#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6g n VAL 5 N 0.00 0.07 -3.11 2.46 0.24 -1.26 -4.79 118.33 111.94 3a6g n VAL 5 Ca 0.00 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 61.84 3a6g n VAL 5 Cb 0.00 0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 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 -3.03 3.28 0.28 6.34 0.40 -1.26 0.12 117.98 124.11 3a6g s PHE 6 Ca 0.11 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.27 3a6g s PHE 6 Cb 0.17 -2.84 0.57 0.00 0.51 0.00 0.00 43.02 41.43 3a6g s PHE 6 CO 0.67 -0.32 1.82 0.28 0.70 0.00 0.00 175.22 178.37 3a6g h VAL 7 N 5.41 0.88 -0.12 -0.44 2.07 -1.09 -1.21 116.25 121.74 3a6g h VAL 7 Ca -0.27 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 66.97 3a6g h VAL 7 Cb 1.12 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 3a6g h VAL 7 CO 0.77 0.17 0.10 1.23 0.02 0.00 0.00 177.57 179.86 3a6g h GLY 8 N 0.93 0.00 -0.73 2.17 0.00 -1.93 -1.44 103.07 102.07 3a6g h GLY 8 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3a6g h GLY 8 CO -0.29 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.43 3a6g n GLU 9 N -4.24 1.78 -3.62 4.80 1.02 -0.46 -4.91 120.64 115.00 3a6g n GLU 9 Ca -0.00 -1.13 -0.29 0.00 -0.02 0.00 0.00 57.16 55.72 3a6g n GLU 9 Cb 0.22 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.94 4.21 0.64 -4.62 1.43 -0.54 -4.88 118.68 112.98 3a6g s LEU 10 Ca 0.36 0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 53.88 3a6g s LEU 10 Cb 0.20 -3.28 -0.00 0.00 0.03 0.00 0.00 46.19 43.15 3a6g s LEU 10 CO 0.32 -0.04 1.01 0.42 0.23 0.00 0.00 176.35 178.28 3a6g s THR 11 N -1.85 3.86 0.41 5.49 -4.23 -1.26 -4.90 115.64 113.17 3a6g s THR 11 Ca 0.40 0.40 0.31 0.00 -1.18 0.00 0.00 61.69 61.61 3a6g s THR 11 Cb -0.11 -3.57 0.33 0.00 1.34 0.00 0.00 72.50 70.49 3a6g s THR 11 CO 0.28 -0.69 2.11 4.11 -0.54 0.00 0.00 174.62 179.88 3a6g h TRP 12 N -0.39 0.00 -0.11 3.99 5.08 -1.99 -2.11 115.95 120.42 3a6g h TRP 12 Ca -0.45 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.30 3a6g h TRP 12 Cb 1.24 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.41 3a6g h TRP 12 CO 0.53 0.08 -0.81 0.87 -1.28 0.00 0.00 178.44 177.83 3a6g h LYS 13 N 0.00 0.67 -0.67 0.12 1.79 -1.98 0.72 116.57 117.22 3a6g h LYS 13 Ca -0.00 -0.58 -0.06 0.00 -2.18 0.00 0.00 60.65 57.83 3a6g h LYS 13 Cb 0.30 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 3a6g h LYS 13 CO 0.01 1.19 0.19 0.93 -1.08 0.00 0.00 179.45 180.69 3a6g h GLU 14 N 0.45 1.06 -0.01 3.15 5.08 -1.78 0.26 114.58 122.80 3a6g h GLU 14 Ca -0.06 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3a6g h GLU 14 Cb 1.43 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 3a6g h GLU 14 CO 0.16 0.93 0.00 -0.92 -1.00 0.00 0.00 179.01 178.18 3a6g h TYR 15 N 0.99 0.01 -0.69 4.33 3.20 -1.33 -2.46 116.97 121.02 3a6g h TYR 15 Ca 0.21 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.15 3a6g h TYR 15 Cb 0.33 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.54 3a6g h TYR 15 CO 0.03 0.31 0.39 1.49 -1.64 0.00 0.00 178.16 178.73 3a6g h GLU 16 N -0.29 0.68 -0.79 1.82 4.81 -0.69 -1.53 114.58 118.60 3a6g h GLU 16 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3a6g h GLU 16 Cb 0.30 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3a6g h GLU 16 CO 0.00 0.45 0.51 0.00 -0.73 0.00 0.00 179.01 179.24 3a6g h ALA 17 N 1.36 1.02 -0.28 2.92 0.00 -0.85 0.01 119.26 123.44 3a6g h ALA 17 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3a6g h ALA 17 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3a6g h ALA 17 CO -0.19 0.35 -0.02 0.00 0.00 0.00 0.00 179.25 179.38 3a6g h ARG 18 N 1.01 0.51 -0.25 0.00 2.47 -0.89 -3.04 114.38 114.19 3a6g h ARG 18 Ca 0.31 -0.18 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 3a6g h ARG 18 Cb -0.03 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 3a6g h ARG 18 CO -0.10 0.69 -0.18 0.28 0.56 0.00 0.00 179.97 181.22 3a6g h VAL 19 N 0.28 1.24 0.00 2.04 2.07 -1.08 -2.22 116.25 118.58 3a6g h VAL 19 Ca 0.08 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.50 3a6g h VAL 19 Cb 0.47 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3a6g h VAL 19 CO 0.02 0.35 0.00 0.00 0.02 0.00 0.00 177.57 177.96 3a6g n ALA 20 N -2.48 1.21 -0.04 1.67 0.00 -0.03 -1.74 120.51 119.10 3a6g n ALA 20 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3a6g n ALA 20 Cb 0.35 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.84 3a6g n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a6g h ALA 21 N 2.03 0.71 0.00 0.00 0.00 -1.45 -3.48 119.26 117.07 3a6g h ALA 21 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a6g h ALA 21 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a6g h ALA 21 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 3a6g n GLY 22 N 0.12 2.72 1.61 0.00 0.00 -0.71 -4.89 105.19 104.04 3a6g n GLY 22 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 1.09 -4.75 1.61 5.68 -1.26 -4.95 116.55 113.98 3a6g n ASP 23 Ca 0.00 -2.07 -0.41 0.00 -0.50 0.00 0.00 54.79 51.81 3a6g n ASP 23 Cb 0.00 -0.33 -0.03 0.00 -1.14 0.00 0.00 41.12 39.63 3a6g n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a6g s VAL 25 N -0.40 4.60 -0.01 0.00 1.01 -1.26 -4.19 120.40 120.15 3a6g s VAL 25 Ca 0.54 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.45 3a6g s VAL 25 Cb -0.39 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 3a6g s VAL 25 CO 0.44 0.42 -0.03 -0.76 0.00 0.00 0.00 175.10 175.17 3a6g s LEU 26 N 0.75 3.34 -0.03 3.92 1.43 -0.66 -1.45 118.68 125.97 3a6g s LEU 26 Ca 0.03 -0.07 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 3a6g s LEU 26 Cb -0.13 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3a6g s LEU 26 CO 0.02 0.29 -0.20 -0.04 0.23 0.00 0.00 176.35 176.65 3a6g s MET 27 N -1.43 1.82 -0.22 1.70 -1.94 0.39 -0.02 119.30 119.60 3a6g s MET 27 Ca 0.18 -0.71 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3a6g s MET 27 Cb -0.11 -1.66 0.05 0.00 2.01 0.00 0.00 34.83 35.12 3a6g s MET 27 CO 0.08 0.36 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.22 3a6g s LEU 28 N -0.26 2.44 0.16 -0.03 2.96 0.16 -0.25 118.68 123.86 3a6g s LEU 28 Ca 0.02 -1.07 -0.30 0.00 -0.22 0.00 0.00 54.13 52.56 3a6g s LEU 28 Cb -0.10 -1.18 -0.07 0.00 0.50 0.00 0.00 46.19 45.34 3a6g s LEU 28 CO 0.01 -0.21 1.08 -2.84 -1.32 0.00 0.00 176.35 173.07 3a6g s PRO 29 N 1.41 4.61 -0.17 0.98 0.02 -1.26 -1.13 135.00 139.45 3a6g s PRO 29 Ca -0.04 1.67 0.00 0.00 0.02 0.00 0.00 61.00 62.65 3a6g s PRO 29 Cb -0.18 -3.30 0.04 0.00 0.02 0.00 0.00 34.50 31.08 3a6g s PRO 29 CO -0.07 0.08 -0.08 0.08 -0.33 0.00 0.00 177.00 176.68 3a6g s VAL 30 N -0.12 1.35 0.00 3.83 1.01 -0.27 -1.00 120.40 125.20 3a6g s VAL 30 Ca 0.49 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3a6g s VAL 30 Cb -0.28 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3a6g s VAL 30 CO 0.34 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3a6g n GLY 31 N 4.80 4.22 3.61 4.51 0.00 -0.40 -0.51 105.19 121.42 3a6g n GLY 31 Ca -0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.18 -0.37 4.61 0.00 -1.23 -3.07 121.76 117.52 3a6g s ALA 32 Ca 0.00 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.09 3a6g s ALA 32 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.29 3a6g s ALA 32 CO 0.00 -0.83 0.15 -1.17 0.00 0.00 0.00 175.76 173.91 3a6g s LEU 33 N -2.58 4.73 -0.06 0.00 2.96 -1.16 -4.22 118.68 118.35 3a6g s LEU 33 Ca 0.12 -1.59 -0.08 0.00 -0.22 0.00 0.00 54.13 52.36 3a6g s LEU 33 Cb 0.02 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.89 3a6g s LEU 33 CO -0.04 -0.43 0.21 -0.70 -1.32 0.00 0.00 176.35 174.06 3a6g s GLU 34 N 1.27 0.33 0.39 1.98 2.12 -0.42 -1.35 118.70 123.00 3a6g s GLU 34 Ca 0.02 0.13 -0.27 0.00 0.36 0.00 0.00 54.97 55.21 3a6g s GLU 34 Cb -0.22 0.15 -0.11 0.00 0.26 0.00 0.00 34.13 34.22 3a6g s GLU 34 CO -0.01 -0.06 1.32 0.00 -0.54 0.00 0.00 175.26 175.97 3a6g n GLN 35 N 2.55 2.15 -2.63 4.30 -0.00 -1.26 -4.37 117.38 118.12 3a6g n GLN 35 Ca -0.15 0.76 -0.14 0.00 -0.00 0.00 0.00 57.00 57.46 3a6g n GLN 35 Cb 0.58 -2.43 0.02 0.00 -0.00 0.00 0.00 30.24 28.41 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 0.10 1.78 -2.52 2.61 8.25 -1.26 -4.98 115.22 119.19 3a6g n HIS 36 Ca 0.05 -2.92 0.01 0.00 -0.26 0.00 0.00 57.72 54.60 3a6g n HIS 36 Cb 0.38 -0.30 -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 -0.17 -2.08 0.08 -1.41 0.00 -1.23 -3.40 105.19 96.97 