#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6h n VAL 5 N 0.00 0.00 -3.04 2.46 0.24 -1.26 -4.86 118.33 111.86 3a6h n VAL 5 Ca 0.00 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.34 61.64 3a6h n VAL 5 Cb 0.00 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.22 3a6h n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3a6h s PHE 6 N -2.38 3.17 0.31 6.34 0.40 -1.26 0.78 117.98 125.34 3a6h s PHE 6 Ca 0.24 0.56 0.08 0.00 -0.60 0.00 0.00 56.93 57.20 3a6h s PHE 6 Cb 0.19 -3.17 0.83 0.00 0.51 0.00 0.00 43.02 41.38 3a6h s PHE 6 CO 0.50 -0.59 1.74 0.28 0.70 0.00 0.00 175.22 177.84 3a6h h VAL 7 N 5.64 0.58 0.00 -0.44 2.07 -1.31 0.51 116.25 123.30 3a6h h VAL 7 Ca -0.26 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3a6h h VAL 7 Cb 1.11 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3a6h h VAL 7 CO 0.85 0.11 -0.03 1.23 0.02 0.00 0.00 177.57 179.76 3a6h h GLY 8 N 0.62 0.00 -0.64 2.17 0.00 -1.93 -1.90 103.07 101.40 3a6h h GLY 8 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 3a6h h GLY 8 CO -0.45 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.27 3a6h n GLU 9 N -4.13 1.68 -4.01 4.80 1.02 0.17 -4.90 120.64 115.27 3a6h n GLU 9 Ca -0.03 -1.01 -0.23 0.00 -0.02 0.00 0.00 57.16 55.86 3a6h n GLU 9 Cb 0.12 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 3a6h n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a6h s LEU 10 N -1.72 4.13 0.71 -4.62 1.43 -0.72 -4.96 118.68 112.92 3a6h s LEU 10 Ca 0.34 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 3a6h s LEU 10 Cb 0.19 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.76 3a6h s LEU 10 CO 0.29 -0.01 1.06 0.42 0.23 0.00 0.00 176.35 178.34 3a6h s THR 11 N -1.91 2.85 0.22 5.49 -4.23 -1.26 -4.91 115.64 111.88 3a6h s THR 11 Ca 0.33 0.08 0.21 0.00 -1.18 0.00 0.00 61.69 61.13 3a6h s THR 11 Cb -0.09 -3.24 0.18 0.00 1.34 0.00 0.00 72.50 70.69 3a6h s THR 11 CO 0.27 -0.28 1.82 4.11 -0.54 0.00 0.00 174.62 179.99 3a6h h TRP 12 N -0.64 0.00 -0.39 3.99 5.08 -1.99 -2.30 115.95 119.70 3a6h h TRP 12 Ca -0.45 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.39 3a6h h TRP 12 Cb 1.29 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.44 3a6h h TRP 12 CO 0.41 0.30 -0.25 0.87 -1.28 0.00 0.00 178.44 178.48 3a6h h LYS 13 N 0.00 0.85 -0.57 0.12 1.79 -1.99 0.37 116.57 117.16 3a6h h LYS 13 Ca -0.00 -0.40 -0.08 0.00 -2.18 0.00 0.00 60.65 57.98 3a6h h LYS 13 Cb 0.75 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 3a6h h LYS 13 CO 0.04 1.04 0.02 0.93 -1.08 0.00 0.00 179.45 180.41 3a6h h GLU 14 N 0.66 0.99 -0.33 3.15 5.08 -1.89 -1.83 114.58 120.41 3a6h h GLU 14 Ca 0.08 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 3a6h h GLU 14 Cb 0.82 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3a6h h GLU 14 CO 0.07 0.97 0.02 -0.92 -1.00 0.00 0.00 179.01 178.15 3a6h h TYR 15 N 0.87 0.62 -0.91 4.33 3.20 -1.32 -2.17 116.97 121.60 3a6h h TYR 15 Ca 0.16 -0.10 0.08 0.00 3.14 0.00 0.00 58.73 62.01 3a6h h TYR 15 Cb 0.51 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.55 3a6h h TYR 15 CO 0.04 0.68 0.57 1.49 -1.64 0.00 0.00 178.16 179.29 3a6h h GLU 16 N 0.39 0.97 -0.48 1.82 4.81 -0.76 -1.52 114.58 119.81 3a6h h GLU 16 Ca 0.10 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 3a6h h GLU 16 Cb 0.42 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3a6h h GLU 16 CO 0.01 0.64 -0.05 0.00 -0.73 0.00 0.00 179.01 178.89 3a6h h ALA 17 N 1.45 0.65 -0.69 2.92 0.00 -1.12 0.63 119.26 123.09 3a6h h ALA 17 Ca 0.41 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3a6h h ALA 17 Cb 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3a6h h ALA 17 CO -0.20 0.50 0.16 0.00 0.00 0.00 0.00 179.25 179.71 3a6h h ARG 18 N 0.73 1.11 -0.14 0.00 2.47 -0.81 -2.42 114.38 115.32 3a6h h ARG 18 Ca 0.13 -0.27 -0.19 0.00 -1.26 0.00 0.00 59.98 58.39 3a6h h ARG 18 Cb 0.58 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 3a6h h ARG 18 CO 0.03 0.98 -0.70 0.28 0.56 0.00 0.00 179.97 