#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 6.41 0.00 3.14 0.15 -1.26 -4.97 113.70 117.17 3a6g s SER 4 Ca 0.00 1.83 0.25 0.00 0.70 0.00 0.00 55.95 58.74 3a6g s SER 4 Cb 0.00 -2.55 0.53 0.00 -1.71 0.00 0.00 66.02 62.29 3a6g s SER 4 CO 0.00 -0.73 1.43 1.33 1.20 0.00 0.00 173.24 176.47 3a6g n VAL 5 N -1.10 0.00 -3.04 4.45 0.24 -1.26 -4.88 118.33 112.74 3a6g n VAL 5 Ca 0.09 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 3a6g n VAL 5 Cb 0.53 0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 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 -2.27 3.32 0.27 6.34 0.08 -1.26 0.58 117.98 125.04 3a6g s PHE 6 Ca 0.27 0.96 0.00 0.00 0.12 0.00 0.00 56.93 58.28 3a6g s PHE 6 Cb 0.20 -2.90 0.54 0.00 -0.57 0.00 0.00 43.02 40.29 3a6g s PHE 6 CO 0.44 -0.30 1.80 0.28 -0.10 0.00 0.00 175.22 177.33 3a6g h VAL 7 N 5.35 0.82 0.00 -0.44 2.07 -1.20 -0.39 116.25 122.45 3a6g h VAL 7 Ca -0.27 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3a6g h VAL 7 Cb 1.12 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3a6g h VAL 7 CO 0.80 0.15 -0.01 1.23 0.02 0.00 0.00 177.57 179.76 3a6g h GLY 8 N 0.80 0.00 -2.28 2.17 0.00 -1.93 -1.78 103.07 100.06 3a6g h GLY 8 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3a6g h GLY 8 CO -0.31 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.41 3a6g n GLU 9 N -3.56 2.44 -4.19 4.80 1.02 -0.16 -4.93 120.64 116.05 3a6g n GLU 9 Ca -0.03 -2.23 -0.24 0.00 -0.02 0.00 0.00 57.16 54.64 3a6g n GLU 9 Cb 0.10 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.01 3.49 0.57 -4.62 1.43 -0.67 -4.92 118.68 112.94 3a6g s LEU 10 Ca 0.42 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 3a6g s LEU 10 Cb 0.22 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3a6g s LEU 10 CO 0.28 0.02 0.91 0.42 0.23 0.00 0.00 176.35 178.21 3a6g s THR 11 N -2.06 4.43 0.46 5.49 -4.23 -1.26 -4.91 115.64 113.56 3a6g s THR 11 Ca 0.31 0.37 0.20 0.00 -1.18 0.00 0.00 61.69 61.39 3a6g s THR 11 Cb -0.08 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 70.27 3a6g s THR 11 CO 0.22 -0.83 2.06 4.11 -0.54 0.00 0.00 174.62 179.64 3a6g h TRP 12 N -0.10 0.00 -0.51 3.99 5.08 -1.99 -2.08 115.95 120.34 3a6g h TRP 12 Ca -0.46 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.40 3a6g h TRP 12 Cb 1.22 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.36 3a6g h TRP 12 CO 0.57 0.13 -0.13 0.87 -1.28 0.00 0.00 178.44 178.61 3a6g h LYS 13 N 0.00 0.98 -0.43 0.12 1.79 -1.99 0.34 116.57 117.38 3a6g h LYS 13 Ca -0.00 -0.38 -0.12 0.00 -2.18 0.00 0.00 60.65 57.98 3a6g h LYS 13 Cb 0.27 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 3a6g h LYS 13 CO 0.02 1.05 -0.18 0.93 -1.08 0.00 0.00 179.45 180.18 3a6g h GLU 14 N 0.84 0.88 -0.38 3.15 5.08 -1.80 -1.95 114.58 120.40 3a6g h GLU 14 Ca 0.13 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3a6g h GLU 14 Cb 0.69 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3a6g h GLU 14 CO 0.05 1.02 0.07 -0.92 -1.00 0.00 0.00 179.01 178.23 3a6g h TYR 15 N 0.71 0.67 -0.76 4.33 5.03 -1.29 -2.27 116.97 123.39 3a6g h TYR 15 Ca 0.10 -0.09 0.04 0.00 2.58 0.00 0.00 58.73 61.35 3a6g h TYR 15 Cb 0.74 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.79 3a6g h TYR 15 CO 0.05 0.67 0.48 1.49 -1.32 0.00 0.00 178.16 179.53 3a6g h GLU 16 N 0.48 0.90 -0.51 1.82 4.22 -0.84 -0.95 114.58 119.68 3a6g h GLU 16 Ca 0.12 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.46 3a6g h GLU 16 Cb 0.36 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3a6g h GLU 16 CO 0.01 0.59 0.17 0.00 -2.18 0.00 0.00 179.01 177.60 3a6g h ALA 17 N 1.33 0.67 -0.66 2.92 0.00 -1.20 0.15 119.26 122.47 3a6g h ALA 17 Ca 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3a6g h ALA 17 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3a6g h ALA 17 CO -0.12 0.32 0.26 0.00 0.00 0.00 0.00 179.25 179.71 3a6g h ARG 18 N 0.69 0.99 -0.10 0.00 2.47 -0.89 -0.29 114.38 117.24 3a6g h ARG 18 Ca 0.17 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.59 3a6g h ARG 18 Cb 0.26 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3a6g h ARG 18 CO -0.01 0.83 -0.38 0.28 0.56 0.00 0.00 179.97 181.25 3a6g h VAL 19 N 0.93 1.39 0.00 2.04 2.07 -1.03 -3.06 116.25 118.59 3a6g h VAL 19 Ca 0.22 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3a6g h VAL 19 Cb 0.21 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3a6g h VAL 19 CO -0.02 0.51 -0.01 0.00 0.02 0.00 0.00 177.57 178.06 3a6g h ALA 20 N 0.48 1.02 0.00 1.67 0.00 -0.62 -1.26 119.26 120.55 3a6g h ALA 20 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3a6g h ALA 20 Cb 1.01 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 3a6g h ALA 20 CO 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 179.25 179.27 3a6g h ALA 21 N 1.99 1.07 0.00 0.00 0.00 -0.93 -3.49 119.26 117.90 3a6g h ALA 21 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3a6g h ALA 21 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a6g h ALA 21 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3a6g n GLY 22 N -0.30 -1.27 2.66 0.00 0.00 -0.48 -4.91 105.19 100.88 3a6g n GLY 22 Ca -0.01 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 3a6g n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a6g n ASP 23 N -1.30 -5.29 -4.68 1.61 8.00 -1.26 -4.94 116.55 108.69 3a6g n ASP 23 Ca 0.00 0.23 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 3a6g n ASP 23 Cb 0.00 -3.61 -0.03 0.00 -0.02 0.00 0.00 41.12 37.46 3a6g n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a6g s VAL 25 N 2.95 5.27 -0.07 0.00 1.01 -1.26 -4.18 120.40 124.11 3a6g s VAL 25 Ca 0.61 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.85 3a6g s VAL 25 Cb -0.28 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3a6g s VAL 25 CO 0.23 0.23 0.13 -0.76 0.00 0.00 0.00 175.10 174.92 3a6g s LEU 26 N 1.80 4.24 -0.07 3.92 1.43 -0.55 -1.49 118.68 127.96 3a6g s LEU 26 Ca 0.10 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 3a6g s LEU 26 Cb -0.16 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.85 3a6g s LEU 26 CO 0.10 0.35 -0.21 -0.04 0.23 0.00 0.00 176.35 176.79 3a6g s MET 27 N -1.33 2.35 -0.24 1.70 -1.94 0.28 -0.19 119.30 119.94 3a6g s MET 27 Ca 0.19 -0.75 0.02 0.00 -1.71 0.00 0.00 55.69 53.44 3a6g s MET 27 Cb -0.12 -1.92 0.05 0.00 2.01 0.00 0.00 34.83 34.85 3a6g s MET 27 CO 0.09 0.24 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.07 3a6g s LEU 28 N 0.14 2.87 0.16 -0.03 2.96 0.43 -0.41 118.68 124.81 3a6g s LEU 28 Ca -0.09 -1.19 -0.30 0.00 -0.22 0.00 0.00 54.13 52.33 3a6g s LEU 28 Cb -0.15 -1.37 -0.07 0.00 0.50 0.00 0.00 46.19 45.11 3a6g s LEU 28 CO 0.05 -0.19 1.07 -2.84 -1.32 0.00 0.00 176.35 173.12 3a6g s PRO 29 N 1.26 4.62 -0.17 0.98 0.02 -1.26 -1.45 135.00 139.00 3a6g s PRO 29 Ca -0.06 1.66 -0.00 0.00 0.02 0.00 0.00 61.00 62.62 3a6g s PRO 29 Cb -0.19 -3.30 0.04 0.00 0.02 0.00 0.00 34.50 31.08 3a6g s PRO 29 CO -0.06 0.11 -0.07 0.54 -0.33 0.00 0.00 177.00 177.18 3a6g s VAL 30 N -0.20 1.28 0.00 3.83 0.11 -0.54 -0.93 120.40 123.94 3a6g s VAL 30 Ca 0.49 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.84 3a6g s VAL 30 Cb -0.28 -1.39 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 3a6g s VAL 30 CO 0.34 0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 3a6g n GLY 31 N 4.82 4.58 3.59 6.54 0.00 -0.23 -1.10 105.19 123.40 3a6g n GLY 31 Ca -0.13 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.03 -0.39 4.61 0.00 -1.23 -2.93 121.76 117.79 3a6g s ALA 32 Ca 0.00 1.28 -0.06 0.00 0.00 0.00 0.00 51.96 53.19 3a6g s ALA 32 Cb 0.00 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.29 3a6g s ALA 32 CO 0.00 -0.71 0.18 -1.17 0.00 0.00 0.00 175.76 174.07 3a6g s LEU 33 N -2.40 4.90 -0.05 0.00 2.96 -1.16 -4.24 118.68 118.68 3a6g s LEU 33 Ca 0.10 -1.61 -0.07 0.00 -0.22 0.00 0.00 54.13 52.32 3a6g s LEU 33 Cb -0.00 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.83 3a6g s LEU 33 CO -0.05 -0.48 0.19 -0.70 -1.32 0.00 0.00 176.35 174.00 3a6g s GLU 34 N 1.30 0.32 0.33 1.98 2.12 -0.24 -1.36 118.70 123.16 3a6g s GLU 34 Ca 0.03 0.09 -0.28 0.00 0.36 0.00 0.00 54.97 55.17 3a6g s GLU 34 Cb -0.22 0.14 -0.12 0.00 0.26 0.00 0.00 34.13 34.19 3a6g s GLU 34 CO -0.00 -0.06 1.34 0.00 -0.54 0.00 0.00 175.26 176.00 3a6g n GLN 35 N 2.52 2.23 -2.61 4.30 -0.00 -1.26 -4.32 117.38 118.23 3a6g n GLN 35 Ca -0.15 0.78 -0.15 0.00 -0.00 0.00 0.00 57.00 57.48 3a6g n GLN 35 Cb 0.58 -2.40 0.02 0.00 -0.00 0.00 0.00 30.24 28.43 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 0.59 1.91 -3.40 2.61 8.25 -1.26 -4.99 115.22 118.93 3a6g n HIS 36 Ca 0.05 -2.92 0.00 0.00 -0.26 0.00 0.00 57.72 54.60 3a6g n HIS 36 Cb 0.36 -0.28 -0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.20 -2.05 0.09 -1.41 0.00 -1.24 -3.51 105.19 96.88 3a6g n GLY 37 Ca 0.19 -1.41 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.02 0.00 -0.00 1.61 3.86 -1.84 -3.37 115.15 115.39 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 0.