3a6g n GLY 37 Ca 0.18 -1.43 0.13 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.67 0.69 0.62 1.61 8.25 -1.26 -4.11 115.22 120.35 3a6g n HIS 38 Ca 0.00 0.20 0.10 0.00 -0.26 0.00 0.00 57.72 57.76 3a6g n HIS 38 Cb 0.03 -0.80 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 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 -2.09 0.00 -4.30 4.41 1.44 -1.26 -4.82 115.22 108.60 3a6g n HIS 39 Ca 0.05 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.60 3a6g n HIS 39 Cb 0.42 -0.15 -0.10 0.00 0.12 0.00 0.00 29.99 30.27 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 -3.02 1.19 0.97 -1.40 1.00 -1.22 -1.43 119.30 115.38 3a6g s MET 40 Ca 0.03 -1.50 -0.14 0.00 0.00 0.00 0.00 55.69 54.08 3a6g s MET 40 Cb 0.14 -0.90 0.17 0.00 0.00 0.00 0.00 34.83 34.24 3a6g s MET 40 CO 0.81 0.14 1.14 0.00 0.00 0.00 0.00 175.02 177.12 3a6g n MET 42 N -3.97 1.07 -0.76 0.00 0.00 -1.26 -4.14 117.12 108.06 3a6g n MET 42 Ca 0.08 -0.68 0.08 0.00 0.00 0.00 0.00 57.70 57.18 3a6g n MET 42 Cb 0.59 -1.49 0.38 0.00 0.00 0.00 0.00 33.22 32.71 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 -0.37 5.26 -0.21 7.83 0.23 -1.26 -1.30 115.26 125.43 3a6g n ASN 43 Ca 0.13 -2.68 0.01 0.00 -0.53 0.00 0.00 54.58 51.51 3a6g n ASN 43 Cb 0.37 -0.64 0.11 0.00 -2.08 0.00 0.00 39.78 37.55 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 4.06 0.51 0.00 3.53 2.07 -1.82 -0.52 116.25 124.08 3a6g h VAL 44 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3a6g h VAL 44 Cb 1.72 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3a6g h VAL 44 CO 0.36 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.45 3a6g n ASP 45 N -5.25 0.45 -0.13 0.57 8.00 -1.26 -1.61 116.55 117.32 3a6g n ASP 45 Ca 0.10 0.67 -0.26 0.00 0.71 0.00 0.00 54.79 56.00 3a6g n ASP 45 Cb 0.36 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.61 3a6g n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3a6g n VAL 46 N -2.06 1.53 -0.11 2.53 0.31 -0.45 -3.99 118.33 116.09 3a6g n VAL 46 Ca 0.00 -0.39 -0.06 0.00 -0.01 0.00 0.00 64.34 63.88 3a6g n VAL 46 Cb 0.09 -1.81 0.02 0.00 -0.91 0.00 0.00 33.84 31.23 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 -0.77 0.18 0.47 7.52 3.38 -0.80 -2.61 115.31 122.68 3a6g h LEU 47 Ca -0.63 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3a6g h LEU 47 Cb 1.65 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.41 3a6g h LEU 47 CO -0.32 0.14 -0.23 -0.07 0.09 0.00 0.00 178.44 178.06 3a6g h LEU 48 N 0.32 -0.54 -1.55 1.67 3.38 -1.55 -0.79 115.31 116.25 3a6g h LEU 48 Ca 0.17 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3a6g h LEU 48 Cb 0.13 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3a6g h LEU 48 CO -0.16 -0.27 0.30 1.55 0.09 0.00 0.00 178.44 179.96 3a6g h PRO 49 N -0.80 0.60 -0.41 1.13 0.13 -1.76 -1.11 132.00 129.78 3a6g h PRO 49 Ca -0.06 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 3a6g h PRO 49 Cb 0.56 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 3a6g h PRO 49 CO 0.11 0.40 0.11 1.15 -0.23 0.00 0.00 178.00 179.53 3a6g h THR 50 N 0.62 1.23 -0.72 1.56 2.02 -1.34 0.13 112.91 116.40 3a6g h THR 50 Ca 0.17 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.53 3a6g h THR 50 Cb -0.07 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3a6g h THR 50 CO -0.04 0.27 0.26 0.00 0.37 0.00 0.00 175.52 176.38 3a6g h ALA 51 N 0.96 1.09 -0.28 6.16 0.00 -0.51 -0.34 119.26 126.34 3a6g h ALA 51 Ca 0.13 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3a6g h ALA 51 Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a6g h ALA 51 CO -0.00 0.63 -0.13 0.28 0.00 0.00 0.00 179.25 180.03 3a6g h VAL 52 N 1.06 1.29 -0.40 0.00 2.07 -1.00 -2.67 116.25 116.60 3a6g h VAL 52 Ca 0.24 -1.22 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3a6g h VAL 52 Cb 0.25 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3a6g h VAL 52 CO -0.01 0.39 0.21 0.00 0.02 0.00 0.00 177.57 178.17 3a6g h LYS 54 N 0.43 0.05 -0.47 0.00 3.64 -1.01 0.39 116.57 119.60 3a6g h LYS 54 Ca 0.17 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 3a6g h LYS 54 Cb 0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3a6g h LYS 54 CO -0.11 0.03 -0.13 0.00 -2.27 0.00 0.00 179.45 176.98 3a6g h ARG 55 N 0.05 0.93 -0.37 1.90 3.08 -1.20 -1.49 114.38 117.28 3a6g h ARG 55 Ca 0.15 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 3a6g h ARG 55 Cb 0.21 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3a6g h ARG 55 CO -0.28 1.02 0.09 0.28 -1.07 0.00 0.00 179.97 180.01 3a6g h VAL 56 N 0.77 1.23 -0.95 2.04 2.07 -0.80 -2.66 116.25 117.94 3a6g h VAL 56 Ca 0.12 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.92 3a6g h VAL 56 Cb 0.69 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3a6g h VAL 56 CO 0.05 0.27 0.61 0.00 0.02 0.00 0.00 177.57 178.52 3a6g h ALA 57 N 0.93 1.31 -0.22 1.67 0.00 -0.08 -1.01 119.26 121.86 3a6g h ALA 57 Ca 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3a6g h ALA 57 Cb 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a6g h ALA 57 CO 0.00 0.40 -0.09 0.93 0.00 0.00 0.00 179.25 180.49 3a6g h GLU 58 N 1.11 0.35 0.00 0.00 5.08 -1.04 0.56 114.58 120.65 3a6g h GLU 58 Ca 0.41 -0.08 -0.21 0.00 -1.00 0.00 0.00 59.36 58.48 3a6g h GLU 58 Cb 0.15 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3a6g h GLU 58 CO -0.17 0.46 -1.19 0.00 -1.00 0.00 0.00 179.01 177.11 3a6g h ARG 59 N 0.34 0.00 -0.01 2.33 3.08 -0.95 -3.37 114.38 115.79 3a6g h ARG 59 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3a6g h ARG 59 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3a6g h ARG 59 CO 0.02 0.63 -0.01 0.44 -1.07 0.00 0.00 179.97 179.97 3a6g n ILE 60 N -3.15 0.00 -2.71 2.04 -5.35 -0.48 -5.01 119.36 104.69 3a6g n ILE 60 Ca -0.06 -0.49 -0.07 0.00 -0.27 0.00 0.00 62.75 61.85 3a6g n ILE 60 Cb 0.92 1.23 0.03 0.00 -1.74 0.00 0.00 39.64 40.08 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 0.66 0.34 3.90 3.28 0.00 0.12 -5.05 105.19 108.45 3a6g n GLY 61 Ca 0.07 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.11 4.36 0.07 4.61 0.00 -0.81 -4.71 121.76 122.17 3a6g s ALA 62 Ca 0.12 -1.49 0.09 0.00 0.00 0.00 0.00 51.96 50.67 3a6g s ALA 62 Cb -0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3a6g s ALA 62 CO 0.24 -0.44 -0.24 -0.51 0.00 0.00 0.00 175.76 174.82 3a6g s LEU 63 N -4.27 2.23 -0.20 0.00 1.43 -0.53 -4.71 118.68 112.62 3a6g s LEU 63 Ca 0.39 -0.62 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3a6g s LEU 63 Cb -0.02 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.08 3a6g s LEU 63 CO 0.24 0.18 -0.04 -0.69 0.23 0.00 0.00 176.35 176.26 3a6g s VAL 64 N -0.92 3.49 0.62 -1.59 1.01 0.33 -0.46 120.40 122.88 3a6g s VAL 64 Ca 0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 3a6g s VAL 64 Cb -0.10 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3a6g s VAL 64 CO 0.03 0.44 1.03 -0.04 0.00 0.00 0.00 175.10 176.56 3a6g s MET 65 N 1.21 3.48 0.30 2.72 -1.94 0.65 -0.49 119.30 125.24 3a6g s MET 65 Ca 0.03 0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 54.55 3a6g s MET 65 Cb -0.14 -2.06 -0.12 0.00 2.01 0.00 0.00 34.83 34.51 3a6g s MET 65 CO -0.01 -0.66 1.52 -2.30 -0.01 0.00 0.00 175.02 173.56 3a6g n PRO 66 N -2.67 2.54 -2.32 2.03 -0.02 -1.26 -4.46 135.00 128.84 3a6g n PRO 66 Ca 0.06 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 62.12 3a6g n PRO 66 Cb 0.54 -2.64 -0.02 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 0.30 2.22 -0.28 -1.23 0.00 -1.26 -4.68 107.32 102.38 3a6g s GLY 67 Ca 0.62 0.39 -0.26 0.00 0.00 0.00 0.00 44.72 45.47 3a6g s GLY 67 CO 0.52 0.69 0.92 1.08 0.00 0.00 0.00 173.10 176.32 3a6g s LEU 68 N -4.03 4.05 0.30 0.66 1.43 -0.17 -4.92 118.68 115.99 3a6g s LEU 68 Ca 0.63 0.99 0.16 0.00 -1.03 0.00 0.00 54.13 54.88 3a6g s LEU 68 Cb -0.14 -3.32 0.13 0.00 0.03 0.00 0.00 46.19 42.89 3a6g s LEU 68 CO 0.29 -0.67 1.48 1.56 0.23 0.00 0.00 176.35 179.23 3a6g h GLN 69 N 7.88 0.00 -5.76 1.70 1.08 -1.89 -1.05 115.11 117.07 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 -0.30 0.00 -0.05 0.00 0.00 27.48 28.21 3a6g h GLN 69 CO 0.94 0.45 -0.85 0.71 -0.95 0.00 0.00 178.83 179.12 3a6g s TYR 70 N -3.01 2.55 0.01 2.96 1.51 -1.26 -3.00 117.35 117.11 3a6g s TYR 70 Ca 0.04 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3a6g s TYR 70 Cb 0.07 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.25 3a6g s TYR 70 CO 0.73 -0.23 0.00 0.41 -1.11 0.00 