#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 -0.47 0.00 3.14 0.15 -1.26 -5.02 113.70 110.23 3a6g s SER 4 Ca 0.00 0.27 0.25 0.00 0.70 0.00 0.00 55.95 57.17 3a6g s SER 4 Cb 0.00 0.44 0.49 0.00 -1.71 0.00 0.00 66.02 65.24 3a6g s SER 4 CO 0.00 -0.61 1.40 1.33 1.20 0.00 0.00 173.24 176.55 3a6g n VAL 5 N 0.25 0.00 -3.11 4.45 0.24 -1.26 -4.85 118.33 114.05 3a6g n VAL 5 Ca -0.13 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.34 61.61 3a6g n VAL 5 Cb 0.60 0.65 -0.06 0.00 -1.47 0.00 0.00 33.84 33.55 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 -2.56 3.23 0.29 6.34 0.40 -1.26 0.83 117.98 125.26 3a6g s PHE 6 Ca 0.21 0.66 0.03 0.00 -0.60 0.00 0.00 56.93 57.23 3a6g s PHE 6 Cb 0.19 -2.95 0.65 0.00 0.51 0.00 0.00 43.02 41.42 3a6g s PHE 6 CO 0.56 -0.43 1.78 0.28 0.70 0.00 0.00 175.22 178.11 3a6g h VAL 7 N 5.50 0.74 0.00 -0.44 2.07 -1.26 -0.07 116.25 122.79 3a6g h VAL 7 Ca -0.27 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3a6g h VAL 7 Cb 1.12 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3a6g h VAL 7 CO 0.79 0.14 -0.03 1.23 0.02 0.00 0.00 177.57 179.72 3a6g h GLY 8 N 0.75 0.00 -1.56 2.17 0.00 -1.93 -1.79 103.07 100.71 3a6g h GLY 8 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3a6g h GLY 8 CO -0.36 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.36 3a6g n GLU 9 N -3.64 2.10 -4.04 4.80 1.02 -0.04 -4.91 120.64 115.92 3a6g n GLU 9 Ca -0.03 -1.67 -0.25 0.00 -0.02 0.00 0.00 57.16 55.19 3a6g n GLU 9 Cb 0.12 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.47 3.99 0.59 -4.62 1.43 -0.67 -4.89 118.68 113.04 3a6g s LEU 10 Ca 0.35 -0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.32 3a6g s LEU 10 Cb 0.20 -2.57 -0.00 0.00 0.03 0.00 0.00 46.19 43.84 3a6g s LEU 10 CO 0.28 0.03 0.93 0.42 0.23 0.00 0.00 176.35 178.24 3a6g s THR 11 N -1.84 3.99 0.44 5.49 -4.23 -1.26 -4.91 115.64 113.32 3a6g s THR 11 Ca 0.32 0.24 0.17 0.00 -1.18 0.00 0.00 61.69 61.24 3a6g s THR 11 Cb -0.10 -3.59 0.20 0.00 1.34 0.00 0.00 72.50 70.36 3a6g s THR 11 CO 0.26 -0.65 2.01 4.11 -0.54 0.00 0.00 174.62 179.80 3a6g h TRP 12 N -0.21 0.00 -0.36 3.99 5.08 -1.99 -2.10 115.95 120.35 3a6g h TRP 12 Ca -0.45 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.46 3a6g h TRP 12 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.38 3a6g h TRP 12 CO 0.52 0.17 0.01 0.87 -1.28 0.00 0.00 178.44 178.74 3a6g h LYS 13 N 0.00 0.63 -0.54 0.12 1.79 -1.99 0.48 116.57 117.07 3a6g h LYS 13 Ca -0.00 -0.20 -0.06 0.00 -2.18 0.00 0.00 60.65 58.21 3a6g h LYS 13 Cb 0.33 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 3a6g h LYS 13 CO 0.02 0.73 0.09 0.93 -1.08 0.00 0.00 179.45 180.15 3a6g h GLU 14 N 0.46 0.89 -0.27 3.15 5.08 -1.84 -1.45 114.58 120.60 3a6g h GLU 14 Ca 0.11 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3a6g h GLU 14 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3a6g h GLU 14 CO 0.02 0.87 0.11 -0.92 -1.00 0.00 0.00 179.01 178.08 3a6g h TYR 15 N 0.78 0.41 -0.58 4.33 3.20 -1.29 -2.26 116.97 121.57 3a6g h TYR 15 Ca 0.16 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3a6g h TYR 15 Cb 0.40 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3a6g h TYR 15 CO 0.03 0.42 0.28 1.49 -1.64 0.00 0.00 178.16 178.74 3a6g h GLU 16 N 0.29 0.51 -0.93 1.82 4.81 -0.70 -1.71 114.58 118.66 3a6g h GLU 16 Ca 0.09 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3a6g h GLU 16 Cb 0.18 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3a6g h GLU 16 CO -0.01 0.33 0.54 0.00 -0.73 0.00 0.00 179.01 179.15 3a6g h ALA 17 N 1.34 1.20 -0.54 2.92 0.00 -1.08 -0.38 119.26 122.70 3a6g h ALA 17 Ca 0.27 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3a6g h ALA 17 Cb 0.22 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3a6g h ALA 17 CO -0.21 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.62 3a6g h ARG 18 N 1.30 1.01 0.00 0.00 2.47 -0.76 -2.98 114.38 115.41 3a6g h ARG 18 Ca 0.33 -0.36 -0.17 0.00 -1.26 0.00 0.00 59.98 58.52 3a6g h ARG 18 Cb -0.02 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3a6g h ARG 18 CO -0.06 1.04 -0.81 -0.24 0.56 0.00 0.00 179.97 180.46 3a6g h VAL 19 N 0.90 1.53 0.00 2.04 3.04 -1.13 -3.11 116.25 119.52 3a6g h VAL 19 Ca 0.14 -2.83 0.00 0.00 -1.01 0.00 0.00 66.70 63.01 3a6g h VAL 19 Cb 0.65 2.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.47 3a6g h VAL 19 CO 0.04 0.80 0.00 0.00 -1.01 0.00 0.00 177.57 177.40 3a6g h ALA 20 N 1.19 1.00 0.00 3.17 0.00 -0.91 -0.73 119.26 122.98 3a6g h ALA 20 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3a6g h ALA 20 Cb 1.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3a6g h ALA 20 CO 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.23 3a6g h ALA 21 N 2.00 1.23 0.00 0.00 0.00 -1.55 -3.47 119.26 117.47 3a6g h ALA 21 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a6g h ALA 21 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3a6g h ALA 21 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.82 3a6g n GLY 22 N -0.56 1.10 0.37 0.00 0.00 -0.28 -4.84 105.19 100.99 3a6g n GLY 22 Ca -0.01 0.00 0.01 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 0.23 -4.74 1.61 5.75 -1.26 -5.00 116.55 113.13 3a6g n ASP 23 Ca 0.00 -1.91 -0.41 0.00 -0.01 0.00 0.00 54.79 52.45 3a6g n ASP 23 Cb 0.00 -0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 39.89 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 0.13 4.83 0.03 0.00 1.01 -1.26 -4.25 120.40 120.89 3a6g s VAL 25 Ca 0.61 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.60 3a6g s VAL 25 Cb -0.43 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3a6g s VAL 25 CO 0.43 0.41 0.05 -0.76 0.00 0.00 0.00 175.10 175.22 3a6g s LEU 26 N 0.79 3.72 -0.04 3.92 1.02 -0.27 -1.52 118.68 126.29 3a6g s LEU 26 Ca 0.05 0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.26 3a6g s LEU 26 Cb -0.13 -2.25 -0.00 0.00 0.02 0.00 0.00 46.19 43.83 3a6g s LEU 26 CO 0.02 0.24 -0.15 -0.04 0.02 0.00 0.00 176.35 176.44 3a6g s MET 27 N -1.93 1.58 -0.22 1.70 -1.94 0.54 -0.57 119.30 118.47 3a6g s MET 27 Ca 0.24 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 3a6g s MET 27 Cb -0.12 -1.40 0.05 0.00 2.01 0.00 0.00 34.83 35.38 3a6g s MET 27 CO 0.16 0.22 -0.09 -1.17 -0.01 0.00 0.00 175.02 174.13 3a6g s LEU 28 N 0.06 2.53 0.14 -0.03 2.96 0.28 0.06 118.68 124.68 3a6g s LEU 28 Ca -0.03 -1.05 -0.30 0.00 -0.22 0.00 0.00 54.13 52.52 3a6g s LEU 28 Cb -0.11 -1.26 -0.07 0.00 0.50 0.00 0.00 46.19 45.26 3a6g s LEU 28 CO 0.02 -0.18 1.01 -2.84 -1.32 0.00 0.00 176.35 173.03 3a6g s PRO 29 N 1.35 4.67 -0.19 0.98 0.02 -1.26 -1.40 135.00 139.17 3a6g s PRO 29 Ca -0.04 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.53 3a6g s PRO 29 Cb -0.18 -3.34 0.04 0.00 0.02 0.00 0.00 34.50 31.05 3a6g s PRO 29 CO -0.07 0.18 -0.09 0.08 -0.33 0.00 0.00 177.00 176.77 3a6g s VAL 30 N -0.14 1.50 0.00 3.83 1.01 -0.45 -1.15 120.40 125.00 3a6g s VAL 30 Ca 0.47 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3a6g s VAL 30 Cb -0.26 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.52 3a6g s VAL 30 CO 0.32 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3a6g n GLY 31 N 4.73 4.53 3.60 4.51 0.00 -0.31 -0.58 105.19 121.68 3a6g n GLY 31 Ca -0.14 -1.10 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.13 -0.40 4.61 0.00 -1.21 -3.11 121.76 117.52 3a6g s ALA 32 Ca 0.00 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.31 3a6g s ALA 32 Cb 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.18 3a6g s ALA 32 CO 0.00 -0.70 0.21 -1.17 0.00 0.00 0.00 175.76 174.10 3a6g s LEU 33 N -2.36 5.04 -0.02 0.00 2.96 -1.10 -4.21 118.68 118.99 3a6g s LEU 33 Ca 0.11 -1.64 -0.06 0.00 -0.22 0.00 0.00 54.13 52.32 3a6g s LEU 33 Cb 0.00 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3a6g s LEU 33 CO -0.04 -0.51 0.14 -0.70 -1.32 0.00 0.00 176.35 173.92 3a6g s GLU 34 N 1.32 0.36 0.31 1.98 2.12 -0.26 -1.30 118.70 123.22 3a6g s GLU 34 Ca 0.03 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.91 3a6g s GLU 34 Cb -0.23 0.15 -0.12 0.00 0.26 0.00 0.00 34.13 34.20 3a6g s GLU 34 CO -0.00 -0.08 1.52 0.00 -0.54 0.00 0.00 175.26 176.16 3a6g n GLN 35 N 2.07 2.54 -2.62 4.30 -0.00 -1.26 -4.34 117.38 118.06 3a6g n GLN 35 Ca -0.19 0.90 -0.17 0.00 -0.00 0.00 0.00 57.00 57.55 3a6g n GLN 35 Cb 0.57 -2.63 0.01 0.00 -0.00 0.00 0.00 30.24 28.19 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 1.60 2.04 -3.91 2.61 8.25 -1.26 -4.97 115.22 119.57 3a6g n HIS 36 Ca 0.07 -2.99 0.00 0.00 -0.26 0.00 0.00 57.72 54.54 3a6g n