181.13 3a6h h VAL 19 N 1.05 1.32 -0.09 2.04 2.07 -1.19 -3.01 116.25 118.45 3a6h h VAL 19 Ca 0.22 -1.99 0.03 0.00 0.82 0.00 0.00 66.70 65.78 3a6h h VAL 19 Cb 0.38 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3a6h h VAL 19 CO 0.00 0.62 0.09 0.00 0.02 0.00 0.00 177.57 178.30 3a6h h ALA 20 N 0.79 1.78 0.00 1.67 0.00 -0.58 0.35 119.26 123.26 3a6h h ALA 20 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a6h h ALA 20 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3a6h h ALA 20 CO 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3a6h h ALA 21 N 1.91 1.00 0.00 0.00 0.00 -1.30 -3.46 119.26 117.42 3a6h h ALA 21 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a6h h ALA 21 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3a6h h ALA 21 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3a6h n GLY 22 N -0.99 1.69 0.03 0.00 0.00 0.11 -4.80 105.19 101.24 3a6h n GLY 22 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 3a6h n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a6h n ASP 23 N 0.00 2.10 -4.70 1.61 3.85 -1.26 -5.03 116.55 113.12 3a6h n ASP 23 Ca 0.00 -2.21 -0.42 0.00 -0.71 0.00 0.00 54.79 51.45 3a6h n ASP 23 Cb 0.00 -0.09 -0.03 0.00 -1.35 0.00 0.00 41.12 39.65 3a6h n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a6h s VAL 25 N 2.23 3.89 -0.01 0.00 1.01 -1.26 -4.25 120.40 122.02 3a6h s VAL 25 Ca 0.76 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3a6h s VAL 25 Cb -0.44 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 3a6h s VAL 25 CO 0.33 0.46 -0.01 -0.76 0.00 0.00 0.00 175.10 175.13 3a6h s LEU 26 N 0.66 3.45 -0.08 3.92 1.43 -0.41 -1.31 118.68 126.34 3a6h s LEU 26 Ca -0.01 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 3a6h s LEU 26 Cb -0.14 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3a6h s LEU 26 CO 0.02 0.29 -0.19 -0.04 0.23 0.00 0.00 176.35 176.66 3a6h s MET 27 N -1.49 2.33 -0.25 1.70 -1.94 0.37 -0.29 119.30 119.73 3a6h s MET 27 Ca 0.19 -0.66 0.03 0.00 -1.71 0.00 0.00 55.69 53.53 3a6h s MET 27 Cb -0.11 -1.84 0.06 0.00 2.01 0.00 0.00 34.83 34.94 3a6h s MET 27 CO 0.09 0.14 -0.11 -1.17 -0.01 0.00 0.00 175.02 173.96 3a6h s LEU 28 N 0.40 3.23 0.12 -0.03 2.96 0.85 -0.06 118.68 126.16 3a6h s LEU 28 Ca -0.14 -1.31 -0.30 0.00 -0.22 0.00 0.00 54.13 52.16 3a6h s LEU 28 Cb -0.16 -1.50 -0.06 0.00 0.50 0.00 0.00 46.19 44.97 3a6h s LEU 28 CO 0.06 -0.18 1.06 -2.84 -1.32 0.00 0.00 176.35 173.12 3a6h s PRO 29 N 1.15 4.60 -0.24 0.98 0.02 -1.26 -1.09 135.00 139.16 3a6h s PRO 29 Ca -0.07 1.61 0.02 0.00 0.02 0.00 0.00 61.00 62.57 3a6h s PRO 29 Cb -0.19 -3.34 0.06 0.00 0.02 0.00 0.00 34.50 31.05 3a6h s PRO 29 CO -0.06 0.06 -0.08 0.08 -0.33 0.00 0.00 177.00 176.68 3a6h s VAL 30 N 0.13 1.77 0.00 3.83 1.01 -0.32 -1.22 120.40 125.61 3a6h s VAL 30 Ca 0.50 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3a6h s VAL 30 Cb -0.27 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3a6h s VAL 30 CO 0.32 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3a6h n GLY 31 N 4.59 4.28 3.61 4.51 0.00 -0.38 -1.39 105.19 120.40 3a6h n GLY 31 Ca -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.45 3a6h n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6h s ALA 32 N -2.16 -2.10 -0.41 4.61 0.00 -1.24 -2.94 121.76 117.53 3a6h s ALA 32 Ca 0.00 1.69 -0.08 0.00 0.00 0.00 0.00 51.96 53.57 3a6h s ALA 32 Cb 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 23.12 22.91 3a6h s ALA 32 CO 0.00 -0.55 0.23 -1.17 0.00 0.00 0.00 175.76 174.27 3a6h s LEU 33 N -2.03 5.06 -0.06 0.00 2.96 -1.15 -4.27 118.68 119.19 3a6h s LEU 33 Ca 0.10 -1.56 -0.08 0.00 -0.22 0.00 0.00 54.13 52.37 3a6h s LEU 33 Cb -0.01 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.75 3a6h s LEU 33 CO -0.04 -0.51 0.20 -0.70 -1.32 0.00 0.00 176.35 173.97 3a6h s GLU 34 N 1.37 0.32 0.35 1.98 2.12 -0.47 -1.27 118.70 123.09 3a6h s GLU 34 Ca 0.03 0.11 -0.29 0.00 0.36 0.00 0.00 54.97 55.18 3a6h s GLU 34 Cb -0.23 0.15 -0.11 0.00 