.00 2.91 4.15 -1.91 0.57 115.11 125.10 3a6g h GLN 76 Ca -0.50 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.93 3a6g h GLN 76 Cb 1.19 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.93 3a6g h GLN 76 CO 0.60 -0.15 0.00 1.63 -1.93 0.00 0.00 178.83 178.98 3a6g n LYS 77 N -5.42 0.03 0.00 1.69 5.02 -1.26 -2.03 118.16 116.19 3a6g n LYS 77 Ca 0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3a6g n LYS 77 Cb 0.34 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 3a6g n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3a6g n SER 78 N -1.61 3.65 0.00 4.39 3.41 -0.80 -4.78 113.62 117.88 3a6g n SER 78 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 3a6g n SER 78 Cb 0.19 0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 3a6g n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a6g n GLY 79 N 2.05 -0.19 0.00 5.00 0.00 0.19 -4.57 105.19 107.68 3a6g n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a6g n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6g n GLY 80 N -0.04 2.99 0.00 -0.02 0.00 -0.86 -4.83 105.19 102.44 3a6g n GLY 80 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3a6g n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6g n GLY 81 N 0.00 3.45 0.95 -0.02 0.00 -1.19 -4.43 105.19 103.95 3a6g n GLY 81 Ca 0.00 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.30 3a6g n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a6g n ASN 82 N 0.00 2.55 0.01 1.61 5.15 -0.92 -3.53 115.26 120.12 3a6g n ASN 82 Ca 0.00 -2.30 0.11 0.00 -0.60 0.00 0.00 54.58 51.79 3a6g n ASN 82 Cb 0.00 -0.54 0.02 0.00 -0.53 0.00 0.00 39.78 38.73 3a6g n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a6g n HIS 83 N 0.22 0.09 -2.27 1.20 1.44 -1.26 -4.95 115.22 109.69 3a6g n HIS 83 Ca 0.10 0.03 -0.37 0.00 -2.01 0.00 0.00 57.72 55.46 3a6g n HIS 83 Cb 0.55 -0.24 -0.01 0.00 0.12 0.00 0.00 29.99 30.42 3a6g n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3a6g s PHE 84 N -3.09 2.88 0.68 -1.40 0.40 -1.23 -5.02 117.98 111.20 3a6g s PHE 84 Ca 0.07 1.54 -0.13 0.00 -0.60 0.00 0.00 56.93 57.81 3a6g s PHE 84 Cb 0.16 -3.37 0.00 0.00 0.51 0.00 0.00 43.02 40.33 3a6g s PHE 84 CO 0.81 -1.48 1.07 -2.14 0.70 0.00 0.00 175.22 174.18 3a6g s PRO 85 N -2.72 2.89 0.00 0.24 0.02 -1.26 -3.74 135.00 130.43 3a6g s PRO 85 Ca 0.64 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.77 3a6g s PRO 85 Cb -0.28 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.26 3a6g s PRO 85 CO 0.34 -1.14 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 3a6g n GLY 86 N -1.39 2.03 3.68 0.52 0.00 -1.26 -4.66 105.19 104.12 3a6g n GLY 86 Ca 0.08 -0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3a6g n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a6g n THR 87 N 0.00 0.42 -3.92 2.61 -2.24 -1.25 -4.65 114.28 105.26 3a6g n THR 87 Ca 0.00 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 3a6g n THR 87 Cb 0.00 -2.10 -0.15 0.00 -2.10 0.00 0.00 70.33 65.98 3a6g n THR 87 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3a6g s THR 88 N 2.99 1.66 0.14 4.28 2.01 -0.51 -4.96 115.64 121.26 3a6g s THR 88 Ca 0.84 -1.74 0.06 0.00 0.31 0.00 0.00 61.69 61.16 3a6g s THR 88 Cb -0.50 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 3a6g s THR 88 CO 0.39 -0.46 0.01 -0.44 -0.69 0.00 0.00 174.62 173.43 3a6g s SER 89 N 1.25 4.96 0.29 3.53 0.01 -1.26 -4.40 113.70 118.08 3a6g s SER 89 Ca 0.05 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 57.06 3a6g s SER 89 Cb -0.18 -1.14 -0.03 0.00 0.21 0.00 0.00 66.02 64.88 3a6g s SER 89 CO -0.12 0.12 0.47 -0.76 0.41 0.00 0.00 173.24 173.36 3a6g s LEU 90 N -2.69 4.14 0.65 2.44 1.43 -0.09 -4.87 118.68 119.69 3a6g s LEU 90 Ca 0.27 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3a6g s LEU 90 Cb -0.10 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 3a6g s LEU 90 CO 0.19 -0.19 1.05 -1.81 0.23 0.00 0.00 176.35 175.82 3a6g s ASP 91 N -3.92 5.66 0.20 2.29 1.01 -1.26 -3.62 116.67 117.04 3a6g s ASP 91 Ca 0.38 1.64 -0.10 0.00 0.71 0.00 0.00 52.55 55.17 3a6g s ASP 91 Cb -0.10 -2.50 0.22 0.00 1.01 0.00 0.00 42.92 41.56 3a6g s ASP 91 CO 0.33 -1.25 1.79 1.23 0.21 0.00 0.00 175.17 177.48 3a6g h GLY 92 N -0.29 0.89 1.61 0.21 0.00 -1.98 -2.39 103.07 101.12 3a6g h GLY 92 Ca -0.45 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3a6g h GLY 92 CO 0.58 0.11 0.25 0.00 0.00 0.00 0.00 176.54 177.47 3a6g h ALA 93 N 1.34 1.70 -0.24 3.60 0.00 -1.99 -0.98 119.26 122.70 3a6g h ALA 93 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3a6g h ALA 93 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3a6g h ALA 93 CO -0.20 0.27 -0.08 1.15 0.00 0.00 0.00 179.25 180.40 3a6g h THR 94 N 0.53 1.29 -0.19 0.00 2.02 -1.81 -0.65 112.91 114.10 3a6g h THR 94 Ca 0.14 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.19 3a6g h THR 94 Cb -0.04 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3a6g h THR 94 CO -0.03 0.34 -0.01 0.25 0.37 0.00 0.00 175.52 176.44 3a6g h LEU 95 N 0.20 0.34 -0.38 2.58 5.85 -1.28 -2.01 115.31 120.60 3a6g h LEU 95 Ca 0.06 -0.33 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3a6g h LEU 95 Cb 0.55 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3a6g h LEU 95 CO 0.03 0.58 0.05 0.74 -0.34 0.00 0.00 178.44 179.50 3a6g h THR 96 N 0.08 0.77 -0.53 1.05 2.02 -1.18 -1.97 112.91 113.15 3a6g h THR 96 Ca 0.05 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3a6g h THR 96 Cb 0.42 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3a6g h THR 96 CO 0.01 0.03 0.27 1.23 0.37 0.00 0.00 175.52 177.43 3a6g h GLY 97 N 0.17 0.79 0.87 2.16 0.00 -1.01 -0.03 103.07 106.02 3a6g h GLY 97 Ca 0.19 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.12 3a6g h GLY 97 CO -0.26 0.34 -0.00 -0.84 0.00 0.00 0.00 176.54 175.77 3a6g h THR 98 N 0.74 1.26 -0.33 4.70 2.02 -0.72 0.45 112.91 121.02 3a6g h THR 98 Ca 0.19 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3a6g h THR 98 Cb 0.05 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 3a6g h THR 98 CO -0.03 0.29 0.15 0.58 0.37 0.00 0.00 175.52 176.88 3a6g h VAL 99 N 0.27 1.17 -0.34 3.16 2.07 -1.06 -1.73 116.25 119.79 3a6g h VAL 99 Ca 0.08 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.12 3a6g h VAL 99 Cb 0.43 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3a6g h VAL 99 CO 0.01 0.18 0.12 -0.61 0.02 0.00 0.00 177.57 177.30 3a6g h GLN 100 N 0.39 0.26 -0.59 1.57 4.15 -0.86 -2.21 115.11 