HIS 36 Cb 0.36 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.21 -1.92 0.06 -1.41 0.00 -1.25 -3.51 105.19 96.96 3a6g n GLY 37 Ca 0.21 -1.36 0.12 0.00 0.00 0.00 0.00 46.02 45.00 3a6g n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a6g n HIS 38 N -0.44 0.55 0.87 1.61 8.25 -1.26 -4.24 115.22 120.56 3a6g n HIS 38 Ca 0.00 0.16 0.10 0.00 -0.26 0.00 0.00 57.72 57.72 3a6g n HIS 38 Cb 0.01 -0.67 -0.12 0.00 1.12 0.00 0.00 29.99 30.32 3a6g n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3a6g n HIS 39 N -2.04 0.00 -4.22 4.41 1.44 -1.26 -4.84 115.22 108.72 3a6g n HIS 39 Ca 0.04 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 3a6g n HIS 39 Cb 0.42 -0.07 -0.10 0.00 0.12 0.00 0.00 29.99 30.36 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 -3.07 0.97 0.99 -1.40 -1.94 -1.23 -0.92 119.30 112.71 3a6g s MET 40 Ca 0.06 -1.32 -0.14 0.00 -1.71 0.00 0.00 55.69 52.58 3a6g s MET 40 Cb 0.16 -0.59 0.19 0.00 2.01 0.00 0.00 34.83 36.59 3a6g s MET 40 CO 0.87 0.08 1.14 0.00 -0.01 0.00 0.00 175.02 177.10 3a6g n MET 42 N -4.06 0.82 -0.57 0.00 0.00 -1.26 -4.08 117.12 107.96 3a6g n MET 42 Ca 0.08 -0.48 0.09 0.00 0.00 0.00 0.00 57.70 57.39 3a6g n MET 42 Cb 0.59 -1.49 0.34 0.00 0.00 0.00 0.00 33.22 32.66 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 -0.67 4.49 -0.26 7.83 0.23 -1.26 -1.10 115.26 124.52 3a6g n ASN 43 Ca 0.12 -2.39 0.06 0.00 -0.53 0.00 0.00 54.58 51.85 3a6g n ASN 43 Cb 0.35 -0.56 0.19 0.00 -2.08 0.00 0.00 39.78 37.68 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 3.93 0.42 0.00 3.53 2.07 -1.82 -0.11 116.25 124.27 3a6g h VAL 44 Ca 0.00 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3a6g h VAL 44 Cb 1.36 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3a6g h VAL 44 CO 0.21 0.04 0.00 0.44 0.02 0.00 0.00 177.57 178.27 3a6g h ASP 45 N 0.19 0.00 0.01 0.57 5.19 -1.81 -1.62 116.42 118.95 3a6g h ASP 45 Ca 0.43 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.50 3a6g h ASP 45 Cb 0.77 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 3a6g h ASP 45 CO -0.59 0.00 -1.88 0.52 -3.12 0.00 0.00 179.24 174.17 3a6g n VAL 46 N -2.89 1.56 -0.13 -1.35 0.31 -0.18 -4.02 118.33 111.62 3a6g n VAL 46 Ca -0.02 -0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 63.99 3a6g n VAL 46 Cb 0.09 -1.91 0.03 0.00 -0.91 0.00 0.00 33.84 31.15 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 -0.81 0.22 0.32 7.52 3.38 -0.86 -2.54 115.31 122.54 3a6g h LEU 47 Ca -0.50 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 3a6g h LEU 47 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 3a6g h LEU 47 CO -0.25 0.17 -0.15 -0.07 0.09 0.00 0.00 178.44 178.22 3a6g h LEU 48 N 0.36 -0.36 -1.58 1.67 3.38 -1.55 -0.75 115.31 116.48 3a6g h LEU 48 Ca 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3a6g h LEU 48 Cb 0.14 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3a6g h LEU 48 CO -0.16 -0.13 -0.09 1.55 0.09 0.00 0.00 178.44 179.70 3a6g h PRO 49 N -0.60 0.16 -0.48 1.13 0.13 -1.75 -0.74 132.00 129.85 3a6g h PRO 49 Ca -0.04 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 3a6g h PRO 49 Cb 0.43 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 3a6g h PRO 49 CO 0.07 0.26 -0.07 1.15 -0.23 0.00 0.00 178.00 179.18 3a6g h THR 50 N 0.16 1.27 -0.45 1.56 2.02 -1.31 0.77 112.91 116.92 3a6g h THR 50 Ca 0.03 -1.18 -0.12 0.00 0.77 0.00 0.00 66.41 65.92 3a6g h THR 50 Cb 0.26 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 3a6g h THR 50 CO 0.01 0.41 -0.18 0.00 0.37 0.00 0.00 175.52 176.13 3a6g h ALA 51 N 0.90 0.83 -0.29 6.16 0.00 -0.55 -0.91 119.26 125.41 3a6g h ALA 51 Ca 0.13 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3a6g h ALA 51 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3a6g h ALA 51 CO 0.04 0.65 -0.24 0.28 0.00 0.00 0.00 179.25 179.98 3a6g h VAL 52 N 0.77 1.30 -0.51 0.00 2.07 -1.00 -2.73 116.25 116.15 3a6g h VAL 52 Ca 0.11 -1.39 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3a6g h VAL 52 Cb 0.72 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3a6g h VAL 52 CO 0.05 0.44 0.32 0.00 0.02 0.00 0.00 177.57 178.41 3a6g h LYS 54 N 0.66 0.00 -0.56 0.00 3.64 -1.09 0.19 116.57 119.40 3a6g h LYS 54 Ca 0.19 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3a6g h LYS 54 Cb -0.04 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3a6g h LYS 54 CO -0.06 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.08 3a6g h ARG 55 N 0.00 1.02 -0.39 1.90 3.08 -1.24 -1.50 114.38 117.25 3a6g h ARG 55 Ca 0.13 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 3a6g h ARG 55 Cb 0.20 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3a6g h ARG 55 CO -0.29 1.03 0.10 0.28 -1.07 0.00 0.00 179.97 180.03 3a6g h VAL 56 N 0.90 1.22 -1.00 2.04 2.07 -0.91 -2.81 116.25 117.76 3a6g h VAL 56 Ca 0.15 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.94 3a6g h VAL 56 Cb 0.60 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3a6g h VAL 56 CO 0.04 0.26 0.66 0.00 0.02 0.00 0.00 177.57 178.55 3a6g h ALA 57 N 0.95 1.31 -0.15 1.67 0.00 -0.45 -0.58 119.26 122.01 3a6g h ALA 57 Ca 0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3a6g h ALA 57 Cb 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a6g h ALA 57 CO -0.00 0.61 -0.12 0.93 0.00 0.00 0.00 179.25 180.67 3a6g h GLU 58 N 1.32 0.23 0.00 0.00 5.08 -1.11 0.22 114.58 120.32 3a6g h GLU 58 Ca 0.38 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.45 3a6g h GLU 58 Cb -0.08 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3a6g h GLU 58 CO -0.10 0.36 -1.32 0.00 -1.00 0.00 0.00 179.01 176.95 3a6g h ARG 59 N 0.22 0.00 0.00 2.33 3.08 -1.04 -3.37 114.38 115.60 3a6g h ARG 59 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3a6g h ARG 59 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3a6g h ARG 59 CO 0.02 0.72 -0.92 -0.89 -1.07 0.00 0.00 179.97 177.83 3a6g n ILE 60 N -3.19 0.00 -2.31 2.04 2.08 -0.32 -5.00 119.36 112.66 3a6g n ILE 60 Ca -0.08 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3a6g n ILE 60 Cb 0.98 0.88 0.00 0.00 -0.75 0.00 0.00 39.64 40.75 3a6g n ILE 60 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3a6g n GLY 61 N 1.41 0.96 3.96 7.39 0.00 0.71 -5.04 105.19 114.58 3a6g n GLY 61 Ca 0.02 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.92 4.49 0.07 4.61 0.00 -0.75 -4.68 121.76 122.58 3a6g s ALA 62 Ca 0.00 -1.72 0.09 0.00 0.00 0.00 0.00 51.96 50.33 3a6g s ALA 62 Cb 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 3a6g s ALA 62 CO 0.00 -0.56 -0.25 -0.51 0.00 0.00 0.00 175.76 174.44 3a6g s LEU 63 N -4.41 2.21 -0.19 0.00 1.02 -0.58 -4.71 118.68 112.02 3a6g s LEU 63 Ca 0.48 -0.63 -0.03 0.00 0.02 0.00 0.00 54.13 53.98 3a6g s LEU 63 Cb -0.04 -1.19 -0.01 0.00 0.02 0.00 0.00 46.19 44.97 3a6g s LEU 63 CO 0.30 0.21 -0.07 -0.69 0.02 0.00 0.00 176.35 176.12 3a6g s VAL 64 N -0.89 3.31 0.62 -1.59 1.01 0.24 -0.34 120.40 122.75 3a6g s VAL 64 Ca 0.11 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 3a6g s VAL 64 Cb -0.10 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3a6g s VAL 64 CO 0.03 0.46 1.03 -0.04 0.00 0.00 0.00 175.10 176.58 3a6g s MET 65 N 1.12 3.59 0.29 2.72 -1.94 0.11 -0.73 119.30 124.45 3a6g s MET 65 Ca 0.01 0.78 -0.30 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 -0.01 -0.58 1.61 -2.30 -0.01 0.00 0.00 175.02 173.73 3a6g n PRO 66 N -2.67 2.73 -2.35 2.03 -0.02 -1.26 -4.44 135.00 129.02 3a6g n PRO 66 Ca 0.06 0.97 -0.34 0.00 -2.02 0.00 0.00 63.50 62.18 3a6g n PRO 66 Cb 0.54 -2.76 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 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 0.53 2.44 -0.32 -1.23 0.00 -1.26 -4.68 107.32 102.79 3a6g s GLY 67 Ca 0.64 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.67 3a6g s GLY 67 CO 0.48 0.93 1.12 1.08 0.00 0.00 0.00 173.10 176.71 3a6g s LEU 68 N -3.82 3.92 0.25 0.66 1.02 -0.30 -4.91 118.68 115.50 3a6g s LEU 68 Ca 0.68 1.07 0.13 0.00 0.02 0.00 0.00 54.13 56.03 3a6g s LEU 68 Cb -0.18 -3.54 0.14 0.00 0.02 0.00 0.00 46.19 42.63 3a6g s LEU 68 CO 0.26 -0.92 1.47 1.56 0.02 0.00 0.00 176.35 178.74 3a6g h GLN 69 N 8.33 0.00 -5.67 1.70 1.08 -1.89 -0.82 115.11 117.84 3a6g h GLN 69 Ca -0.22 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.31 3a6g h GLN 69 Cb 1.07 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.24 3a6g h GLN 69 CO 1.04 0.65 -0.78 0.71 -0.95 0.00 0.00 178.83 179.49 3a6g s TYR 70 N -3.09 2.75 0.00 2.96 1.51 -1.26 -2.72 117.35 117.50 3a6g s TYR 70 Ca 0.02 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 