0.26 0.00 0.00 34.13 34.19 3a6h s GLU 34 CO 0.01 -0.06 1.48 0.00 -0.54 0.00 0.00 175.26 176.15 3a6h n GLN 35 N 2.54 2.58 -2.57 4.30 -0.00 -1.26 -4.41 117.38 118.56 3a6h n GLN 35 Ca -0.15 0.91 -0.14 0.00 -0.00 0.00 0.00 57.00 57.62 3a6h n GLN 35 Cb 0.58 -2.62 0.02 0.00 -0.00 0.00 0.00 30.24 28.22 3a6h n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 3a6h n HIS 36 N 0.82 1.97 -0.16 2.61 8.25 -1.26 -5.00 115.22 122.46 3a6h n HIS 36 Ca 0.04 -2.67 0.00 0.00 -0.26 0.00 0.00 57.72 54.82 3a6h n HIS 36 Cb 0.38 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3a6h n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a6h n GLY 37 N -0.36 -2.74 0.15 -1.41 0.00 -1.26 -3.79 105.19 95.79 3a6h n GLY 37 Ca 0.21 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.69 3a6h n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3a6h h HIS 38 N 0.00 0.00 -0.30 1.61 3.86 -1.84 -3.34 115.15 115.14 3a6h h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3a6h h HIS 38 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3a6h h HIS 38 CO 0.00 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.40 3a6h n HIS 39 N -2.53 0.40 -3.85 2.45 1.44 -1.26 -4.85 115.22 107.01 3a6h n HIS 39 Ca 0.04 -0.31 -0.11 0.00 -2.01 0.00 0.00 57.72 55.33 3a6h n HIS 39 Cb 0.41 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.42 3a6h n HIS 39 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 3a6h s MET 40 N -1.11 0.53 1.20 -1.40 0.00 -1.25 -0.89 119.30 116.39 3a6h s MET 40 Ca 0.27 -0.40 -0.16 0.00 0.00 0.00 0.00 55.69 55.40 3a6h s MET 40 Cb 0.15 0.22 0.29 0.00 0.00 0.00 0.00 34.83 35.50 3a6h s MET 40 CO 0.21 -0.13 1.03 0.00 0.00 0.00 0.00 175.02 176.12 3a6h n MET 42 N -4.93 1.13 -0.76 0.00 0.00 -1.26 -4.15 117.12 107.15 3a6h n MET 42 Ca 0.07 -0.80 0.08 0.00 0.00 0.00 0.00 57.70 57.05 3a6h n MET 42 Cb 0.57 -1.48 0.39 0.00 0.00 0.00 0.00 33.22 32.69 3a6h n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 3a6h n ASN 43 N -0.24 5.28 -0.26 7.83 2.04 -1.26 -1.37 115.26 127.29 3a6h n ASN 43 Ca 0.12 -2.68 0.06 0.00 -0.44 0.00 0.00 54.58 51.64 3a6h n ASN 43 Cb 0.41 -0.64 0.17 0.00 -2.53 0.00 0.00 39.78 37.20 3a6h n ASN 43 CO 0.00 0.00 0.00 0.58 -0.44 0.00 0.00 177.26 177.40 3a6h h VAL 44 N 4.12 0.38 0.00 3.53 2.07 -1.83 -0.21 116.25 124.31 3a6h h VAL 44 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3a6h h VAL 44 Cb 1.72 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3a6h h VAL 44 CO 0.36 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.45 3a6h n ASP 45 N -5.29 0.56 -0.12 0.57 8.00 -1.26 -1.45 116.55 117.56 3a6h n ASP 45 Ca 0.14 0.71 -0.25 0.00 0.71 0.00 0.00 54.79 56.10 3a6h n ASP 45 Cb 0.49 -0.80 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 3a6h n ASP 45 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3a6h n VAL 46 N -2.20 1.54 -0.10 2.53 0.31 -0.20 -4.07 118.33 116.13 3a6h n VAL 46 Ca -0.00 -0.36 -0.06 0.00 -0.01 0.00 0.00 64.34 63.91 3a6h n VAL 46 Cb 0.10 -1.83 0.02 0.00 -0.91 0.00 0.00 33.84 31.22 3a6h n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3a6h h LEU 47 N -0.75 0.09 0.36 7.52 3.38 -0.90 -2.40 115.31 122.61 3a6h h LEU 47 Ca -0.59 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 3a6h h LEU 47 Cb 1.63 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3a6h h LEU 47 CO -0.28 0.09 -0.17 -0.07 0.09 0.00 0.00 178.44 178.09 3a6h h LEU 48 N 0.24 -0.41 -1.60 1.67 3.38 -1.50 -1.26 115.31 115.83 3a6h h LEU 48 Ca 0.16 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3a6h h LEU 48 Cb 0.16 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3a6h h LEU 48 CO -0.19 -0.11 -0.21 1.55 0.09 0.00 0.00 178.44 179.57 3a6h h PRO 49 N -0.72 0.00 -0.33 1.13 0.13 -1.76 -1.53 132.00 128.92 3a6h h PRO 49 Ca -0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.98 3a6h h PRO 49 Cb 0.50 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 3a6h h PRO 49 CO 0.08 0.21 -0.20 1.15 -0.23 0.00 0.00 178.00 179.01 3a6h h THR 50 N 0.00 1.29 -0.58 1.56 2.02 -1.37 -0.25 112.91 115.57 3a6h h THR 50 Ca -0.00 -1.