117.82 3a6g h GLN 100 Ca 0.11 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3a6g h GLN 100 Cb 0.15 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 3a6g h GLN 100 CO -0.01 0.17 0.35 -0.44 -1.93 0.00 0.00 178.83 176.97 3a6g h ASP 101 N 0.27 0.71 -0.41 -0.69 3.32 -0.71 -2.16 116.42 116.75 3a6g h ASP 101 Ca 0.15 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3a6g h ASP 101 Cb 0.12 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3a6g h ASP 101 CO -0.15 0.57 0.26 0.40 -1.72 0.00 0.00 179.24 178.59 3a6g h ILE 102 N 0.80 1.12 -0.72 0.35 1.08 -1.01 -1.99 117.51 117.13 3a6g h ILE 102 Ca 0.21 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3a6g h ILE 102 Cb -0.01 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 3a6g h ILE 102 CO -0.04 0.12 0.37 0.40 -0.69 0.00 0.00 178.15 178.30 3a6g h ILE 103 N 0.54 1.23 -0.77 -0.67 2.04 -1.27 -0.56 117.51 118.06 3a6g h ILE 103 Ca 0.15 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3a6g h ILE 103 Cb -0.03 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3a6g h ILE 103 CO -0.03 0.26 0.49 -0.09 0.00 0.00 0.00 178.15 178.79 3a6g h ARG 104 N 1.01 0.95 -0.26 2.37 2.43 -1.10 -1.39 114.38 118.39 3a6g h ARG 104 Ca 0.25 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 3a6g h ARG 104 Cb 0.09 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3a6g h ARG 104 CO -0.04 0.63 -0.33 0.93 -1.51 0.00 0.00 179.97 179.66 3a6g h GLU 105 N 0.98 0.68 -0.85 0.20 4.39 -0.98 -2.33 114.58 116.67 3a6g h GLU 105 Ca 0.30 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3a6g h GLU 105 Cb -0.03 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3a6g h GLU 105 CO -0.09 1.00 0.54 -0.07 -1.16 0.00 0.00 179.01 179.23 3a6g h LEU 106 N 0.40 0.99 -0.98 1.33 3.38 -0.89 -0.57 115.31 118.97 3a6g h LEU 106 Ca 0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3a6g h LEU 106 Cb 0.91 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3a6g h LEU 106 CO 0.08 0.74 0.18 0.00 0.09 0.00 0.00 178.44 179.53 3a6g h ALA 107 N 1.44 1.18 -0.51 1.53 0.00 -1.17 -1.40 119.26 120.33 3a6g h ALA 107 Ca 0.31 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3a6g h ALA 107 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3a6g h ALA 107 CO -0.06 0.57 0.09 -0.09 0.00 0.00 0.00 179.25 179.75 3a6g h ARG 108 N 0.90 0.80 0.00 0.00 2.43 -0.58 -2.03 114.38 115.90 3a6g h ARG 108 Ca 0.20 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3a6g h ARG 108 Cb 0.27 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3a6g h ARG 108 CO -0.01 0.75 -0.15 0.45 -1.51 0.00 0.00 179.97 179.51 3a6g h HIS 109 N 0.77 0.00 0.00 2.20 3.86 -0.70 -3.46 115.15 117.82 3a6g h HIS 109 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3a6g h HIS 109 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3a6g h HIS 109 CO 0.02 0.15 0.00 0.41 0.86 0.00 0.00 177.93 179.37 3a6g n GLY 110 N -0.47 0.81 3.77 2.45 0.00 -0.76 -4.99 105.19 105.99 3a6g n GLY 110 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3a6g n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6g s ALA 111 N -2.00 2.58 0.00 4.61 0.00 -0.58 -4.96 121.76 121.41 3a6g s ALA 111 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3a6g s ALA 111 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3a6g s ALA 111 CO 0.00 -1.02 0.48 0.54 0.00 0.00 0.00 175.76 175.77 3a6g n ARG 112 N -1.72 0.00 -3.69 0.00 5.12 -1.26 -4.17 116.66 110.94 3a6g n ARG 112 Ca 0.12 -0.47 -0.21 0.00 -1.93 0.00 0.00 57.85 55.36 3a6g n ARG 112 Cb 0.51 -0.42 -0.18 0.00 -1.16 0.00 0.00 32.46 31.21 3a6g n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3a6g s ARG 113 N 0.00 0.05 -0.01 5.56 0.52 -1.26 -0.86 118.95 122.95 3a6g s ARG 113 Ca 0.00 0.32 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 3a6g s ARG 113 Cb 0.00 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.86 3a6g s ARG 113 CO 0.00 -0.33 -0.04 -1.17 0.02 0.00 0.00 175.30 173.78 3a6g s LEU 114 N 2.13 1.81 -0.18 2.53 2.96 -0.72 -1.56 118.68 125.65 3a6g s LEU 114 Ca 0.05 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 3a6g s LEU 114 Cb -0.12 -0.27 0.00 0.00 0.50 0.00 0.00 46.19 46.30 3a6g s LEU 114 CO -0.03 0.02 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.20 3a6g s VAL 115 N 0.17 2.79 -0.33 1.68 1.01 0.60 -0.78 120.40 125.53 3a6g s VAL 115 Ca -0.02 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 3a6g s VAL 115 Cb -0.05 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3a6g s VAL 115 CO -0.00 0.49 0.19 -0.76 0.00 0.00 0.00 175.10 175.02 3a6g s LEU 116 N 1.13 4.34 -0.40 3.92 1.43 0.22 -0.39 118.68 128.92 3a6g s LEU 116 Ca 0.01 -0.52 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 3a6g s LEU 116 Cb -0.14 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.07 3a6g s LEU 116 CO -0.04 -0.23 0.24 -0.32 0.23 0.00 0.00 176.35 176.23 3a6g s MET 117 N 1.65 2.70 0.08 1.70 1.75 -0.47 -1.33 119.30 125.38 3a6g s MET 117 Ca 0.05 -1.30 -0.23 0.00 -1.25 0.00 0.00 55.69 52.95 3a6g s MET 117 Cb -0.17 -3.76 -0.06 0.00 2.84 0.00 0.00 34.83 33.67 3a6g s MET 117 CO 0.08 -0.85 0.70 1.21 -0.65 0.00 0.00 175.02 175.51 3a6g s ASN 118 N 1.89 7.19 0.00 1.11 2.47 0.59 -1.20 114.94 127.00 3a6g s ASN 118 Ca 0.02 1.41 0.03 0.00 0.42 0.00 0.00 52.86 54.74 3a6g s ASN 118 Cb -0.21 -2.44 0.01 0.00 -1.45 0.00 0.00 41.25 37.16 3a6g s ASN 118 CO 0.04 0.14 0.47 0.61 -3.72 0.00 0.00 177.10 174.64 3a6g n GLY 119 N 2.03 -0.76 2.88 1.21 0.00 0.01 -3.37 105.19 107.19 3a6g n GLY 119 Ca -0.06 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3a6g n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a6g s HIS 120 N -0.45 2.24 0.28 1.61 5.65 -1.25 -4.72 115.29 118.65 3a6g s HIS 120 Ca 0.03 -1.77 -0.06 0.00 0.25 0.00 0.00 55.06 53.51 3a6g s HIS 120 Cb 0.02 -1.68 0.53 0.00 -1.18 0.00 0.00 32.58 30.28 3a6g s HIS 120 CO 0.05 -0.79 1.57 -0.92 -0.65 0.00 0.00 174.74 174.00 3a6g h TYR 121 N 7.98 -0.38 0.00 3.88 3.20 -1.94 -0.24 116.97 129.47 3a6g h TYR 121 Ca -0.15 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3a6g h TYR 121 Cb 1.06 0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.65 3a6g h TYR 121 CO 0.44 -0.42 0.05 0.93 -1.64 0.00 0.00 178.16 177.52 3a6g h GLU 122 N 0.00 0.00 0.00 1.82 3.07 -1.91 -2.76 114.58 114.80 3a6g h GLU 122 Ca 0.50 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.24 3a6g h GLU 122 Cb 0.86 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 