0.00 175.55 175.35 3a6g n GLY 71 N 3.13 4.12 3.78 0.71 0.00 -1.18 -4.78 105.19 110.97 3a6g n GLY 71 Ca -0.18 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.99 2.75 0.09 1.61 5.04 -1.26 -0.71 117.35 123.88 3a6g s TYR 72 Ca 0.00 1.50 -0.37 0.00 -2.44 0.00 0.00 57.07 55.76 3a6g s TYR 72 Cb -0.00 -3.00 -0.17 0.00 0.35 0.00 0.00 41.96 39.15 3a6g s TYR 72 CO 0.00 -1.63 1.36 1.63 -1.34 0.00 0.00 175.55 175.56 3a6g n LYS 73 N -3.41 1.21 -1.93 4.97 5.02 -1.24 -4.74 118.16 118.04 3a6g n LYS 73 Ca 0.08 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.39 3a6g n LYS 73 Cb 0.53 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.51 6.58 -0.05 4.39 0.15 -1.26 -4.91 113.70 119.11 3a6g s SER 74 Ca 0.84 2.62 -0.04 0.00 0.70 0.00 0.00 55.95 60.07 3a6g s SER 74 Cb -0.94 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 60.74 3a6g s SER 74 CO 0.46 -0.83 0.16 -1.10 1.20 0.00 0.00 173.24 173.14 3a6g s GLN 75 N 1.15 3.43 0.17 5.44 -1.52 -1.26 -1.93 119.66 125.14 3a6g s GLN 75 Ca 0.70 -0.25 -0.23 0.00 -1.95 0.00 0.00 55.36 53.63 3a6g s GLN 75 Cb -0.44 -3.13 0.07 0.00 -0.22 0.00 0.00 33.01 29.29 3a6g s GLN 75 CO 0.31 0.72 1.59 0.37 -0.25 0.00 0.00 175.29 178.03 3a6g h GLN 76 N 4.28 -0.23 0.00 2.91 4.15 -1.91 0.35 115.11 124.65 3a6g h GLN 76 Ca -0.51 0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3a6g h GLN 76 Cb 1.20 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.95 3a6g h GLN 76 CO 0.65 -0.15 0.00 1.63 -1.93 0.00 0.00 178.83 179.02 3a6g n LYS 77 N -5.42 0.10 -0.01 1.69 5.02 -1.26 -2.15 118.16 116.13 3a6g n LYS 77 Ca 0.02 0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 56.61 3a6g n LYS 77 Cb 0.34 -1.68 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 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 -1.87 4.12 0.00 4.39 3.41 -0.82 -4.83 113.62 118.02 3a6g n SER 78 Ca 0.03 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3a6g n SER 78 Cb 0.22 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 3.21 0.52 0.00 5.00 0.00 0.12 -4.44 105.19 109.60 3a6g n GLY 79 Ca -0.03 0.00 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 -0.26 3.08 0.00 -0.02 0.00 -0.91 -4.83 105.19 102.25 3a6g n GLY 80 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 3.78 1.06 -0.02 0.00 -1.21 -4.40 105.19 104.40 3a6g n GLY 81 Ca 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 2.75 0.00 1.61 5.15 -0.81 -3.61 115.26 120.34 3a6g n ASN 82 Ca 0.00 -2.36 0.10 0.00 -0.60 0.00 0.00 54.58 51.72 3a6g n ASN 82 Cb 0.00 -0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 38.62 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 0.17 0.01 -2.43 1.20 1.44 -1.26 -4.96 115.22 109.39 3a6g n HIS 83 Ca 0.11 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.49 3a6g n HIS 83 Cb 0.63 -0.08 -0.02 0.00 0.12 0.00 0.00 29.99 30.64 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 2.90 0.73 -1.40 0.40 -1.24 -5.03 117.98 111.31 3a6g s PHE 84 Ca 0.07 1.56 -0.11 0.00 -0.60 0.00 0.00 56.93 57.86 3a6g s PHE 84 Cb 0.16 -3.12 0.03 0.00 0.51 0.00 0.00 43.02 40.60 3a6g s PHE 84 CO 0.84 -1.05 1.07 -2.14 0.70 0.00 0.00 175.22 174.64 3a6g s PRO 85 N -3.30 2.64 0.00 0.24 0.02 -1.26 -3.84 135.00 129.49 3a6g s PRO 85 Ca 0.69 0.82 0.00 0.00 0.02 0.00 0.00 61.00 62.52 3a6g s PRO 85 Cb -0.18 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.37 3a6g s PRO 85 CO 0.23 -1.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.03 3a6g n GLY 86 N -2.08 1.92 3.68 0.52 0.00 -1.26 -4.67 105.19 103.29 3a6g n GLY 86 Ca 0.07 -0.23 -0.46 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 0.51 -3.92 2.61 -1.04 -1.25 -4.68 114.28 106.51 3a6g n THR 87 Ca 0.00 -0.09 -0.30 0.00 -2.04 0.00 0.00 64.05 61.61 3a6g n THR 87 Cb 0.00 -1.92 -0.15 0.00 -1.82 0.00 0.00 70.33 66.44 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 3.57 1.63 0.12 12.58 2.01 -0.46 -4.96 115.64 130.13 3a6g s THR 88 Ca 0.89 -1.63 0.07 0.00 0.31 0.00 0.00 61.69 61.33 3a6g s THR 88 Cb -0.63 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 3a6g s THR 88 CO 0.47 -0.39 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.53 3a6g s SER 89 N 1.28 4.70 0.30 3.53 0.01 -1.26 -4.38 113.70 117.88 3a6g s SER 89 Ca 0.03 -0.33 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 3a6g s SER 89 Cb -0.19 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 3a6g s SER 89 CO -0.11 0.15 0.50 -0.76 0.41 0.00 0.00 173.24 173.43 3a6g s LEU 90 N -2.49 4.08 0.65 2.44 1.43 0.11 -4.87 118.68 120.03 3a6g s LEU 90 Ca 0.25 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 3a6g s LEU 90 Cb -0.11 -3.29 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 3a6g s LEU 90 CO 0.17 -0.21 1.06 -1.81 0.23 0.00 0.00 176.35 175.78 3a6g s ASP 91 N -3.70 5.57 0.20 2.29 1.01 -1.26 -3.67 116.67 117.12 3a6g s ASP 91 Ca 0.40 1.71 -0.10 0.00 0.71 0.00 0.00 52.55 55.28 3a6g s ASP 91 Cb -0.10 -2.51 0.25 0.00 1.01 0.00 0.00 42.92 41.56 3a6g s ASP 91 CO 0.33 -1.31 1.77 1.23 0.21 0.00 0.00 175.17 177.40 3a6g h GLY 92 N -0.15 0.88 1.57 0.21 0.00 -1.98 -2.25 103.07 101.35 3a6g h GLY 92 Ca -0.45 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 3a6g h GLY 92 CO 0.57 0.06 0.25 0.00 0.00 0.00 0.00 176.54 177.41 3a6g h ALA 93 N 1.37 1.64 -0.20 3.60 0.00 -1.99 -1.53 119.26 122.16 3a6g h ALA 93 Ca 0.29 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3a6g h ALA 93 Cb 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3a6g h ALA 93 CO -0.24 0.31 -0.05 1.15 0.00 0.00 0.00 179.25 180.42 3a6g h THR 94 N 0.58 1.29 -0.34 0.00 2.02 -1.78 -0.69 112.91 113.99 3a6g h THR 94 Ca 0.15 -1.04 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 3a6g h THR 94 Cb -0.01 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3a6g h THR 94 CO -0.03 0.32 0.02 0.25 0.37 0.00 0.00 175.52 176.45 3a6g h LEU 95 N 0.11 0.56 -0.33 2.58 5.85 -1.34 -1.78 115.31 120.96 3a6g h LEU 95 Ca 0.05 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3a6g h LEU 95 Cb 0.51 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 3a6g h LEU 95 CO 0.02 0.71 0.13 0.74 -0.34 0.00 0.00 178.44 179.70 3a6g h THR 96 N 0.39 0.94 -0.42 1.05 2.02 -1.28 -2.11 112.91 113.51 3a6g h THR 96 Ca 0.10 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3a6g h THR 96 Cb 0.41 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3a6g h THR 96 CO 0.01 0.05 0.15 1.23 0.37 0.00 0.00 175.52 177.34 3a6g h GLY 97 N 0.28 0.64 0.80 2.16 0.00 -0.96 -0.75 103.07 105.25 3a6g h GLY 97 Ca 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 3a6g h GLY 97 CO -0.13 0.29 0.00 -0.84 0.00 0.00 0.00 176.54 175.87 3a6g h THR 98 N 0.59 1.25 -0.52 4.70 2.02 -0.88 -0.42 112.91 119.66 3a6g h THR 98 Ca 0.14 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3a6g h THR 98 Cb 0.14 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3a6g h THR 98 CO -0.01 0.25 0.30 0.58 0.37 0.00 0.00 175.52 177.00 3a6g h VAL 99 N 0.04 1.17 -0.15 3.16 2.07 -1.13 -1.84 116.25 119.55 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 0.37 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3a6g h VAL 99 CO 0.01 0.18 0.07 -0.61 0.02 0.00 0.00 177.57 177.23 3a6g h GLN 100 N 0.69 0.14 -0.70 1.57 4.15 -1.01 -2.00 115.11 117.96 3a6g h GLN 100 Ca 0.18 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 3a6g h GLN 100 Cb 0.02 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3a6g h GLN 100 CO -0.03 0.10 0.41 -0.44 -1.93 0.00 0.00 178.83 176.94 3a6g h ASP 101 N 0.15 0.85 -0.47 -0.69 3.32 -0.90 -1.56 116.42 117.12 3a6g h ASP 101 Ca 0.06 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3a6g h ASP 101 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3a6g h ASP 101 CO -0.05 0.68 0.20 0.40 -1.72 0.00 0.00 179.24 178.74 3a6g h ILE 102 N 0.96 1.20 -0.67 0.35 2.04 -1.13 -1.69 117.51 118.57 3a6g h ILE 102 Ca 0.25 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3a6g h ILE 102 Cb -0.01 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3a6g h ILE 102 CO -0.04 0.23 0.17 0.40 0.00 0.00 0.00 178.15 178.91 3a6g h ILE 103 N 0.62 1.25 -0.62 -0.67 2.04 -1.16 -0.70 117.51 118.27 3a6g h ILE 103 Ca 0.16 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3a6g h ILE 103 Cb 0.18 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3a6g h ILE 103 CO -0.01 0.36 0.41 -0.09 0.00 0.00 0.00 178.15 178.81 3a6g h ARG 104 N 1.01 0.80 -0.36 2.37 2.43 -0.99 -1.72 114.38 117.91 3a6g h