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.49 3a6g h HIS 38 CO 0.00 0.00 -0.93 -2.39 0.86 0.00 0.00 177.93 175.47 3a6g n HIS 39 N -2.27 0.00 -4.25 2.45 1.44 -1.26 -4.85 115.22 106.48 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 0.45 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.46 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 -2.89 1.09 0.94 -1.40 1.00 -1.23 -1.45 119.30 115.37 3a6g s MET 40 Ca 0.08 -1.48 -0.13 0.00 0.00 0.00 0.00 55.69 54.16 3a6g s MET 40 Cb 0.16 -0.54 0.16 0.00 0.00 0.00 0.00 34.83 34.60 3a6g s MET 40 CO 0.82 0.02 1.16 0.00 0.00 0.00 0.00 175.02 177.01 3a6g n MET 42 N -3.84 0.83 -0.59 0.00 0.00 -1.26 -4.12 117.12 108.14 3a6g n MET 42 Ca 0.08 -0.53 0.09 0.00 0.00 0.00 0.00 57.70 57.34 3a6g n MET 42 Cb 0.59 -1.49 0.34 0.00 0.00 0.00 0.00 33.22 32.67 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 -0.62 4.58 -0.24 7.83 0.23 -1.26 -1.08 115.26 124.70 3a6g n ASN 43 Ca 0.11 -2.42 0.03 0.00 -0.53 0.00 0.00 54.58 51.77 3a6g n ASN 43 Cb 0.37 -0.57 0.12 0.00 -2.08 0.00 0.00 39.78 37.61 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 3.94 0.35 0.00 3.53 2.07 -1.82 0.14 116.25 124.46 3a6g h VAL 44 Ca 0.00 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3a6g h VAL 44 Cb 1.40 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3a6g h VAL 44 CO 0.22 0.01 0.00 0.44 0.02 0.00 0.00 177.57 178.27 3a6g h ASP 45 N 0.06 0.00 0.01 0.57 3.32 -1.81 -1.43 116.42 117.13 3a6g h ASP 45 Ca 0.37 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 57.01 3a6g h ASP 45 Cb 0.61 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.10 3a6g h ASP 45 CO -0.67 0.00 -2.26 0.52 -1.72 0.00 0.00 179.24 175.12 3a6g n VAL 46 N -2.30 1.54 -0.10 -1.35 0.31 -0.14 -4.01 118.33 112.28 3a6g n VAL 46 Ca -0.01 -0.37 -0.06 0.00 -0.01 0.00 0.00 64.34 63.89 3a6g n VAL 46 Cb 0.09 -1.82 0.01 0.00 -0.91 0.00 0.00 33.84 31.22 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 -0.75 0.14 0.15 7.52 3.38 -0.69 -2.61 115.31 122.46 3a6g h LEU 47 Ca -0.60 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 3a6g h LEU 47 Cb 1.64 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3a6g h LEU 47 CO -0.29 0.12 -0.07 -0.07 0.09 0.00 0.00 178.44 178.21 3a6g h LEU 48 N 0.28 -0.18 -1.60 1.67 3.38 -1.52 -1.22 115.31 116.12 3a6g h LEU 48 Ca 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3a6g h LEU 48 Cb 0.13 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3a6g h LEU 48 CO -0.16 0.06 -0.22 1.55 0.09 0.00 0.00 178.44 179.76 3a6g h PRO 49 N -0.41 0.00 -0.32 1.13 0.13 -1.76 -0.67 132.00 130.10 3a6g h PRO 49 Ca -0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 3a6g h PRO 49 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3a6g h PRO 49 CO 0.03 0.22 -0.17 1.15 -0.23 0.00 0.00 178.00 179.00 3a6g h THR 50 N 0.00 1.29 -0.50 1.56 2.02 -1.34 -0.17 112.91 115.78 3a6g h THR 50 Ca -0.00 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 3a6g h THR 50 Cb 0.43 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3a6g h THR 50 CO 0.03 0.41 0.06 0.00 0.37 0.00 0.00 175.52 176.39 3a6g h ALA 51 N 0.76 0.66 -0.40 6.16 0.00 -0.77 -0.74 119.26 124.93 3a6g h ALA 51 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3a6g h ALA 51 Cb 0.70 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3a6g h ALA 51 CO 0.05 0.42 0.13 0.28 0.00 0.00 0.00 179.25 180.12 3a6g h VAL 52 N 0.71 1.21 -0.79 0.00 2.07 -1.07 -2.56 116.25 115.82 3a6g h VAL 52 Ca 0.15 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3a6g h VAL 52 Cb 0.43 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3a6g h VAL 52 CO 0.01 0.25 0.52 0.00 0.02 0.00 0.00 177.57 178.38 3a6g h LYS 54 N 1.06 -0.16 -0.65 0.00 3.64 -0.94 0.29 116.57 119.81 3a6g h LYS 54 Ca 0.29 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3a6g h LYS 54 Cb -0.11 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 3a6g h LYS 54 CO -0.07 -0.11 0.13 0.00 -2.27 0.00 0.00 179.45 177.13 3a6g h ARG 55 N -0.17 1.05 -0.30 1.90 3.08 -1.20 -0.98 114.38 117.77 3a6g h ARG 55 Ca 0.03 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 3a6g h ARG 55 Cb 0.21 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3a6g h ARG 55 CO -0.09 0.95 -0.06 0.28 -1.07 0.00 0.00 179.97 179.97 3a6g h VAL 56 N 0.99 1.28 -0.90 2.04 2.07 -0.88 -2.77 116.25 118.09 3a6g h VAL 56 Ca 0.20 -1.09 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3a6g h VAL 56 Cb 0.39 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3a6g h VAL 56 CO 0.01 0.35 0.59 0.00 0.02 0.00 0.00 177.57 178.53 3a6g h ALA 57 N 0.79 1.43 -0.03 1.67 0.00 -0.17 -1.24 119.26 121.71 3a6g h ALA 57 Ca 0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3a6g h ALA 57 Cb 0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3a6g h ALA 57 CO 0.03 0.48 -0.34 0.93 0.00 0.00 0.00 179.25 180.35 3a6g h GLU 58 N 1.13 0.06 0.00 0.00 5.08 -1.05 0.27 114.58 120.07 3a6g h GLU 58 Ca 0.36 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.46 3a6g h GLU 58 Cb 0.02 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3a6g h GLU 58 CO -0.11 0.40 -1.32 0.00 -1.00 0.00 0.00 179.01 176.98 3a6g h ARG 59 N 0.05 0.00 -0.01 2.33 3.08 -1.06 -3.38 114.38 115.40 3a6g h ARG 59 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3a6g h ARG 59 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3a6g h ARG 59 CO 0.05 0.65 -0.12 0.44 -1.07 0.00 0.00 179.97 179.91 3a6g n ILE 60 N -3.15 0.00 -2.53 2.04 -5.35 -0.55 -5.01 119.36 104.81 3a6g n ILE 60 Ca -0.08 -0.44 -0.01 0.00 -0.27 0.00 0.00 62.75 61.95 3a6g n ILE 60 Cb 0.96 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 40.04 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 0.79 0.86 3.91 3.28 0.00 0.01 -5.05 105.19 108.99 3a6g n GLY 61 Ca 0.05 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.01 4.25 0.09 4.61 0.00 -0.75 -4.70 121.76 122.24 3a6g s ALA 62 Ca 0.03 -1.76 0.09 0.00 0.00 0.00 0.00 51.96 50.32 3a6g s ALA 62 Cb -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3a6g s ALA 62 CO 0.03 -0.36 -0.23 -0.51 0.00 0.00 0.00 175.76 174.69 3a6g s LEU 63 N -4.24 2.43 -0.18 0.00 1.43 -0.56 -4.69 118.68 112.87 3a6g s LEU 63 Ca 0.46 -0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3a6g s LEU 63 Cb -0.03 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.80 3a6g s LEU 63 CO 0.28 0.22 -0.08 -0.69 0.23 0.00 0.00 176.35 176.31 3a6g s VAL 64 N -0.98 3.27 0.55 -1.59 1.01 0.20 -0.55 120.40 122.30 3a6g s VAL 64 Ca 0.14 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 3a6g s VAL 64 Cb -0.10 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 3a6g s VAL 64 CO 0.06 0.47 0.93 -0.04 0.00 0.00 0.00 175.10 176.52 3a6g s MET 65 N 0.99 3.65 0.26 2.72 -1.94 0.46 -0.61 119.30 124.81 3a6g s MET 65 Ca -0.01 0.60 -0.31 0.00 -1.71 0.00 0.00 55.69 54.26 3a6g s MET 65 Cb -0.15 -2.20 -0.12 0.00 2.01 0.00 0.00 34.83 34.37 3a6g s MET 65 CO -0.00 -0.38 1.58 -2.30 -0.01 0.00 0.00 175.02 173.91 3a6g n PRO 66 N -2.32 2.53 -2.11 2.03 -0.02 -1.26 -4.45 135.00 129.40 3a6g n PRO 66 Ca 0.04 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 62.10 3a6g n PRO 66 Cb 0.54 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.61 2.14 -0.32 -1.23 0.00 -1.26 -4.70 107.32 102.56 3a6g s GLY 67 Ca 0.68 0.38 -0.26 0.00 0.00 0.00 0.00 44.72 45.52 3a6g s GLY 67 CO 0.45 0.70 0.93 1.08 0.00 0.00 0.00 173.10 176.26 3a6g s LEU 68 N -4.40 4.02 0.34 0.66 1.43 -0.11 -4.92 118.68 115.69 3a6g s LEU 68 Ca 0.63 0.84 0.18 0.00 -1.03 0.00 0.00 54.13 54.75 3a6g s LEU 68 Cb -0.15 -3.31 0.37 0.00 0.03 0.00 0.00 46.19 43.13 3a6g s LEU 68 CO 0.35 -0.75 1.59 1.56 0.23 0.00 0.00 176.35 179.33 3a6g h GLN 69 N 8.12 0.00 -5.64 1.70 1.08 -1.89 -0.60 115.11 117.88 3a6g h GLN 69 Ca -0.22 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.30 3a6g h GLN 69 Cb 1.08 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 28.21 3a6g h GLN 69 CO 0.96 0.40 -0.83 0.71 -0.95 0.00 0.00 178.83 179.11 3a6g s TYR 70 N -3.23 2.62 0.00 2.96 1.51 -1.26 -3.00 117.35 116.95 3a6g s TYR 70 Ca 0.03 