3a6g h GLU 122 CO -0.97 0.00 -0.57 -0.91 -1.40 0.00 0.00 179.01 175.16 3a6g h ASN 123 N 0.00 0.00 -0.00 1.42 2.35 -1.35 -3.41 115.58 114.59 3a6g h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a6g h ASN 123 Cb 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 3a6g h ASN 123 CO 0.00 0.57 -0.00 -1.20 -1.65 0.00 0.00 177.43 175.14 3a6g n SER 124 N -3.80 -0.00 0.26 5.81 7.64 -1.04 -1.42 113.62 121.07 3a6g n SER 124 Ca -0.01 0.48 0.13 0.00 1.01 0.00 0.00 58.87 60.48 3a6g n SER 124 Cb 0.58 -0.24 0.72 0.00 -1.01 0.00 0.00 64.21 64.27 3a6g n SER 124 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3a6g h MET 125 N 0.00 0.00 0.00 1.43 2.86 -1.86 -1.29 114.93 116.07 3a6g h MET 125 Ca 0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3a6g h MET 125 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3a6g h MET 125 CO -0.00 0.12 -0.75 0.74 1.06 0.00 0.00 176.91 178.08 3a6g h PHE 126 N 0.00 0.00 -0.21 -0.22 -1.00 -1.52 -1.19 116.94 112.80 3a6g h PHE 126 Ca -0.00 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.67 3a6g h PHE 126 Cb 0.38 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.94 3a6g h PHE 126 CO 0.00 0.75 -0.29 0.82 -1.61 0.00 0.00 178.31 177.98 3a6g h ILE 127 N 0.00 1.33 -0.40 -0.55 2.04 -0.60 -1.84 117.51 117.49 3a6g h ILE 127 Ca -0.01 -1.49 0.04 0.00 1.00 0.00 0.00 64.86 64.40 3a6g h ILE 127 Cb 1.55 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 39.39 3a6g h ILE 127 CO 0.10 0.46 0.18 0.58 0.00 0.00 0.00 178.15 179.47 3a6g h VAL 128 N 0.24 0.95 -0.55 1.67 2.07 -1.15 -0.22 116.25 119.26 3a6g h VAL 128 Ca 0.02 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 3a6g h VAL 128 Cb 0.86 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3a6g h VAL 128 CO 0.07 0.07 0.06 -0.08 0.02 0.00 0.00 177.57 177.70 3a6g h GLU 129 N 0.37 0.90 -0.80 1.57 4.57 -1.17 -0.52 114.58 119.50 3a6g h GLU 129 Ca 0.18 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3a6g h GLU 129 Cb 0.11 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 3a6g h GLU 129 CO -0.14 0.86 0.38 0.78 -1.18 0.00 0.00 179.01 179.71 3a6g h GLY 130 N 1.00 1.23 0.78 1.92 0.00 -0.71 -0.62 103.07 106.66 3a6g h GLY 130 Ca 0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3a6g h GLY 130 CO 0.01 0.58 0.01 -2.22 0.00 0.00 0.00 176.54 174.92 3a6g h ILE 131 N 1.14 1.22 -0.30 2.60 2.04 -0.52 -2.00 117.51 121.69 3a6g h ILE 131 Ca 0.28 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.49 3a6g h ILE 131 Cb 0.11 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3a6g h ILE 131 CO -0.03 0.19 0.15 -0.78 0.00 0.00 0.00 178.15 177.67 3a6g h ASP 132 N -0.12 0.22 -0.48 1.72 3.58 -0.75 -0.47 116.42 120.12 3a6g h ASP 132 Ca 0.02 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 3a6g h ASP 132 Cb 0.28 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3a6g h ASP 132 CO 0.00 0.17 0.12 -0.07 -2.88 0.00 0.00 179.24 176.58 3a6g h LEU 133 N 0.31 0.78 -0.16 2.28 3.38 -1.13 -1.08 115.31 119.69 3a6g h LEU 133 Ca 0.13 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3a6g h LEU 133 Cb 0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3a6g h LEU 133 CO -0.09 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 179.17 3a6g h ALA 134 N 1.33 0.22 -0.32 1.53 0.00 -0.96 -2.38 119.26 118.69 3a6g h ALA 134 Ca 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3a6g h ALA 134 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3a6g h ALA 134 CO 0.00 -0.01 0.12 -0.07 0.00 0.00 0.00 179.25 179.29 3a6g h LEU 135 N 0.02 0.40 -0.23 0.00 4.07 -0.90 0.35 115.31 119.01 3a6g h LEU 135 Ca 0.04 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 3a6g h LEU 135 Cb 0.48 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 3a6g h LEU 135 CO 0.02 0.38 0.07 -0.09 -1.08 0.00 0.00 178.44 177.73 3a6g h ARG 136 N 0.45 0.37 -0.67 1.13 2.43 -1.09 -1.62 114.38 115.38 3a6g h ARG 136 Ca 0.11 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3a6g h ARG 136 Cb 0.11 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3a6g h ARG 136 CO -0.01 0.46 0.28 0.93 -1.51 0.00 0.00 179.97 180.13 3a6g h GLU 137 N 0.20 1.00 -0.92 0.20 5.08 -0.81 -2.23 114.58 117.11 3a6g h GLU 137 Ca 0.07 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3a6g h GLU 137 Cb 0.26 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3a6g h GLU 137 CO -0.00 0.82 0.59 -0.07 -1.00 0.00 0.00 179.01 179.35 3a6g h LEU 138 N 0.95 1.07 -0.60 1.33 3.38 -0.80 -0.82 115.31 119.81 3a6g h LEU 138 Ca 0.23 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 3a6g h LEU 138 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3a6g h LEU 138 CO -0.02 0.80 0.37 -0.09 0.09 0.00 0.00 178.44 179.58 3a6g h ARG 139 N 1.25 0.81 0.00 1.13 2.43 -0.93 0.55 114.38 119.63 3a6g h ARG 139 Ca 0.33 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3a6g h ARG 139 Cb -0.11 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 3a6g h ARG 139 CO -0.07 0.58 -0.13 1.88 -1.51 0.00 0.00 179.97 180.72 3a6g h TYR 140 N 0.81 0.00 -0.01 2.20 0.05 -0.71 -0.27 116.97 119.04 3a6g h TYR 140 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3a6g h TYR 140 Cb -0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 3a6g h TYR 140 CO -0.02 0.13 -0.05 0.00 -1.05 0.00 0.00 178.16 177.17 3a6g n ALA 141 N -2.38 2.69 -0.62 3.88 0.00 -0.41 -4.91 120.51 118.77 3a6g n ALA 141 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3a6g n ALA 141 Cb 0.22 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3a6g n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a6g n GLY 142 N 1.18 0.62 3.27 0.00 0.00 -0.11 -5.05 105.19 105.10 3a6g n GLY 142 Ca 0.18 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 3a6g n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a6g s ILE 143 N -2.00 3.38 -0.03 -0.61 1.01 0.18 -4.94 121.20 118.20 3a6g s ILE 143 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3a6g s ILE 143 Cb 0.00 -2.71 0.06 0.00 0.01 0.00 0.00 42.46 39.82 3a6g s ILE 143 CO 0.00 0.17 0.90 0.00 0.00 0.00 0.00 174.94 176.01 3a6g n GLN 144 N 4.76 1.45 -0.39 2.79 6.02 -1.26 -2.79 117.38 127.95 3a6g n GLN 144 Ca -0.16 -1.39 0.08 0.00 -0.01 0.00 0.00 57.00 55.52 3a6g n GLN 144 Cb 0.48 -0.90 0.24 0.00 1.02 0.00 0.00 30.24 31.08 3a6g n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3a6g n ASP 145 N -0.49 3.72 -4.66 1.08 5.75 -1.26 -4.95 116.55 115.74 3a6g n ASP 145 Ca 0.03 -2.73 -0.40 0.00 -0.01 