ARG 104 Ca 0.21 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 3a6g h ARG 104 Cb 0.35 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3a6g h ARG 104 CO 0.00 0.53 -0.23 0.93 -1.51 0.00 0.00 179.97 179.69 3a6g h GLU 105 N 0.83 0.80 -0.92 0.20 4.39 -0.94 -2.19 114.58 116.75 3a6g h GLU 105 Ca 0.23 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3a6g h GLU 105 Cb -0.07 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 3a6g h GLU 105 CO -0.06 1.00 0.52 -0.07 -1.16 0.00 0.00 179.01 179.24 3a6g h LEU 106 N 0.59 1.14 -0.90 1.33 3.38 -0.94 -0.77 115.31 119.14 3a6g h LEU 106 Ca 0.07 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3a6g h LEU 106 Cb 0.80 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3a6g h LEU 106 CO 0.06 0.90 0.19 0.00 0.09 0.00 0.00 178.44 179.68 3a6g h ALA 107 N 1.29 1.11 -0.53 1.53 0.00 -1.23 -1.27 119.26 120.16 3a6g h ALA 107 Ca 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3a6g h ALA 107 Cb -0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3a6g h ALA 107 CO -0.06 0.60 0.19 -0.09 0.00 0.00 0.00 179.25 179.89 3a6g h ARG 108 N 0.95 0.78 0.00 0.00 2.43 -0.60 -1.45 114.38 116.50 3a6g h ARG 108 Ca 0.21 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3a6g h ARG 108 Cb 0.30 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3a6g h ARG 108 CO -0.01 0.67 -0.20 0.45 -1.51 0.00 0.00 179.97 179.37 3a6g h HIS 109 N 0.77 0.00 0.00 2.20 3.86 -0.44 -3.46 115.15 118.08 3a6g h HIS 109 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 3a6g h HIS 109 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3a6g h HIS 109 CO 0.01 0.20 0.00 0.41 0.86 0.00 0.00 177.93 179.41 3a6g n GLY 110 N -0.41 0.79 3.79 2.45 0.00 -0.55 -4.99 105.19 106.28 3a6g n GLY 110 Ca -0.01 0.00 -0.34 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 2.74 0.00 4.61 0.00 -0.55 -4.96 121.76 121.60 3a6g s ALA 111 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3a6g s ALA 111 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3a6g s ALA 111 CO 0.00 -0.71 0.42 0.54 0.00 0.00 0.00 175.76 176.01 3a6g n ARG 112 N -1.62 0.00 -3.76 0.00 5.12 -1.26 -4.18 116.66 110.96 3a6g n ARG 112 Ca 0.10 -0.42 -0.23 0.00 -1.93 0.00 0.00 57.85 55.37 3a6g n ARG 112 Cb 0.52 -0.48 -0.18 0.00 -1.16 0.00 0.00 32.46 31.17 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 0.57 -0.02 5.56 0.52 -1.26 -1.01 118.95 123.31 3a6g s ARG 113 Ca 0.00 0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.32 3a6g s ARG 113 Cb 0.00 -1.01 0.00 0.00 0.52 0.00 0.00 34.95 34.47 3a6g s ARG 113 CO 0.00 -0.32 -0.06 -1.17 0.02 0.00 0.00 175.30 173.77 3a6g s LEU 114 N 1.98 1.77 -0.18 2.53 2.96 -0.76 -1.66 118.68 125.32 3a6g s LEU 114 Ca 0.05 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3a6g s LEU 114 Cb -0.12 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.20 3a6g s LEU 114 CO -0.05 0.03 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.18 3a6g s VAL 115 N 0.21 2.66 -0.29 1.68 1.01 0.96 -0.66 120.40 125.97 3a6g s VAL 115 Ca -0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 3a6g s VAL 115 Cb -0.07 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 3a6g s VAL 115 CO -0.00 0.50 0.14 -0.76 0.00 0.00 0.00 175.10 174.98 3a6g s LEU 116 N 1.15 3.96 -0.39 3.92 1.43 0.19 0.39 118.68 129.32 3a6g s LEU 116 Ca 0.01 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.64 3a6g s LEU 116 Cb -0.14 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.13 3a6g s LEU 116 CO -0.05 -0.14 0.22 -0.32 0.23 0.00 0.00 176.35 176.28 3a6g s MET 117 N 1.64 2.65 -0.01 1.70 1.75 -0.29 -1.77 119.30 124.96 3a6g s MET 117 Ca 0.05 -1.32 -0.22 0.00 -1.25 0.00 0.00 55.69 52.96 3a6g s MET 117 Cb -0.16 -3.71 -0.05 0.00 2.84 0.00 0.00 34.83 33.75 3a6g s MET 117 CO 0.06 -0.84 0.64 1.21 -0.65 0.00 0.00 175.02 175.44 3a6g s ASN 118 N 1.84 7.00 0.00 1.11 2.47 -0.29 -1.12 114.94 125.96 3a6g s ASN 118 Ca 0.02 1.20 0.07 0.00 0.42 0.00 0.00 52.86 54.56 3a6g s ASN 118 Cb -0.21 -2.39 0.03 0.00 -1.45 0.00 0.00 41.25 37.23 3a6g s ASN 118 CO 0.03 0.04 0.64 0.61 -3.72 0.00 0.00 177.10 174.70 3a6g n GLY 119 N 2.59 -0.56 2.95 1.21 0.00 0.33 -3.94 105.19 107.77 3a6g n GLY 119 Ca -0.05 -0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 3a6g n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a6g s HIS 120 N -0.75 2.66 0.24 1.61 5.65 -1.25 -4.68 115.29 118.77 3a6g s HIS 120 Ca 0.07 -2.02 -0.15 0.00 0.25 0.00 0.00 55.06 53.22 3a6g s HIS 120 Cb 0.06 -1.83 0.29 0.00 -1.18 0.00 0.00 32.58 29.92 3a6g s HIS 120 CO 0.12 -0.82 1.56 -0.92 -0.65 0.00 0.00 174.74 174.03 3a6g h TYR 121 N 7.89 -0.84 0.00 3.88 3.20 -1.96 -0.20 116.97 128.94 3a6g h TYR 121 Ca -0.16 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3a6g h TYR 121 Cb 1.05 0.51 0.00 0.00 1.54 0.00 0.00 36.73 39.83 3a6g h TYR 121 CO 0.50 -0.40 0.11 0.93 -1.64 0.00 0.00 178.16 177.66 3a6g h GLU 122 N -0.02 0.00 0.00 1.82 3.07 -1.91 -2.58 114.58 114.96 3a6g h GLU 122 Ca 0.37 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.10 3a6g h GLU 122 Cb 0.62 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 3a6g h GLU 122 CO -0.94 0.00 -0.64 -0.91 -1.40 0.00 0.00 179.01 175.13 3a6g h ASN 123 N 0.00 0.00 -0.27 1.42 2.35 -1.35 -3.40 115.58 114.33 3a6g h ASN 123 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3a6g h ASN 123 Cb 0.22 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 3a6g h ASN 123 CO 0.00 0.64 -0.16 -1.20 -1.65 0.00 0.00 177.43 175.06 3a6g n SER 124 N -3.78 -0.28 0.21 5.81 7.64 -0.97 -1.45 113.62 120.80 3a6g n SER 124 Ca -0.01 0.71 0.07 0.00 1.01 0.00 0.00 58.87 60.64 3a6g n SER 124 Cb 0.63 -0.18 0.45 0.00 -1.01 0.00 0.00 64.21 64.11 3a6g n SER 124 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3a6g h MET 125 N 0.00 0.00 0.00 1.43 2.86 -1.86 -1.68 114.93 115.68 3a6g h MET 125 Ca 0.04 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 3a6g h MET 125 Cb 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3a6g h MET 125 CO -0.25 0.30 -0.79 0.74 1.06 0.00 0.00 176.91 177.96 3a6g h PHE 126 N 0.00 0.00 -0.33 -0.22 -1.00 -1.52 -1.36 116.94 112.51 3a6g h PHE 126 Ca -0.00 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.65 3a6g h PHE 126 Cb 0.67 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 3a6g h PHE 126 CO 0.00 0.79 -0.27 0.82 -1.61 0.00 0.00 178.31 178.04 3a6g h ILE 127 N 0.00 1.29 -0.33 -0.55 2.04 -0.99 -1.72 117.51 117.26 3a6g h ILE 127 Ca -0.01 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.42 3a6g h ILE 127 Cb 1.53 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 3a6g h ILE 127 CO 0.10 0.47 0.21 0.58 0.00 0.00 0.00 178.15 179.51 3a6g h VAL 128 N 0.53 1.07 -0.44 1.67 2.07 -1.18 -0.99 116.25 118.99 3a6g h VAL 128 Ca 0.06 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3a6g h VAL 128 Cb 0.84 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3a6g h VAL 128 CO 0.07 0.08 -0.06 -0.08 0.02 0.00 0.00 177.57 177.60 3a6g h GLU 129 N 0.43 0.74 -0.79 1.57 4.57 -1.20 -1.22 114.58 118.69 3a6g h GLU 129 Ca 0.12 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.06 3a6g h GLU 129 Cb -0.04 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3a6g h GLU 129 CO -0.03 0.79 0.38 0.78 -1.18 0.00 0.00 179.01 179.75 3a6g h GLY 130 N 0.97 1.23 0.84 1.92 0.00 -0.88 -0.92 103.07 106.23 3a6g h GLY 130 Ca 0.13 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3a6g h GLY 130 CO 0.03 0.58 0.04 -2.22 0.00 0.00 0.00 176.54 174.96 3a6g h ILE 131 N 1.12 1.22 -0.50 2.60 2.04 -0.79 -1.89 117.51 121.31 3a6g h ILE 131 Ca 0.27 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3a6g h ILE 131 Cb 0.12 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3a6g h ILE 131 CO -0.03 0.22 0.31 -0.78 0.00 0.00 0.00 178.15 177.87 3a6g h ASP 132 N 0.13 0.59 -0.51 1.72 3.58 -0.96 0.55 116.42 121.50 3a6g h ASP 132 Ca 0.06 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 3a6g h ASP 132 Cb 0.30 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 3a6g h ASP 132 CO 0.00 0.45 0.07 -0.07 -2.88 0.00 0.00 179.24 176.81 3a6g h LEU 133 N 0.67 0.87 -0.22 2.28 3.38 -1.15 -1.25 115.31 119.90 3a6g h LEU 133 Ca 0.18 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3a6g h LEU 133 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3a6g h LEU 133 CO -0.04 0.90 -0.06 0.00 0.09 0.00 0.00 178.44 179.33 3a6g h ALA 134 N 1.20 0.30 -0.29 1.53 0.00 -0.98 -2.39 