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3a6g s TYR 70 Cb 0.09 -1.71 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 3a6g s TYR 70 CO 0.71 -0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.33 3a6g n GLY 71 N 3.22 4.07 3.79 0.71 0.00 -1.15 -4.78 105.19 111.05 3a6g n GLY 71 Ca -0.18 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.91 2.80 0.12 1.61 5.04 -1.26 -1.03 117.35 123.71 3a6g s TYR 72 Ca 0.00 1.51 -0.35 0.00 -2.44 0.00 0.00 57.07 55.79 3a6g s TYR 72 Cb -0.00 -3.03 -0.17 0.00 0.35 0.00 0.00 41.96 39.12 3a6g s TYR 72 CO 0.00 -1.51 1.22 1.63 -1.34 0.00 0.00 175.55 175.55 3a6g n LYS 73 N -2.91 1.03 -2.13 4.97 5.02 -1.25 -4.76 118.16 118.13 3a6g n LYS 73 Ca 0.09 0.37 -0.41 0.00 -2.02 0.00 0.00 58.31 56.34 3a6g n LYS 73 Cb 0.53 -1.92 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3a6g n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3a6g s SER 74 N 0.18 6.80 -0.04 4.39 0.01 -1.26 -4.90 113.70 118.88 3a6g s SER 74 Ca 0.79 2.51 -0.03 0.00 1.31 0.00 0.00 55.95 60.53 3a6g s SER 74 Cb -0.93 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 62.64 3a6g s SER 74 CO 0.50 -0.60 0.14 -1.10 0.41 0.00 0.00 173.24 172.59 3a6g s GLN 75 N -0.17 3.33 0.20 12.44 -1.52 -1.26 -1.87 119.66 130.81 3a6g s GLN 75 Ca 0.58 -0.31 -0.16 0.00 -1.95 0.00 0.00 55.36 53.52 3a6g s GLN 75 Cb -0.39 -3.05 0.19 0.00 -0.22 0.00 0.00 33.01 29.53 3a6g s GLN 75 CO 0.40 0.70 1.62 0.37 -0.25 0.00 0.00 175.29 178.13 3a6g h GLN 76 N 4.28 -0.06 0.00 2.91 4.15 -1.90 0.31 115.11 124.79 3a6g h GLN 76 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3a6g h GLN 76 Cb 1.20 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3a6g h GLN 76 CO 0.64 -0.04 0.00 1.63 -1.93 0.00 0.00 178.83 179.13 3a6g n LYS 77 N -5.42 0.02 0.00 1.69 5.02 -1.26 -2.01 118.16 116.20 3a6g n LYS 77 Ca 0.06 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3a6g n LYS 77 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.48 4.35 0.00 4.39 3.41 -0.80 -4.84 113.62 118.65 3a6g n SER 78 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3a6g n SER 78 Cb 0.22 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 3.26 0.26 0.68 5.00 0.00 0.10 -4.47 105.19 110.03 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 -0.26 2.91 0.00 -0.02 0.00 -0.85 -4.83 105.19 102.13 3a6g n GLY 80 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 3.48 1.10 -0.02 0.00 -1.18 -4.39 105.19 104.17 3a6g n GLY 81 Ca 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.31 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 2.89 -0.22 1.61 5.15 -0.78 -3.64 115.26 120.27 3a6g n ASN 82 Ca 0.00 -2.39 0.11 0.00 -0.60 0.00 0.00 54.58 51.70 3a6g n ASN 82 Cb 0.00 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 38.68 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 0.19 0.00 -2.57 1.20 1.44 -1.26 -4.96 115.22 109.26 3a6g n HIS 83 Ca 0.12 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.48 3a6g n HIS 83 Cb 0.66 -0.04 -0.04 0.00 0.12 0.00 0.00 29.99 30.69 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 -2.74 3.15 0.74 -1.40 0.40 -1.24 -5.03 117.98 111.85 3a6g s PHE 84 Ca 0.14 1.61 -0.11 0.00 -0.60 0.00 0.00 56.93 57.97 3a6g s PHE 84 Cb 0.17 -3.07 0.03 0.00 0.51 0.00 0.00 43.02 40.67 3a6g s PHE 84 CO 0.70 -0.66 1.07 -2.14 0.70 0.00 0.00 175.22 174.89 3a6g s PRO 85 N -2.90 2.57 0.00 0.24 0.02 -1.26 -3.72 135.00 129.95 3a6g s PRO 85 Ca 0.63 0.86 0.00 0.00 0.02 0.00 0.00 61.00 62.51 3a6g s PRO 85 Cb -0.18 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3a6g s PRO 85 CO 0.22 -1.34 0.00 0.41 -0.33 0.00 0.00 177.00 175.97 3a6g n GLY 86 N -1.95 1.95 3.68 0.52 0.00 -1.26 -4.68 105.19 103.44 3a6g n GLY 86 Ca 0.07 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.40 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 0.42 -3.87 2.61 -1.04 -1.24 -4.68 114.28 106.48 3a6g n THR 87 Ca 0.00 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 3a6g n THR 87 Cb 0.00 -1.93 -0.15 0.00 -1.82 0.00 0.00 70.33 66.42 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 3.06 1.33 0.14 12.58 2.01 -0.46 -4.96 115.64 129.34 3a6g s THR 88 Ca 0.86 -1.37 0.07 0.00 0.31 0.00 0.00 61.69 61.56 3a6g s THR 88 Cb -0.59 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3a6g s THR 88 CO 0.43 -0.36 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.53 3a6g s SER 89 N 1.44 4.67 0.31 3.53 0.01 -1.26 -4.39 113.70 118.00 3a6g s SER 89 Ca 0.02 -0.38 0.01 0.00 1.31 0.00 0.00 55.95 56.92 3a6g s SER 89 Cb -0.18 -0.97 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 3a6g s SER 89 CO -0.12 0.13 0.49 -0.76 0.41 0.00 0.00 173.24 173.38 3a6g s LEU 90 N -2.64 4.11 0.60 2.44 1.43 -0.20 -4.86 118.68 119.54 3a6g s LEU 90 Ca 0.25 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.57 3a6g s LEU 90 Cb -0.10 -3.20 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 3a6g s LEU 90 CO 0.17 -0.21 1.05 -1.81 0.23 0.00 0.00 176.35 175.77 3a6g s ASP 91 N -3.91 5.86 0.24 2.29 1.01 -1.26 -3.76 116.67 117.15 3a6g s ASP 91 Ca 0.39 1.75 -0.05 0.00 0.71 0.00 0.00 52.55 55.34 3a6g s ASP 91 Cb -0.10 -2.52 0.38 0.00 1.01 0.00 0.00 42.92 41.69 3a6g s ASP 91 CO 0.34 -1.11 1.79 1.23 0.21 0.00 0.00 175.17 177.62 3a6g h GLY 92 N 0.35 1.18 1.63 0.21 0.00 -1.98 -2.03 103.07 102.43 3a6g h GLY 92 Ca -0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 3a6g h GLY 92 CO 0.58 0.08 0.13 0.00 0.00 0.00 0.00 176.54 177.33 3a6g h ALA 93 N 1.45 1.59 -0.20 3.60 0.00 -1.99 -1.56 119.26 122.15 3a6g h ALA 93 Ca 0.38 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3a6g h ALA 93 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3a6g h ALA 93 CO -0.27 0.32 -0.08 1.15 0.00 0.00 0.00 179.25 180.38 3a6g h THR 94 N 0.48 1.30 -0.24 0.00 2.02 -1.75 -0.79 112.91 113.93 3a6g h THR 94 Ca 0.12 -1.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.16 3a6g h THR 94 Cb 0.11 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3a6g h THR 94 CO -0.01 0.34 0.03 0.25 0.37 0.00 0.00 175.52 176.50 3a6g h LEU 95 N 0.11 0.39 -0.75 2.58 5.85 -1.27 -1.92 115.31 120.30 3a6g h LEU 95 Ca 0.05 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3a6g h LEU 95 Cb 0.55 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3a6g h LEU 95 CO 0.03 0.56 0.49 0.71 -0.34 0.00 0.00 178.44 179.88 3a6g h THR 96 N 0.20 1.20 -0.37 1.05 1.35 -1.29 -1.90 112.91 113.15 3a6g h THR 96 Ca 0.07 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.50 3a6g h THR 96 Cb 0.34 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 66.85 3a6g h THR 96 CO 0.01 0.20 0.02 1.23 -0.25 0.00 0.00 175.52 176.73 3a6g h GLY 97 N 1.02 0.62 0.82 5.82 0.00 -1.03 -0.31 103.07 110.01 3a6g h GLY 97 Ca 0.27 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3a6g h GLY 97 CO -0.06 0.34 -0.05 -0.84 0.00 0.00 0.00 176.54 175.93 3a6g h THR 98 N 0.55 1.29 -0.58 4.70 2.02 -0.80 -0.10 112.91 119.98 3a6g h THR 98 Ca 0.12 -1.04 -0.03 0.00 0.77 0.00 0.00 66.41 66.23 3a6g h THR 98 Cb 0.32 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3a6g h THR 98 CO 0.01 0.32 0.25 0.58 0.37 0.00 0.00 175.52 177.04 3a6g h VAL 99 N 0.14 1.22 -0.20 3.16 2.07 -1.15 -1.97 116.25 119.53 3a6g h VAL 99 Ca 0.05 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3a6g h VAL 99 Cb 0.51 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3a6g h VAL 99 CO 0.02 0.26 0.13 -0.61 0.02 0.00 0.00 177.57 177.39 3a6g h GLN 100 N 0.80 0.26 -0.88 1.57 4.15 -0.92 -2.01 115.11 118.08 3a6g h GLN 100 Ca 0.20 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 3a6g h GLN 100 Cb 0.18 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 3a6g h GLN 100 CO -0.02 0.17 0.46 -0.44 -1.93 0.00 0.00 178.83 177.07 3a6g h ASP 101 N 0.27 1.12 -0.32 -0.69 3.32 -0.86 -1.86 116.42 117.40 3a6g h ASP 101 Ca 0.07 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3a6g h ASP 101 Cb -0.03 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3a6g h ASP 101 CO -0.02 0.91 0.11 0.40 -1.72 0.00 0.00 179.24 178.93 3a6g h ILE 102 N 1.24 1.19 -0.77 0.35 1.08 -1.13 -2.00 117.51 117.47 3a6g h ILE 102 Ca 0.31 -0.61 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 3a6g h ILE 102 Cb 0.06 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 3a6g h ILE 102 CO -0.05 0.21 0.36 0.40 -0.69 0.00 0.00 178.15 178.39 3a6g h ILE 103 N 0.36 1.25 -0.66 -0.67 2.04 -1.19 -0.58 117.51 118.05 3a6g h ILE 103 Ca 0.10 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3a6g h ILE 103 Cb 0.22 