0.00 0.00 54.79 51.68 3a6g n ASP 145 Cb 0.46 -0.47 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 3a6g n ASP 145 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3a6g s PHE 146 N -2.32 3.38 -0.06 2.11 2.19 -1.26 -4.86 117.98 117.15 3a6g s PHE 146 Ca 0.38 0.91 0.04 0.00 0.33 0.00 0.00 56.93 58.59 3a6g s PHE 146 Cb 0.29 -2.78 -0.02 0.00 -1.31 0.00 0.00 43.02 39.20 3a6g s PHE 146 CO 0.11 -0.16 -0.19 0.21 1.83 0.00 0.00 175.22 177.03 3a6g s LYS 147 N 1.84 2.65 -0.02 10.12 2.20 -0.04 -5.01 119.74 131.47 3a6g s LYS 147 Ca 0.28 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 55.16 3a6g s LYS 147 Cb -0.16 -2.32 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 3a6g s LYS 147 CO 0.10 0.46 -0.19 0.08 -0.36 0.00 0.00 175.35 175.44 3a6g s VAL 148 N -0.32 1.50 -0.13 4.02 1.01 -1.26 -1.75 120.40 123.47 3a6g s VAL 148 Ca 0.02 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3a6g s VAL 148 Cb -0.13 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3a6g s VAL 148 CO 0.02 0.43 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 3a6g s VAL 149 N -0.32 2.25 -0.07 2.92 1.01 0.04 -4.99 120.40 121.24 3a6g s VAL 149 Ca 0.04 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.14 3a6g s VAL 149 Cb -0.09 -1.90 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3a6g s VAL 149 CO 0.00 0.54 -0.21 0.54 0.00 0.00 0.00 175.10 175.97 3a6g s VAL 150 N 0.64 2.37 0.15 2.92 0.11 -1.26 -0.61 120.40 124.71 3a6g s VAL 150 Ca -0.11 -0.95 -0.19 0.00 -2.93 0.00 0.00 61.98 57.81 3a6g s VAL 150 Cb -0.16 -1.90 0.05 0.00 -1.53 0.00 0.00 36.38 32.84 3a6g s VAL 150 CO 0.02 0.57 0.49 -1.48 -3.33 0.00 0.00 175.10 171.37 3a6g s LEU 151 N -0.14 -0.02 -0.21 2.54 0.05 -0.44 -4.97 118.68 115.49 3a6g s LEU 151 Ca -0.03 -0.21 -0.03 0.00 0.05 0.00 0.00 54.13 53.90 3a6g s LEU 151 Cb -0.14 2.17 -0.01 0.00 -2.05 0.00 0.00 46.19 46.17 3a6g s LEU 151 CO 0.04 -0.92 -0.06 -0.44 -0.55 0.00 0.00 176.35 174.42 3a6g s SER 152 N -2.79 4.20 0.52 1.48 0.01 -1.26 -0.30 113.70 115.56 3a6g s SER 152 Ca 0.03 -0.40 0.32 0.00 1.31 0.00 0.00 55.95 57.21 3a6g s SER 152 Cb 0.00 -1.71 1.46 0.00 0.21 0.00 0.00 66.02 65.98 3a6g s SER 152 CO -0.11 -0.00 1.84 0.10 0.41 0.00 0.00 173.24 175.47 3a6g h TYR 153 N 7.98 0.10 0.00 2.43 -0.00 -1.92 0.48 116.97 126.04 3a6g h TYR 153 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.33 3a6g h TYR 153 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 37.86 3a6g h TYR 153 CO 0.57 0.01 0.00 1.97 -0.00 0.00 0.00 178.16 180.71 3a6g n PHE 154 N -4.28 0.00 1.68 0.10 1.16 -1.26 -2.90 117.46 111.96 3a6g n PHE 154 Ca 0.22 0.00 0.15 0.00 -1.87 0.00 0.00 57.45 55.95 3a6g n PHE 154 Cb 1.06 -0.40 0.71 0.00 -1.61 0.00 0.00 39.48 39.24 3a6g n PHE 154 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3a6g n ASP 155 N -1.40 0.70 -0.98 5.98 8.00 0.16 -3.81 116.55 125.20 3a6g n ASP 155 Ca 0.07 -1.12 0.11 0.00 0.71 0.00 0.00 54.79 54.55 3a6g n ASP 155 Cb 0.20 -0.01 0.27 0.00 -0.02 0.00 0.00 41.12 41.55 3a6g n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a6g n PHE 156 N -0.51 0.50 -3.50 1.24 3.01 -1.14 -4.69 117.46 112.36 3a6g n PHE 156 Ca 0.20 -0.25 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 3a6g n PHE 156 Cb 0.24 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.66 3a6g n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3a6g s VAL 157 N -1.50 4.79 0.00 -4.37 1.01 -1.25 -4.70 120.40 114.39 3a6g s VAL 157 Ca 0.37 -2.71 0.00 0.00 0.00 0.00 0.00 61.98 59.64 3a6g s VAL 157 Cb 0.21 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3a6g s VAL 157 CO 0.29 -0.97 0.00 0.29 0.00 0.00 0.00 175.10 174.71 3a6g n LYS 158 N 3.73 1.21 -1.57 2.72 5.02 -1.26 -4.95 118.16 123.05 3a6g n LYS 158 Ca 0.12 0.00 -0.63 0.00 -2.02 0.00 0.00 58.31 55.77 3a6g n LYS 158 Cb 0.43 -0.99 -0.10 0.00 -0.02 0.00 0.00 35.03 34.35 3a6g n LYS 158 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3a6g n ASP 159 N -2.32 1.24 0.03 4.39 3.85 -1.26 -4.76 116.55 117.73 3a6g n ASP 159 Ca 0.00 0.98 0.20 0.00 -0.71 0.00 0.00 54.79 55.25 3a6g n ASP 159 Cb 0.49 -0.93 0.70 0.00 -1.35 0.00 0.00 41.12 40.03 3a6g n ASP 159 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.20 177.74 3a6g h PRO 160 N 6.88 0.00 -0.04 0.11 0.13 -1.99 0.25 132.00 137.34 3a6g h PRO 160 Ca -0.33 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 3a6g h PRO 160 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 3a6g h PRO 160 CO 1.01 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.49 3a6g h ALA 161 N 1.73 1.43 0.02 -0.56 0.00 -2.00 -0.18 119.26 119.71 3a6g h ALA 161 Ca 0.23 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3a6g h ALA 161 Cb 0.95 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.68 3a6g h ALA 161 CO -0.00 0.42 -0.21 -0.24 0.00 0.00 0.00 179.25 179.22 3a6g h VAL 162 N 0.06 1.66 -0.68 0.00 3.04 -0.87 -3.06 116.25 116.41 3a6g h VAL 162 Ca 0.01 -2.20 0.09 0.00 -1.01 0.00 0.00 66.70 63.58 3a6g h VAL 162 Cb 0.56 3.12 -0.04 0.00 -2.01 0.00 0.00 31.29 32.92 3a6g h VAL 162 CO 0.04 0.59 0.45 0.16 -1.01 0.00 0.00 177.57 177.80 3a6g h ILE 163 N -0.73 0.94 0.09 3.17 -2.65 -1.19 -0.50 117.51 116.65 3a6g h ILE 163 Ca -0.03 -0.20 -0.00 0.00 1.03 0.00 0.00 64.86 65.66 3a6g h ILE 163 Cb 1.08 0.32 0.00 0.00 -2.05 0.00 0.00 36.82 36.17 3a6g h ILE 163 CO 0.04 0.10 -0.04 1.56 0.03 0.00 0.00 178.15 179.84 3a6g h GLN 164 N 0.57 -0.12 -0.76 0.16 7.50 -1.07 0.43 115.11 121.82 3a6g h GLN 164 Ca 0.31 0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.44 3a6g h GLN 164 Cb 0.45 0.03 -0.04 0.00 0.05 0.00 0.00 27.48 27.97 3a6g h GLN 164 CO -0.10 0.02 0.37 -0.56 -1.50 0.00 0.00 178.83 177.06 3a6g h GLN 165 N -0.24 1.09 -0.11 1.46 3.07 -1.24 -0.35 115.11 118.78 3a6g h GLN 165 Ca -0.01 -0.15 -0.19 0.00 0.09 0.00 0.00 58.65 58.39 3a6g h GLN 165 Cb 0.20 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 3a6g h GLN 165 CO 0.02 0.84 -0.70 -0.07 0.09 0.00 0.00 178.83 179.00 3a6g h LEU 166 N 1.08 0.60 -6.12 0.06 3.38 -0.89 -3.37 115.31 110.04 3a6g h LEU 166 Ca 0.26 -0.38 -0.58 0.00 0.09 0.00 0.00 57.88 57.28 3a6g h LEU 166 Cb 0.11 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 40.28 3a6g h LEU 166 CO -0.03 1.12 -0.90 -1.22 0.09 0.00 0.00 178.44 177.50 3a6g n TYR 167 N -3.88 1.16 0.26 1.13 4.01 0.15 -4.95 117.16 115.04 3a6g n TYR 167 Ca -0.05 -3.78 0.10 0.00 -0.16 0.00 0.00 57.90 54.01 3a6g n TYR 167 Cb 0.69 -0.40 0.72 0.00 -0.31 0.00 0.00 39.34 40.04 3a6g n TYR 167 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3a6g h PRO 168 N 4.20 0.00 -0.00 -0.72 0.13 -1.24 -0.08 132.00 134.29 3a6g h PRO 168 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3a6g h PRO 168 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3a6g h PRO 168 CO 0.60 0.00 -0.03 0.39 -0.23 0.00 0.00 178.00 178.73 3a6g n GLU 169 N -4.34 0.82 0.00 0.86 4.71 -1.26 -4.98 120.64 116.45 3a6g n GLU 169 Ca -0.03 -0.16 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 3a6g n GLU 169 Cb 0.10 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 3a6g n GLU 169 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a6g n GLY 170 N 1.17 3.39 3.65 0.62 0.00 -0.04 -5.08 105.19 108.90 3a6g n GLY 170 Ca 0.18 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 3a6g n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a6g s PHE 171 N -1.75 3.26 -0.51 1.61 2.99 -1.26 -4.83 117.98 117.50 3a6g s PHE 171 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 56.93 57.07 3a6g s PHE 171 Cb 0.00 -2.05 0.41 0.00 0.00 0.00 0.00 43.02 41.37 3a6g s PHE 171 CO 0.00 0.20 1.25 1.28 -0.00 0.00 0.00 175.22 177.95 3a6g n LEU 172 N 3.37 5.15 -0.38 -0.37 4.32 -1.26 -5.07 117.00 122.77 3a6g n LEU 172 Ca -0.17 -5.16 0.04 0.00 -0.02 0.00 0.00 56.01 50.70 3a6g n LEU 172 Cb 0.52 -0.56 -0.02 0.00 -1.62 0.00 0.00 43.42 41.74 3a6g n LEU 172 CO 0.35 2.17 -0.16 0.61 -1.22 0.00 0.00 177.39 179.13 3a6g n GLY 173 N -0.49 -2.85 0.15 -0.72 0.00 -1.26 -4.74 105.19 95.28 3a6g n GLY 173 Ca 0.41 -1.33 0.11 0.00 0.00 0.00 0.00 46.02 45.21 3a6g n GLY 173 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3a6g n TRP 174 N -2.54 0.00 0.94 1.61 5.03 -1.26 -4.19 117.44 117.03 3a6g n TRP 174 Ca -0.02 0.00 0.02 0.00 3.03 0.00 0.00 57.50 60.53 3a6g n TRP 174 Cb 0.17 -0.10 0.13 0.00 -1.03 0.00 0.00 31.31 30.48 3a6g n TRP 174 CO 0.00 0.00 0.00 -0.40 -0.03 0.00 0.00 177.69 177.26 3a6g n ASP 175 N -1.04 0.00 -0.19 -0.99 5.75 -1.26 -2.05 116.55 116.77 3a6g n ASP 175 Ca 0.07 -0.81 0.02 0.00 -0.01 0.00 0.00 54.79 54.07 3a6g n ASP 175 Cb 0.36 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.48 3a6g n ASP 175 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a6g n ILE 176 N -0.64 0.53 -0.88 2.12 3.06 -1.26 -4.76 119.36 117.52 3a6g n ILE 176 Ca 0.03 -0.60 -0.15 0.00 -2.50 0.00 0.00 62.75 59.53 3a6g n ILE 176 Cb 0.01 0.50 0.02 0.00 0.54 0.00 0.00 39.64 40.72 3a6g n ILE 176 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3a6g n GLU 177 N -0.36 1.74 -3.39 9.51 -0.58 -0.87 -3.53 120.64 123.16 3a6g n GLU 177 Ca 0.03 -1.39 -0.42 0.00 -0.42 0.00 0.00 57.16 54.96 3a6g n GLU 177 Cb 0.56 -1.57 -0.09 0.00 -0.57 0.00 0.00 31.44 29.76 3a6g n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3a6g s HIS 178 N -1.51 3.20 -0.74 -0.32 5.65 -1.26 -4.16 115.29 116.16 3a6g s HIS 178 Ca 0.29 -0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.39 3a6g s HIS 178 Cb 0.22 -2.72 0.00 0.00 -1.18 0.00 0.00 32.58 28.90 3a6g s HIS 178 CO -0.02 -0.53 0.00 0.41 -0.65 0.00 0.00 174.74 173.95 3a6g n GLY 179 N 5.04 0.89 0.00 1.59 0.00 -1.26 -2.05 105.19 109.39 3a6g n GLY 179 Ca -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3a6g n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6g n GLY 180 N -1.67 1.56 0.27 -0.02 0.00 -1.26 -4.35 105.19 99.71 3a6g n GLY 180 Ca -0.07 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.08 3a6g n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3a6g h VAL 181 N 0.00 1.10 0.89 1.61 2.07 -1.86 -2.36 116.25 117.71 3a6g h VAL 181 Ca 0.00 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 3a6g h VAL 181 Cb 0.00 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3a6g h VAL 181 CO 0.00 0.16 -0.43 0.15 0.02 0.00 0.00 177.57 177.47 3a6g h PHE 182 N 0.86 -1.11 -0.61 1.57 3.04 -1.94 -0.47 116.94 118.28 3a6g h PHE 182 Ca 0.27 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.12 3a6g h PHE 182 Cb 0.00 0.37 -0.02 0.00 2.56 0.00 0.00 35.95 38.86 3a6g h PHE 182 CO -0.04 -0.69 0.09 0.93 -2.02 0.00 0.00 178.31 176.58 3a6g h GLU 183 N -1.20 1.02 -0.68 1.11 5.08 -1.83 -2.46 114.58 115.62 3a6g h GLU 183 Ca -0.12 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 3a6g h GLU 183 Cb 0.92 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 3a6g h GLU 183 CO 0.20 0.96 0.20 1.15 -1.00 0.00 0.00 179.01 180.52 3a6g h THR 184 N 0.93 1.25 -0.53 1.13 2.02 -1.46 -0.97 112.91 115.28 3a6g h THR 184 Ca 0.18 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 3a6g h THR 184 Cb 0.44 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3a6g h THR 184 CO 0.01 0.34 0.09 0.28 0.37 0.00 0.00 175.52 176.61 3a6g h SER 185 N 1.01 0.84 -0.64 4.18 0.02 -0.94 0.23 113.55 118.25 3a6g h SER 185 Ca 0.22 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3a6g h SER 185 Cb 0.30 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3a6g h SER 185 CO -0.01 0.89 0.31 -0.07 -1.14 0.00 0.00 176.83 176.80 3a6g h LEU 186 N 0.76 0.84 -0.87 5.07 3.38 -1.16 -2.16 115.31 121.17 3a6g h LEU 186 Ca 0.16 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3a6g h LEU 186 Cb 0.40 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3a6g h LEU 186 CO 0.01 0.74 0.16 0.24 0.09 0.00 0.00 178.44 179.67 3a6g h MET 187 N 0.88 0.99 -0.18 1.13 2.86 -0.85 -0.19 114.93 119.57 3a6g h MET 187 Ca 0.22 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3a6g h MET 187 Cb 0.12 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3a6g h MET 187 CO -0.03 0.88 -0.06 -0.07 1.06 0.00 0.00 176.91 178.69 3a6g h LEU 188 N 0.95 0.24 0.00 1.22 3.38 -0.57 0.60 115.31 121.14 3a6g h LEU 188 Ca 0.20 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 3a6g h LEU 188 Cb 0.33 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3a6g h LEU 188 CO -0.00 0.35 -0.98 0.00 0.09 0.00 0.00 178.44 177.90 3a6g h ALA 189 N 1.68 0.55 0.00 1.53 0.00 -0.81 -3.33 119.26 118.89 3a6g h ALA 189 Ca 0.06 -0.82 -0.38 0.00 0.00 0.00 0.00 54.91 53.77 3a6g h ALA 189 Cb 0.28 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3a6g h ALA 189 CO 0.01 1.04 -2.30 1.28 0.00 0.00 0.00 179.25 179.28 3a6g n LEU 190 N -3.21 2.03 -3.16 0.00 4.77 -0.14 -4.84 117.00 112.46 3a6g n LEU 190 Ca -0.03 0.18 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 3a6g n LEU 190 Cb 0.87 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3a6g n LEU 190 CO 0.44 0.60 -0.14 -1.22 -1.33 0.00 0.00 177.39 175.74 3a6g n TYR 191 N -3.81 1.20 -0.07 -1.77 4.01 0.21 -4.95 117.16 111.98 3a6g n TYR 191 Ca -0.45 -3.83 0.24 0.00 -0.16 0.00 0.00 57.90 53.70 3a6g n TYR 191 Cb 0.85 -0.43 0.71 0.00 -0.31 0.00 0.00 39.34 40.17 3a6g n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3a6g h PRO 192 N 3.32 0.00 0.00 -0.72 0.13 -1.55 0.56 132.00 133.74 3a6g h PRO 192 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a6g h PRO 192 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3a6g h PRO 192 CO 0.59 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.11 3a6g n ASP 193 N -4.23 0.54 -1.36 1.44 8.00 -1.26 -2.23 116.55 117.44 3a6g n ASP 193 Ca 0.14 0.64 0.09 0.00 0.71 0.00 0.00 54.79 56.36 3a6g n ASP 193 Cb 0.78 -0.75 0.32 0.00 -0.02 0.00 0.00 41.12 41.45 3a6g n ASP 193 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3a6g n LEU 194 N -2.10 4.42 -4.03 0.64 4.77 0.19 -4.92 117.00 115.98 3a6g n LEU 194 Ca 0.02 -2.48 -0.20 0.00 -0.03 0.00 0.00 56.01 53.32 3a6g n LEU 194 Cb 0.21 -0.53 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 3a6g n LEU 194 CO 0.18 0.78 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.89 3a6g s VAL 195 N -1.90 0.78 -0.39 4.08 1.01 -0.95 -3.09 120.40 119.94 3a6g s VAL 195 Ca 0.46 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.05 3a6g s VAL 195 Cb 0.31 -0.67 0.14 0.00 0.00 0.00 0.00 36.38 36.15 3a6g s VAL 195 CO 0.21 0.23 0.22 -0.62 0.00 0.00 0.00 175.10 175.14 3a6g s ASP 196 N -0.09 3.32 0.58 3.32 3.68 -0.08 -4.97 116.67 122.43 3a6g s ASP 196 Ca 0.02 -2.37 0.28 0.00 2.13 0.00 0.00 52.55 52.60 3a6g s ASP 196 Cb -0.05 -0.71 1.59 0.00 -1.45 0.00 0.00 42.92 42.29 3a6g s ASP 196 CO -0.00 -0.29 2.06 -0.07 0.13 0.00 0.00 175.17 177.00 3a6g h LEU 197 N 6.92 0.00 -0.52 -1.34 3.38 -1.97 -0.61 115.31 121.17 3a6g h LEU 197 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a6g h LEU 197 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3a6g h LEU 197 CO 0.37 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.37 3a6g n ASP 198 N -3.88 0.34 -0.83 -0.43 8.00 -1.26 -1.64 116.55 116.85 3a6g n ASP 198 Ca 0.03 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.27 3a6g n ASP 198 Cb 0.40 -0.67 0.20 0.00 -0.02 0.00 0.00 41.12 41.02 3a6g n ASP 198 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a6g n ARG 199 N -1.90 2.12 -2.03 -1.24 1.74 -0.24 -4.96 116.66 110.15 3a6g n ARG 199 Ca 0.01 -1.66 -0.41 0.00 -0.77 0.00 0.00 57.85 55.02 3a6g n ARG 199 Cb 0.13 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3a6g n ARG 199 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3a6g s VAL 200 N -2.02 2.70 -0.40 1.55 1.01 -0.65 -4.27 120.40 118.32 3a6g s VAL 200 Ca 0.30 0.60 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 3a6g s VAL 200 Cb 0.20 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.22 3a6g s VAL 200 CO 0.32 0.10 0.29 -0.69 0.00 0.00 0.00 175.10 175.11 3a6g s VAL 201 N -0.06 5.15 -1.38 2.92 1.01 -1.26 -5.00 120.40 121.79 3a6g s VAL 201 Ca 0.59 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 3a6g s VAL 201 Cb -0.41 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.12 3a6g s VAL 201 CO 0.43 -0.30 2.15 -0.67 0.00 0.00 0.00 175.10 176.71 3a6g n ASP 202 N 5.13 3.84 -4.95 3.32 2.03 -1.26 -4.68 116.55 119.98 3a6g n ASP 202 Ca -0.11 -2.83 -0.23 0.00 0.52 0.00 0.00 54.79 52.14 3a6g n ASP 202 Cb 0.47 -1.62 -0.02 0.00 -0.72 0.00 0.00 41.12 39.23 3a6g n ASP 202 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3a6g s HIS 203 N 3.56 3.47 0.71 -0.67 -3.43 -1.26 -5.02 115.29 112.66 3a6g s HIS 203 Ca 0.49 0.17 -0.14 0.00 -0.80 0.00 0.00 55.06 54.77 3a6g s HIS 203 Cb 0.13 -1.73 0.03 0.00 -1.43 0.00 0.00 32.58 29.58 3a6g s HIS 203 CO -0.05 0.31 1.14 -1.25 -2.00 0.00 0.00 174.74 172.89 3a6g s PRO 204 N -4.02 2.44 0.26 -0.38 0.04 -1.26 -3.89 135.00 128.19 3a6g s PRO 204 Ca 0.37 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 3a6g s PRO 204 Cb -0.09 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 3a6g s PRO 204 CO 0.32 -1.54 1.41 -2.30 0.04 0.00 0.00 177.00 174.92 3a6g n PRO 205 N -2.75 2.10 -2.18 0.56 -0.02 -1.26 -4.82 135.00 126.63 3a6g n PRO 205 Ca 0.11 0.74 -0.40 0.00 -2.02 0.00 0.00 63.50 61.94 3a6g n PRO 205 Cb 0.52 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3a6g n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6g s ALA 206 N -0.19 3.38 0.00 3.55 0.00 0.10 -5.02 121.76 123.58 3a6g s ALA 206 Ca 0.66 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.85 3a6g s ALA 206 Cb -0.63 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.03 3a6g s ALA 206 CO 0.51 -0.60 -0.20 0.95 0.00 0.00 0.00 175.76 176.43 3a6g s THR 207 N -1.21 1.58 0.08 0.00 -4.23 -1.26 -5.00 115.64 105.60 3a6g s THR 207 Ca 0.51 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 3a6g s THR 207 Cb -0.37 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 3a6g s THR 207 CO 0.48 0.36 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.48 3a6g s PHE 208 N -0.58 0.83 0.82 3.99 0.40 -1.26 -5.11 117.98 117.08 3a6g s PHE 208 Ca 0.07 -0.72 -0.12 0.00 -0.60 0.00 0.00 56.93 55.56 3a6g s PHE 208 Cb -0.08 -0.48 0.08 0.00 0.51 0.00 0.00 43.02 43.05 3a6g s PHE 208 CO 0.00 -0.10 1.13 -2.14 0.70 0.00 0.00 175.22 174.80 3a6g s PRO 209 N -2.85 1.90 0.00 0.24 0.02 -1.26 -4.90 135.00 128.15 3a6g s PRO 209 Ca 0.03 0.39 -0.01 0.00 0.02 0.00 0.00 61.00 61.43 3a6g s PRO 209 Cb -0.02 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 3a6g s PRO 209 CO -0.02 -1.70 1.87 -0.35 -0.33 0.00 0.00 177.00 176.47 3a6g n PRO 210 N -3.44 0.95 -3.86 5.54 -0.04 -1.26 -4.79 135.00 128.09 3a6g n PRO 210 Ca 0.07 -0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 3a6g n PRO 210 Cb 0.58 -1.16 -0.04 0.00 -0.04 0.00 0.00 33.50 32.84 3a6g n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3a6g s TYR 211 N 0.38 0.07 0.15 0.54 -0.85 -1.26 -5.18 117.35 111.20 3a6g s TYR 211 Ca 0.06 -0.44 0.11 0.00 -0.52 0.00 0.00 57.07 56.28 3a6g s TYR 211 Cb 0.03 0.35 -0.04 0.00 0.38 0.00 0.00 41.96 42.68 3a6g s TYR 211 CO 0.00 -0.99 -0.26 -0.51 -1.52 0.00 0.00 175.55 172.27 3a6g s ASP 212 N -2.94 3.31 -0.05 -0.18 1.01 -1.26 -5.10 116.67 111.47 3a6g s ASP 212 Ca 0.15 -0.79 0.05 0.00 0.71 0.00 0.00 52.55 52.67 3a6g s ASP 212 Cb -0.02 -0.23 -0.01 0.00 1.01 0.00 0.00 42.92 43.68 3a6g s ASP 212 CO 0.03 0.15 -0.19 -0.69 0.21 0.00 0.00 175.17 174.68 3a6g s VAL 