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.77 3a6h h THR 50 Cb 0.37 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3a6h h THR 50 CO 0.03 0.43 0.05 0.00 0.37 0.00 0.00 175.52 176.40 3a6h h ALA 51 N 0.76 0.99 -0.34 6.16 0.00 -0.85 -0.23 119.26 125.74 3a6h h ALA 51 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 3a6h h ALA 51 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3a6h h ALA 51 CO 0.06 0.63 -0.08 0.28 0.00 0.00 0.00 179.25 180.13 3a6h h VAL 52 N 0.91 1.28 -0.60 0.00 2.07 -1.22 -2.81 116.25 115.87 3a6h h VAL 52 Ca 0.18 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3a6h h VAL 52 Cb 0.46 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3a6h h VAL 52 CO 0.02 0.37 0.39 0.00 0.02 0.00 0.00 177.57 178.37 3a6h h LYS 54 N 0.78 -0.52 -0.62 0.00 3.64 -0.94 0.16 116.57 119.07 3a6h h LYS 54 Ca 0.23 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3a6h h LYS 54 Cb -0.06 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3a6h h LYS 54 CO -0.06 -0.34 0.34 0.00 -2.27 0.00 0.00 179.45 177.11 3a6h h ARG 55 N -0.54 0.87 -0.39 1.90 3.08 -1.37 -1.66 114.38 116.28 3a6h h ARG 55 Ca 0.04 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3a6h h ARG 55 Cb 0.58 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3a6h h ARG 55 CO -0.22 0.66 0.09 0.28 -1.07 0.00 0.00 179.97 179.72 3a6h h VAL 56 N 0.85 1.23 -0.67 2.04 2.07 -1.01 -2.54 116.25 118.23 3a6h h VAL 56 Ca 0.22 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3a6h h VAL 56 Cb 0.04 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3a6h h VAL 56 CO -0.04 0.27 0.44 0.00 0.02 0.00 0.00 177.57 178.27 3a6h h ALA 57 N 0.94 1.58 -0.17 1.67 0.00 -0.43 -1.19 119.26 121.65 3a6h h ALA 57 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3a6h h ALA 57 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3a6h h ALA 57 CO 0.00 0.37 -0.26 0.93 0.00 0.00 0.00 179.25 180.30 3a6h h GLU 58 N 0.85 0.32 0.07 0.00 5.08 -1.02 0.15 114.58 120.04 3a6h h GLU 58 Ca 0.25 -0.11 -0.28 0.00 -1.00 0.00 0.00 59.36 58.22 3a6h h GLU 58 Cb -0.02 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.23 3a6h h GLU 58 CO -0.06 0.56 -1.15 0.00 -1.00 0.00 0.00 179.01 177.36 3a6h h ARG 59 N 0.29 0.58 -0.20 2.33 3.08 -0.89 -3.35 114.38 116.22 3a6h h ARG 59 Ca 0.04 -0.73 0.00 0.00 0.07 0.00 0.00 59.98 59.37 3a6h h ARG 59 Cb 0.62 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3a6h h ARG 59 CO 0.04 1.31 0.00 0.44 -1.07 0.00 0.00 179.97 180.70 3a6h n ILE 60 N -3.78 0.31 -2.91 2.04 -5.35 -0.55 -4.99 119.36 104.14 3a6h n ILE 60 Ca -0.12 -0.66 -0.10 0.00 -0.27 0.00 0.00 62.75 61.61 3a6h n ILE 60 Cb 0.94 1.11 0.03 0.00 -1.74 0.00 0.00 39.64 39.99 3a6h n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a6h n GLY 61 N 1.12 0.29 3.91 3.28 0.00 0.37 -5.04 105.19 109.12 3a6h n GLY 61 Ca 0.14 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 3a6h n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6h s ALA 62 N -3.08 4.23 0.15 4.61 0.00 -0.37 -4.70 121.76 122.60 3a6h s ALA 62 Ca 0.23 -1.80 0.10 0.00 0.00 0.00 0.00 51.96 50.49 3a6h s ALA 62 Cb -0.10 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 3a6h s ALA 62 CO 0.29 -0.33 -0.19 -0.51 0.00 0.00 0.00 175.76 175.02 3a6h s LEU 63 N -4.23 2.63 -0.16 0.00 1.43 -0.43 -4.64 118.68 113.29 3a6h s LEU 63 Ca 0.48 -0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3a6h s LEU 63 Cb -0.04 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 3a6h s LEU 63 CO 0.28 0.15 -0.14 -0.69 0.23 0.00 0.00 176.35 176.18 3a6h s VAL 64 N -1.41 2.76 0.60 -1.59 1.01 0.23 -0.48 120.40 121.53 3a6h s VAL 64 Ca 0.20 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3a6h s VAL 64 Cb -0.09 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3a6h s VAL 64 CO 0.11 0.51 0.99 -0.04 0.00 0.00 0.00 175.10 176.67 3a6h s MET 65 N 0.79 3.51 0.24 2.72 1.00 0.92 -0.82 119.30 127.66 