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3a6g h ILE 103 CO -0.01 0.30 0.41 -0.09 0.00 0.00 0.00 178.15 178.77 3a6g h ARG 104 N 1.10 0.79 -0.35 2.37 2.43 -1.16 -1.21 114.38 118.35 3a6g h ARG 104 Ca 0.27 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.25 3a6g h ARG 104 Cb 0.13 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3a6g h ARG 104 CO -0.03 0.52 -0.30 0.93 -1.51 0.00 0.00 179.97 179.58 3a6g h GLU 105 N 0.81 0.82 -0.61 0.20 4.39 -0.99 -1.91 114.58 117.30 3a6g h GLU 105 Ca 0.26 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 3a6g h GLU 105 Cb 0.01 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3a6g h GLU 105 CO -0.10 1.05 0.22 -0.07 -1.16 0.00 0.00 179.01 178.95 3a6g h LEU 106 N 0.61 0.83 -0.78 1.33 3.38 -0.89 -0.72 115.31 119.06 3a6g h LEU 106 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3a6g h LEU 106 Cb 0.87 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3a6g h LEU 106 CO 0.08 0.76 0.05 0.00 0.09 0.00 0.00 178.44 179.42 3a6g h ALA 107 N 1.36 0.99 -0.62 1.53 0.00 -1.09 -1.00 119.26 120.43 3a6g h ALA 107 Ca 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3a6g h ALA 107 Cb 0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3a6g h ALA 107 CO -0.01 0.63 0.25 -0.09 0.00 0.00 0.00 179.25 180.02 3a6g h ARG 108 N 0.91 0.90 0.00 0.00 2.43 -0.47 -1.57 114.38 116.57 3a6g h ARG 108 Ca 0.18 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3a6g h ARG 108 Cb 0.46 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3a6g h ARG 108 CO 0.02 0.73 -0.20 0.45 -1.51 0.00 0.00 179.97 179.46 3a6g h HIS 109 N 0.89 0.00 0.00 2.20 3.86 -0.63 -3.46 115.15 118.01 3a6g h HIS 109 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3a6g h HIS 109 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3a6g h HIS 109 CO 0.01 0.20 0.00 0.41 0.86 0.00 0.00 177.93 179.42 3a6g n GLY 110 N -0.67 0.88 3.80 2.45 0.00 -0.59 -4.90 105.19 106.17 3a6g n GLY 110 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 2.79 0.00 4.61 0.00 -0.43 -4.96 121.76 121.77 3a6g s ALA 111 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3a6g s ALA 111 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3a6g s ALA 111 CO 0.00 -0.63 0.39 0.54 0.00 0.00 0.00 175.76 176.07 3a6g n ARG 112 N -1.61 0.00 -3.78 0.00 5.12 -1.26 -4.15 116.66 110.97 3a6g n ARG 112 Ca 0.09 -0.39 -0.24 0.00 -1.93 0.00 0.00 57.85 55.38 3a6g n ARG 112 Cb 0.53 -0.47 -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 0.70 -0.02 5.56 0.52 -1.26 -0.58 118.95 123.88 3a6g s ARG 113 Ca 0.00 0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.27 3a6g s ARG 113 Cb 0.00 -1.08 0.01 0.00 0.52 0.00 0.00 34.95 34.39 3a6g s ARG 113 CO 0.00 -0.31 -0.04 -1.17 0.02 0.00 0.00 175.30 173.80 3a6g s LEU 114 N 1.94 1.70 -0.20 2.53 2.96 -0.78 -1.48 118.68 125.35 3a6g s LEU 114 Ca 0.05 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 3a6g s LEU 114 Cb -0.12 -0.28 0.02 0.00 0.50 0.00 0.00 46.19 46.31 3a6g s LEU 114 CO -0.06 0.00 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.14 3a6g s VAL 115 N 0.32 2.36 -0.28 1.68 1.01 0.73 -0.56 120.40 125.66 3a6g s VAL 115 Ca -0.03 -0.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3a6g s VAL 115 Cb -0.07 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3a6g s VAL 115 CO -0.00 0.42 0.20 -0.76 0.00 0.00 0.00 175.10 174.95 3a6g s LEU 116 N 1.30 4.03 -0.40 3.92 1.02 0.73 -0.43 118.68 128.87 3a6g s LEU 116 Ca 0.03 -0.01 -0.10 0.00 0.02 0.00 0.00 54.13 54.07 3a6g s LEU 116 Cb -0.14 -2.13 0.05 0.00 0.02 0.00 0.00 46.19 43.98 3a6g s LEU 116 CO -0.10 -0.06 0.23 -0.32 0.02 0.00 0.00 176.35 176.12 3a6g s MET 117 N 1.77 2.74 -0.12 1.70 1.75 -0.53 -1.45 119.30 125.16 3a6g s MET 117 Ca 0.07 -1.25 -0.20 0.00 -1.25 0.00 0.00 55.69 53.07 3a6g s MET 117 Cb -0.16 -3.76 -0.04 0.00 2.84 0.00 0.00 34.83 33.71 3a6g s MET 117 CO 0.11 -0.81 0.57 1.21 -0.65 0.00 0.00 175.02 175.44 3a6g s ASN 118 N 1.82 6.77 0.00 1.11 2.47 -0.18 -1.47 114.94 125.46 3a6g s ASN 118 Ca 0.02 0.92 0.11 0.00 0.42 0.00 0.00 52.86 54.33 3a6g s ASN 118 Cb -0.21 -2.33 0.04 0.00 -1.45 0.00 0.00 41.25 37.30 3a6g s ASN 118 CO 0.05 -0.08 0.76 0.61 -3.72 0.00 0.00 177.10 174.72 3a6g n GLY 119 N 3.32 -0.24 2.97 1.21 0.00 -0.26 -4.49 105.19 107.70 3a6g n GLY 119 Ca -0.04 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.16 2.63 0.25 1.61 5.65 -1.25 -4.65 115.29 118.36 3a6g s HIS 120 Ca 0.11 -1.93 -0.09 0.00 0.25 0.00 0.00 55.06 53.40 3a6g s HIS 120 Cb 0.09 -1.71 0.40 0.00 -1.18 0.00 0.00 32.58 30.19 3a6g s HIS 120 CO 0.20 -0.81 1.61 -0.92 -0.65 0.00 0.00 174.74 174.17 3a6g h TYR 121 N 7.90 -0.25 0.00 3.88 3.20 -1.96 -1.26 116.97 128.49 3a6g h TYR 121 Ca -0.18 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3a6g h TYR 121 Cb 1.06 0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3a6g h TYR 121 CO 0.53 -0.31 0.00 0.93 -1.64 0.00 0.00 178.16 177.68 3a6g h GLU 122 N 0.04 0.00 0.00 1.82 3.07 -1.91 -2.79 114.58 114.81 3a6g h GLU 122 Ca 0.41 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.13 3a6g h GLU 122 Cb 0.68 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 3a6g h GLU 122 CO -0.76 0.00 -0.63 -0.91 -1.40 0.00 0.00 179.01 175.31 3a6g h ASN 123 N 0.00 0.00 -0.47 1.42 2.35 -1.54 -3.41 115.58 113.93 3a6g h ASN 123 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3a6g h ASN 123 Cb 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 3a6g h ASN 123 CO 0.00 0.63 -0.28 -1.54 -1.65 0.00 0.00 177.43 174.59 3a6g n SER 124 N -3.70 -0.50 0.22 5.81 3.41 -1.05 -1.39 113.62 116.41 3a6g n SER 124 Ca -0.01 1.02 0.07 0.00 -0.26 0.00 0.00 58.87 59.69 3a6g n SER 124 Cb 0.65 -0.20 0.51 0.00 -0.26 0.00 0.00 64.21 64.91 3a6g n SER 124 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3a6g h MET 125 N 0.00 0.00 0.00 4.33 2.86 -1.86 -1.03 114.93 119.23 3a6g h MET 125 Ca 0.08 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.53 3a6g h MET 125 Cb 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 3a6g h MET 125 CO -0.45 0.25 -0.88 0.74 1.06 0.00 0.00 176.91 177.63 3a6g h PHE 126 N 0.00 0.00 -0.25 -0.22 0.04 -1.51 -1.27 116.94 113.73 3a6g h PHE 126 Ca -0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 3a6g h PHE 126 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 3a6g h PHE 126 CO 0.00 0.88 -0.15 0.82 -0.60 0.00 0.00 178.31 179.27 3a6g h ILE 127 N 0.00 1.30 -0.40 -0.55 2.04 -0.84 -1.11 117.51 117.94 3a6g h ILE 127 Ca -0.01 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.64 3a6g h ILE 127 Cb 1.57 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 39.18 3a6g h ILE 127 CO 0.12 0.39 0.16 0.58 0.00 0.00 0.00 178.15 179.39 3a6g h VAL 128 N 0.27 0.90 -0.46 1.67 2.07 -1.08 -0.33 116.25 119.30 3a6g h VAL 128 Ca 0.05 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 3a6g h VAL 128 Cb 0.67 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3a6g h VAL 128 CO 0.04 0.06 -0.06 -0.08 0.02 0.00 0.00 177.57 177.56 3a6g h GLU 129 N 0.33 0.80 -0.70 1.57 4.57 -1.15 -1.21 114.58 118.79 3a6g h GLU 129 Ca 0.18 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 3a6g h GLU 129 Cb 0.15 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3a6g h GLU 129 CO -0.17 0.85 0.39 0.78 -1.18 0.00 0.00 179.01 179.68 3a6g h GLY 130 N 0.98 1.04 0.89 1.92 0.00 -0.51 -0.88 103.07 106.51 3a6g h GLY 130 Ca 0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3a6g h GLY 130 CO 0.03 0.45 0.08 -2.22 0.00 0.00 0.00 176.54 174.88 3a6g h ILE 131 N 0.97 1.17 -0.52 2.60 2.04 -0.72 -1.67 117.51 121.37 3a6g h ILE 131 Ca 0.25 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3a6g h ILE 131 Cb 0.03 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3a6g h ILE 131 CO -0.04 0.17 0.24 -0.78 0.00 0.00 0.00 178.15 177.74 3a6g h ASP 132 N 0.20 0.69 -0.34 1.72 3.58 -0.98 0.71 116.42 122.00 3a6g h ASP 132 Ca 0.07 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 3a6g h ASP 132 Cb 0.18 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3a6g h ASP 132 CO -0.01 0.63 -0.03 -0.07 -2.88 0.00 0.00 179.24 176.89 3a6g h LEU 133 N 0.69 0.69 -0.15 2.28 3.38 -1.12 -0.91 115.31 120.17 3a6g h LEU 133 Ca 0.18 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3a6g h LEU 133 Cb 0.13 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3a6g h LEU 133 CO -0.02 0.78 -0.11 0.00 0.09 0.00 0.00 178.44 179.18 3a6g h ALA 134 N 1.30 0.22 -0.41 1.53 0.00 -0.95 -2.58 119.26 118.37 3a6g h ALA 134 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3a6g h ALA 134 Cb 