213 N -1.27 1.62 0.01 -1.27 1.01 -1.26 -5.13 120.40 114.10 3a6g s VAL 213 Ca 0.16 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3a6g s VAL 213 Cb -0.09 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3a6g s VAL 213 CO 0.07 0.46 -0.07 -0.36 0.00 0.00 0.00 175.10 175.20 3a6g s PHE 214 N -0.02 0.63 0.66 5.22 0.08 -1.26 -3.87 117.98 119.43 3a6g s PHE 214 Ca -0.04 -0.22 -0.17 0.00 0.12 0.00 0.00 56.93 56.62 3a6g s PHE 214 Cb -0.12 -0.39 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 3a6g s PHE 214 CO 0.03 -0.02 1.23 -1.25 -0.10 0.00 0.00 175.22 175.10 3a6g s PRO 215 N -0.56 2.52 0.17 0.24 0.04 -1.26 -5.06 135.00 131.09 3a6g s PRO 215 Ca -0.01 1.84 -0.34 0.00 0.04 0.00 0.00 61.00 62.54 3a6g s PRO 215 Cb -0.05 -1.87 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 3a6g s PRO 215 CO 0.00 -1.56 1.46 1.55 0.04 0.00 0.00 177.00 178.49 3a6g n VAL 216 N -2.16 0.31 -3.31 -0.36 3.14 -1.25 -4.94 118.33 109.77 3a6g n VAL 216 Ca 0.14 -0.08 -0.43 0.00 -2.96 0.00 0.00 64.34 61.01 3a6g n VAL 216 Cb 0.50 -1.34 -0.08 0.00 -1.06 0.00 0.00 33.84 31.86 3a6g n VAL 216 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3a6g s ASP 217 N 0.60 6.19 0.48 6.55 2.15 -1.26 -4.96 116.67 126.42 3a6g s ASP 217 Ca 0.77 -0.79 0.25 0.00 0.43 0.00 0.00 52.55 53.21 3a6g s ASP 217 Cb -0.74 -2.23 1.29 0.00 -0.30 0.00 0.00 42.92 40.95 3a6g s ASP 217 CO 0.44 -0.63 1.86 -0.65 -0.17 0.00 0.00 175.17 176.02 3a6g h PRO 218 N 8.77 0.19 0.00 4.34 0.11 -1.95 -1.02 132.00 142.44 3a6g h PRO 218 Ca -0.27 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a6g h PRO 218 Cb 1.11 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3a6g h PRO 218 CO 0.83 0.13 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 3a6g h ALA 219 N 1.58 1.00 -0.06 -0.75 0.00 -2.01 -2.65 119.26 116.38 3a6g h ALA 219 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3a6g h ALA 219 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3a6g h ALA 219 CO -0.10 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.69 3a6g n ARG 220 N -2.72 1.78 -4.98 0.00 1.74 -0.39 -4.83 116.66 107.28 3a6g n ARG 220 Ca -0.01 -1.15 -0.32 0.00 -0.77 0.00 0.00 57.85 55.60 3a6g n ARG 220 Cb 0.15 -1.46 -0.14 0.00 -1.02 0.00 0.00 32.46 29.98 3a6g n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a6g s THR 221 N -1.94 2.76 0.24 0.55 2.01 -1.00 -4.98 115.64 113.28 3a6g s THR 221 Ca 0.36 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 61.23 3a6g s THR 221 Cb 0.20 -2.08 -0.13 0.00 0.01 0.00 0.00 72.50 70.50 3a6g s THR 221 CO 0.32 0.57 1.41 -2.65 -0.69 0.00 0.00 174.62 173.58 3a6g n PRO 222 N 2.77 2.04 -0.34 4.92 -0.02 -1.26 -4.84 135.00 138.27 3a6g n PRO 222 Ca -0.17 0.73 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 3a6g n PRO 222 Cb 0.52 -2.39 0.33 0.00 -0.02 0.00 0.00 33.50 31.94 3a6g n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6g h ALA 223 N 4.23 1.29 0.00 3.55 0.00 -1.90 0.12 119.26 126.55 3a6g h ALA 223 Ca -0.45 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3a6g h ALA 223 Cb 1.27 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 3a6g h ALA 223 CO 0.76 -0.62 -0.07 -1.35 0.00 0.00 0.00 179.25 177.97 3a6g h PRO 224 N 0.01 0.00 0.00 0.00 0.11 -1.98 -3.46 132.00 126.68 3a6g h PRO 224 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3a6g h PRO 224 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3a6g h PRO 224 CO -0.91 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 177.36 3a6g n GLY 225 N -0.63 1.70 3.83 -0.55 0.00 0.42 -3.77 105.19 106.20 3a6g n GLY 225 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3a6g n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a6g s THR 226 N -2.36 4.55 -0.37 2.61 -4.23 -1.26 -4.49 115.64 110.09 3a6g s THR 226 Ca 0.00 1.19 0.23 0.00 -1.18 0.00 0.00 61.69 61.93 3a6g s THR 226 Cb 0.00 -3.64 -0.11 0.00 1.34 0.00 0.00 72.50 70.08 3a6g s THR 226 CO 0.00 -0.18 0.93 0.18 -0.54 0.00 0.00 174.62 175.01 3a6g n LEU 227 N -0.33 0.57 -3.61 4.79 4.32 -0.87 -4.36 117.00 117.51 3a6g n LEU 227 Ca 0.04 0.11 -0.11 0.00 -0.02 0.00 0.00 56.01 56.03 3a6g n LEU 227 Cb 0.53 -0.07 -0.05 0.00 -1.62 0.00 0.00 43.42 42.22 3a6g n LEU 227 CO 0.40 -0.05 0.20 -0.94 -1.22 0.00 0.00 177.39 175.78 3a6g s SER 228 N -4.55 -0.30 0.17 -1.43 1.04 -1.23 -0.72 113.70 106.68 3a6g s SER 228 Ca -0.00 -0.18 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 3a6g s SER 228 Cb 0.13 0.48 -0.07 0.00 0.10 0.00 0.00 66.02 66.65 3a6g s SER 228 CO 0.82 -0.82 1.06 -0.55 0.98 0.00 0.00 173.24 174.73 3a6g s SER 229 N -2.58 7.33 -0.23 7.02 0.15 -1.25 -4.08 113.70 120.06 3a6g s SER 229 Ca 0.01 2.03 0.14 0.00 0.70 0.00 0.00 55.95 58.83 3a6g s SER 229 Cb 0.01 -2.60 0.81 0.00 -1.71 0.00 0.00 66.02 62.53 3a6g s SER 229 CO -0.09 -0.17 1.74 0.00 1.20 0.00 0.00 173.24 175.92 3a6g n ALA 230 N 2.35 3.82 -0.28 5.45 0.00 -1.26 -3.96 120.51 126.63 3a6g n ALA 230 Ca 0.02 -1.93 0.12 0.00 0.00 0.00 0.00 53.44 51.64 3a6g n ALA 230 Cb 0.47 -1.10 0.36 0.00 0.00 0.00 0.00 19.45 19.18 3a6g n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3a6g h LYS 231 N 3.92 0.70 -0.55 0.00 3.64 -1.92 -1.20 116.57 121.16 3a6g h LYS 231 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3a6g h LYS 231 Cb 1.94 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3a6g h LYS 231 CO 0.47 0.46 0.00 0.25 -2.27 0.00 0.00 179.45 178.37 3a6g n THR 232 N -4.57 0.95 -2.10 1.00 -2.24 -1.26 -4.94 114.28 101.11 3a6g n THR 232 Ca 0.18 -0.68 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 3a6g n THR 232 Cb 0.46 0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.79 3a6g n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a6g s ALA 233 N -1.62 2.65 0.15 6.98 0.00 -0.46 -5.04 121.76 124.43 3a6g s ALA 233 Ca 0.31 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 3a6g s ALA 233 Cb 0.19 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 20.05 3a6g s ALA 233 CO 0.17 -0.89 0.56 -1.54 0.00 0.00 0.00 175.76 174.06 3a6g s SER 234 N -2.17 -0.50 0.29 0.00 1.04 -1.26 -4.95 113.70 106.15 3a6g s SER 234 Ca 0.69 -0.07 -0.00 0.00 0.48 0.00 0.00 55.95 57.05 3a6g s SER 234 Cb -0.21 0.57 0.43 0.00 0.10 0.00 0.00 66.02 66.92 3a6g s SER 234 CO 0.32 -0.95 1.83 -0.09 0.98 0.00 0.00 173.24 175.33 3a6g h ARG 235 N 2.08 0.77 -0.31 4.02 2.43 -1.85 -2.11 114.38 119.41 3a6g h ARG 235 Ca -0.34 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 3a6g h ARG 235 Cb 1.30 