3a6h s MET 65 Ca -0.05 0.62 -0.31 0.00 0.00 0.00 0.00 55.69 55.94 3a6h s MET 65 Cb -0.15 -2.13 -0.12 0.00 0.00 0.00 0.00 34.83 32.43 3a6h s MET 65 CO 0.00 -0.55 1.67 -2.30 0.00 0.00 0.00 175.02 173.84 3a6h n PRO 66 N -2.69 2.73 -2.21 2.03 -0.02 -1.26 -4.51 135.00 129.08 3a6h n PRO 66 Ca 0.05 0.98 -0.33 0.00 -2.02 0.00 0.00 63.50 62.18 3a6h n PRO 66 Cb 0.55 -2.80 -0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3a6h n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3a6h s GLY 67 N 0.89 2.28 -0.24 -1.23 0.00 -1.26 -4.72 107.32 103.04 3a6h s GLY 67 Ca 0.71 0.49 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 3a6h s GLY 67 CO 0.39 0.82 1.09 1.08 0.00 0.00 0.00 173.10 176.47 3a6h s LEU 68 N -4.15 4.06 0.37 0.66 1.43 -0.35 -4.93 118.68 115.78 3a6h s LEU 68 Ca 0.65 1.34 0.20 0.00 -1.03 0.00 0.00 54.13 55.29 3a6h s LEU 68 Cb -0.17 -3.54 0.39 0.00 0.03 0.00 0.00 46.19 42.90 3a6h s LEU 68 CO 0.31 -0.75 1.60 1.56 0.23 0.00 0.00 176.35 179.30 3a6h h GLN 69 N 7.76 0.00 -5.58 1.70 1.08 -1.90 -1.01 115.11 117.17 3a6h h GLN 69 Ca -0.21 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.36 3a6h h GLN 69 Cb 1.07 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.18 3a6h h GLN 69 CO 0.99 0.29 -0.86 0.71 -0.95 0.00 0.00 178.83 179.00 3a6h s TYR 70 N -3.21 2.17 0.00 2.96 1.51 -1.26 -2.93 117.35 116.58 3a6h s TYR 70 Ca 0.04 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 3a6h s TYR 70 Cb 0.08 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.48 3a6h s TYR 70 CO 0.69 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 175.30 3a6h n GLY 71 N 3.17 4.41 3.78 0.71 0.00 -1.15 -4.78 105.19 111.33 3a6h n GLY 71 Ca -0.18 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.33 3a6h n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a6h s TYR 72 N -0.81 2.75 0.09 1.61 5.04 -1.26 -0.91 117.35 123.86 3a6h s TYR 72 Ca 0.00 1.52 -0.36 0.00 -2.44 0.00 0.00 57.07 55.78 3a6h s TYR 72 Cb 0.00 -3.02 -0.17 0.00 0.35 0.00 0.00 41.96 39.12 3a6h s TYR 72 CO 0.00 -1.59 1.32 1.63 -1.34 0.00 0.00 175.55 175.57 3a6h n LYS 73 N -3.14 1.12 -1.92 4.97 5.02 -1.24 -4.74 118.16 118.23 3a6h n LYS 73 Ca 0.09 0.40 -0.41 0.00 -2.02 0.00 0.00 58.31 56.37 3a6h n LYS 73 Cb 0.53 -2.03 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 3a6h n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a6h s SER 74 N 0.42 6.55 -0.09 4.39 0.15 -1.26 -4.89 113.70 118.97 3a6h s SER 74 Ca 0.83 2.77 -0.02 0.00 0.70 0.00 0.00 55.95 60.24 3a6h s SER 74 Cb -0.95 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 60.70 3a6h s SER 74 CO 0.48 -0.78 -0.01 -1.10 1.20 0.00 0.00 173.24 173.03 3a6h s GLN 75 N -0.43 3.05 0.21 5.44 -1.52 -1.26 -1.96 119.66 123.20 3a6h s GLN 75 Ca 0.61 -0.43 -0.16 0.00 -1.95 0.00 0.00 55.36 53.42 3a6h s GLN 75 Cb -0.44 -2.80 0.22 0.00 -0.22 0.00 0.00 33.01 29.78 3a6h s GLN 75 CO 0.45 0.64 1.59 0.37 -0.25 0.00 0.00 175.29 178.09 3a6h h GLN 76 N 5.37 -0.07 0.00 2.91 4.15 -1.90 0.39 115.11 125.96 3a6h h GLN 76 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3a6h h GLN 76 Cb 1.19 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3a6h h GLN 76 CO 0.55 -0.05 0.00 1.63 -1.93 0.00 0.00 178.83 179.04 3a6h n LYS 77 N -5.47 0.03 0.00 1.69 5.02 -1.26 -2.12 118.16 116.06 3a6h n LYS 77 Ca 0.08 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3a6h n LYS 77 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 3a6h n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3a6h n SER 78 N -1.47 3.58 0.00 4.39 3.41 -0.56 -4.82 113.62 118.15 3a6h n SER 78 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 3a6h n SER 78 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3a6h n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a6h n GLY 79 N 3.40 1.14 0.19 5.00 0.00 0.13 -4.57 105.19 110.47 3a6h n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a6h n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6h n GLY 80 N -0.30 3.05 0.00 -0.02 