0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3a6g h ALA 134 CO 0.02 0.06 0.12 -0.07 0.00 0.00 0.00 179.25 179.38 3a6g h LEU 135 N -0.01 0.54 -0.30 0.00 3.38 -0.69 -0.47 115.31 117.76 3a6g h LEU 135 Ca 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3a6g h LEU 135 Cb 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3a6g h LEU 135 CO 0.03 0.52 0.19 -0.09 0.09 0.00 0.00 178.44 179.18 3a6g h ARG 136 N 0.58 0.40 -0.65 1.13 2.43 -1.08 -2.02 114.38 115.17 3a6g h ARG 136 Ca 0.14 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3a6g h ARG 136 Cb 0.19 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 3a6g h ARG 136 CO -0.01 0.29 0.17 0.93 -1.51 0.00 0.00 179.97 179.84 3a6g h GLU 137 N 0.39 1.02 -0.75 0.20 5.08 -0.97 -2.66 114.58 116.90 3a6g h GLU 137 Ca 0.11 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3a6g h GLU 137 Cb -0.02 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3a6g h GLU 137 CO -0.02 0.91 0.50 -0.07 -1.00 0.00 0.00 179.01 179.33 3a6g h LEU 138 N 0.95 0.83 -0.88 1.33 3.38 -0.86 -1.15 115.31 118.91 3a6g h LEU 138 Ca 0.20 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3a6g h LEU 138 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3a6g h LEU 138 CO -0.00 0.58 0.35 -0.09 0.09 0.00 0.00 178.44 179.38 3a6g h ARG 139 N 0.97 1.17 0.00 1.13 2.43 -1.03 0.38 114.38 119.43 3a6g h ARG 139 Ca 0.29 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3a6g h ARG 139 Cb -0.04 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3a6g h ARG 139 CO -0.07 0.92 -0.18 1.88 -1.51 0.00 0.00 179.97 181.01 3a6g h TYR 140 N 1.15 0.00 -0.02 2.20 0.05 -0.98 -1.10 116.97 118.28 3a6g h TYR 140 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.05 3a6g h TYR 140 Cb 0.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3a6g h TYR 140 CO 0.02 0.18 0.00 0.00 -1.05 0.00 0.00 178.16 177.31 3a6g n ALA 141 N -2.29 2.59 -0.65 3.88 0.00 -0.45 -4.91 120.51 118.67 3a6g n ALA 141 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3a6g n ALA 141 Cb 0.31 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 1.15 0.60 3.30 0.00 0.00 -0.41 -5.06 105.19 104.76 3a6g n GLY 142 Ca 0.20 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 3.39 -0.02 -0.61 1.01 0.12 -4.94 121.20 118.16 3a6g s ILE 143 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3a6g s ILE 143 Cb 0.00 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.90 3a6g s ILE 143 CO 0.00 0.32 0.86 0.00 0.00 0.00 0.00 174.94 176.11 3a6g n GLN 144 N 4.79 1.30 -0.40 2.79 6.02 -1.26 -2.83 117.38 127.79 3a6g n GLN 144 Ca -0.17 -1.27 0.08 0.00 -0.01 0.00 0.00 57.00 55.63 3a6g n GLN 144 Cb 0.50 -0.84 0.24 0.00 1.02 0.00 0.00 30.24 31.15 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 -0.41 3.72 -4.67 1.08 5.75 -1.26 -4.96 116.55 115.80 3a6g n ASP 145 Ca 0.03 -2.75 -0.40 0.00 -0.01 0.00 0.00 54.79 51.66 3a6g n ASP 145 Cb 0.46 -0.47 -0.05 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 -2.35 3.42 -0.06 2.11 2.19 -1.26 -4.86 117.98 117.17 3a6g s PHE 146 Ca 0.38 1.01 0.05 0.00 0.33 0.00 0.00 56.93 58.71 3a6g s PHE 146 Cb 0.29 -2.81 -0.01 0.00 -1.31 0.00 0.00 43.02 39.18 3a6g s PHE 146 CO 0.11 -0.12 -0.23 0.21 1.83 0.00 0.00 175.22 177.03 3a6g s LYS 147 N 1.67 2.61 -0.03 10.12 2.20 0.26 -5.02 119.74 131.54 3a6g s LYS 147 Ca 0.31 -0.86 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 3a6g s LYS 147 Cb -0.16 -2.23 -0.01 0.00 -1.51 0.00 0.00 37.83 33.92 3a6g s LYS 147 CO 0.12 0.40 -0.22 0.08 -0.36 0.00 0.00 175.35 175.38 3a6g s VAL 148 N -0.20 1.74 -0.10 4.02 1.01 -1.26 -1.86 120.40 123.74 3a6g s VAL 148 Ca -0.02 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.08 3a6g s VAL 148 Cb -0.13 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 3a6g s VAL 148 CO 0.03 0.49 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 3a6g s VAL 149 N -0.29 2.22 -0.08 2.92 1.01 0.27 -5.00 120.40 121.45 3a6g s VAL 149 Ca 0.02 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3a6g s VAL 149 Cb -0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3a6g s VAL 149 CO 0.01 0.56 -0.23 0.54 0.00 0.00 0.00 175.10 175.98 3a6g s VAL 150 N 0.30 1.95 0.31 2.92 0.11 -1.26 -0.19 120.40 124.53 3a6g s VAL 150 Ca -0.16 -0.97 -0.12 0.00 -2.93 0.00 0.00 61.98 57.79 3a6g s VAL 150 Cb -0.17 -1.68 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 3a6g s VAL 150 CO 0.08 0.54 0.59 -1.48 -3.33 0.00 0.00 175.10 171.50 3a6g s LEU 151 N 0.20 0.31 -0.03 2.54 0.05 -0.53 -4.97 118.68 116.25 3a6g s LEU 151 Ca -0.13 -1.06 0.01 0.00 0.05 0.00 0.00 54.13 53.00 3a6g s LEU 151 Cb -0.16 2.12 0.02 0.00 -2.05 0.00 0.00 46.19 46.11 3a6g s LEU 151 CO 0.07 -1.34 -0.03 -0.55 -0.55 0.00 0.00 176.35 173.94 3a6g s SER 152 N -3.07 0.66 0.65 1.48 0.15 -1.26 -1.01 113.70 111.30 3a6g s SER 152 Ca 0.21 -0.08 0.37 0.00 0.70 0.00 0.00 55.95 57.14 3a6g s SER 152 Cb -0.03 -0.27 2.03 0.00 -1.71 0.00 0.00 66.02 66.04 3a6g s SER 152 CO 0.12 -0.04 2.19 0.10 1.20 0.00 0.00 173.24 176.81 3a6g h TYR 153 N 6.90 0.00 -0.77 3.44 -0.00 -1.97 -1.42 116.97 123.14 3a6g h TYR 153 Ca -0.37 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.38 3a6g h TYR 153 Cb 1.16 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.84 3a6g h TYR 153 CO 0.48 0.00 0.49 0.74 -0.00 0.00 0.00 178.16 179.87 3a6g h PHE 154 N 0.00 0.93 0.00 0.10 0.04 -1.95 -2.35 116.94 113.70 3a6g h PHE 154 Ca 0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3a6g h PHE 154 Cb 0.28 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.12 3a6g h PHE 154 CO 0.00 0.54 0.00 -0.25 -0.60 0.00 0.00 178.31 178.00 3a6g n ASP 155 N -4.60 0.00 -1.03 2.17 8.00 -0.53 -2.65 116.55 117.91 3a6g n ASP 155 Ca 0.09 -0.06 0.12 0.00 0.71 0.00 0.00 54.79 55.65 3a6g n ASP 155 Cb 0.08 -0.22 0.15 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.22 0.19 -3.54 1.24 3.01 -0.89 -4.67 117.46 111.59 3a6g n PHE 156 Ca 0.08 -0.10 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 3a6g n PHE 156 Cb 0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.51 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 -1.81 4.60 0.00 -4.37 1.01 -1.08 -4.67 120.40 114.08 3a6g s VAL 157 Ca 0.32 -2.83 0.00 0.00 0.00 0.00 0.00 61.98 59.47 3a6g s VAL 157 Cb 0.21 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3a6g s VAL 157 CO 0.31 -0.96 0.00 0.29 0.00 0.00 0.00 175.10 174.74 3a6g n LYS 158 N 3.59 1.22 -1.67 2.72 5.02 -1.26 -4.96 118.16 122.82 3a6g n LYS 158 Ca 0.12 0.00 -0.61 0.00 -2.02 0.00 0.00 58.31 55.80 3a6g n LYS 158 Cb 0.42 -0.91 -0.09 0.00 -0.02 0.00 0.00 35.03 34.43 3a6g n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3a6g n ASP 159 N -2.10 1.84 -0.31 4.39 2.03 -1.26 -4.76 116.55 116.37 3a6g n ASP 159 Ca 0.00 1.04 0.19 0.00 0.52 0.00 0.00 54.79 56.54 3a6g n ASP 159 Cb 0.41 -1.04 0.46 0.00 -0.72 0.00 0.00 41.12 40.23 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 6.97 0.48 -0.86 -0.67 0.11 -1.98 0.10 132.00 136.15 3a6g h PRO 160 Ca -0.41 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.70 3a6g h PRO 160 Cb 1.34 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3a6g h PRO 160 CO 0.98 0.32 0.57 0.00 -0.21 0.00 0.00 178.00 179.66 3a6g h ALA 161 N 1.63 1.47 -0.01 -0.75 0.00 -2.00 0.13 119.26 119.73 3a6g h ALA 161 Ca 0.57 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.34 3a6g h ALA 161 Cb 1.28 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3a6g h ALA 161 CO -0.30 0.45 -0.39 0.28 0.00 0.00 0.00 179.25 179.29 3a6g h VAL 162 N 1.07 1.49 -0.09 0.00 2.07 -1.18 -3.06 116.25 116.54 3a6g h VAL 162 Ca 0.34 -1.97 0.03 0.00 0.82 0.00 0.00 66.70 65.92 3a6g h VAL 162 Cb 0.03 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3a6g h VAL 162 CO -0.10 0.55 0.08 0.40 0.02 0.00 0.00 177.57 178.52 3a6g h ILE 163 N -0.31 0.71 0.21 4.57 1.08 -0.96 -1.81 117.51 121.00 3a6g h ILE 163 Ca -0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 3a6g h ILE 163 Cb 1.11 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3a6g h ILE 163 CO 0.08 0.00 -0.10 -0.61 -0.69 0.00 0.00 178.15 176.83 3a6g h GLN 164 N 0.00 -0.27 0.00 2.37 5.75 -0.70 -0.81 115.11 121.45 3a6g h GLN 164 Ca 0.04 0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3a6g h GLN 164 Cb 0.21 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3a6g h GLN 164 CO -0.00 0.05 -0.19 1.96 -2.65 0.00 0.00 178.83 178.00 3a6g h GLN 165 N -0.62 0.00 0.16 1.69 4.20 -1.33 -2.02 115.11 117.18 3a6g h GLN 165 Ca -0.03 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.45 