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 3a6g h ARG 235 CO 0.40 0.71 0.13 0.93 -1.51 0.00 0.00 179.97 180.63 3a6g h GLU 236 N 0.74 0.27 -0.76 0.20 3.07 -1.96 0.11 114.58 116.27 3a6g h GLU 236 Ca 0.16 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 3a6g h GLU 236 Cb 0.30 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 3a6g h GLU 236 CO 0.00 0.18 0.33 0.87 -1.40 0.00 0.00 179.01 178.99 3a6g h LYS 237 N 0.28 1.11 -0.58 2.33 1.57 -1.84 -2.12 116.57 117.32 3a6g h LYS 237 Ca 0.13 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3a6g h LYS 237 Cb 0.07 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3a6g h LYS 237 CO -0.11 0.88 0.09 0.78 -0.57 0.00 0.00 179.45 180.52 3a6g h GLY 238 N 1.13 1.00 1.79 3.86 0.00 -0.65 -0.44 103.07 109.76 3a6g h GLY 238 Ca 0.26 -0.63 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 3a6g h GLY 238 CO -0.03 0.59 -0.37 0.83 0.00 0.00 0.00 176.54 177.56 3a6g h GLU 239 N 0.88 0.24 -0.03 4.80 5.08 -0.44 0.42 114.58 125.53 3a6g h GLU 239 Ca 0.18 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3a6g h GLU 239 Cb 0.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 3a6g h GLU 239 CO 0.01 0.58 -0.04 1.25 -1.00 0.00 0.00 179.01 179.81 3a6g h LEU 240 N 0.21 0.09 -0.33 1.33 5.85 -0.92 -2.41 115.31 119.12 3a6g h LEU 240 Ca 0.02 -0.53 0.04 0.00 0.84 0.00 0.00 57.88 58.26 3a6g h LEU 240 Cb 0.75 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 3a6g h LEU 240 CO 0.06 0.60 0.08 0.40 -0.34 0.00 0.00 178.44 179.24 3a6g h ILE 241 N -0.41 0.86 -0.08 4.05 2.04 -0.92 -1.80 117.51 121.24 3a6g h ILE 241 Ca 0.00 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3a6g h ILE 241 Cb 0.58 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3a6g h ILE 241 CO 0.01 0.04 -0.11 0.25 0.00 0.00 0.00 178.15 178.34 3a6g h LEU 242 N 0.21 -0.34 -0.75 1.44 5.85 -0.93 -0.97 115.31 119.82 3a6g h LEU 242 Ca 0.15 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3a6g h LEU 242 Cb 0.15 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3a6g h LEU 242 CO -0.19 -0.15 0.31 -0.08 -0.34 0.00 0.00 178.44 178.00 3a6g h GLU 243 N -0.15 1.12 -0.62 1.25 4.57 -1.20 -0.44 114.58 119.11 3a6g h GLU 243 Ca 0.07 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3a6g h GLU 243 Cb 0.25 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3a6g h GLU 243 CO -0.17 0.90 0.08 -0.24 -1.18 0.00 0.00 179.01 178.41 3a6g h VAL 244 N 1.08 1.26 -0.03 0.32 3.04 -1.10 -1.31 116.25 119.52 3a6g h VAL 244 Ca 0.25 -1.03 -0.01 0.00 -1.01 0.00 0.00 66.70 64.90 3a6g h VAL 244 Cb 0.19 0.72 -0.00 0.00 -2.01 0.00 0.00 31.29 30.20 3a6g h VAL 244 CO -0.02 0.38 -0.01 0.00 -1.01 0.00 0.00 177.57 176.91 3a6g h VAL 246 N -0.28 1.02 -0.13 0.00 2.07 -1.06 0.11 116.25 117.98 3a6g h VAL 246 Ca 0.01 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3a6g h VAL 246 Cb 0.38 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3a6g h VAL 246 CO 0.00 0.05 0.07 -0.61 0.02 0.00 0.00 177.57 177.11 3a6g h GLN 247 N 0.28 0.17 -0.51 1.57 5.75 -1.26 -0.54 115.11 120.58 3a6g h GLN 247 Ca 0.10 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 3a6g h GLN 247 Cb 0.00 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3a6g h GLN 247 CO -0.05 0.17 0.23 0.78 -2.65 0.00 0.00 178.83 177.31 3a6g h GLY 248 N 0.13 0.79 1.14 2.39 0.00 -0.94 -1.69 103.07 104.89 3a6g h GLY 248 Ca 0.05 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 3a6g h GLY 248 CO -0.01 0.39 -0.37 -2.22 0.00 0.00 0.00 176.54 174.34 3a6g h ILE 249 N 0.67 1.27 -0.66 2.60 2.04 -0.92 -1.89 117.51 120.62 3a6g h ILE 249 Ca 0.17 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3a6g h ILE 249 Cb 0.15 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3a6g h ILE 249 CO -0.02 0.52 0.43 0.00 0.00 0.00 0.00 178.15 179.08 3a6g h ALA 250 N 0.79 0.84 -0.47 1.87 0.00 -0.98 -0.80 119.26 120.51 3a6g h ALA 250 Ca 0.07 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a6g h ALA 250 Cb 0.96 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3a6g h ALA 250 CO 0.09 0.28 -0.02 -0.44 0.00 0.00 0.00 179.25 179.16 3a6g h ASP 251 N 0.90 0.77 -0.54 0.00 3.32 -1.20 -1.55 116.42 118.12 3a6g h ASP 251 Ca 0.24 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3a6g h ASP 251 Cb -0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3a6g h ASP 251 CO -0.05 0.85 0.14 0.00 -1.72 0.00 0.00 179.24 178.46 3a6g h ALA 252 N 1.23 0.71 -0.39 3.45 0.00 -0.76 -1.92 119.26 121.58 3a6g h ALA 252 Ca 0.14 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3a6g h ALA 252 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a6g h ALA 252 CO 0.02 0.40 -0.22 0.82 0.00 0.00 0.00 179.25 180.27 3a6g h ILE 253 N 0.76 1.27 -0.22 0.00 2.04 -0.94 -1.08 117.51 119.34 3a6g h ILE 253 Ca 0.17 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 3a6g h ILE 253 Cb 0.33 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3a6g h ILE 253 CO 0.00 0.45 -0.12 0.03 0.00 0.00 0.00 178.15 178.51 3a6g h ARG 254 N 0.68 0.36 -0.06 2.37 3.08 -1.10 0.29 114.38 120.00 3a6g h ARG 254 Ca 0.09 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3a6g h ARG 254 Cb 0.73 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.74 3a6g h ARG 254 CO 0.06 0.48 -0.44 1.49 -1.07 0.00 0.00 179.97 180.49 3a6g h GLU 255 N 0.34 0.40 0.00 0.04 4.57 -0.98 -3.22 114.58 115.73 3a6g h GLU 255 Ca 0.07 -0.36 -0.17 0.00 -1.18 0.00 0.00 59.36 57.72 3a6g h GLU 255 Cb 0.42 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 3a6g h GLU 255 CO 0.02 1.00 -0.90 0.93 -1.18 0.00 0.00 179.01 178.89 3a6g h GLU 256 N -0.08 0.00 -2.16 1.92 4.39 -1.07 -3.38 114.58 114.20 3a6g h GLU 256 Ca -0.04 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.08 3a6g h GLU 256 Cb 1.11 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.35 3a6g h GLU 256 CO 0.09 0.72 -0.74 1.19 -1.16 0.00 0.00 179.01 179.11 3a6g n PHE 257 N -3.25 2.74 -1.73 4.33 3.72 0.10 -5.08 117.46 118.29 3a6g n PHE 257 Ca -0.01 -3.99 -0.37 0.00 -0.05 0.00 0.00 57.45 53.03 3a6g n PHE 257 Cb 0.87 -0.50 0.07 0.00 -0.94 0.00 0.00 39.48 38.98 3a6g n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3a6g s PRO 258 N -2.42 2.53 0.00 -1.08 0.02 -1.22 -4.70 135.00 128.14 3a6g s PRO 258 Ca 0.41 2.04 0.01 0.00 0.02 0.00 0.00 61.00 63.48 3a6g s PRO 258 Cb 0.19 -1.85 0.07 0.00 0.02 0.00 0.00 34.50 32.94 3a6g s PRO 258 CO -0.06 -1.61 0.57 -2.30 -0.33 0.00 0.00 177.00 173.27