0.00 -0.90 -4.84 105.19 102.19 3a6h n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a6h n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6h n GLY 81 N -0.30 3.45 0.52 -0.02 0.00 -1.22 -4.41 105.19 103.21 3a6h n GLY 81 Ca 0.00 -1.70 0.01 0.00 0.00 0.00 0.00 46.02 44.34 3a6h n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3a6h n ASN 82 N 0.00 1.29 0.03 1.61 5.15 -0.83 -3.58 115.26 118.94 3a6h n ASN 82 Ca 0.00 -2.09 0.12 0.00 -0.60 0.00 0.00 54.58 52.01 3a6h n ASN 82 Cb 0.00 -0.36 0.12 0.00 -0.53 0.00 0.00 39.78 39.01 3a6h n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3a6h n HIS 83 N -0.01 0.27 -2.32 1.20 1.44 -1.26 -4.93 115.22 109.61 3a6h n HIS 83 Ca 0.04 0.08 -0.38 0.00 -2.01 0.00 0.00 57.72 55.45 3a6h n HIS 83 Cb 0.28 -0.43 -0.02 0.00 0.12 0.00 0.00 29.99 29.94 3a6h n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3a6h s PHE 84 N -3.13 3.03 0.80 -1.40 0.40 -1.23 -5.02 117.98 111.42 3a6h s PHE 84 Ca 0.07 1.56 -0.12 0.00 -0.60 0.00 0.00 56.93 57.84 3a6h s PHE 84 Cb 0.15 -3.35 0.07 0.00 0.51 0.00 0.00 43.02 40.40 3a6h s PHE 84 CO 0.75 -1.28 1.10 -1.25 0.70 0.00 0.00 175.22 175.24 3a6h s PRO 85 N -2.47 2.08 0.00 0.24 0.04 -1.26 -3.76 135.00 129.87 3a6h s PRO 85 Ca 0.59 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3a6h s PRO 85 Cb -0.29 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3a6h s PRO 85 CO 0.36 -1.60 0.00 0.41 0.04 0.00 0.00 177.00 176.20 3a6h n GLY 86 N -2.29 2.10 3.68 0.56 0.00 -1.26 -4.71 105.19 103.27 3a6h n GLY 86 Ca 0.07 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.32 3a6h n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a6h n THR 87 N 0.00 0.31 -3.86 2.61 -1.04 -1.25 -4.69 114.28 106.36 3a6h n THR 87 Ca 0.00 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.65 3a6h n THR 87 Cb 0.00 -1.86 -0.15 0.00 -1.82 0.00 0.00 70.33 66.50 3a6h n THR 87 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3a6h s THR 88 N 2.53 1.37 0.12 12.58 2.01 -0.40 -4.98 115.64 128.88 3a6h s THR 88 Ca 0.84 -1.51 0.05 0.00 0.31 0.00 0.00 61.69 61.38 3a6h s THR 88 Cb -0.61 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 3a6h s THR 88 CO 0.42 -0.46 0.05 -0.44 -0.69 0.00 0.00 174.62 173.50 3a6h s SER 89 N 1.40 5.17 0.28 3.53 0.01 -1.26 -4.42 113.70 118.42 3a6h s SER 89 Ca 0.05 -0.18 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3a6h s SER 89 Cb -0.18 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.75 3a6h s SER 89 CO -0.14 0.13 0.44 -0.76 0.41 0.00 0.00 173.24 173.32 3a6h s LEU 90 N -2.65 4.18 0.65 2.44 1.43 -0.09 -4.86 118.68 119.78 3a6h s LEU 90 Ca 0.28 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 3a6h s LEU 90 Cb -0.11 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 3a6h s LEU 90 CO 0.20 -0.17 1.04 -1.81 0.23 0.00 0.00 176.35 175.85 3a6h s ASP 91 N -3.94 5.83 0.18 2.29 -0.00 -1.26 -3.59 116.67 116.18 3a6h s ASP 91 Ca 0.37 1.55 -0.13 0.00 -0.00 0.00 0.00 52.55 54.34 3a6h s ASP 91 Cb -0.09 -2.49 0.11 0.00 -0.00 0.00 0.00 42.92 40.45 3a6h s ASP 91 CO 0.32 -1.14 1.82 1.23 -0.00 0.00 0.00 175.17 177.41 3a6h h GLY 92 N -0.38 0.78 1.67 0.21 0.00 -1.98 -2.33 103.07 101.04 3a6h h GLY 92 Ca -0.44 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 46.64 3a6h h GLY 92 CO 0.59 0.22 0.22 0.00 0.00 0.00 0.00 176.54 177.57 3a6h h ALA 93 N 1.24 1.78 -0.03 3.60 0.00 -1.99 -0.30 119.26 123.56 3a6h h ALA 93 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3a6h h ALA 93 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3a6h h ALA 93 CO -0.09 0.21 -0.00 1.15 0.00 0.00 0.00 179.25 180.51 3a6h h THR 94 N 0.44 1.27 -0.36 0.00 2.02 -1.81 -0.42 112.91 114.05 3a6h h THR 94 Ca 0.12 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 3a6h h THR 94 Cb -0.04 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3a6h h THR 94 CO -0.03 0.22 0.02 0.25 0.37 0.00 0.00 175.52 176.36 3a6h h LEU 95 N -0.27 0.61 -0.40 2.58 5.85 -1.21 -1.59 115.31 120.89 3a6h h LEU 95 Ca 0.01 