3a6g h GLN 165 Cb 0.45 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.26 3a6g h GLN 165 CO 0.05 0.19 -0.98 -0.07 -0.67 0.00 0.00 178.83 177.35 3a6g h LEU 166 N 0.00 0.59 -6.15 1.46 3.38 -1.29 -3.40 115.31 109.90 3a6g h LEU 166 Ca -0.00 -0.92 -0.59 0.00 0.09 0.00 0.00 57.88 56.46 3a6g h LEU 166 Cb 0.43 -0.19 -0.41 0.00 0.09 0.00 0.00 40.66 40.58 3a6g h LEU 166 CO 0.03 1.47 -0.76 -1.22 0.09 0.00 0.00 178.44 178.04 3a6g n TYR 167 N -4.02 2.31 0.22 1.13 4.01 -0.32 -4.92 117.16 115.57 3a6g n TYR 167 Ca -0.14 -3.96 0.12 0.00 -0.16 0.00 0.00 57.90 53.76 3a6g n TYR 167 Cb 0.89 -0.49 0.62 0.00 -0.31 0.00 0.00 39.34 40.06 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 4.16 0.00 -0.38 -0.72 0.13 -1.58 -0.95 132.00 132.65 3a6g h PRO 168 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3a6g h PRO 168 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3a6g h PRO 168 CO 0.71 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.87 3a6g n GLU 169 N -2.33 2.43 0.00 0.86 4.71 -1.26 -5.04 120.64 120.01 3a6g n GLU 169 Ca -0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 57.16 54.91 3a6g n GLU 169 Cb 0.07 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.02 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 1.38 3.67 3.70 0.62 0.00 -0.36 -5.11 105.19 109.10 3a6g n GLY 170 Ca 0.18 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.99 3.18 -0.00 1.61 5.36 -1.26 -4.83 117.98 121.05 3a6g s PHE 171 Ca 0.00 0.20 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 3a6g s PHE 171 Cb 0.00 -1.78 -0.01 0.00 -0.34 0.00 0.00 43.02 40.89 3a6g s PHE 171 CO 0.00 0.48 0.02 1.28 -1.46 0.00 0.00 175.22 175.54 3a6g n LEU 172 N 2.00 0.00 0.00 6.12 4.77 -1.26 -5.14 117.00 123.49 3a6g n LEU 172 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3a6g n LEU 172 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3a6g n LEU 172 CO 0.29 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3a6g n GLY 173 N 2.50 2.93 0.20 -0.72 0.00 -1.26 -4.84 105.19 104.00 3a6g n GLY 173 Ca -0.00 -1.97 0.13 0.00 0.00 0.00 0.00 46.02 44.18 3a6g n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a6g h TRP 174 N 0.00 0.00 -0.70 1.61 -0.00 -2.00 -3.33 115.95 111.53 3a6g h TRP 174 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 58.89 59.09 3a6g h TRP 174 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.13 3a6g h TRP 174 CO 0.00 0.00 0.67 0.38 -0.00 0.00 0.00 178.44 179.49 3a6g h ASP 175 N 0.00 0.00 -0.06 -3.49 2.03 -1.96 -0.78 116.42 112.16 3a6g h ASP 175 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3a6g h ASP 175 Cb 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 3a6g h ASP 175 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.21 3a6g n ILE 176 N -3.77 1.31 0.81 4.15 0.13 -1.25 -4.75 119.36 115.99 3a6g n ILE 176 Ca 0.14 -1.38 0.10 0.00 -1.10 0.00 0.00 62.75 60.51 3a6g n ILE 176 Cb 0.92 0.26 0.46 0.00 -0.84 0.00 0.00 39.64 40.44 3a6g n ILE 176 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3a6g n GLU 177 N -0.61 0.13 -1.54 9.51 -0.58 -0.30 -3.08 120.64 124.18 3a6g n GLU 177 Ca 0.07 0.13 -0.48 0.00 -0.42 0.00 0.00 57.16 56.46 3a6g n GLU 177 Cb 0.41 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.73 3a6g n GLU 177 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3a6g n HIS 178 N -1.41 1.84 -1.03 -0.32 -0.00 -1.26 -0.18 115.22 112.86 3a6g n HIS 178 Ca 0.07 0.09 -0.01 0.00 -0.00 0.00 0.00 57.72 57.87 3a6g n HIS 178 Cb 0.20 -2.62 -0.00 0.00 -0.00 0.00 0.00 29.99 27.56 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 5.95 0.44 0.00 1.57 0.00 -1.26 -1.73 105.19 110.15 3a6g n GLY 179 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.03 1.03 0.24 -0.02 0.00 0.74 -4.40 105.19 100.76 3a6g n GLY 180 Ca -0.01 -1.80 -0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 0.81 0.75 1.61 2.07 -1.82 -2.10 116.25 117.57 3a6g h VAL 181 Ca 0.00 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3a6g h VAL 181 Cb 0.00 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3a6g h VAL 181 CO 0.00 0.08 -0.42 0.15 0.02 0.00 0.00 177.57 177.40 3a6g h PHE 182 N 0.46 -1.12 -0.48 1.57 3.04 -1.94 -0.23 116.94 118.24 3a6g h PHE 182 Ca 0.31 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.20 3a6g h PHE 182 Cb 0.34 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.22 3a6g h PHE 182 CO -0.15 -0.65 0.16 0.93 -2.02 0.00 0.00 178.31 176.59 3a6g h GLU 183 N -1.08 0.74 -0.88 1.11 5.08 -1.82 -2.45 114.58 115.27 3a6g h GLU 183 Ca -0.10 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 3a6g h GLU 183 Cb 0.85 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 3a6g h GLU 183 CO 0.13 0.69 0.46 1.15 -1.00 0.00 0.00 179.01 180.44 3a6g h THR 184 N 0.64 1.26 -0.64 1.13 2.02 -1.41 -0.63 112.91 115.28 3a6g h THR 184 Ca 0.16 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 3a6g h THR 184 Cb 0.25 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3a6g h THR 184 CO -0.01 0.30 0.20 0.28 0.37 0.00 0.00 175.52 176.66 3a6g h SER 185 N 1.25 0.94 -0.67 4.18 0.02 -0.87 -0.00 113.55 118.39 3a6g h SER 185 Ca 0.31 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3a6g h SER 185 Cb 0.06 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3a6g h SER 185 CO -0.05 0.90 0.22 -0.07 -1.14 0.00 0.00 176.83 176.69 3a6g h LEU 186 N 0.93 0.96 -0.87 5.07 3.38 -0.96 -2.46 115.31 121.35 3a6g h LEU 186 Ca 0.21 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3a6g h LEU 186 Cb 0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3a6g h LEU 186 CO -0.01 0.90 -0.09 0.24 0.09 0.00 0.00 178.44 179.58 3a6g h MET 187 N 0.96 0.74 -0.11 1.13 2.86 -0.80 -1.02 114.93 118.69 3a6g h MET 187 Ca 0.22 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3a6g h MET 187 Cb 0.28 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3a6g h MET 187 CO -0.01 0.81 -0.15 -0.07 1.06 0.00 0.00 176.91 178.55 3a6g h LEU 188 N 0.67 0.17 0.01 1.22 3.38 -0.67 0.71 115.31 120.81 3a6g h LEU 188 Ca 0.12 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 3a6g h LEU 188 Cb 0.55 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3a6g h LEU 188 CO 0.03 0.34 -1.28 0.00 0.09 0.00 0.00 178.44 177.62 3a6g h ALA 189 N 1.68 0.49 0.00 1.53 0.00 -1.06 -3.35 119.26 118.55 3a6g h ALA 189 Ca 0.03 -1.12 -0.35 0.00 0.00 0.00 0.00 54.91 53.48 3a6g h ALA 189 Cb 0.38 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3a6g h ALA 189 CO 0.02 1.36 -2.29 1.28 0.00 0.00 0.00 179.25 179.62 3a6g n LEU 190 N -3.25 2.75 -3.19 0.00 4.77 -0.42 -4.84 117.00 112.82 3a6g n LEU 190 Ca -0.07 -0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 3a6g n LEU 190 Cb 0.99 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 3a6g n LEU 190 CO 0.47 0.81 -0.20 -1.22 -1.33 0.00 0.00 177.39 175.92 3a6g n TYR 191 N -3.32 0.61 -0.26 -1.77 4.01 0.25 -4.97 117.16 111.70 3a6g n TYR 191 Ca -0.41 -3.76 0.17 0.00 -0.16 0.00 0.00 57.90 53.74 3a6g n TYR 191 Cb 0.91 -0.41 0.46 0.00 -0.31 0.00 0.00 39.34 39.99 3a6g n TYR 191 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3a6g h PRO 192 N 3.51 0.49 0.00 -0.72 0.11 -1.59 -1.21 132.00 132.59 3a6g h PRO 192 Ca 0.10 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3a6g h PRO 192 Cb 0.86 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3a6g h PRO 192 CO 0.54 0.33 0.00 -0.25 -0.21 0.00 0.00 178.00 178.41 3a6g n ASP 193 N -4.56 0.28 -1.38 -2.05 8.00 -1.26 -2.01 116.55 113.58 3a6g n ASP 193 Ca 0.19 0.58 0.09 0.00 0.71 0.00 0.00 54.79 56.36 3a6g n ASP 193 Cb 0.64 -0.63 0.32 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.82 4.48 -3.94 0.64 4.77 -0.46 -4.91 117.00 115.77 3a6g n LEU 194 Ca 0.02 -2.53 -0.18 0.00 -0.03 0.00 0.00 56.01 53.30 3a6g n LEU 194 Cb 0.17 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.57 3a6g n LEU 194 CO 0.15 0.77 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.88 3a6g s VAL 195 N -1.98 0.48 -0.47 4.08 1.01 -0.85 -3.16 120.40 119.51 3a6g s VAL 195 Ca 0.46 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3a6g s VAL 195 Cb 0.31 -0.45 0.15 0.00 0.00 0.00 0.00 36.38 36.39 3a6g s VAL 195 CO 0.20 0.17 0.30 -0.62 0.00 0.00 0.00 175.10 175.15 3a6g s ASP 196 N 0.29 3.23 0.63 3.32 -1.08 -0.52 -4.96 116.67 117.57 3a6g s ASP 196 Ca -0.03 -2.88 0.29 0.00 -0.52 0.00 0.00 52.55 49.41 3a6g s ASP 196 Cb -0.07 -0.91 1.58 0.00 -1.46 0.00 0.00 42.92 42.05 3a6g s ASP 196 CO -0.00 -0.22 1.93 0.25 0.52 0.00 0.00 175.17 177.65 3a6g h LEU 197 N 6.28 0.00 -1.07 -1.34 5.85 -1.96 -0.03 