119.26 118.63 3a6g h ALA 134 Ca 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3a6g h ALA 134 Cb 0.42 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3a6g h ALA 134 CO 0.01 0.10 0.08 -0.07 0.00 0.00 0.00 179.25 179.37 3a6g h LEU 135 N 0.15 0.38 -0.17 0.00 3.38 -0.73 -0.04 115.31 118.28 3a6g h LEU 135 Ca 0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3a6g h LEU 135 Cb 0.53 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3a6g h LEU 135 CO 0.02 0.38 0.06 -0.09 0.09 0.00 0.00 178.44 178.90 3a6g h ARG 136 N 0.42 0.26 -0.60 1.13 2.43 -1.09 -2.11 114.38 114.82 3a6g h ARG 136 Ca 0.10 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3a6g h ARG 136 Cb 0.15 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3a6g h ARG 136 CO -0.01 0.36 0.21 0.93 -1.51 0.00 0.00 179.97 179.96 3a6g h GLU 137 N 0.10 0.91 -0.83 0.20 5.08 -0.87 -2.52 114.58 116.65 3a6g h GLU 137 Ca 0.05 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.29 3a6g h GLU 137 Cb 0.21 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3a6g h GLU 137 CO -0.00 0.80 0.54 -0.07 -1.00 0.00 0.00 179.01 179.28 3a6g h LEU 138 N 0.84 0.83 -0.83 1.33 3.38 -0.90 -0.34 115.31 119.61 3a6g h LEU 138 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3a6g h LEU 138 Cb 0.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3a6g h LEU 138 CO -0.01 0.54 0.19 -0.09 0.09 0.00 0.00 178.44 179.16 3a6g h ARG 139 N 0.94 1.06 0.00 1.13 2.43 -0.97 0.28 114.38 119.25 3a6g h ARG 139 Ca 0.35 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3a6g h ARG 139 Cb 0.18 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3a6g h ARG 139 CO -0.12 0.92 -0.11 1.88 -1.51 0.00 0.00 179.97 181.03 3a6g h TYR 140 N 1.01 0.00 -0.09 2.20 0.05 -0.73 -0.63 116.97 118.79 3a6g h TYR 140 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 3a6g h TYR 140 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 3a6g h TYR 140 CO 0.02 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.24 3a6g n ALA 141 N -2.25 2.53 -0.71 3.88 0.00 -0.47 -4.92 120.51 118.56 3a6g n ALA 141 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3a6g n ALA 141 Cb 0.24 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.21 0.58 3.33 0.00 0.00 -0.24 -5.05 105.19 105.02 3a6g n GLY 142 Ca 0.18 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 3.68 -0.01 -0.61 1.01 0.86 -4.93 121.20 119.21 3a6g s ILE 143 Ca 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.11 3a6g s ILE 143 Cb 0.00 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.71 3a6g s ILE 143 CO 0.00 0.27 0.83 0.00 0.00 0.00 0.00 174.94 176.04 3a6g n GLN 144 N 4.83 1.73 -0.52 2.79 6.02 -1.26 -2.96 117.38 128.01 3a6g n GLN 144 Ca -0.16 -1.18 0.08 0.00 -0.01 0.00 0.00 57.00 55.73 3a6g n GLN 144 Cb 0.50 -0.83 0.29 0.00 1.02 0.00 0.00 30.24 31.22 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 -0.35 4.25 -4.66 1.08 5.75 -1.26 -4.94 116.55 116.42 3a6g n ASP 145 Ca 0.01 -2.78 -0.40 0.00 -0.01 0.00 0.00 54.79 51.61 3a6g n ASP 145 Cb 0.38 -0.53 -0.06 0.00 -1.03 0.00 0.00 41.12 39.87 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 -2.42 3.36 -0.07 2.11 2.19 -1.26 -4.86 117.98 117.02 3a6g s PHE 146 Ca 0.43 0.88 0.03 0.00 0.33 0.00 0.00 56.93 58.60 3a6g s PHE 146 Cb 0.32 -2.77 -0.02 0.00 -1.31 0.00 0.00 43.02 39.24 3a6g s PHE 146 CO 0.13 -0.17 -0.16 0.21 1.83 0.00 0.00 175.22 177.06 3a6g s LYS 147 N 1.91 2.77 -0.04 10.12 2.20 -0.18 -5.02 119.74 131.50 3a6g s LYS 147 Ca 0.27 -0.73 0.05 0.00 -0.36 0.00 0.00 55.97 55.20 3a6g s LYS 147 Cb -0.16 -2.41 -0.01 0.00 -1.51 0.00 0.00 37.83 33.74 3a6g s LYS 147 CO 0.10 0.46 -0.19 0.08 -0.36 0.00 0.00 175.35 175.44 3a6g s VAL 148 N -0.30 1.58 -0.13 4.02 1.01 -1.26 -1.83 120.40 123.48 3a6g s VAL 148 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3a6g s VAL 148 Cb -0.13 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3a6g s VAL 148 CO 0.03 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 174.72 3a6g s VAL 149 N -0.08 2.62 -0.10 2.92 1.01 0.16 -5.00 120.40 121.94 3a6g s VAL 149 Ca -0.02 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3a6g s VAL 149 Cb -0.11 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3a6g s VAL 149 CO 0.02 0.53 -0.21 -0.69 0.00 0.00 0.00 175.10 174.75 3a6g s VAL 150 N 0.55 2.35 0.13 2.92 1.01 -1.26 -0.64 120.40 125.46 3a6g s VAL 150 Ca -0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 3a6g s VAL 150 Cb -0.16 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.34 3a6g s VAL 150 CO 0.04 0.55 0.42 -1.48 0.00 0.00 0.00 175.10 174.63 3a6g s LEU 151 N 0.24 0.32 -0.15 3.92 0.05 -0.73 -4.98 118.68 117.35 3a6g s LEU 151 Ca -0.14 -0.32 0.01 0.00 0.05 0.00 0.00 54.13 53.74 3a6g s LEU 151 Cb -0.17 1.90 0.00 0.00 -2.05 0.00 0.00 46.19 45.88 3a6g s LEU 151 CO 0.07 -0.88 -0.18 -0.44 -0.55 0.00 0.00 176.35 174.37 3a6g s SER 152 N -2.81 3.41 0.42 1.48 0.01 -1.26 -1.14 113.70 113.82 3a6g s SER 152 Ca 0.03 -0.53 0.17 0.00 1.31 0.00 0.00 55.95 56.93 3a6g s SER 152 Cb 0.01 -1.51 1.08 0.00 0.21 0.00 0.00 66.02 65.81 3a6g s SER 152 CO -0.11 0.08 1.88 0.10 0.41 0.00 0.00 173.24 175.59 3a6g h TYR 153 N 7.36 0.51 0.00 2.43 -0.00 -1.94 -0.61 116.97 124.71 3a6g h TYR 153 Ca -0.33 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.41 3a6g h TYR 153 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 36.73 37.76 3a6g h TYR 153 CO 0.49 0.16 0.00 1.97 -0.00 0.00 0.00 178.16 180.78 3a6g n PHE 154 N -4.49 0.00 0.74 0.10 1.16 -1.26 -2.32 117.46 111.39 3a6g n PHE 154 Ca 0.17 0.00 0.08 0.00 -1.87 0.00 0.00 57.45 55.84 3a6g n PHE 154 Cb 0.64 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.50 3a6g n PHE 154 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3a6g n ASP 155 N -0.50 1.61 -0.99 5.98 8.00 -0.23 -4.41 116.55 126.01 3a6g n ASP 155 Ca 0.00 -1.31 0.09 0.00 0.71 0.00 0.00 54.79 54.29 3a6g n ASP 155 Cb 0.00 0.50 0.25 0.00 -0.02 0.00 0.00 41.12 41.86 3a6g n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a6g n PHE 156 N -0.19 0.65 -3.60 1.24 3.01 -0.98 -4.68 117.46 112.91 3a6g n PHE 156 Ca 0.07 -0.32 -0.40 0.00 1.01 0.00 0.00 57.45 57.81 3a6g n PHE 156 Cb 0.35 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.74 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 -1.35 4.28 0.00 -4.37 1.01 -1.26 -4.67 120.40 114.03 3a6g s VAL 157 Ca 0.37 -2.74 0.00 0.00 0.00 0.00 0.00 61.98 59.61 3a6g s VAL 157 Cb 0.19 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3a6g s VAL 157 CO 0.26 -0.91 0.00 0.29 0.00 0.00 0.00 175.10 174.74 3a6g n LYS 158 N 3.73 2.72 -1.48 2.72 4.01 -1.26 -4.97 118.16 123.63 3a6g n LYS 158 Ca 0.08 0.00 -0.58 0.00 -0.51 0.00 0.00 58.31 57.30 3a6g n LYS 158 Cb 0.41 -0.92 -0.09 0.00 -0.51 0.00 0.00 35.03 33.92 3a6g n LYS 158 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3a6g n ASP 159 N -1.85 1.58 -0.32 4.39 2.03 -1.26 -4.76 116.55 116.35 3a6g n ASP 159 Ca 0.00 0.77 0.15 0.00 0.52 0.00 0.00 54.79 56.23 3a6g n ASP 159 Cb 0.42 -1.05 0.34 0.00 -0.72 0.00 0.00 41.12 40.10 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 8.95 0.49 -0.72 -0.67 0.11 -1.98 0.19 132.00 138.37 3a6g h PRO 160 Ca -0.28 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.87 3a6g h PRO 160 Cb 1.36 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 3a6g h PRO 160 CO 1.03 0.32 0.48 0.00 -0.21 0.00 0.00 178.00 179.61 3a6g h ALA 161 N 1.71 1.72 0.02 -0.75 0.00 -2.00 0.15 119.26 120.11 3a6g h ALA 161 Ca 0.60 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.39 3a6g h ALA 161 Cb 1.12 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3a6g h ALA 161 CO -0.49 0.16 -0.38 0.28 0.00 0.00 0.00 179.25 178.82 3a6g h VAL 162 N 0.74 1.54 -0.82 0.00 2.07 -1.03 -3.08 116.25 115.66 3a6g h VAL 162 Ca 0.31 -2.10 0.09 0.00 0.82 0.00 0.00 66.70 65.83 3a6g h VAL 162 Cb 0.28 2.85 -0.07 0.00 -1.52 0.00 0.00 31.29 32.83 3a6g h VAL 162 CO -0.11 0.58 0.47 0.40 0.02 0.00 0.00 177.57 178.93 3a6g h ILE 163 N -0.45 0.90 -0.27 4.57 1.08 -0.59 -0.89 117.51 121.86 3a6g h ILE 163 Ca -0.05 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 3a6g h ILE 163 Cb 1.16 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3a6g h ILE 163 CO 0.07 0.14 0.18 1.56 -0.69 0.00 0.00 178.15 179.42 3a6g h GLN 164 N 0.78 0.36 -0.69 2.37 7.50 -0.79 0.26 115.11 124.90 3a6g h GLN 164 Ca 0.40 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.51 3a6g h GLN 