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.49 3a6h h LEU 95 Cb 0.36 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3a6h h LEU 95 CO 0.00 0.75 0.13 0.74 -0.34 0.00 0.00 178.44 179.72 3a6h h THR 96 N 0.45 0.86 -0.71 1.05 2.02 -1.05 -2.33 112.91 113.20 3a6h h THR 96 Ca 0.11 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3a6h h THR 96 Cb 0.43 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 3a6h h THR 96 CO 0.01 0.05 0.35 1.23 0.37 0.00 0.00 175.52 177.54 3a6h h GLY 97 N 0.28 1.07 0.98 2.16 0.00 -0.88 -1.68 103.07 104.99 3a6h h GLY 97 Ca 0.19 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3a6h h GLY 97 CO -0.21 0.48 0.15 -0.84 0.00 0.00 0.00 176.54 176.12 3a6h h THR 98 N 1.00 1.24 -0.33 4.70 2.02 -0.78 -0.25 112.91 120.50 3a6h h THR 98 Ca 0.25 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 3a6h h THR 98 Cb 0.08 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3a6h h THR 98 CO -0.03 0.30 -0.03 0.58 0.37 0.00 0.00 175.52 176.70 3a6h h VAL 99 N 0.71 1.27 -0.40 3.16 2.07 -1.26 -2.38 116.25 119.41 3a6h h VAL 99 Ca 0.16 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3a6h h VAL 99 Cb 0.30 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3a6h h VAL 99 CO -0.00 0.34 0.25 -0.61 0.02 0.00 0.00 177.57 177.57 3a6h h GLN 100 N 0.39 0.54 -0.51 1.57 4.15 -1.16 -2.13 115.11 117.97 3a6h h GLN 100 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3a6h h GLN 100 Cb 0.50 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 3a6h h GLN 100 CO 0.02 0.38 0.27 -0.44 -1.93 0.00 0.00 178.83 177.13 3a6h h ASP 101 N 0.54 0.65 -0.50 -0.69 3.32 -0.98 -1.90 116.42 116.85 3a6h h ASP 101 Ca 0.15 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3a6h h ASP 101 Cb -0.03 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3a6h h ASP 101 CO -0.03 0.56 0.26 0.40 -1.72 0.00 0.00 179.24 178.72 3a6h h ILE 102 N 0.68 1.18 -0.74 0.35 2.04 -1.28 -1.46 117.51 118.29 3a6h h ILE 102 Ca 0.18 -0.49 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3a6h h ILE 102 Cb 0.07 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3a6h h ILE 102 CO -0.03 0.20 0.38 0.40 0.00 0.00 0.00 178.15 179.10 3a6h h ILE 103 N 0.67 1.23 -0.65 -0.67 2.04 -1.22 0.50 117.51 119.40 3a6h h ILE 103 Ca 0.18 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.45 3a6h h ILE 103 Cb 0.08 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 3a6h h ILE 103 CO -0.03 0.27 0.39 -0.09 0.00 0.00 0.00 178.15 178.69 3a6h h ARG 104 N 1.03 0.74 -0.41 2.37 2.43 -1.02 -1.20 114.38 118.32 3a6h h ARG 104 Ca 0.26 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3a6h h ARG 104 Cb 0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3a6h h ARG 104 CO -0.04 0.49 -0.22 0.93 -1.51 0.00 0.00 179.97 179.62 3a6h h GLU 105 N 0.76 0.88 -0.80 0.20 4.39 -0.66 -2.15 114.58 117.20 3a6h h GLU 105 Ca 0.27 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3a6h h GLU 105 Cb 0.05 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3a6h h GLU 105 CO -0.12 1.04 0.39 -0.07 -1.16 0.00 0.00 179.01 179.08 3a6h h LEU 106 N 0.69 1.04 -0.98 1.33 3.38 -0.60 -1.54 115.31 118.64 3a6h h LEU 106 Ca 0.09 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3a6h h LEU 106 Cb 0.79 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3a6h h LEU 106 CO 0.06 0.87 -0.08 0.00 0.09 0.00 0.00 178.44 179.39 3a6h h ALA 107 N 1.29 1.15 -0.77 1.53 0.00 -1.14 -0.98 119.26 120.34 3a6h h ALA 107 Ca 0.28 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3a6h h ALA 107 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3a6h h ALA 107 CO -0.04 0.54 0.33 -0.09 0.00 0.00 0.00 179.25 179.99 3a6h h ARG 108 N 0.60 1.12 0.00 0.00 2.43 -0.66 -1.99 114.38 115.89 3a6h h ARG 108 Ca 0.11 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3a6h h ARG 108 Cb 0.50 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3a6h h ARG 108 CO 0.03 0.89 -0.15 0.45 -1.51 0.00 0.00 179.97 179.68 3a6h h HIS 109 N 1.10 