3a6g s TYR 70 Cb 0.10 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 40.19 3a6g s TYR 70 CO 0.76 -0.09 0.00 0.41 -1.11 0.00 0.00 175.55 175.51 3a6g n GLY 71 N 3.11 4.18 3.78 0.71 0.00 -1.18 -4.77 105.19 111.01 3a6g n GLY 71 Ca -0.18 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.11 2.65 0.13 1.61 5.04 -1.26 -0.96 117.35 123.46 3a6g s TYR 72 Ca 0.00 1.54 -0.35 0.00 -2.44 0.00 0.00 57.07 55.82 3a6g s TYR 72 Cb 0.00 -3.03 -0.16 0.00 0.35 0.00 0.00 41.96 39.12 3a6g s TYR 72 CO 0.00 -1.71 1.27 1.63 -1.34 0.00 0.00 175.55 175.40 3a6g n LYS 73 N -3.40 1.23 -2.04 4.97 5.02 -1.24 -4.74 118.16 117.95 3a6g n LYS 73 Ca 0.09 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 3a6g n LYS 73 Cb 0.53 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 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 6.70 -0.09 4.39 0.15 -1.26 -4.89 113.70 118.97 3a6g s SER 74 Ca 0.79 2.52 -0.05 0.00 0.70 0.00 0.00 55.95 59.91 3a6g s SER 74 Cb -0.89 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 60.79 3a6g s SER 74 CO 0.49 -0.72 0.11 -1.10 1.20 0.00 0.00 173.24 173.22 3a6g s GLN 75 N 0.71 3.32 0.22 5.44 -1.52 -1.26 -1.81 119.66 124.76 3a6g s GLN 75 Ca 0.65 -0.24 -0.11 0.00 -1.95 0.00 0.00 55.36 53.71 3a6g s GLN 75 Cb -0.41 -3.07 0.30 0.00 -0.22 0.00 0.00 33.01 29.61 3a6g s GLN 75 CO 0.34 0.74 1.64 0.37 -0.25 0.00 0.00 175.29 178.13 3a6g h GLN 76 N 4.78 0.05 0.00 2.91 4.15 -1.91 0.37 115.11 125.46 3a6g h GLN 76 Ca -0.53 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3a6g h GLN 76 Cb 1.21 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3a6g h GLN 76 CO 0.59 0.03 0.00 1.63 -1.93 0.00 0.00 178.83 179.15 3a6g n LYS 77 N -5.38 0.42 0.00 1.69 5.02 -1.26 -2.34 118.16 116.32 3a6g n LYS 77 Ca 0.09 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3a6g n LYS 77 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.26 3.41 -0.04 4.39 3.41 -0.64 -4.83 113.62 118.06 3a6g n SER 78 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3a6g n SER 78 Cb 0.20 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 2.17 -1.25 0.94 5.00 0.00 0.12 -4.45 105.19 107.73 3a6g n GLY 79 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.14 2.81 0.00 -0.02 0.00 -0.89 -4.79 105.19 102.16 3a6g n GLY 80 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 3.60 1.01 -0.02 0.00 -1.20 -4.35 105.19 104.23 3a6g n GLY 81 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.37 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 2.65 0.00 1.61 5.15 -0.75 -3.59 115.26 120.33 3a6g n ASN 82 Ca 0.00 -2.33 0.11 0.00 -0.60 0.00 0.00 54.58 51.75 3a6g n ASN 82 Cb 0.00 -0.57 -0.02 0.00 -0.53 0.00 0.00 39.78 38.67 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 0.18 0.02 -2.36 1.20 1.44 -1.26 -4.96 115.22 109.48 3a6g n HIS 83 Ca 0.10 0.01 -0.36 0.00 -2.01 0.00 0.00 57.72 55.46 3a6g n HIS 83 Cb 0.60 -0.12 -0.02 0.00 0.12 0.00 0.00 29.99 30.57 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 -3.04 2.95 0.75 -1.40 0.40 -1.24 -5.02 117.98 111.38 3a6g s PHE 84 Ca 0.08 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.87 3a6g s PHE 84 Cb 0.16 -3.26 0.04 0.00 0.51 0.00 0.00 43.02 40.47 3a6g s PHE 84 CO 0.82 -1.22 1.08 -2.14 0.70 0.00 0.00 175.22 174.46 3a6g s PRO 85 N -2.82 2.50 0.00 0.24 0.02 -1.26 -3.77 135.00 129.92 3a6g s PRO 85 Ca 0.64 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.68 3a6g s PRO 85 Cb -0.25 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3a6g s PRO 85 CO 0.30 -1.42 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 3a6g n GLY 86 N -1.63 1.90 3.67 0.52 0.00 -1.26 -4.69 105.19 103.70 3a6g n GLY 86 Ca 0.08 -0.22 -0.49 0.00 0.00 0.00 0.00 46.02 45.39 3a6g n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a6g n THR 87 N 0.00 0.23 -3.81 2.61 -1.04 -1.25 -4.72 114.28 106.31 3a6g n THR 87 Ca 0.00 -0.04 -0.30 0.00 -2.04 0.00 0.00 64.05 61.67 3a6g n THR 87 Cb 0.00 -1.49 -0.15 0.00 -1.82 0.00 0.00 70.33 66.87 3a6g n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3a6g s THR 88 N 2.21 1.19 0.13 12.58 2.01 -0.42 -4.97 115.64 128.37 3a6g s THR 88 Ca 0.87 -1.53 0.05 0.00 0.31 0.00 0.00 61.69 61.39 3a6g s THR 88 Cb -0.78 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 3a6g s THR 88 CO 0.47 -0.59 0.05 -0.44 -0.69 0.00 0.00 174.62 173.43 3a6g s SER 89 N 1.47 5.21 0.28 3.53 0.01 -1.26 -4.41 113.70 118.52 3a6g s SER 89 Ca 0.08 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.18 3a6g s SER 89 Cb -0.18 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.73 3a6g s SER 89 CO -0.19 0.13 0.45 -0.76 0.41 0.00 0.00 173.24 173.28 3a6g s LEU 90 N -2.68 4.15 0.64 2.44 1.43 -0.13 -4.88 118.68 119.65 3a6g s LEU 90 Ca 0.28 0.35 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 3a6g s LEU 90 Cb -0.11 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 3a6g s LEU 90 CO 0.21 -0.16 1.05 -1.81 0.23 0.00 0.00 176.35 175.87 3a6g s ASP 91 N -3.75 5.65 0.21 2.29 1.01 -1.26 -3.70 116.67 117.13 3a6g s ASP 91 Ca 0.38 1.68 -0.09 0.00 0.71 0.00 0.00 52.55 55.23 3a6g s ASP 91 Cb -0.10 -2.51 0.24 0.00 1.01 0.00 0.00 42.92 41.57 3a6g s ASP 91 CO 0.32 -1.26 1.82 1.23 0.21 0.00 0.00 175.17 177.49 3a6g h GLY 92 N -0.16 1.01 1.55 0.21 0.00 -1.98 -2.35 103.07 101.36 3a6g h GLY 92 Ca -0.45 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 3a6g h GLY 92 CO 0.58 0.18 0.18 0.00 0.00 0.00 0.00 176.54 177.48 3a6g h ALA 93 N 1.35 1.54 -0.17 3.60 0.00 -1.99 -1.27 119.26 122.32 3a6g h ALA 93 Ca 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3a6g h ALA 93 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a6g h ALA 93 CO -0.17 0.37 0.02 1.15 0.00 0.00 0.00 179.25 180.62 3a6g h THR 94 N 0.58 1.23 -0.39 0.00 2.02 -1.80 -0.14 112.91 114.41 3a6g h THR 94 Ca 0.15 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 3a6g h THR 94 Cb 0.10 1.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3a6g h THR 94 CO -0.02 0.22 0.07 0.25 0.37 0.00 0.00 175.52 176.41 3a6g h LEU 95 N 0.06 0.61 -0.36 2.58 5.85 -1.27 -1.76 115.31 121.02 3a6g h LEU 95 Ca 0.05 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.54 3a6g h LEU 95 Cb 0.32 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3a6g h LEU 95 CO 0.00 0.71 0.16 0.74 -0.34 0.00 0.00 178.44 179.72 3a6g h THR 96 N 0.49 0.96 -0.47 1.05 2.02 -1.18 -2.00 112.91 113.78 3a6g h THR 96 Ca 0.12 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3a6g h THR 96 Cb 0.36 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3a6g h THR 96 CO 0.01 0.06 0.21 1.23 0.37 0.00 0.00 175.52 177.40 3a6g h GLY 97 N 0.34 0.70 0.80 2.16 0.00 -0.84 -0.79 103.07 105.44 3a6g h GLY 97 Ca 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3a6g h GLY 97 CO -0.12 0.30 -0.00 -0.84 0.00 0.00 0.00 176.54 175.88 3a6g h THR 98 N 0.65 1.25 -0.39 4.70 2.02 -0.73 0.23 112.91 120.65 3a6g h THR 98 Ca 0.16 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3a6g h THR 98 Cb 0.09 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 3a6g h THR 98 CO -0.02 0.25 0.21 0.58 0.37 0.00 0.00 175.52 176.91 3a6g h VAL 99 N 0.04 1.15 -0.39 3.16 2.07 -1.15 -1.91 116.25 119.22 3a6g h VAL 99 Ca 0.05 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3a6g h VAL 99 Cb 0.38 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3a6g h VAL 99 CO 0.01 0.16 0.23 -0.61 0.02 0.00 0.00 177.57 177.38 3a6g h GLN 100 N 0.49 0.46 -0.72 1.57 4.15 -1.04 -1.99 115.11 118.03 3a6g h GLN 100 Ca 0.14 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3a6g h GLN 100 Cb 0.07 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.62 3a6g h GLN 100 CO -0.02 0.31 0.35 -0.44 -1.93 0.00 0.00 178.83 177.10 3a6g h ASP 101 N 0.48 0.94 -0.55 -0.69 3.32 -0.75 -1.98 116.42 117.17 3a6g h ASP 101 Ca 0.15 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3a6g h ASP 101 Cb -0.01 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3a6g h ASP 101 CO -0.06 0.80 0.06 0.40 -1.72 0.00 0.00 179.24 178.71 3a6g h ILE 102 N 1.00 1.26 -0.62 0.35 2.04 -1.14 -1.81 117.51 118.59 3a6g h ILE 102 Ca 0.25 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 3a6g h ILE 102 Cb 0.10 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3a6g h ILE 102 CO -0.03 0.37 0.31 0.40 0.00 0.00 0.00 178.15 179.19 3a6g h ILE 103 N 0.82 1.21 -0.59 -0.67 2.04 -1.19 -0.52 117.51 118.62 3a6g h ILE 103 Ca 0.16 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.46 3a6g h ILE 103 Cb 0.46 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3a6g h ILE 103 CO 0.02 0.24 0.36 -0.09 0.00 0.00 0.00 178.15 178.68 3a6g h ARG 104 N 0.85 0.69 -0.49 2.37 2.43 -1.15 -1.12 114.38 117.96 3a6g h ARG 104 Ca 0.21 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.23 3a6g h ARG 104 Cb 0.11 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3a6g h ARG 104 CO -0.03 0.46 -0.15 0.93 -1.51 0.00 0.00 179.97 179.67 3a6g h GLU 105 N 0.71 0.97 -0.73 0.20 4.39 -0.96 -1.87 114.58 117.29 3a6g h GLU 105 Ca 0.24 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 3a6g h GLU 105 Cb 0.02 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3a6g h GLU 105 CO -0.10 1.06 0.25 -0.07 -1.16 0.00 0.00 179.01 178.98 3a6g h LEU 106 N 0.82 1.03 -1.08 1.33 3.38 -0.83 -1.16 115.31 118.80 3a6g h LEU 106 Ca 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3a6g h LEU 106 Cb 0.72 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3a6g h LEU 106 CO 0.05 0.94 0.16 0.00 0.09 0.00 0.00 178.44 179.68 3a6g h ALA 107 N 1.20 1.26 -0.76 1.53 0.00 -1.04 -1.67 119.26 119.79 3a6g h ALA 107 Ca 0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3a6g h ALA 107 Cb 0.