115.31 123.04 3a6g h LEU 197 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3a6g h LEU 197 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3a6g h LEU 197 CO 0.47 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 179.01 3a6g h ASP 198 N 0.00 0.00 0.27 1.25 3.32 -1.95 -2.24 116.42 117.07 3a6g h ASP 198 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3a6g h ASP 198 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 3a6g h ASP 198 CO -0.00 0.00 -0.48 0.54 -1.72 0.00 0.00 179.24 177.58 3a6g n ARG 199 N -2.46 0.45 -1.72 3.56 1.74 -0.03 -4.94 116.66 113.27 3a6g n ARG 199 Ca 0.01 -0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 56.37 3a6g n ARG 199 Cb 0.21 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 3a6g n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3a6g n VAL 200 N -1.02 1.20 -3.51 1.55 0.31 -0.85 -4.46 118.33 111.55 3a6g n VAL 200 Ca 0.08 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.69 3a6g n VAL 200 Cb 0.35 -1.75 -0.10 0.00 -0.91 0.00 0.00 33.84 31.43 3a6g n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3a6g s VAL 201 N -0.25 4.90 -1.23 2.52 1.01 -1.26 -5.00 120.40 121.09 3a6g s VAL 201 Ca 0.63 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 3a6g s VAL 201 Cb -0.55 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 3a6g s VAL 201 CO 0.52 -0.34 2.12 -0.67 0.00 0.00 0.00 175.10 176.72 3a6g n ASP 202 N 5.08 3.43 -4.96 3.32 2.03 -1.26 -4.69 116.55 119.50 3a6g n ASP 202 Ca -0.11 -2.79 -0.22 0.00 0.52 0.00 0.00 54.79 52.19 3a6g n ASP 202 Cb 0.46 -1.48 -0.01 0.00 -0.72 0.00 0.00 41.12 39.36 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 3.88 3.43 0.74 -0.67 -3.43 -1.26 -5.02 115.29 112.96 3a6g s HIS 203 Ca 0.51 0.10 -0.13 0.00 -0.80 0.00 0.00 55.06 54.74 3a6g s HIS 203 Cb 0.14 -1.74 0.04 0.00 -1.43 0.00 0.00 32.58 29.59 3a6g s HIS 203 CO -0.02 0.27 1.12 -2.14 -2.00 0.00 0.00 174.74 171.97 3a6g s PRO 204 N -4.13 2.29 0.33 -0.38 0.02 -1.26 -3.90 135.00 127.96 3a6g s PRO 204 Ca 0.37 1.40 -0.29 0.00 0.02 0.00 0.00 61.00 62.50 3a6g s PRO 204 Cb -0.09 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.43 3a6g s PRO 204 CO 0.32 -1.65 1.55 -0.35 -0.33 0.00 0.00 177.00 176.54 3a6g n PRO 205 N -3.06 2.69 -1.90 5.54 -0.04 -1.26 -4.80 135.00 132.18 3a6g n PRO 205 Ca 0.11 0.95 -0.40 0.00 -0.04 0.00 0.00 63.50 64.12 3a6g n PRO 205 Cb 0.52 -2.71 0.01 0.00 -0.04 0.00 0.00 33.50 31.28 3a6g n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3a6g s ALA 206 N -0.51 3.25 0.01 0.55 0.00 0.09 -5.02 121.76 120.13 3a6g s ALA 206 Ca 0.59 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.96 3a6g s ALA 206 Cb -0.49 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.07 3a6g s ALA 206 CO 0.56 -1.04 -0.12 0.95 0.00 0.00 0.00 175.76 176.11 3a6g s THR 207 N -1.23 0.93 0.12 0.00 -4.23 -1.26 -5.01 115.64 104.97 3a6g s THR 207 Ca 0.59 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 60.47 3a6g s THR 207 Cb -0.41 -0.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 3a6g s THR 207 CO 0.53 0.14 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.32 3a6g s PHE 208 N -0.49 1.08 0.88 3.99 0.40 -1.26 -5.05 117.98 117.52 3a6g s PHE 208 Ca 0.03 -0.85 -0.11 0.00 -0.60 0.00 0.00 56.93 55.39 3a6g s PHE 208 Cb -0.06 -0.58 0.12 0.00 0.51 0.00 0.00 43.02 43.01 3a6g s PHE 208 CO 0.00 -0.05 1.09 -1.25 0.70 0.00 0.00 175.22 175.71 3a6g s PRO 209 N -3.80 1.39 0.00 0.24 0.04 -1.26 -4.85 135.00 126.75 3a6g s PRO 209 Ca 0.15 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 3a6g s PRO 209 Cb 0.04 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 3a6g s PRO 209 CO -0.02 -2.18 1.81 -0.35 0.04 0.00 0.00 177.00 176.30 3a6g n PRO 210 N -3.86 0.92 -3.69 0.56 -0.04 -1.26 -4.78 135.00 122.86 3a6g n PRO 210 Ca 0.08 -0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 3a6g n PRO 210 Cb 0.55 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.82 -0.17 0.08 0.54 -0.85 -1.26 -5.18 117.35 111.33 3a6g s TYR 211 Ca 0.13 -0.08 0.08 0.00 -0.52 0.00 0.00 57.07 56.67 3a6g s TYR 211 Cb 0.06 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 3a6g s TYR 211 CO 0.00 -0.73 -0.15 -0.51 -1.52 0.00 0.00 175.55 172.64 3a6g s ASP 212 N -2.84 4.04 -0.02 -0.18 1.01 -1.26 -5.10 116.67 112.32 3a6g s ASP 212 Ca 0.11 -0.45 0.07 0.00 0.71 0.00 0.00 52.55 52.99 3a6g s ASP 212 Cb -0.01 -0.68 -0.02 0.00 1.01 0.00 0.00 42.92 43.23 3a6g s ASP 212 CO -0.01 0.21 -0.23 -0.69 0.21 0.00 0.00 175.17 174.66 3a6g s VAL 213 N -1.09 1.86 -0.01 -1.27 1.01 -1.26 -5.13 120.40 114.50 3a6g s VAL 213 Ca 0.18 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3a6g s VAL 213 Cb -0.11 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.74 3a6g s VAL 213 CO 0.09 0.52 -0.02 -0.36 0.00 0.00 0.00 175.10 175.33 3a6g s PHE 214 N -0.51 0.33 0.62 5.22 0.08 -1.26 -3.74 117.98 118.71 3a6g s PHE 214 Ca 0.08 -0.05 -0.19 0.00 0.12 0.00 0.00 56.93 56.89 3a6g s PHE 214 Cb -0.09 -0.28 -0.03 0.00 -0.57 0.00 0.00 43.02 42.04 3a6g s PHE 214 CO -0.01 -0.05 1.22 -2.30 -0.10 0.00 0.00 175.22 173.98 3a6g n PRO 215 N 3.38 1.15 -1.70 0.24 -0.02 -1.26 -5.08 135.00 131.72 3a6g n PRO 215 Ca -0.18 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 3a6g n PRO 215 Cb 0.56 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.72 1.21 -3.31 -1.45 3.14 -1.25 -4.95 118.33 110.01 3a6g n VAL 216 Ca 0.14 -0.30 -0.44 0.00 -2.96 0.00 0.00 64.34 60.78 3a6g n VAL 216 Cb 0.47 -1.63 -0.07 0.00 -1.06 0.00 0.00 33.84 31.54 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 0.21 6.18 0.53 6.55 -1.08 -1.26 -4.95 116.67 122.85 3a6g s ASP 217 Ca 0.64 -1.09 0.29 0.00 -0.52 0.00 0.00 52.55 51.87 3a6g s ASP 217 Cb -0.59 -2.22 1.45 0.00 -1.46 0.00 0.00 42.92 40.09 3a6g s ASP 217 CO 0.52 -0.71 1.93 -0.65 0.52 0.00 0.00 175.17 176.78 3a6g h PRO 218 N 8.83 0.01 0.00 4.34 0.11 -1.96 -1.42 132.00 141.91 3a6g h PRO 218 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a6g h PRO 218 Cb 1.11 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3a6g h PRO 218 CO 0.89 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 3a6g n ALA 219 N -2.69 1.48 1.35 -0.75 0.00 -1.26 -2.48 120.51 116.16 3a6g n ALA 219 Ca 0.16 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.85 3a6g n ALA 219 Cb 0.84 -1.37 0.41 0.00 0.00 0.00 0.00 19.45 19.33 3a6g n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a6g n ARG 220 N -2.25 1.47 -4.75 0.00 1.74 -0.53 -4.84 116.66 107.50 3a6g n ARG 220 Ca 0.01 -0.93 -0.33 0.00 -0.77 0.00 0.00 57.85 55.83 3a6g n ARG 220 Cb 0.17 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.17 3.32 0.29 0.55 2.01 -1.04 -4.94 115.64 113.67 3a6g s THR 221 Ca 0.32 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 3a6g s THR 221 Cb 0.20 -2.35 -0.13 0.00 0.01 0.00 0.00 72.50 70.23 3a6g s THR 221 CO 0.40 0.57 1.33 -2.65 -0.69 0.00 0.00 174.62 173.58 3a6g n PRO 222 N 2.64 2.04 -0.32 4.92 -0.02 -1.26 -4.85 135.00 138.14 3a6g n PRO 222 Ca -0.18 0.72 0.16 0.00 -2.02 0.00 0.00 63.50 62.18 3a6g n PRO 222 Cb 0.53 -2.32 0.33 0.00 -0.02 0.00 0.00 33.50 32.01 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 3.34 1.36 0.00 3.55 0.00 -1.90 -0.13 119.26 125.47 3a6g h ALA 223 Ca -0.45 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a6g h ALA 223 Cb 1.28 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3a6g h ALA 223 CO 0.69 -0.57 0.00 -1.35 0.00 0.00 0.00 179.25 178.02 3a6g h PRO 224 N 0.11 0.00 0.00 0.00 0.11 -1.98 -3.46 132.00 126.78 3a6g h PRO 224 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 3a6g h PRO 224 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3a6g h PRO 224 CO -0.76 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.44 3a6g n GLY 225 N -0.19 2.10 3.82 -0.55 0.00 -0.06 -3.62 105.19 106.69 3a6g n GLY 225 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.58 4.45 -0.46 2.61 -4.23 -1.26 -4.51 115.64 109.66 3a6g s THR 226 Ca 0.00 1.40 0.23 0.00 -1.18 0.00 0.00 61.69 62.14 3a6g s THR 226 Cb 0.00 -3.75 -0.09 0.00 1.34 0.00 0.00 72.50 70.00 3a6g s THR 226 CO 0.00 -0.08 1.01 0.18 -0.54 0.00 0.00 174.62 175.19 3a6g n LEU 227 N -0.04 0.62 -3.63 4.79 4.32 -0.71 -4.47 117.00 117.88 3a6g n LEU 227 Ca 0.03 0.10 -0.11 0.00 -0.02 0.00 0.00 56.01 56.01 3a6g n LEU 227 Cb 0.52 -0.09 -0.05 0.00 -1.62 0.00 0.00 43.42 42.19 3a6g n LEU 227 CO 0.41 -0.03 0.17 -0.94 -1.22 0.00 0.00 177.39 175.78 3a6g s SER 228 N -4.37 -0.25 0.19 -1.43 1.04 -1.18 -0.73 113.70 106.97 3a6g s SER 228 Ca 0.02 -0.27 