164 Cb 0.37 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.78 3a6g h GLN 164 CO -0.25 0.24 0.37 1.96 -1.50 0.00 0.00 178.83 179.65 3a6g h GLN 165 N 0.37 0.96 -0.12 1.46 4.20 -1.27 -1.08 115.11 119.63 3a6g h GLN 165 Ca 0.10 -0.11 -0.23 0.00 0.06 0.00 0.00 58.65 58.48 3a6g h GLN 165 Cb -0.04 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 27.56 3a6g h GLN 165 CO -0.02 0.71 -0.81 -0.07 -0.67 0.00 0.00 178.83 177.97 3a6g h LEU 166 N 0.97 0.92 -6.48 1.46 3.38 -0.71 -3.38 115.31 111.46 3a6g h LEU 166 Ca 0.24 -0.65 -0.60 0.00 0.09 0.00 0.00 57.88 56.97 3a6g h LEU 166 Cb 0.04 -0.27 -0.40 0.00 0.09 0.00 0.00 40.66 40.11 3a6g h LEU 166 CO -0.04 1.43 -0.78 -1.22 0.09 0.00 0.00 178.44 177.92 3a6g n TYR 167 N -3.95 1.67 0.26 1.13 4.02 0.89 -4.93 117.16 116.24 3a6g n TYR 167 Ca -0.08 -3.89 0.12 0.00 -0.01 0.00 0.00 57.90 54.03 3a6g n TYR 167 Cb 0.76 -0.34 0.71 0.00 -0.02 0.00 0.00 39.34 40.45 3a6g n TYR 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3a6g h PRO 168 N 4.88 0.00 -0.00 -0.72 0.13 -1.40 -1.52 132.00 133.37 3a6g h PRO 168 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3a6g h PRO 168 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3a6g h PRO 168 CO 0.62 0.11 -0.01 0.39 -0.23 0.00 0.00 178.00 178.88 3a6g n GLU 169 N -3.78 0.96 0.00 0.86 4.71 -1.26 -4.97 120.64 117.16 3a6g n GLU 169 Ca -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.03 3a6g n GLU 169 Cb 0.22 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 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 1.07 3.27 3.64 0.62 0.00 -0.57 -5.05 105.19 108.17 3a6g n GLY 170 Ca 0.22 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.85 3.31 0.00 1.61 5.36 -1.26 -4.89 117.98 121.26 3a6g s PHE 171 Ca 0.00 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 3a6g s PHE 171 Cb 0.00 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 39.89 3a6g s PHE 171 CO 0.00 -0.26 0.00 1.47 -1.46 0.00 0.00 175.22 174.97 3a6g n LEU 172 N 5.41 0.00 0.00 6.12 -0.00 -1.26 -5.20 117.00 122.08 3a6g n LEU 172 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3a6g n LEU 172 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 3a6g n LEU 172 CO 0.43 0.00 0.00 -0.90 -0.00 0.00 0.00 177.39 176.92 3a6g n ASP 175 N -0.23 0.00 -0.63 1.45 5.75 -1.26 -5.08 116.55 116.55 3a6g n ASP 175 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.84 3a6g n ASP 175 Cb 0.00 -0.47 0.15 0.00 -1.03 0.00 0.00 41.12 39.76 3a6g n ASP 175 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3a6g n ILE 176 N -1.89 0.96 0.33 2.12 -5.35 -1.26 -4.71 119.36 109.56 3a6g n ILE 176 Ca 0.00 -0.98 0.15 0.00 -0.27 0.00 0.00 62.75 61.65 3a6g n ILE 176 Cb 0.00 0.53 0.63 0.00 -1.74 0.00 0.00 39.64 39.06 3a6g n ILE 176 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3a6g h GLU 177 N 2.02 0.00 -6.01 6.28 4.39 -1.92 -2.99 114.58 116.35 3a6g h GLU 177 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 3a6g h GLU 177 Cb 0.72 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 3a6g h GLU 177 CO 0.00 0.00 1.36 1.58 -1.16 0.00 0.00 179.01 180.79 3a6g n HIS 178 N -2.63 1.64 -1.10 4.33 -0.00 -1.26 0.44 115.22 116.64 3a6g n HIS 178 Ca 0.01 0.32 -0.03 0.00 -0.00 0.00 0.00 57.72 58.01 3a6g n HIS 178 Cb 0.23 -2.52 -0.01 0.00 -0.00 0.00 0.00 29.99 27.69 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 6.35 0.62 0.00 1.57 0.00 -1.26 -2.08 105.19 110.39 3a6g n GLY 179 Ca 0.40 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.99 1.57 0.18 -0.02 0.00 0.17 -4.42 105.19 100.68 3a6g n GLY 180 Ca -0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 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 0.59 0.52 1.61 2.07 -1.82 -1.94 116.25 117.28 3a6g h VAL 181 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3a6g h VAL 181 Cb 0.00 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3a6g h VAL 181 CO 0.00 0.00 -0.51 0.15 0.02 0.00 0.00 177.57 177.23 3a6g h PHE 182 N -0.03 -1.42 -0.45 1.57 3.04 -1.95 0.87 116.94 118.57 3a6g h PHE 182 Ca 0.18 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.06 3a6g h PHE 182 Cb 0.30 0.55 -0.02 0.00 2.56 0.00 0.00 35.95 39.35 3a6g h PHE 182 CO -0.35 -0.68 -0.05 0.93 -2.02 0.00 0.00 178.31 176.14 3a6g h GLU 183 N -1.03 0.83 -0.84 1.11 5.08 -1.82 -2.64 114.58 115.27 3a6g h GLU 183 Ca -0.07 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 3a6g h GLU 183 Cb 0.89 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 3a6g h GLU 183 CO -0.06 0.91 0.40 1.15 -1.00 0.00 0.00 179.01 180.41 3a6g h THR 184 N 0.67 1.26 -0.36 1.13 2.02 -1.31 -0.46 112.91 115.86 3a6g h THR 184 Ca 0.12 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.55 3a6g h THR 184 Cb 0.57 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3a6g h THR 184 CO 0.03 0.31 0.11 0.28 0.37 0.00 0.00 175.52 176.62 3a6g h SER 185 N 1.19 0.53 -0.83 4.18 0.02 -0.75 0.19 113.55 118.07 3a6g h SER 185 Ca 0.29 -0.21 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3a6g h SER 185 Cb 0.12 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3a6g h SER 185 CO -0.04 0.59 0.55 -0.07 -1.14 0.00 0.00 176.83 176.73 3a6g h LEU 186 N 0.43 0.94 -0.77 5.07 3.38 -1.13 -1.72 115.31 121.51 3a6g h LEU 186 Ca 0.12 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3a6g h LEU 186 Cb 0.26 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3a6g h LEU 186 CO -0.00 0.67 -0.07 0.24 0.09 0.00 0.00 178.44 179.37 3a6g h MET 187 N 1.11 0.86 -0.06 1.13 2.86 -0.75 -0.54 114.93 119.53 3a6g h MET 187 Ca 0.31 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3a6g h MET 187 Cb -0.09 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3a6g h MET 187 CO -0.08 0.90 -0.17 -0.07 1.06 0.00 0.00 176.91 178.56 3a6g h LEU 188 N 0.79 0.09 0.10 1.22 3.38 -0.31 0.59 115.31 121.18 3a6g h LEU 188 Ca 0.14 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.80 3a6g h LEU 188 Cb 0.57 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3a6g h LEU 188 CO 0.03 0.27 -1.41 0.00 0.09 0.00 0.00 178.44 177.43 3a6g h ALA 189 N 1.74 0.25 0.01 1.53 0.00 -0.93 -3.34 119.26 118.52 3a6g h ALA 189 Ca 0.02 -1.05 -0.41 0.00 0.00 0.00 0.00 54.91 53.47 3a6g h ALA 189 Cb 0.36 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 3a6g h ALA 189 CO 0.02 1.12 -2.28 1.28 0.00 0.00 0.00 179.25 179.39 3a6g n LEU 190 N -3.45 2.14 -3.20 0.00 4.77 -0.25 -4.80 117.00 112.22 3a6g n LEU 190 Ca -0.13 0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.89 3a6g n LEU 190 Cb 1.03 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3a6g n LEU 190 CO 0.51 0.60 -0.10 -1.22 -1.33 0.00 0.00 177.39 175.84 3a6g n TYR 191 N -4.09 1.63 -0.13 -1.77 4.01 0.20 -4.95 117.16 112.06 3a6g n TYR 191 Ca -0.48 -3.86 0.19 0.00 -0.16 0.00 0.00 57.90 53.59 3a6g n TYR 191 Cb 0.88 -0.45 0.59 0.00 -0.31 0.00 0.00 39.34 40.05 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 3.62 0.22 0.00 -0.72 0.13 -1.57 -0.44 132.00 133.25 3a6g h PRO 192 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a6g h PRO 192 Cb 0.77 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3a6g h PRO 192 CO 0.63 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.30 3a6g n ASP 193 N -4.42 0.19 -1.29 1.44 9.92 -1.26 -2.11 116.55 119.02 3a6g n ASP 193 Ca 0.14 0.55 0.09 0.00 -0.53 0.00 0.00 54.79 55.05 3a6g n ASP 193 Cb 0.64 -0.59 0.30 0.00 -0.64 0.00 0.00 41.12 40.83 3a6g n ASP 193 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3a6g n LEU 194 N -1.72 4.12 -3.98 0.64 4.77 -0.17 -4.93 117.00 115.73 3a6g n LEU 194 Ca 0.03 -2.26 -0.17 0.00 -0.03 0.00 0.00 56.01 53.57 3a6g n LEU 194 Cb 0.16 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.62 3a6g n LEU 194 CO 0.13 0.85 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.94 3a6g s VAL 195 N -1.48 0.54 -0.41 4.08 1.01 -0.90 -3.05 120.40 120.19 3a6g s VAL 195 Ca 0.45 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.17 3a6g s VAL 195 Cb 0.27 -0.46 0.14 0.00 0.00 0.00 0.00 36.38 36.33 3a6g s VAL 195 CO 0.25 0.16 0.24 -0.62 0.00 0.00 0.00 175.10 175.13 3a6g s ASP 196 N -0.07 3.29 0.63 3.32 -1.08 -0.52 -4.97 116.67 117.27 3a6g s ASP 196 Ca 0.01 -2.52 0.31 0.00 -0.52 0.00 0.00 52.55 49.83 3a6g s ASP 196 Cb -0.04 -0.78 1.66 0.00 -1.46 0.00 0.00 42.92 42.31 3a6g s ASP 196 CO -0.00 -0.27 1.98 -0.07 0.52 0.00 0.00 175.17 177.33 3a6g h LEU 197 N 6.73 0.00 -1.21 -1.34 3.38 -1.97 -0.78 115.31 120.13 3a6g h