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3a6g h ALA 107 CO -0.01 0.52 0.34 -0.09 0.00 0.00 0.00 179.25 180.00 3a6g h ARG 108 N 0.79 1.10 0.00 0.00 2.43 -0.44 -2.02 114.38 116.24 3a6g h ARG 108 Ca 0.18 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3a6g h ARG 108 Cb 0.25 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3a6g h ARG 108 CO -0.01 0.87 -0.08 0.45 -1.51 0.00 0.00 179.97 179.69 3a6g h HIS 109 N 1.09 0.00 0.00 2.20 3.86 -0.46 -3.46 115.15 118.38 3a6g h HIS 109 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3a6g h HIS 109 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3a6g h HIS 109 CO 0.02 0.08 0.00 0.41 0.86 0.00 0.00 177.93 179.30 3a6g n GLY 110 N -0.58 0.72 3.78 2.45 0.00 -0.76 -4.97 105.19 105.83 3a6g n GLY 110 Ca -0.01 0.00 -0.34 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 2.69 0.00 4.61 0.00 -0.70 -4.96 121.76 121.40 3a6g s ALA 111 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3a6g s ALA 111 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3a6g s ALA 111 CO 0.00 -0.78 0.35 0.54 0.00 0.00 0.00 175.76 175.86 3a6g n ARG 112 N -1.56 0.00 -3.78 0.00 5.12 -1.26 -4.17 116.66 111.00 3a6g n ARG 112 Ca 0.10 -0.35 -0.25 0.00 -1.93 0.00 0.00 57.85 55.43 3a6g n ARG 112 Cb 0.52 -0.46 -0.17 0.00 -1.16 0.00 0.00 32.46 31.18 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 0.78 -0.01 5.56 0.52 -1.26 -0.80 118.95 123.73 3a6g s ARG 113 Ca 0.00 -0.15 0.03 0.00 -0.52 0.00 0.00 55.73 55.09 3a6g s ARG 113 Cb 0.00 -1.49 -0.00 0.00 0.52 0.00 0.00 34.95 33.98 3a6g s ARG 113 CO 0.00 -0.42 -0.09 -1.17 0.02 0.00 0.00 175.30 173.64 3a6g s LEU 114 N 1.88 1.95 -0.16 2.53 2.96 -0.74 -1.11 118.68 125.99 3a6g s LEU 114 Ca 0.03 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3a6g s LEU 114 Cb -0.14 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.06 3a6g s LEU 114 CO -0.07 0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.17 3a6g s VAL 115 N -0.10 2.10 -0.27 1.68 1.01 0.27 -0.67 120.40 124.43 3a6g s VAL 115 Ca 0.02 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3a6g s VAL 115 Cb -0.05 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3a6g s VAL 115 CO -0.00 0.54 0.11 -0.76 0.00 0.00 0.00 175.10 174.99 3a6g s LEU 116 N 1.08 3.68 -0.40 3.92 1.02 0.90 -0.56 118.68 128.34 3a6g s LEU 116 Ca -0.00 -0.19 -0.10 0.00 0.02 0.00 0.00 54.13 53.86 3a6g s LEU 116 Cb -0.14 -1.99 0.05 0.00 0.02 0.00 0.00 46.19 44.13 3a6g s LEU 116 CO -0.08 -0.06 0.23 -0.32 0.02 0.00 0.00 176.35 176.14 3a6g s MET 117 N 1.66 2.71 -0.12 1.70 1.75 -0.50 -1.27 119.30 125.23 3a6g s MET 117 Ca 0.06 -1.27 -0.22 0.00 -1.25 0.00 0.00 55.69 53.01 3a6g s MET 117 Cb -0.16 -3.75 -0.03 0.00 2.84 0.00 0.00 34.83 33.74 3a6g s MET 117 CO 0.06 -0.82 0.68 1.21 -0.65 0.00 0.00 175.02 175.49 3a6g s ASN 118 N 1.83 6.87 0.00 1.11 2.47 -0.20 -1.34 114.94 125.69 3a6g s ASN 118 Ca 0.02 1.05 0.15 0.00 0.42 0.00 0.00 52.86 54.50 3a6g s ASN 118 Cb -0.21 -2.39 -0.01 0.00 -1.45 0.00 0.00 41.25 37.19 3a6g s ASN 118 CO 0.04 -0.18 0.80 0.61 -3.72 0.00 0.00 177.10 174.65 3a6g n GLY 119 N 3.35 -0.08 2.98 1.21 0.00 0.26 -4.53 105.19 108.38 3a6g n GLY 119 Ca -0.01 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.78 2.93 0.26 1.61 5.65 -1.25 -4.71 115.29 118.00 3a6g s HIS 120 Ca 0.12 -2.22 -0.07 0.00 0.25 0.00 0.00 55.06 53.13 3a6g s HIS 120 Cb 0.12 -2.01 0.45 0.00 -1.18 0.00 0.00 32.58 29.96 3a6g s HIS 120 CO 0.37 -0.86 1.60 -0.92 -0.65 0.00 0.00 174.74 174.29 3a6g h TYR 121 N 7.83 -0.26 0.00 3.88 3.20 -1.95 0.05 116.97 129.72 3a6g h TYR 121 Ca -0.15 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3a6g h TYR 121 Cb 1.05 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3a6g h TYR 121 CO 0.52 -0.34 0.05 0.93 -1.64 0.00 0.00 178.16 177.68 3a6g h GLU 122 N 0.03 0.00 0.00 1.82 3.07 -1.91 -2.38 114.58 115.21 3a6g h GLU 122 Ca 0.44 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.20 3a6g h GLU 122 Cb 0.76 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 3a6g h GLU 122 CO -0.82 0.00 -0.49 -0.91 -1.40 0.00 0.00 179.01 175.38 3a6g h ASN 123 N 0.00 0.00 -0.09 1.42 -0.26 -1.30 -3.41 115.58 111.95 3a6g h ASN 123 Ca 0.00 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.75 3a6g h ASN 123 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 3a6g h ASN 123 CO 0.00 0.49 -0.05 -1.20 -1.06 0.00 0.00 177.43 175.61 3a6g n SER 124 N -3.93 -0.09 0.24 5.81 7.64 -0.90 -1.57 113.62 120.82 3a6g n SER 124 Ca -0.01 0.65 0.09 0.00 1.01 0.00 0.00 58.87 60.61 3a6g n SER 124 Cb 0.51 -0.27 0.60 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.85 -1.38 114.93 115.99 3a6g h MET 125 Ca 0.01 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 3a6g h MET 125 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3a6g h MET 125 CO -0.08 0.18 -0.71 0.74 1.06 0.00 0.00 176.91 178.10 3a6g h PHE 126 N 0.00 0.00 -0.17 -0.22 -1.00 -1.59 -1.52 116.94 112.43 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 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 3a6g h PHE 126 CO 0.00 0.71 -0.32 0.82 -1.61 0.00 0.00 178.31 177.92 3a6g h ILE 127 N 0.00 1.35 -0.70 -0.55 2.04 -0.71 -1.82 117.51 117.12 3a6g h ILE 127 Ca -0.01 -1.56 0.03 0.00 1.00 0.00 0.00 64.86 64.33 3a6g h ILE 127 Cb 1.46 1.92 -0.04 0.00 -0.74 0.00 0.00 36.82 39.42 3a6g h ILE 127 CO 0.09 0.47 0.43 0.58 0.00 0.00 0.00 178.15 179.73 3a6g h VAL 128 N 0.16 1.09 -0.48 1.67 2.07 -1.18 -0.83 116.25 118.75 3a6g h VAL 128 Ca 0.01 -0.29 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3a6g h VAL 128 Cb 0.91 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3a6g h VAL 128 CO 0.07 0.15 -0.17 -0.08 0.02 0.00 0.00 177.57 177.56 3a6g h GLU 129 N 0.85 0.94 -0.77 1.57 4.57 -1.25 -1.37 114.58 119.12 3a6g h GLU 129 Ca 0.28 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3a6g h GLU 129 Cb 0.03 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 3a6g h GLU 129 CO -0.11 1.03 0.43 0.78 -1.18 0.00 0.00 179.01 179.96 3a6g h GLY 130 N 0.93 1.14 0.77 1.92 0.00 -0.81 -0.57 103.07 106.45 3a6g h GLY 130 Ca 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3a6g h GLY 130 CO 0.06 0.48 -0.00 -2.22 0.00 0.00 0.00 176.54 174.86 3a6g h ILE 131 N 1.08 1.25 -0.41 2.60 2.04 -0.90 -1.83 117.51 121.34 3a6g h ILE 131 Ca 0.27 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 3a6g h ILE 131 Cb 0.02 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3a6g h ILE 131 CO -0.05 0.24 0.24 -0.78 0.00 0.00 0.00 178.15 177.81 3a6g h ASP 132 N -0.03 0.50 -0.45 1.72 3.58 -0.88 0.61 116.42 121.47 3a6g h ASP 132 Ca 0.04 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.37 3a6g h ASP 132 Cb 0.37 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3a6g h ASP 132 CO 0.01 0.42 0.10 -0.07 -2.88 0.00 0.00 179.24 176.82 3a6g h LEU 133 N 0.54 0.74 -0.17 2.28 3.38 -1.12 -0.62 115.31 120.34 3a6g h LEU 133 Ca 0.15 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3a6g h LEU 133 Cb 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3a6g h LEU 133 CO -0.03 0.75 -0.20 0.00 0.09 0.00 0.00 178.44 179.05 3a6g h ALA 134 N 1.35 0.25 -0.21 1.53 0.00 -0.93 -2.19 119.26 119.06 3a6g h ALA 134 Ca 0.17 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3a6g h ALA 134 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3a6g h ALA 134 CO 0.00 0.18 -0.07 -0.07 0.00 0.00 0.00 179.25 179.30 3a6g h