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 3a6g s SER 228 Cb 0.13 0.47 -0.08 0.00 0.10 0.00 0.00 66.02 66.64 3a6g s SER 228 CO 0.80 -0.83 1.00 -0.55 0.98 0.00 0.00 173.24 174.63 3a6g s SER 229 N -2.71 7.48 -0.22 7.02 0.15 -1.25 -4.10 113.70 120.07 3a6g s SER 229 Ca 0.02 1.96 0.15 0.00 0.70 0.00 0.00 55.95 58.77 3a6g s SER 229 Cb 0.01 -2.60 0.75 0.00 -1.71 0.00 0.00 66.02 62.48 3a6g s SER 229 CO -0.11 -0.02 1.67 0.00 1.20 0.00 0.00 173.24 175.98 3a6g n ALA 230 N 2.07 3.68 -0.34 5.45 0.00 -1.26 -3.89 120.51 126.22 3a6g n ALA 230 Ca 0.00 -2.02 0.07 0.00 0.00 0.00 0.00 53.44 51.49 3a6g n ALA 230 Cb 0.47 -1.03 0.26 0.00 0.00 0.00 0.00 19.45 19.15 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 3.47 0.94 -0.49 0.00 3.64 -1.92 -1.21 116.57 121.00 3a6g h LYS 231 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3a6g h LYS 231 Cb 1.86 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 3a6g h LYS 231 CO 0.43 0.62 0.00 0.25 -2.27 0.00 0.00 179.45 178.48 3a6g n THR 232 N -4.59 0.67 -2.38 1.00 -2.24 -1.26 -4.93 114.28 100.56 3a6g n THR 232 Ca 0.18 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 3a6g n THR 232 Cb 0.34 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 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 -1.64 2.77 0.13 6.98 0.00 -0.46 -5.04 121.76 124.50 3a6g s ALA 233 Ca 0.22 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 52.71 3a6g s ALA 233 Cb 0.13 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.99 3a6g s ALA 233 CO 0.12 -0.58 0.51 -1.54 0.00 0.00 0.00 175.76 174.27 3a6g s SER 234 N -1.85 -0.41 0.34 0.00 1.04 -1.26 -4.94 113.70 106.61 3a6g s SER 234 Ca 0.70 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 57.07 3a6g s SER 234 Cb -0.21 0.53 0.60 0.00 0.10 0.00 0.00 66.02 67.05 3a6g s SER 234 CO 0.24 -0.88 1.91 -0.09 0.98 0.00 0.00 173.24 175.40 3a6g h ARG 235 N 2.28 0.63 -0.31 4.02 2.43 -1.85 -1.63 114.38 119.95 3a6g h ARG 235 Ca -0.33 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3a6g h ARG 235 Cb 1.27 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 3a6g h ARG 235 CO 0.42 0.56 0.10 0.93 -1.51 0.00 0.00 179.97 180.47 3a6g h GLU 236 N 0.62 0.48 -0.75 0.20 3.07 -1.96 -0.41 114.58 115.84 3a6g h GLU 236 Ca 0.15 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 3a6g h GLU 236 Cb 0.20 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 3a6g h GLU 236 CO -0.01 0.52 0.24 0.87 -1.40 0.00 0.00 179.01 179.24 3a6g h LYS 237 N 0.35 1.16 -0.67 2.33 1.57 -1.83 -2.12 116.57 117.36 3a6g h LYS 237 Ca 0.10 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3a6g h LYS 237 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3a6g h LYS 237 CO -0.00 0.98 0.40 0.78 -0.57 0.00 0.00 179.45 181.03 3a6g h GLY 238 N 1.11 0.97 1.47 3.86 0.00 -0.97 -0.45 103.07 109.06 3a6g h GLY 238 Ca 0.24 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3a6g h GLY 238 CO -0.01 0.39 0.02 0.83 0.00 0.00 0.00 176.54 177.77 3a6g h GLU 239 N 0.91 0.66 0.05 4.80 5.08 -0.81 -0.20 114.58 125.06 3a6g h GLU 239 Ca 0.24 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3a6g h GLU 239 Cb -0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3a6g h GLU 239 CO -0.04 0.66 -0.02 1.25 -1.00 0.00 0.00 179.01 179.86 3a6g h LEU 240 N 0.62 -0.05 -0.30 1.33 5.85 -0.81 -2.52 115.31 119.42 3a6g h LEU 240 Ca 0.13 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3a6g h LEU 240 Cb 0.36 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3a6g h LEU 240 CO 0.01 0.31 0.07 0.40 -0.34 0.00 0.00 178.44 178.89 3a6g h ILE 241 N -0.42 0.87 -0.19 4.05 2.04 -0.90 -1.91 117.51 121.05 3a6g h ILE 241 Ca -0.01 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.83 3a6g h ILE 241 Cb 0.38 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3a6g h ILE 241 CO 0.01 0.03 -0.08 0.25 0.00 0.00 0.00 178.15 178.37 3a6g h LEU 242 N 0.19 -0.26 -0.76 1.44 5.85 -1.04 -0.24 115.31 120.49 3a6g h LEU 242 Ca 0.14 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3a6g h LEU 242 Cb 0.14 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3a6g h LEU 242 CO -0.18 -0.10 0.06 -0.08 -0.34 0.00 0.00 178.44 177.81 3a6g h GLU 243 N -0.04 1.01 -0.23 1.25 4.57 -1.29 -0.27 114.58 119.57 3a6g h GLU 243 Ca 0.10 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 3a6g h GLU 243 Cb 0.20 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3a6g h GLU 243 CO -0.23 0.95 0.09 0.28 -1.18 0.00 0.00 179.01 178.92 3a6g h VAL 244 N 0.94 1.17 -0.35 0.32 2.07 -1.00 -2.36 116.25 117.04 3a6g h VAL 244 Ca 0.18 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3a6g h VAL 244 Cb 0.46 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3a6g h VAL 244 CO 0.02 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.79 3a6g h VAL 246 N 0.42 0.66 -0.03 0.00 2.07 -1.00 0.70 116.25 119.07 3a6g h VAL 246 Ca 0.10 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.50 3a6g h VAL 246 Cb 0.44 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3a6g h VAL 246 CO 0.02 0.00 -0.52 1.56 0.02 0.00 0.00 177.57 178.65 3a6g h GLN 247 N -0.36 0.08 -0.06 1.57 1.08 -1.48 0.01 115.11 115.95 3a6g h GLN 247 Ca -0.01 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3a6g h GLN 247 Cb 0.32 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3a6g h GLN 247 CO -0.01 0.58 0.01 0.78 -0.95 0.00 0.00 178.83 179.24 3a6g h GLY 248 N 1.49 0.11 1.18 3.46 0.00 -1.10 -1.32 103.07 106.89 3a6g h GLY 248 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 47.33 47.14 3a6g h GLY 248 CO 0.07 0.07 -0.17 -2.22 0.00 0.00 0.00 176.54 174.28 3a6g h ILE 249 N -0.15 1.27 -0.44 2.60 2.04 -0.80 -1.93 117.51 120.10 3a6g h ILE 249 Ca 0.02 -1.32 0.01 0.00 1.00 0.00 0.00 64.86 64.57 3a6g h ILE 249 Cb 0.28 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3a6g h ILE 249 CO 0.00 0.46 0.27 0.00 0.00 0.00 0.00 178.15 178.88 3a6g h ALA 250 N 0.96 0.55 -0.29 1.87 0.00 -0.92 -0.94 119.26 120.50 3a6g h ALA 250 Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3a6g h ALA 250 Cb 0.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3a6g h ALA 250 CO 0.06 -0.04 -0.29 -0.44 0.00 0.00 0.00 179.25 178.53 3a6g h ASP 251 N 0.54 0.60 -0.53 0.00 3.32 -1.12 -1.83 116.42 117.40 3a6g h ASP 251 Ca 0.17 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 3a6g h ASP 251 Cb -0.01 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3a6g h ASP 251 CO -0.07 0.86 0.14 0.00 -1.72 0.00 0.00 179.24 178.46 3a6g h ALA 252 N 1.18 0.69 -0.58 3.45 0.00 -0.97 -1.82 119.26 121.21 3a6g h ALA 252 Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3a6g h ALA 252 Cb 0.76 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3a6g h ALA 252 CO 0.06 0.37 0.07 0.82 0.00 0.00 0.00 179.25 180.57 3a6g h ILE 253 N 0.73 1.26 -1.00 0.00 2.04 -1.02 -0.99 117.51 118.52 3a6g h ILE 253 Ca 0.17 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3a6g h ILE 253 Cb 0.31 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3a6g h ILE 253 CO -0.00 0.37 0.66 0.03 0.00 0.00 0.00 178.15 179.21 3a6g h ARG 254 N 0.88 1.27 -0.36 2.37 3.08 -1.12 0.20 114.38 120.70 3a6g h ARG 254 Ca 0.17 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 3a6g h ARG 254 Cb 0.46 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3a6g h ARG 254 CO 0.02 0.84 -0.38 1.49 -1.07 0.00 0.00 179.97 180.87 3a6g h GLU 255 N 1.31 0.90 0.00 0.04 4.81 -0.95 -3.20 114.58 117.49 3a6g h GLU 255 Ca 0.38 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 3a6g h GLU 255 Cb -0.08 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3a6g h GLU 255 CO -0.10 1.13 -0.42 0.93 -0.73 0.00 0.00 179.01 179.82 3a6g h GLU 256 N 0.70 0.00 -2.13 1.92 4.39 -0.82 -3.38 114.58 115.26 3a6g h GLU 256 Ca 0.06 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.17 3a6g h GLU 256 Cb 0.97 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.21 3a6g h GLU 256 CO 0.09 0.35 -0.78 1.19 -1.16 0.00 0.00 179.01 178.70 3a6g n PHE 257 N -3.17 2.33 -2.21 4.33 3.72 0.66 -5.08 117.46 118.04 3a6g n PHE 257 Ca 0.02 -3.95 -0.32 0.00 -0.05 0.00 0.00 57.45 53.15 3a6g n PHE 257 Cb 0.68 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 3a6g n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3a6g s PRO 258 N -2.20 3.63 0.00 -1.08 0.04 -1.21 -4.76 135.00 129.42 3a6g s PRO 258 Ca 0.39 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3a6g s PRO 258 Cb 0.18 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3a6g s PRO 258 CO -0.06 -0.54 0.45 -2.30 0.04 0.00 0.00 177.00 174.60