LEU 197 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3a6g h LEU 197 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3a6g h LEU 197 CO 0.40 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.37 3a6g h ASP 198 N 0.00 0.00 0.08 -0.43 3.32 -1.96 -2.28 116.42 115.16 3a6g h ASP 198 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3a6g h ASP 198 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3a6g h ASP 198 CO -0.00 0.00 -0.16 0.54 -1.72 0.00 0.00 179.24 177.90 3a6g n ARG 199 N -2.62 1.37 -1.89 3.56 1.74 -0.30 -4.94 116.66 113.58 3a6g n ARG 199 Ca 0.01 -0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 55.77 3a6g n ARG 199 Cb 0.23 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.25 2.34 -0.38 1.55 1.01 -0.86 -4.36 120.40 117.45 3a6g s VAL 200 Ca 0.29 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 3a6g s VAL 200 Cb 0.20 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.41 3a6g s VAL 200 CO 0.43 0.05 0.26 -0.69 0.00 0.00 0.00 175.10 175.15 3a6g s VAL 201 N -0.03 5.05 -1.51 2.92 1.01 -1.26 -5.00 120.40 121.59 3a6g s VAL 201 Ca 0.61 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.85 3a6g s VAL 201 Cb -0.45 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3a6g s VAL 201 CO 0.46 -0.21 2.47 -0.67 0.00 0.00 0.00 175.10 177.15 3a6g n ASP 202 N 5.10 5.50 -4.94 3.32 2.03 -1.26 -4.71 116.55 121.59 3a6g n ASP 202 Ca -0.12 -2.75 -0.24 0.00 0.52 0.00 0.00 54.79 52.20 3a6g n ASP 202 Cb 0.47 -1.62 -0.01 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.88 3.48 0.60 -0.67 -3.43 -1.26 -5.02 115.29 111.87 3a6g s HIS 203 Ca 0.55 0.42 -0.16 0.00 -0.80 0.00 0.00 55.06 55.07 3a6g s HIS 203 Cb 0.15 -2.02 -0.03 0.00 -1.43 0.00 0.00 32.58 29.25 3a6g s HIS 203 CO -0.08 -0.01 1.07 -1.25 -2.00 0.00 0.00 174.74 172.47 3a6g s PRO 204 N -4.43 3.23 0.24 -0.38 0.04 -1.26 -3.93 135.00 128.52 3a6g s PRO 204 Ca 0.42 1.26 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 3a6g s PRO 204 Cb -0.10 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 32.28 3a6g s PRO 204 CO 0.38 -0.89 1.11 -0.35 0.04 0.00 0.00 177.00 177.29 3a6g n PRO 205 N -2.05 1.36 -2.10 0.56 -0.04 -1.26 -4.81 135.00 126.65 3a6g n PRO 205 Ca 0.09 0.48 -0.39 0.00 -0.04 0.00 0.00 63.50 63.64 3a6g n PRO 205 Cb 0.53 -1.92 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.64 3.27 0.01 0.55 0.00 0.70 -5.01 121.76 120.65 3a6g s ALA 206 Ca 0.65 1.19 0.05 0.00 0.00 0.00 0.00 51.96 53.85 3a6g s ALA 206 Cb -0.75 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 18.89 3a6g s ALA 206 CO 0.56 -0.75 -0.15 0.95 0.00 0.00 0.00 175.76 176.37 3a6g s THR 207 N -1.27 1.20 0.13 0.00 -4.23 -1.26 -4.97 115.64 105.23 3a6g s THR 207 Ca 0.56 -0.80 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 3a6g s THR 207 Cb -0.37 -1.03 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 3a6g s THR 207 CO 0.48 0.21 -0.09 -0.36 -0.54 0.00 0.00 174.62 174.32 3a6g s PHE 208 N -0.55 1.13 0.91 3.99 0.40 -1.26 -5.06 117.98 117.53 3a6g s PHE 208 Ca 0.05 -0.82 -0.12 0.00 -0.60 0.00 0.00 56.93 55.44 3a6g s PHE 208 Cb -0.07 -0.60 0.14 0.00 0.51 0.00 0.00 43.02 43.00 3a6g s PHE 208 CO 0.00 -0.01 1.09 -1.25 0.70 0.00 0.00 175.22 175.76 3a6g s PRO 209 N -3.78 1.17 0.00 0.24 0.04 -1.26 -4.87 135.00 126.54 3a6g s PRO 209 Ca 0.15 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 3a6g s PRO 209 Cb 0.04 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 3a6g s PRO 209 CO -0.01 -2.28 1.85 -0.35 0.04 0.00 0.00 177.00 176.24 3a6g n PRO 210 N -3.90 0.94 -3.77 0.56 -0.04 -1.26 -4.78 135.00 122.74 3a6g n PRO 210 Ca 0.07 -0.14 -0.03 0.00 -0.04 0.00 0.00 63.50 63.35 3a6g n PRO 210 Cb 0.56 -1.24 -0.01 0.00 -0.04 0.00 0.00 33.50 32.77 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 0.57 -0.09 0.19 0.54 -0.85 -1.26 -5.18 117.35 111.27 3a6g s TYR 211 Ca 0.09 -0.24 0.11 0.00 -0.52 0.00 0.00 57.07 56.51 3a6g s TYR 211 Cb 0.04 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 3a6g s TYR 211 CO 0.00 -0.85 -0.21 -0.51 -1.52 0.00 0.00 175.55 172.45 3a6g s ASP 212 N -3.02 3.58 -0.02 -0.18 1.11 -1.26 -5.10 116.67 111.79 3a6g s ASP 212 Ca 0.14 -0.81 0.05 0.00 0.18 0.00 0.00 52.55 52.12 3a6g s ASP 212 Cb -0.02 -0.34 -0.01 0.00 1.07 0.00 0.00 42.92 43.62 3a6g s ASP 212 CO 0.03 0.12 -0.18 -0.69 1.18 0.00 0.00 175.17 175.63 3a6g s VAL 213 N -1.65 1.43 -0.01 -1.27 1.01 -1.26 -5.14 120.40 113.51 3a6g s VAL 213 Ca 0.21 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3a6g s VAL 213 Cb -0.08 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.11 3a6g s VAL 213 CO 0.11 0.40 -0.02 -0.36 0.00 0.00 0.00 175.10 175.23 3a6g s PHE 214 N -0.35 0.27 0.56 5.22 0.08 -1.26 -3.70 117.98 118.81 3a6g s PHE 214 Ca 0.05 -0.04 -0.21 0.00 0.12 0.00 0.00 56.93 56.86 3a6g s PHE 214 Cb -0.08 -0.23 -0.05 0.00 -0.57 0.00 0.00 43.02 42.09 3a6g s PHE 214 CO -0.00 -0.04 1.25 -2.30 -0.10 0.00 0.00 175.22 174.03 3a6g n PRO 215 N 3.31 1.42 -1.67 0.24 -0.02 -1.26 -5.08 135.00 131.94 3a6g n PRO 215 Ca -0.16 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.42 3a6g n PRO 215 Cb 0.57 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.26 1.91 -3.47 -1.45 3.14 -1.24 -4.95 118.33 111.01 3a6g n VAL 216 Ca 0.12 -0.48 -0.43 0.00 -2.96 0.00 0.00 64.34 60.59 3a6g n VAL 216 Cb 0.45 -1.44 -0.09 0.00 -1.06 0.00 0.00 33.84 31.71 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 -0.31 5.98 0.45 6.55 2.15 -1.26 -4.97 116.67 125.26 3a6g s ASP 217 Ca 0.57 -1.28 0.23 0.00 0.43 0.00 0.00 52.55 52.50 3a6g s ASP 217 Cb -0.61 -2.12 1.23 0.00 -0.30 0.00 0.00 42.92 41.12 3a6g s ASP 217 CO 0.61 -0.57 1.83 -0.65 -0.17 0.00 0.00 175.17 176.22 3a6g h PRO 218 N 8.63 0.26 0.00 4.34 0.11 -1.95 -1.11 132.00 142.28 3a6g h PRO 218 Ca -0.27 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 3a6g h PRO 218 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3a6g h PRO 218 CO 0.81 0.17 -0.00 0.00 -0.21 0.00 0.00 178.00 178.77 3a6g h ALA 219 N 1.58 1.02 -0.01 -0.75 0.00 -2.00 -2.28 119.26 116.82 3a6g h ALA 219 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3a6g h ALA 219 Cb 1.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3a6g h ALA 219 CO -0.16 0.01 -0.02 0.54 0.00 0.00 0.00 179.25 179.62 3a6g n ARG 220 N -3.12 1.38 -4.90 0.00 1.74 -0.42 -4.79 116.66 106.55 3a6g n ARG 220 Ca -0.02 -0.63 -0.33 0.00 -0.77 0.00 0.00 57.85 56.10 3a6g n ARG 220 Cb 0.14 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.06 2.87 0.30 0.55 2.01 -0.86 -4.94 115.64 113.51 3a6g s THR 221 Ca 0.39 -0.75 -0.29 0.00 0.31 0.00 0.00 61.69 61.35 3a6g s THR 221 Cb 0.21 -2.16 -0.13 0.00 0.01 0.00 0.00 72.50 70.43 3a6g s THR 221 CO 0.36 0.55 1.19 -2.65 -0.69 0.00 0.00 174.62 173.38 3a6g n PRO 222 N 3.06 1.75 -0.29 4.92 -0.02 -1.26 -4.84 135.00 138.31 3a6g n PRO 222 Ca -0.18 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3a6g n PRO 222 Cb 0.52 -2.12 0.24 0.00 -0.02 0.00 0.00 33.50 32.12 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 2.60 1.06 0.00 3.55 0.00 -1.90 -0.15 119.26 124.42 3a6g h ALA 223 Ca -0.43 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a6g h ALA 223 Cb 1.31 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3a6g h ALA 223 CO 0.64 -0.46 0.00 -1.35 0.00 0.00 0.00 179.25 178.08 3a6g h PRO 224 N 0.14 0.00 0.00 0.00 0.11 -1.98 -3.46 132.00 126.81 3a6g h PRO 224 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3a6g h PRO 224 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3a6g h PRO 224 CO -0.70 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.50 3a6g n GLY 225 N -0.65 1.90 3.84 -0.55 0.00 -0.07 -3.58 105.19 106.07 3a6g n GLY 225 Ca -0.01 0.00 -0.33 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 -2.42 4.54 -0.65 2.61 -4.23 -1.26 -4.50 115.64 109.74 3a6g s THR 226 Ca 0.00 1.20 0.22 0.00 -1.18 0.00 0.00 61.69 61.93 3a6g s THR 226 Cb 0.00 -3.62 -0.19 0.00 1.34 0.00 0.00 72.50 70.03 3a6g s THR 226 CO 0.00 -0.29 0.90 0.18 -0.54 0.00 0.00 174.62 174.86 3a6g n LEU 227 N -0.61 0.62 -3.76 4.79 4.77 -0.88 -4.44 117.00 117.49 3a6g n LEU 227 Ca 0.05 -0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 55.76 3a6g n LEU 227 Cb 0.54 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 3a6g n LEU 227 CO 0.40 0.11 0.19 -0.94 -1.33 0.00 0.00 177.39 175.81 3a6g s SER 228 N -3.69 -0.19 0.16 -1.43 1.04 -1.13 -0.22 113.70 108.24 3a6g s SER 228 Ca 0.03 -0.52 