LEU 135 N 0.08 0.31 -0.18 0.00 3.38 -0.69 0.13 115.31 118.33 3a6g h LEU 135 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3a6g h LEU 135 Cb 0.75 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3a6g h LEU 135 CO 0.05 0.42 0.05 -0.09 0.09 0.00 0.00 178.44 178.95 3a6g h ARG 136 N 0.31 0.28 -0.64 1.13 2.43 -1.04 -0.95 114.38 115.90 3a6g h ARG 136 Ca 0.07 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3a6g h ARG 136 Cb 0.32 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 3a6g h ARG 136 CO 0.01 0.40 0.35 1.49 -1.51 0.00 0.00 179.97 180.72 3a6g h GLU 137 N 0.10 0.89 -0.72 0.20 4.81 -0.73 -1.93 114.58 117.20 3a6g h GLU 137 Ca 0.06 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3a6g h GLU 137 Cb 0.24 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3a6g h GLU 137 CO -0.00 0.67 0.31 -0.07 -0.73 0.00 0.00 179.01 179.19 3a6g h LEU 138 N 0.87 0.96 -0.68 1.64 3.38 -0.59 -1.83 115.31 119.06 3a6g h LEU 138 Ca 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3a6g h LEU 138 Cb 0.03 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3a6g h LEU 138 CO -0.04 0.83 0.35 -0.09 0.09 0.00 0.00 178.44 179.58 3a6g h ARG 139 N 1.03 0.97 0.00 1.13 2.43 -0.62 0.22 114.38 119.54 3a6g h ARG 139 Ca 0.25 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3a6g h ARG 139 Cb 0.16 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3a6g h ARG 139 CO -0.03 0.75 -0.10 1.88 -1.51 0.00 0.00 179.97 180.96 3a6g h TYR 140 N 0.94 0.00 -0.08 2.20 0.05 -0.76 -0.73 116.97 118.59 3a6g h TYR 140 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3a6g h TYR 140 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3a6g h TYR 140 CO 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 178.16 177.21 3a6g n ALA 141 N -2.44 2.57 -0.75 3.88 0.00 -0.60 -4.91 120.51 118.26 3a6g n ALA 141 Ca -0.03 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3a6g n ALA 141 Cb 0.18 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 1.07 0.55 3.24 0.00 0.00 -0.28 -5.05 105.19 104.72 3a6g n GLY 142 Ca 0.17 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 3.17 -0.05 -0.61 1.01 0.66 -4.94 121.20 118.44 3a6g s ILE 143 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.77 3a6g s ILE 143 Cb 0.00 -2.63 0.12 0.00 0.01 0.00 0.00 42.46 39.95 3a6g s ILE 143 CO 0.00 0.15 0.99 0.00 0.00 0.00 0.00 174.94 176.08 3a6g n GLN 144 N 4.72 1.05 -0.34 2.79 6.02 -1.26 -2.89 117.38 127.46 3a6g n GLN 144 Ca -0.16 -1.65 0.08 0.00 -0.01 0.00 0.00 57.00 55.27 3a6g n GLN 144 Cb 0.47 -0.99 0.22 0.00 1.02 0.00 0.00 30.24 30.96 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 -0.66 3.46 -4.64 1.08 5.75 -1.26 -4.95 116.55 115.33 3a6g n ASP 145 Ca 0.06 -2.93 -0.40 0.00 -0.01 0.00 0.00 54.79 51.52 3a6g n ASP 145 Cb 0.57 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 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 -2.65 3.33 -0.05 2.11 2.19 -1.26 -4.85 117.98 116.80 3a6g s PHE 146 Ca 0.38 0.78 0.05 0.00 0.33 0.00 0.00 56.93 58.47 3a6g s PHE 146 Cb 0.30 -2.74 -0.02 0.00 -1.31 0.00 0.00 43.02 39.25 3a6g s PHE 146 CO 0.08 -0.20 -0.19 0.21 1.83 0.00 0.00 175.22 176.95 3a6g s LYS 147 N 2.01 2.45 -0.03 10.12 2.20 0.02 -5.02 119.74 131.49 3a6g s LYS 147 Ca 0.25 -0.79 0.05 0.00 -0.36 0.00 0.00 55.97 55.12 3a6g s LYS 147 Cb -0.16 -2.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.88 3a6g s LYS 147 CO 0.09 0.55 -0.17 0.08 -0.36 0.00 0.00 175.35 175.54 3a6g s VAL 148 N -0.56 1.42 -0.12 4.02 1.01 -1.26 -1.79 120.40 123.13 3a6g s VAL 148 Ca 0.08 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3a6g s VAL 148 Cb -0.11 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3a6g s VAL 148 CO 0.01 0.41 -0.22 -0.69 0.00 0.00 0.00 175.10 174.60 3a6g s VAL 149 N -0.16 2.18 -0.09 2.92 1.01 0.16 -5.00 120.40 121.42 3a6g s VAL 149 Ca 0.01 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3a6g s VAL 149 Cb -0.10 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3a6g s VAL 149 CO 0.01 0.55 -0.21 0.54 0.00 0.00 0.00 175.10 175.99 3a6g s VAL 150 N 0.49 2.33 0.32 2.92 0.11 -1.26 -0.07 120.40 125.24 3a6g s VAL 150 Ca -0.14 -0.94 -0.13 0.00 -2.93 0.00 0.00 61.98 57.84 3a6g s VAL 150 Cb -0.17 -1.90 0.02 0.00 -1.53 0.00 0.00 36.38 32.80 3a6g s VAL 150 CO 0.05 0.56 0.62 -1.48 -3.33 0.00 0.00 175.10 171.52 3a6g s LEU 151 N 0.16 0.27 -0.01 2.54 0.05 -0.40 -4.96 118.68 116.33 3a6g s LEU 151 Ca -0.12 -1.06 0.01 0.00 0.05 0.00 0.00 54.13 53.01 3a6g s LEU 151 Cb -0.16 2.22 0.00 0.00 -2.05 0.00 0.00 46.19 46.20 3a6g s LEU 151 CO 0.07 -1.38 -0.03 -0.44 -0.55 0.00 0.00 176.35 174.01 3a6g s SER 152 N -3.06 0.43 0.59 1.48 0.01 -1.26 -1.03 113.70 110.86 3a6g s SER 152 Ca 0.20 -0.06 0.31 0.00 1.31 0.00 0.00 55.95 57.71 3a6g s SER 152 Cb -0.03 -0.09 1.86 0.00 0.21 0.00 0.00 66.02 67.97 3a6g s SER 152 CO 0.12 0.02 2.26 0.10 0.41 0.00 0.00 173.24 176.15 3a6g h TYR 153 N 6.29 0.00 -0.94 2.43 -0.00 -1.98 -2.19 116.97 120.58 3a6g h TYR 153 Ca -0.30 0.00 0.12 0.00 0.00 0.00 0.00 58.73 58.56 3a6g h TYR 153 Cb 1.19 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 37.83 3a6g h TYR 153 CO 0.43 0.00 0.57 0.74 -0.00 0.00 0.00 178.16 179.90 3a6g h PHE 154 N 0.00 1.03 0.00 0.10 0.04 -1.96 -1.62 116.94 114.53 3a6g h PHE 154 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3a6g h PHE 154 Cb 0.00 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 37.83 3a6g h PHE 154 CO 0.00 0.38 0.00 -0.25 -0.60 0.00 0.00 178.31 177.84 3a6g n ASP 155 N -4.69 0.00 -1.16 2.17 8.00 -0.82 -2.87 116.55 117.18 3a6g n ASP 155 Ca 0.18 0.37 0.11 0.00 0.71 0.00 0.00 54.79 56.16 3a6g n ASP 155 Cb 0.36 -0.44 0.27 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.44 0.71 -3.68 1.24 3.01 -0.61 -4.62 117.46 112.07 3a6g n PHE 156 Ca 0.05 -0.36 -0.37 0.00 1.01 0.00 0.00 57.45 57.78 3a6g n PHE 156 Cb 0.19 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.57 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 -1.29 3.91 0.00 -4.37 1.01 -1.14 -4.62 120.40 113.91 3a6g s VAL 157 Ca 0.42 -3.01 0.00 0.00 0.00 0.00 0.00 61.98 59.39 3a6g s VAL 157 Cb 0.23 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3a6g s VAL 157 CO 0.31 -0.91 0.00 1.17 0.00 0.00 0.00 175.10 175.67 3a6g n LYS 158 N 3.41 2.84 -1.68 2.72 4.81 -1.26 -4.97 118.16 124.03 3a6g n LYS 158 Ca 0.09 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.10 3a6g n LYS 158 Cb 0.38 -0.68 -0.03 0.00 0.02 0.00 0.00 35.03 34.72 3a6g n LYS 158 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3a6g n ASP 159 N -0.81 3.92 -0.21 3.14 2.03 -1.26 -4.88 116.55 118.48 3a6g n ASP 159 Ca 0.00 0.98 0.02 0.00 0.52 0.00 0.00 54.79 56.31 3a6g n ASP 159 Cb 0.00 -1.51 0.13 0.00 -0.72 0.00 0.00 41.12 39.01 3a6g n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a6g h PRO 160 N 8.65 0.34 0.00 -0.67 0.11 -1.99 0.18 132.00 138.61 3a6g h PRO 160 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a6g h PRO 160 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3a6g h PRO 160 CO 0.94 0.22 -0.00 0.00 -0.21 0.00 0.00 178.00 178.95 3a6g h ALA 161 N 1.48 1.76 0.11 -0.75 0.00 -2.00 -1.28 119.26 118.58 3a6g h ALA 161 Ca 0.34 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 3a6g h ALA 161 Cb 0.49 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3a6g h ALA 161 CO -0.38 0.00 -0.87 0.28 0.00 0.00 0.00 179.25 178.29 3a6g h VAL 162 N 0.00 1.41 -0.71 0.00 2.07 -1.38 -3.16 116.25 114.48 3a6g h VAL 162 Ca -0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.06 3a6g h VAL 162 Cb 0.00 3.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 3a6g h VAL 162 CO 0.00 0.68 0.46 0.40 0.02 0.00 0.00 177.57 179.13 3a6g h ILE 163 N -0.48 1.19 -0.71 4.57 1.08 -0.89 -1.65 117.51 120.63 3a6g h ILE 163 Ca -0.17 -0.36 -0.07 0.00 -0.39 0.00 0.00 64.86 63.87 3a6g h ILE 163 Cb 1.57 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.44 3a6g h ILE 163 CO 0.09 0.19 0.18 -0.61 -0.69 0.00 0.00 178.15 177.30 3a6g h GLN 164 N 0.97 1.13 -0.09 2.37 4.15 -1.36 0.21 115.11 122.49 3a6g h GLN 164 Ca 0.26 -0.27 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 3a6g h GLN 164 Cb -0.09 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3a6g h GLN 164 CO -0.05 0.99 -0.42 1.96 -1.93 0.00 0.00 178.83 179.38 3a6g h GLN 165 N 1.07 0.20 0.23 1.69 4.20 -1.34 -2.17 115.11 119.00 3a6g h GLN 165 Ca 0.22 -0.10 -0.32 0.00 0.06 0.00 0.00 58.65 58.52 3a6g h GLN 165 Cb 0.36 -0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.17 3a6g h GLN 165 CO 0.00 0.59 -1.44 -0.07 -0.67 0.00 0.00 178.83 177.24 3a6g h LEU 166 N 0.17 0.75 -6.14 1.46 3.38 -0.98 -3.40 115.31 110.56 3a6g h LEU 166 Ca 0.01 -0.93 -0.59 0.00 0.09 0.00 0.00 57.88 56.47 3a6g h LEU 166 Cb 0.81 -0.25 -0.41 0.00 0.09 0.00 0.00 40.66 40.90 3a6g h LEU 166 CO 0.06 1.68 -0.72 -1.22 0.09 0.00 0.00 178.44 178.34 3a6g n TYR 167 N -3.76 2.69 0.24 1.13 4.02 0.72 -4.92 117.16 117.28 3a6g n TYR 167 Ca -0.18 -4.01 0.13 0.00 -0.01 0.00 0.00 57.90 53.83 3a6g n TYR 167 Cb 1.06 -0.51 0.70 0.00 -0.02 0.00 0.00 39.34 40.57 3a6g n TYR 167 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3a6g h PRO 168 N 4.12 0.00 -0.39 -0.72 0.11 -1.61 -0.54 132.00 132.98 3a6g h PRO 168 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3a6g h PRO 168 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3a6g h PRO 168 CO 0.75 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.93 3a6g n GLU 169 N -2.52 3.62 0.00 1.05 4.71 -1.26 -5.05 120.64 121.19 3a6g n GLU 169 Ca -0.02 -2.91 0.00 0.00 -0.01 0.00 0.00 57.16 54.22 3a6g n GLU 169 Cb 0.22 -1.95 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 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 0.03 2.78 3.52 0.62 0.00 -0.21 -5.07 105.19 106.85 3a6g n GLY 170 Ca 0.23 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 3a6g n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a6g s PHE 171 N -1.92 2.89 -0.30 1.61 5.36 -1.26 -4.78 117.98 119.57 3a6g s PHE 171 Ca 0.00 -0.15 0.06 0.00 -0.96 0.00 0.00 56.93 55.88 3a6g s PHE 171 Cb 0.00 -1.75 -0.05 0.00 -0.34 0.00 0.00 43.02 40.88 3a6g s PHE 171 CO 0.00 0.17 0.27 1.28 -1.46 0.00 0.00 175.22 175.49 3a6g n LEU 172 N 2.61 0.35 0.00 6.12 4.77 -1.26 -5.12 117.00 124.47 3a6g n LEU 172 Ca -0.18 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3a6g n LEU 172 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3a6g n LEU 172 CO 0.28 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3a6g n GLY 173 N 1.08 2.37 0.00 -0.72 0.00 -1.26 -4.77 105.19 101.89 3a6g n GLY 173 Ca 0.01 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.04 0.00 -0.15 1.61 5.03 -1.26 -4.00 117.44 118.64 3a6g n TRP 174 Ca 0.00 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.65 3a6g n TRP 174 Cb 0.00 -0.49 0.46 0.00 -1.03 0.00 0.00 31.31 30.25 3a6g n TRP 174 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 3a6g h ASP 175 N 0.00 0.46 -0.31 -0.99 5.19 -1.96 -2.60 116.42 116.21 3a6g h ASP 175 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3a6g h ASP 175 Cb 0.47 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3a6g h ASP 175 CO 0.00 0.26 0.00 2.30 -3.12 0.00 0.00 179.24 178.68 3a6g n ILE 176 N -4.48 2.10 0.39 0.35 -6.64 -1.26 -4.71 119.36 105.11 3a6g n ILE 176 Ca 0.12 -1.69 0.14 0.00 -1.77 0.00 0.00 62.75 59.55 3a6g n ILE 176 Cb 0.42 -0.12 0.51 0.00 -1.44 0.00 0.00 39.64 39.01 3a6g n ILE 176 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 3a6g h GLU 177 N 2.05 0.00 -6.03 6.28 4.39 -1.68 -3.09 114.58 116.50 3a6g h GLU 177 Ca 0.00 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 58.99 3a6g h GLU 177 Cb 1.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 3a6g h GLU 177 CO 0.21 0.00 1.26 1.58 -1.16 0.00 0.00 179.01 180.90 3a6g n HIS 178 N -2.53 1.61 -1.13 4.33 -0.00 -1.26 1.00 115.22 117.24 3a6g n HIS 178 Ca 0.02 0.47 -0.04 0.00 -0.00 0.00 0.00 57.72 58.17 3a6g n HIS 178 Cb 0.30 -2.45 -0.02 0.00 -0.00 0.00 0.00 29.99 27.82 3a6g n HIS 178 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3a6g n GLY 179 N 6.17 0.67 0.00 1.57 0.00 -1.26 -2.03 105.19 110.31 3a6g n GLY 179 Ca 0.41 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.64 1.55 0.13 -0.02 0.00 0.28 -4.30 105.19 101.19 3a6g n GLY 180 Ca -0.04 -1.87 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 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 0.87 0.59 1.61 2.07 -1.80 -1.85 116.25 117.74 3a6g h VAL 181 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3a6g h VAL 181 Cb 0.00 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3a6g h VAL 181 CO 0.00 0.03 -0.37 0.15 0.02 0.00 0.00 177.57 177.39 3a6g h PHE 182 N 0.16 -0.99 -0.46 1.57 3.04 -1.95 -0.37 116.94 117.93 3a6g h PHE 182 Ca 0.13 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.99 3a6g h PHE 182 Cb 0.13 0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 3a6g h PHE 182 CO -0.17 -0.57 -0.03 0.93 -2.02 0.00 0.00 178.31 176.46 3a6g h GLU 183 N -0.92 0.83 -0.37 1.11 5.08 -1.82 -2.69 114.58 115.80 3a6g h GLU 183 Ca -0.07 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 3a6g h GLU 183 Cb 0.75 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3a6g h GLU 183 CO 0.07 0.90 -0.09 1.15 -1.00 0.00 0.00 179.01 180.04 3a6g h THR 184 N 0.68 1.24 -0.43 1.13 2.02 -1.33 -1.83 112.91 114.38 3a6g h THR 184 Ca 0.13 -1.05 -0.07 0.00 0.77 0.00 0.00 66.41 66.19 3a6g h THR 184 Cb 0.55 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 3a6g h THR 184 CO 0.03 0.35 -0.01 0.28 0.37 0.00 0.00 175.52 176.55 3a6g h SER 185 N 0.59 0.76 -0.61 4.18 0.02 -0.99 -0.67 113.55 116.82 3a6g h SER 185 Ca 0.11 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3a6g h SER 185 Cb 0.50 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3a6g h SER 185 CO 0.03 0.88 0.34 -0.07 -1.14 0.00 0.00 176.83 176.87 3a6g h LEU 186 N 0.61 0.75 -0.97 5.07 3.38 -1.26 -2.13 115.31 120.77 3a6g h LEU 186 Ca 0.12 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3a6g h LEU 186 Cb 0.50 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3a6g h LEU 186 CO 0.02 0.62 0.19 0.24 0.09 0.00 0.00 178.44 179.60 3a6g h MET 187 N 0.82 0.94 -0.13 1.13 2.86 -1.12 -0.26 114.93 119.17 3a6g h MET 187 Ca 0.22 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3a6g h MET 187 Cb 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3a6g h MET 187 CO -0.04 0.81 -0.11 -0.07 1.06 0.00 0.00 176.91 178.56 3a6g h LEU 188 N 0.91 0.18 0.10 1.22 3.38 -0.67 0.81 115.31 121.24 3a6g h LEU 188 Ca 0.20 -0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.85 3a6g h LEU 188 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3a6g h LEU 188 CO -0.01 0.32 -1.43 0.00 0.09 0.00 0.00 178.44 177.41 3a6g h ALA 189 N 1.71 0.28 0.02 1.53 0.00 -0.80 -3.32 119.26 118.67 3a6g h ALA 189 Ca 0.04 -1.07 -0.38 0.00 0.00 0.00 0.00 54.91 53.50 3a6g h ALA 189 Cb 0.32 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3a6g h ALA 189 CO 0.02 1.15 -2.17 1.28 0.00 0.00 0.00 179.25 179.53 3a6g n LEU 190 N -3.43 2.31 -3.10 0.00 4.77 -0.16 -4.76 117.00 112.62 3a6g n LEU 190 Ca -0.13 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.84 3a6g n LEU 190 Cb 1.03 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3a6g n LEU 190 CO 0.50 0.65 -0.07 -1.22 -1.33 0.00 0.00 177.39 175.93 3a6g n TYR 191 N -3.92 1.87 -0.21 -1.77 4.01 0.28 -4.94 117.16 112.48 3a6g n TYR 191 Ca -0.44 -3.89 0.30 0.00 -0.16 0.00 0.00 57.90 53.71 3a6g n TYR 191 Cb 0.90 -0.45 0.73 0.00 -0.31 0.00 0.00 39.34 40.20 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 3.13 0.00 0.00 -0.72 0.13 -1.54 0.60 132.00 133.61 3a6g h PRO 192 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3a6g h PRO 192 Cb 0.76 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3a6g h PRO 192 CO 0.64 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.17 3a6g n ASP 193 N -4.25 0.05 -1.20 1.44 8.00 -1.26 -2.57 116.55 116.77 3a6g n ASP 193 Ca 0.20 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.31 3a6g n ASP 193 Cb 1.02 -0.52 0.28 0.00 -0.02 0.00 0.00 41.12 41.89 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 -1.55 3.82 -4.00 0.64 4.77 0.20 -4.90 117.00 115.98 3a6g n LEU 194 Ca 0.05 -2.09 -0.24 0.00 -0.03 0.00 0.00 56.01 53.70 3a6g n LEU 194 Cb 0.24 -0.44 -0.17 0.00 -2.33 0.00 0.00 43.42 40.72 3a6g n LEU 194 CO 0.19 0.89 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.99 3a6g s VAL 195 N -1.16 1.04 -0.59 4.08 1.01 -1.06 -3.14 120.40 120.58 3a6g s VAL 195 Ca 0.43 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3a6g s VAL 195 Cb 0.23 -0.96 0.15 0.00 0.00 0.00 0.00 36.38 35.81 3a6g s VAL 195 CO 0.27 0.33 0.38 -1.81 0.00 0.00 0.00 175.10 174.27 3a6g s ASP 196 N 0.70 4.16 0.60 3.32 1.01 -0.10 -4.96 116.67 121.40 3a6g s ASP 196 Ca -0.14 -3.37 0.30 0.00 0.71 0.00 0.00 52.55 50.05 3a6g s ASP 196 Cb -0.16 -1.42 1.71 0.00 1.01 0.00 0.00 42.92 44.07 3a6g s ASP 196 CO 0.03 -0.16 2.10 0.25 0.21 0.00 0.00 175.17 177.60 3a6g h LEU 197 N 5.91 0.00 -0.33 1.23 5.85 -1.96 0.21 115.31 126.23 3a6g h LEU 197 