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 3a6g s SER 228 Cb 0.15 0.52 -0.08 0.00 0.10 0.00 0.00 66.02 66.72 3a6g s SER 228 CO 0.84 -0.97 0.83 -0.55 0.98 0.00 0.00 173.24 174.37 3a6g s SER 229 N -2.88 7.43 -0.12 7.02 0.15 -1.25 -4.26 113.70 119.80 3a6g s SER 229 Ca 0.09 1.70 0.17 0.00 0.70 0.00 0.00 55.95 58.60 3a6g s SER 229 Cb 0.01 -2.53 0.63 0.00 -1.71 0.00 0.00 66.02 62.42 3a6g s SER 229 CO -0.05 0.14 1.55 0.00 1.20 0.00 0.00 173.24 176.08 3a6g n ALA 230 N 1.88 2.99 -0.28 5.45 0.00 -1.26 -3.81 120.51 125.48 3a6g n ALA 230 Ca -0.04 -1.69 0.15 0.00 0.00 0.00 0.00 53.44 51.86 3a6g n ALA 230 Cb 0.49 -0.88 0.41 0.00 0.00 0.00 0.00 19.45 19.47 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 3.36 0.60 -0.66 0.00 3.64 -1.92 -0.59 116.57 120.99 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 1.38 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 3a6g h LYS 231 CO 0.21 0.40 0.00 0.25 -2.27 0.00 0.00 179.45 178.04 3a6g n THR 232 N -4.59 1.33 -2.39 1.00 -2.24 -1.26 -4.94 114.28 101.19 3a6g n THR 232 Ca 0.20 -0.76 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 3a6g n THR 232 Cb 0.57 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.61 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 -1.86 2.82 0.13 6.98 0.00 -0.23 -5.04 121.76 124.56 3a6g s ALA 233 Ca 0.32 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.65 3a6g s ALA 233 Cb 0.22 -3.26 0.05 0.00 0.00 0.00 0.00 23.12 20.14 3a6g s ALA 233 CO 0.13 -0.48 0.51 -1.54 0.00 0.00 0.00 175.76 174.38 3a6g s SER 234 N -2.16 -0.42 0.18 0.00 1.04 -1.26 -4.94 113.70 106.14 3a6g s SER 234 Ca 0.67 -0.08 -0.13 0.00 0.48 0.00 0.00 55.95 56.89 3a6g s SER 234 Cb -0.17 0.53 0.11 0.00 0.10 0.00 0.00 66.02 66.59 3a6g s SER 234 CO 0.25 -0.88 1.83 -0.09 0.98 0.00 0.00 173.24 175.33 3a6g h ARG 235 N 2.27 0.68 -0.33 4.02 2.43 -1.85 -1.57 114.38 120.03 3a6g h ARG 235 Ca -0.33 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3a6g h ARG 235 Cb 1.27 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 3a6g h ARG 235 CO 0.42 0.45 0.09 0.93 -1.51 0.00 0.00 179.97 180.35 3a6g h GLU 236 N 0.70 0.21 -0.56 0.20 3.07 -1.96 -0.03 114.58 116.22 3a6g h GLU 236 Ca 0.22 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 3a6g h GLU 236 Cb -0.01 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 3a6g h GLU 236 CO -0.08 0.14 0.27 0.87 -1.40 0.00 0.00 179.01 178.80 3a6g h LYS 237 N 0.21 0.78 -0.59 2.33 1.57 -1.82 -2.11 116.57 116.94 3a6g h LYS 237 Ca 0.15 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 3a6g h LYS 237 Cb 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3a6g h LYS 237 CO -0.18 0.61 0.00 0.78 -0.57 0.00 0.00 179.45 180.09 3a6g h GLY 238 N 0.88 1.12 1.01 3.86 0.00 -0.27 -1.27 103.07 108.39 3a6g h GLY 238 Ca 0.19 -0.82 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3a6g h GLY 238 CO -0.03 0.76 0.34 0.83 0.00 0.00 0.00 176.54 178.44 3a6g h GLU 239 N 0.93 0.98 0.03 4.80 4.39 -0.58 -0.20 114.58 124.92 3a6g h GLU 239 Ca 0.17 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3a6g h GLU 239 Cb 0.55 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3a6g h GLU 239 CO 0.03 0.77 -0.01 1.25 -1.16 0.00 0.00 179.01 179.89 3a6g h LEU 240 N 0.95 -0.03 -0.40 1.33 5.85 -1.19 -2.26 115.31 119.57 3a6g h LEU 240 Ca 0.24 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3a6g h LEU 240 Cb 0.11 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 3a6g h LEU 240 CO -0.03 0.16 0.18 0.40 -0.34 0.00 0.00 178.44 178.81 3a6g h ILE 241 N -0.22 0.95 0.12 4.05 2.04 -1.05 -1.83 117.51 121.58 3a6g h ILE 241 Ca -0.00 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3a6g h ILE 241 Cb 0.20 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3a6g h ILE 241 CO 0.01 0.07 -0.14 0.25 0.00 0.00 0.00 178.15 178.34 3a6g h LEU 242 N 0.38 -0.38 -0.82 1.44 5.85 -0.97 -0.34 115.31 120.47 3a6g h LEU 242 Ca 0.17 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3a6g h LEU 242 Cb 0.10 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3a6g h LEU 242 CO -0.14 -0.21 0.36 -0.08 -0.34 0.00 0.00 178.44 178.03 3a6g h GLU 243 N -0.30 1.21 -0.22 1.25 4.57 -1.32 0.08 114.58 119.85 3a6g h GLU 243 Ca 0.01 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 3a6g h GLU 243 Cb 0.29 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 3a6g h GLU 243 CO -0.05 0.96 0.10 0.28 -1.18 0.00 0.00 179.01 179.11 3a6g h VAL 244 N 1.19 1.15 -0.23 0.32 2.07 -1.11 -1.25 116.25 118.38 3a6g h VAL 244 Ca 0.28 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 3a6g h VAL 244 Cb 0.18 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3a6g h VAL 244 CO -0.03 0.15 0.01 0.00 0.02 0.00 0.00 177.57 177.72 3a6g h VAL 246 N 0.18 0.99 -0.41 0.00 2.07 -0.93 0.38 116.25 118.53 3a6g h VAL 246 Ca 0.07 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3a6g h VAL 246 Cb 0.39 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3a6g h VAL 246 CO 0.01 0.05 0.14 1.56 0.02 0.00 0.00 177.57 179.35 3a6g h GLN 247 N 0.29 0.63 -0.37 1.57 4.20 -1.22 -0.30 115.11 119.91 3a6g h GLN 247 Ca 0.12 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3a6g h GLN 247 Cb 0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3a6g h GLN 247 CO -0.09 0.62 0.13 0.78 -0.67 0.00 0.00 178.83 179.61 3a6g h GLY 248 N 0.51 0.60 1.02 3.46 0.00 -1.09 -1.74 103.07 105.83 3a6g h GLY 248 Ca 0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 3a6g h GLY 248 CO -0.01 0.32 -0.04 -2.22 0.00 0.00 0.00 176.54 174.60 3a6g h ILE 249 N 0.45 1.27 -0.30 2.60 2.04 -0.87 -1.63 117.51 121.07 3a6g h ILE 249 Ca 0.12 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.86 3a6g h ILE 249 Cb 0.21 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3a6g h ILE 249 CO -0.01 0.39 0.18 0.00 0.00 0.00 0.00 178.15 178.72 3a6g h ALA 250 N 0.91 0.37 -0.57 1.87 0.00 -0.95 -0.76 119.26 120.14 3a6g h ALA 250 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3a6g h ALA 250 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3a6g h ALA 250 CO 0.03 -0.18 0.12 -0.44 0.00 0.00 0.00 179.25 178.79 3a6g h ASP 251 N 0.38 0.84 -0.62 0.00 3.32 -1.21 -1.43 116.42 117.69 3a6g h ASP 251 Ca 0.11 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3a6g h ASP 251 Cb -0.02 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 3a6g h ASP 251 CO -0.04 0.83 0.23 0.00 -1.72 0.00 0.00 179.24 178.53 3a6g h ALA 252 N 1.28 0.80 -0.49 3.45 0.00 -0.84 -1.89 119.26 121.57 3a6g h ALA 252 Ca 0.18 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3a6g h ALA 252 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a6g h ALA 252 CO 0.00 0.44 -0.07 0.82 0.00 0.00 0.00 179.25 180.44 3a6g h ILE 253 N 0.87 1.26 -0.80 0.00 2.04 -0.82 -1.44 117.51 118.62 3a6g h ILE 253 Ca 0.20 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3a6g h ILE 253 Cb 0.24 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 3a6g h ILE 253 CO -0.01 0.40 0.45 0.03 0.00 0.00 0.00 178.15 179.02 3a6g h ARG 254 N 0.79 1.09 -0.23 2.37 3.08 -0.92 0.14 114.38 120.70 3a6g h ARG 254 Ca 0.14 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 59.89 3a6g h ARG 254 Cb 0.57 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3a6g h ARG 254 CO 0.03 0.79 -0.56 0.93 -1.07 0.00 0.00 179.97 180.09 3a6g h GLU 255 N 1.11 0.80 0.03 0.04 5.08 -0.92 -3.17 114.58 117.55 3a6g h GLU 255 Ca 0.28 -0.54 -0.23 0.00 -1.00 0.00 0.00 59.36 57.87 3a6g h GLU 255 Cb 0.00 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3a6g h GLU 255 CO -0.05 1.17 -1.07 0.93 -1.00 0.00 0.00 179.01 178.98 3a6g h GLU 256 N 0.54 0.07 -2.25 2.33 4.39 -1.07 -3.38 114.58 115.21 3a6g h GLU 256 Ca -0.00 -0.11 -0.60 0.00 0.34 0.00 0.00 59.36 58.99 3a6g h GLU 256 Cb 1.18 0.04 -0.42 0.00 -0.10 0.00 0.00 28.75 29.45 3a6g h GLU 256 CO 0.12 1.04 -0.64 1.19 -1.16 0.00 0.00 179.01 179.57 3a6g n PHE 257 N -3.39 3.22 -1.96 4.33 3.72 0.49 -5.09 117.46 118.77 3a6g n PHE 257 Ca -0.02 -4.11 -0.38 0.00 -0.05 0.00 0.00 57.45 52.88 3a6g n PHE 257 Cb 0.96 -0.54 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 3a6g n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3a6g s PRO 258 N -2.26 3.49 0.00 -1.08 0.02 -1.20 -4.70 135.00 129.28 3a6g s PRO 258 Ca 0.38 2.11 0.01 0.00 0.02 0.00 0.00 61.00 63.53 3a6g s PRO 258 Cb 0.13 -2.42 0.07 0.00 0.02 0.00 0.00 34.50 32.31 3a6g s PRO 258 CO -0.03 -0.87 0.57 -2.30 -0.33 0.00 0.00 177.00 174.03