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3a6g h LEU 197 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3a6g h LEU 197 CO 0.64 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.84 3a6g n ASP 198 N -3.66 0.20 -0.64 1.25 5.75 -1.26 -1.53 116.55 116.66 3a6g n ASP 198 Ca 0.01 0.57 0.12 0.00 -0.01 0.00 0.00 54.79 55.48 3a6g n ASP 198 Cb 0.32 -0.60 0.18 0.00 -1.03 0.00 0.00 41.12 39.99 3a6g n ASP 198 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3a6g n ARG 199 N -1.74 1.67 -1.74 0.11 1.74 0.06 -4.95 116.66 111.81 3a6g n ARG 199 Ca 0.01 -1.28 -0.42 0.00 -0.77 0.00 0.00 57.85 55.39 3a6g n ARG 199 Cb 0.11 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.21 2.01 -0.42 1.55 1.01 -0.58 -4.34 120.40 117.42 3a6g s VAL 200 Ca 0.26 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 3a6g s VAL 200 Cb 0.19 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3a6g s VAL 200 CO 0.42 0.00 0.36 -0.69 0.00 0.00 0.00 175.10 175.19 3a6g s VAL 201 N 0.55 5.20 0.20 2.92 1.01 -1.26 -5.02 120.40 124.00 3a6g s VAL 201 Ca 0.69 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3a6g s VAL 201 Cb -0.49 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 3a6g s VAL 201 CO 0.41 -0.38 1.24 -0.62 0.00 0.00 0.00 175.10 175.74 3a6g s ASP 202 N 1.84 7.01 -0.01 3.32 2.15 -1.26 -4.81 116.67 124.91 3a6g s ASP 202 Ca 0.07 2.32 -0.28 0.00 0.43 0.00 0.00 52.55 55.09 3a6g s ASP 202 Cb -0.19 -2.61 0.09 0.00 -0.30 0.00 0.00 42.92 39.91 3a6g s ASP 202 CO 0.11 -0.43 0.77 -1.38 -0.17 0.00 0.00 175.17 174.07 3a6g s HIS 203 N -0.09 -0.50 0.90 -5.34 -3.43 -1.26 -5.08 115.29 100.49 3a6g s HIS 203 Ca 0.54 0.63 -0.10 0.00 -0.80 0.00 0.00 55.06 55.32 3a6g s HIS 203 Cb -0.34 0.48 0.14 0.00 -1.43 0.00 0.00 32.58 31.43 3a6g s HIS 203 CO 0.38 -0.60 1.14 -2.14 -2.00 0.00 0.00 174.74 171.52 3a6g s PRO 204 N -2.24 1.14 0.40 -0.38 0.02 -1.26 -4.10 135.00 128.57 3a6g s PRO 204 Ca -0.03 1.51 -0.27 0.00 0.02 0.00 0.00 61.00 62.23 3a6g s PRO 204 Cb -0.01 -1.74 -0.10 0.00 0.02 0.00 0.00 34.50 32.67 3a6g s PRO 204 CO -0.02 -2.54 1.45 -2.14 -0.33 0.00 0.00 177.00 173.43 3a6g s PRO 205 N -4.68 3.99 0.34 5.54 0.02 -1.26 -4.77 135.00 134.19 3a6g s PRO 205 Ca 0.66 2.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.89 3a6g s PRO 205 Cb -0.22 -2.88 -0.11 0.00 0.02 0.00 0.00 34.50 31.31 3a6g s PRO 205 CO 0.58 -0.60 1.48 0.00 -0.33 0.00 0.00 177.00 178.13 3a6g s ALA 206 N -1.15 3.61 -0.04 -1.55 0.00 0.30 -5.01 121.76 117.92 3a6g s ALA 206 Ca 0.55 1.51 0.05 0.00 0.00 0.00 0.00 51.96 54.06 3a6g s ALA 206 Cb -0.45 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.07 3a6g s ALA 206 CO 0.60 -0.95 -0.18 0.99 0.00 0.00 0.00 175.76 176.22 3a6g s THR 207 N -0.75 1.47 0.10 0.00 2.01 -1.26 -4.98 115.64 112.22 3a6g s THR 207 Ca 0.55 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.84 3a6g s THR 207 Cb -0.45 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3a6g s THR 207 CO 0.56 0.42 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.47 3a6g s PHE 208 N -0.03 0.98 0.84 4.92 0.40 -1.26 -5.08 117.98 118.75 3a6g s PHE 208 Ca -0.02 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.46 3a6g s PHE 208 Cb -0.11 -0.54 0.09 0.00 0.51 0.00 0.00 43.02 42.97 3a6g s PHE 208 CO 0.02 -0.05 1.10 -1.25 0.70 0.00 0.00 175.22 175.74 3a6g s PRO 209 N -3.06 1.77 0.00 0.24 0.04 -1.26 -4.87 135.00 127.86 3a6g s PRO 209 Ca 0.07 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 61.71 3a6g s PRO 209 Cb -0.01 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 3a6g s PRO 209 CO -0.01 -1.83 1.67 -0.35 0.04 0.00 0.00 177.00 176.51 3a6g n PRO 210 N -3.57 0.84 -3.71 0.56 -0.04 -1.26 -4.77 135.00 123.05 3a6g n PRO 210 Ca 0.07 -0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.29 3a6g n PRO 210 Cb 0.57 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 0.88 -0.27 0.17 0.54 -0.85 -1.26 -5.18 117.35 111.37 3a6g s TYR 211 Ca 0.11 -0.08 0.10 0.00 -0.52 0.00 0.00 57.07 56.68 3a6g s TYR 211 Cb 0.05 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 43.00 3a6g s TYR 211 CO 0.00 -1.01 -0.18 -0.51 -1.52 0.00 0.00 175.55 172.33 3a6g s ASP 212 N -2.85 3.79 -0.03 -0.18 1.01 -1.26 -5.09 116.67 112.06 3a6g s ASP 212 Ca 0.09 -0.69 0.04 0.00 0.71 0.00 0.00 52.55 52.70 3a6g s ASP 212 Cb -0.04 -0.47 -0.01 0.00 1.01 0.00 0.00 42.92 43.42 3a6g s ASP 212 CO 0.00 0.13 -0.16 -0.69 0.21 0.00 0.00 175.17 174.66 3a6g s VAL 213 N -1.50 1.35 0.00 -1.27 1.01 -1.26 -5.14 120.40 113.59 3a6g s VAL 213 Ca 0.21 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.52 3a6g s VAL 213 Cb -0.09 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 3a6g s VAL 213 CO 0.11 0.39 -0.07 -0.36 0.00 0.00 0.00 175.10 175.17 3a6g s PHE 214 N -0.09 0.59 0.73 5.22 0.08 -1.26 -3.79 117.98 119.47 3a6g s PHE 214 Ca -0.00 -0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.74 3a6g s PHE 214 Cb -0.10 -0.38 0.04 0.00 -0.57 0.00 0.00 43.02 42.01 3a6g s PHE 214 CO 0.01 -0.02 1.22 -2.30 -0.10 0.00 0.00 175.22 174.04 3a6g n PRO 215 N 2.77 0.61 -1.72 0.24 -0.02 -1.26 -5.06 135.00 130.56 3a6g n PRO 215 Ca -0.14 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 3a6g n PRO 215 Cb 0.57 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3a6g n PRO 215 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3a6g n VAL 216 N -2.63 0.61 -3.21 -1.45 3.14 -1.25 -4.95 118.33 108.59 3a6g n VAL 216 Ca 0.15 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 60.94 3a6g n VAL 216 Cb 0.49 -1.88 -0.08 0.00 -1.06 0.00 0.00 33.84 31.32 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 0.72 6.25 0.52 6.55 2.15 -1.26 -4.95 116.67 126.65 3a6g s ASP 217 Ca 0.69 -0.58 0.27 0.00 0.43 0.00 0.00 52.55 53.36 3a6g s ASP 217 Cb -0.53 -2.27 1.40 0.00 -0.30 0.00 0.00 42.92 41.22 3a6g s ASP 217 CO 0.43 -0.71 1.94 -0.65 -0.17 0.00 0.00 175.17 176.01 3a6g h PRO 218 N 8.83 0.03 0.00 4.34 0.11 -1.96 -1.53 132.00 141.82 3a6g h PRO 218 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3a6g h PRO 218 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3a6g h PRO 218 CO 0.86 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 3a6g h ALA 219 N 1.65 1.00 -0.18 -0.75 0.00 -2.01 -2.86 119.26 116.12 3a6g h ALA 219 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3a6g h ALA 219 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a6g h ALA 219 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.77 3a6g n ARG 220 N -2.82 1.92 -4.95 0.00 1.74 -0.58 -4.84 116.66 107.13 3a6g n ARG 220 Ca -0.01 -1.37 -0.32 0.00 -0.77 0.00 0.00 57.85 55.38 3a6g n ARG 220 Cb 0.18 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.04 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 -1.78 2.86 0.29 0.55 2.01 -1.08 -4.96 115.64 113.54 3a6g s THR 221 Ca 0.34 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 3a6g s THR 221 Cb 0.19 -2.12 -0.13 0.00 0.01 0.00 0.00 72.50 70.45 3a6g s THR 221 CO 0.28 0.58 1.29 -2.65 -0.69 0.00 0.00 174.62 173.43 3a6g n PRO 222 N 2.63 1.97 -0.32 4.92 -0.02 -1.26 -4.85 135.00 138.07 3a6g n PRO 222 Ca -0.17 0.70 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3a6g n PRO 222 Cb 0.52 -2.28 0.20 0.00 -0.02 0.00 0.00 33.50 31.93 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 3.09 0.88 0.00 3.55 0.00 -1.90 0.20 119.26 125.07 3a6g h ALA 223 Ca -0.45 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a6g h ALA 223 Cb 1.29 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3a6g h ALA 223 CO 0.67 -0.47 0.00 -1.00 0.00 0.00 0.00 179.25 178.45 3a6g h PRO 224 N 0.02 0.00 0.00 0.00 0.13 -1.95 -3.46 132.00 126.74 3a6g h PRO 224 Ca 0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.64 3a6g h PRO 224 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3a6g h PRO 224 CO -0.90 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 177.28 3a6g n GLY 225 N -0.47 0.07 3.86 1.56 0.00 0.06 -3.75 105.19 106.53 3a6g n GLY 225 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 4.80 -1.22 2.61 -4.23 -1.26 -4.50 115.64 109.84 3a6g s THR 226 Ca 0.00 0.69 0.22 0.00 -1.18 0.00 0.00 61.69 61.43 3a6g s THR 226 Cb 0.00 -3.63 -0.12 0.00 1.34 0.00 0.00 72.50 70.08 3a6g s THR 226 CO 0.00 -0.20 1.06 0.18 -0.54 0.00 0.00 174.62 175.12 3a6g n LEU 227 N -0.44 1.09 -3.44 4.79 4.77 -0.86 -4.36 117.00 118.54 3a6g n LEU 227 Ca 0.02 -0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 55.43 3a6g n LEU 227 Cb 0.53 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3a6g n LEU 227 CO 0.44 0.25 0.43 -0.94 -1.33 0.00 0.00 177.39 176.23 3a6g s SER 228 N -2.88 -0.57 0.16 -1.43 1.04 -1.17 -0.53 113.70 108.31 3a6g s SER 228 Ca 0.11 0.13 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 3a6g s SER 228 Cb 0.17 0.57 -0.07 0.00 0.10 0.00 0.00 66.02 66.79 3a6g s SER 228 CO 0.77 -0.88 1.00 -0.55 0.98 0.00 0.00 173.24 174.56 3a6g s SER 229 N -2.44 7.45 -0.13 7.02 0.15 -1.26 -4.08 113.70 120.40 3a6g s SER 229 Ca -0.01 1.92 0.17 0.00 0.70 0.00 0.00 55.95 58.74 3a6g s SER 229 Cb -0.01 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.43 3a6g s SER 229 CO -0.09 -0.07 1.63 0.00 1.20 0.00 0.00 173.24 175.91 3a6g n ALA 230 N 2.38 3.23 -0.26 5.45 0.00 -1.26 -3.86 120.51 126.19 3a6g n ALA 230 Ca 0.02 -1.60 0.14 0.00 0.00 0.00 0.00 53.44 52.00 3a6g n ALA 230 Cb 0.48 -1.05 0.41 0.00 0.00 0.00 0.00 19.45 19.29 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 4.01 0.59 -0.63 0.00 3.64 -1.93 -0.75 116.57 121.50 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 1.52 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3a6g h LYS 231 CO 0.28 0.39 0.00 0.25 -2.27 0.00 0.00 179.45 178.10 3a6g n THR 232 N -4.56 1.50 -2.31 1.00 -2.24 -1.26 -4.95 114.28 101.46 3a6g n THR 232 Ca 0.18 -0.94 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 3a6g n THR 232 Cb 0.54 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.83 2.80 0.12 6.98 0.00 -0.29 -5.04 121.76 124.50 3a6g s ALA 233 Ca 0.41 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.67 3a6g s ALA 233 Cb 0.27 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 20.19 3a6g s ALA 233 CO 0.19 -0.56 0.55 -1.54 0.00 0.00 0.00 175.76 174.40 3a6g s SER 234 N -2.32 -0.48 0.31 0.00 1.04 -1.26 -4.93 113.70 106.06 3a6g s SER 234 Ca 0.66 0.01 -0.01 0.00 0.48 0.00 0.00 55.95 57.09 3a6g s SER 234 Cb -0.17 0.55 0.49 0.00 0.10 0.00 0.00 66.02 66.99 3a6g s SER 234 CO 0.28 -0.87 1.98 -0.09 0.98 0.00 0.00 173.24 175.52 3a6g h ARG 235 N 2.30 1.02 -0.44 4.02 2.43 -1.85 -1.38 114.38 120.49 3a6g h ARG 235 Ca -0.33 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3a6g h ARG 235 Cb 1.27 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 3a6g h ARG 235 CO 0.41 0.68 0.21 0.93 -1.51 0.00 0.00 179.97 180.68 3a6g h GLU 236 N 1.06 0.63 -0.47 0.20 3.07 -1.95 -0.13 114.58 116.99 3a6g h GLU 236 Ca 0.29 -0.10 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 3a6g h GLU 236 Cb -0.12 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.65 3a6g h GLU 236 CO -0.06 0.55 0.01 0.87 -1.40 0.00 0.00 179.01 178.97 3a6g h LYS 237 N 0.57 0.76 -0.74 2.33 1.57 -1.80 -2.30 116.57 116.97 3a6g h LYS 237 Ca 0.15 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3a6g h LYS 237 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3a6g h LYS 237 CO -0.02 0.77 0.26 0.78 -0.57 0.00 0.00 179.45 180.67 3a6g h GLY 238 N 0.96 1.21 1.31 3.86 0.00 -0.67 -0.68 103.07 109.05 3a6g h GLY 238 Ca 0.14 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3a6g h GLY 238 CO 0.02 0.65 -0.03 0.83 0.00 0.00 0.00 176.54 178.01 3a6g h GLU 239 N 1.08 0.84 0.18 4.80 5.08 -0.73 -0.03 114.58 125.79 3a6g h GLU 239 Ca 0.24 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3a6g h GLU 239 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3a6g h GLU 239 CO -0.01 0.86 -0.08 1.25 -1.00 0.00 0.00 179.01 180.02 3a6g h LEU 240 N 0.77 -0.20 -0.28 1.33 5.85 -1.07 -1.80 115.31 119.90 3a6g h LEU 240 Ca 0.14 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3a6g h LEU 240 Cb 0.51 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3a6g h LEU 240 CO 0.03 0.07 0.06 0.40 -0.34 0.00 0.00 178.44 178.65 3a6g h ILE 241 N -0.48 0.87 0.07 4.05 2.04 -1.01 -1.26 117.51 121.79 3a6g h ILE 241 Ca -0.02 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3a6g h ILE 241 Cb 0.37 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3a6g h ILE 241 CO 0.04 0.03 -0.19 0.25 0.00 0.00 0.00 178.15 178.28 3a6g h LEU 242 N 0.16 -0.53 -0.81 1.44 5.85 -0.95 -0.03 115.31 120.45 3a6g h LEU 242 Ca 0.13 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3a6g h LEU 242 Cb 0.14 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3a6g h LEU 242 CO -0.17 -0.26 0.40 -0.08 -0.34 0.00 0.00 178.44 177.99 3a6g h GLU 243 N -0.34 1.16 -0.61 1.25 4.57 -1.18 0.33 114.58 119.76 3a6g h GLU 243 Ca 0.04 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 3a6g h GLU 243 Cb 0.38 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 3a6g h GLU 243 CO -0.13 0.89 0.20 0.28 -1.18 0.00 0.00 179.01 179.07 3a6g h VAL 244 N 1.14 1.24 -0.19 0.32 2.07 -0.96 -2.22 116.25 117.64 3a6g h VAL 244 Ca 0.28 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 3a6g h VAL 244 Cb 0.10 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3a6g h VAL 244 CO -0.04 0.31 -0.45 0.00 0.02 0.00 0.00 177.57 177.41 3a6g h VAL 246 N 0.33 0.99 -0.25 0.00 2.07 -0.88 0.90 116.25 119.41 3a6g h VAL 246 Ca -0.00 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 3a6g h VAL 246 Cb 1.06 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3a6g h VAL 246 CO 0.10 0.01 -0.36 1.56 0.02 0.00 0.00 177.57 178.90 3a6g h GLN 247 N -0.06 0.55 -0.34 1.57 1.08 -1.49 0.13 115.11 116.54 3a6g h GLN 247 Ca -0.00 -0.26 -0.04 0.00 -1.45 0.00 0.00 58.65 56.89 3a6g h GLN 247 Cb 0.05 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 3a6g h GLN 247 CO 0.01 0.83 0.05 0.78 -0.95 0.00 0.00 178.83 179.55 3a6g h GLY 248 N 1.05 0.62 1.18 3.46 0.00 -1.23 -1.39 103.07 106.76 3a6g h GLY 248 Ca 0.05 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 3a6g h GLY 248 CO 0.07 0.38 -0.43 -2.22 0.00 0.00 0.00 176.54 174.34 3a6g h ILE 249 N 0.41 1.28 -0.66 2.60 2.04 -0.74 -1.99 117.51 120.43 3a6g h ILE 249 Ca 0.10 -1.61 0.02 0.00 1.00 0.00 0.00 64.86 64.37 3a6g h ILE 249 Cb 0.36 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3a6g h ILE 249 CO 0.01 0.53 0.43 0.00 0.00 0.00 0.00 178.15 179.12 3a6g h ALA 250 N 0.79 0.85 -0.12 1.87 0.00 -0.88 -0.93 119.26 120.84 3a6g h ALA 250 Ca 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3a6g h ALA 250 Cb 1.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3a6g h ALA 250 CO 0.10 0.22 -0.44 -0.44 0.00 0.00 0.00 179.25 178.69 3a6g h ASP 251 N 0.85 0.31 -0.50 0.00 3.32 -1.16 -1.90 116.42 117.35 3a6g h ASP 251 Ca 0.25 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 3a6g h ASP 251 Cb -0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3a6g h ASP 251 CO -0.08 0.72 -0.02 0.00 -1.72 0.00 0.00 179.24 178.15 3a6g h ALA 252 N 1.29 0.68 -0.56 3.45 0.00 -0.78 -2.26 119.26 121.08 3a6g h ALA 252 Ca 0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3a6g h ALA 252 Cb 0.88 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3a6g h ALA 252 CO 0.07 0.51 0.11 0.82 0.00 0.00 0.00 179.25 180.76 3a6g h ILE 253 N 0.76 1.25 -0.99 0.00 1.08 -1.03 -1.46 117.51 117.13 3a6g h ILE 253 Ca 0.14 -0.93 0.03 0.00 -0.39 0.00 0.00 64.86 63.71 3a6g h ILE 253 Cb 0.55 0.78 -0.06 0.00 -3.07 0.00 0.00 36.82 35.02 3a6g h ILE 253 CO 0.03 0.34 0.65 0.03 -0.69 0.00 0.00 178.15 178.51 3a6g h ARG 254 N 0.81 1.23 -0.09 2.37 3.08 -1.17 0.31 114.38 120.93 3a6g h ARG 254 Ca 0.17 -0.07 -0.20 0.00 0.07 0.00 0.00 59.98 59.95 3a6g h ARG 254 Cb 0.38 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3a6g h ARG 254 CO 0.01 0.82 -0.76 0.93 -1.07 0.00 0.00 179.97 179.89 3a6g h GLU 255 N 1.27 0.53 0.00 0.04 5.08 -1.13 -2.86 114.58 117.51 3a6g h GLU 255 Ca 0.39 -0.44 -0.24 0.00 -1.00 0.00 0.00 59.36 58.07 3a6g h GLU 255 Cb -0.03 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3a6g h GLU 255 CO -0.11 1.07 -1.22 0.93 -1.00 0.00 0.00 179.01 178.68 3a6g h GLU 256 N 0.35 0.01 -2.17 2.33 4.39 -0.98 -3.38 114.58 115.13 3a6g h GLU 256 Ca -0.04 -0.01 -0.58 0.00 0.34 0.00 0.00 59.36 59.06 3a6g h GLU 256 Cb 1.36 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.60 3a6g h GLU 256 CO 0.14 0.85 -0.71 1.19 -1.16 0.00 0.00 179.01 179.32 3a6g n PHE 257 N -3.26 2.97 -1.71 4.33 3.72 0.11 -5.09 117.46 118.53 3a6g n PHE 257 Ca -0.05 -4.01 -0.42 0.00 -0.05 0.00 0.00 57.45 52.91 3a6g n PHE 257 Cb 0.98 -0.50 -0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3a6g n PHE 257 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3a6g n PRO 258 N 0.63 2.17 0.00 -1.08 -0.04 -1.08 -4.67 135.00 130.92 3a6g n PRO 258 Ca 0.29 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 3a6g n PRO 258 Cb 0.44 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 3a6g n PRO 258 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16