0.00 0.00 2.20 3.86 -0.78 -3.46 115.15 118.07 3a6h h HIS 109 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3a6h h HIS 109 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3a6h h HIS 109 CO 0.02 0.15 0.00 0.41 0.86 0.00 0.00 177.93 179.37 3a6h n GLY 110 N -0.70 0.84 3.79 2.45 0.00 -0.75 -4.98 105.19 105.84 3a6h n GLY 110 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3a6h n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a6h s ALA 111 N -2.00 2.81 0.00 4.61 0.00 -0.42 -4.96 121.76 121.80 3a6h s ALA 111 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3a6h s ALA 111 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3a6h s ALA 111 CO 0.00 -0.47 0.00 0.54 0.00 0.00 0.00 175.76 175.83 3a6h n ARG 112 N -1.16 0.00 -3.92 0.00 5.12 -1.26 -4.10 116.66 111.34 3a6h n ARG 112 Ca 0.10 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.73 3a6h n ARG 112 Cb 0.52 -0.46 -0.16 0.00 -1.16 0.00 0.00 32.46 31.20 3a6h n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3a6h s ARG 113 N 0.00 1.60 -0.02 5.56 0.52 -1.26 -0.78 118.95 124.57 3a6h s ARG 113 Ca 0.00 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 3a6h s ARG 113 Cb 0.00 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3a6h s ARG 113 CO 0.00 -0.38 -0.09 -1.17 0.02 0.00 0.00 175.30 173.68 3a6h s LEU 114 N 1.61 1.83 -0.19 2.53 2.96 -0.71 -1.29 118.68 125.40 3a6h s LEU 114 Ca 0.02 -0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3a6h s LEU 114 Cb -0.15 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.03 3a6h s LEU 114 CO -0.08 0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.21 3a6h s VAL 115 N 0.12 2.77 -0.32 1.68 1.01 0.61 -0.88 120.40 125.39 3a6h s VAL 115 Ca -0.02 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 3a6h s VAL 115 Cb -0.07 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3a6h s VAL 115 CO 0.00 0.48 0.18 -0.76 0.00 0.00 0.00 175.10 175.00 3a6h s LEU 116 N 1.30 4.21 -0.39 3.92 1.02 -0.02 -0.10 118.68 128.62 3a6h s LEU 116 Ca 0.04 -0.45 -0.11 0.00 0.02 0.00 0.00 54.13 53.63 3a6h s LEU 116 Cb -0.14 -2.05 0.04 0.00 0.02 0.00 0.00 46.19 44.06 3a6h s LEU 116 CO -0.07 -0.19 0.23 -0.32 0.02 0.00 0.00 176.35 176.02 3a6h s MET 117 N 1.66 2.77 0.13 1.70 1.75 -0.25 -1.77 119.30 125.29 3a6h s MET 117 Ca 0.05 -1.19 -0.23 0.00 -1.25 0.00 0.00 55.69 53.07 3a6h s MET 117 Cb -0.17 -3.77 -0.07 0.00 2.84 0.00 0.00 34.83 33.66 3a6h s MET 117 CO 0.08 -0.78 0.69 1.21 -0.65 0.00 0.00 175.02 175.56 3a6h s ASN 118 N 1.75 7.25 0.00 1.11 2.47 -0.34 -1.17 114.94 126.01 3a6h s ASN 118 Ca 0.02 1.48 0.00 0.00 0.42 0.00 0.00 52.86 54.78 3a6h s ASN 118 Cb -0.20 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 3a6h s ASN 118 CO 0.06 0.24 0.59 0.61 -3.72 0.00 0.00 177.10 174.87 3a6h n GLY 119 N 1.64 0.06 2.78 1.21 0.00 -0.48 -3.93 105.19 106.47 3a6h n GLY 119 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3a6h n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a6h s HIS 120 N -0.30 1.62 0.27 1.61 5.65 -1.25 -4.65 115.29 118.23 3a6h s HIS 120 Ca 0.00 -1.41 -0.06 0.00 0.25 0.00 0.00 55.06 53.84 3a6h s HIS 120 Cb 0.00 -1.43 0.49 0.00 -1.18 0.00 0.00 32.58 30.46 3a6h s HIS 120 CO 0.00 -0.75 1.59 -0.92 -0.65 0.00 0.00 174.74 174.01 3a6h h TYR 121 N 8.11 -0.27 0.00 3.88 3.20 -1.96 -0.56 116.97 129.38 3a6h h TYR 121 Ca -0.15 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3a6h h TYR 121 Cb 1.07 0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.60 3a6h h TYR 121 CO 0.36 -0.36 0.00 0.39 -1.64 0.00 0.00 178.16 176.91 3a6h n GLU 122 N -5.50 0.12 0.10 1.82 4.71 -1.26 -2.42 120.64 118.21 3a6h n GLU 122 Ca 0.16 0.60 -0.04 0.00 -0.01 0.00 0.00 57.16 57.87 3a6h n GLU 122 Cb 0.53 -1.87 0.06 0.00 -1.01 0.00 0.00 31.44 29.15 3a6h n GLU 122 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 3a6h h ASN 123 N 0.00 0.07 -0.11 1.62 2.35 -1.41 -3.42 115.58 114.68 3a6h h ASN 123 Ca 0.00 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3a6h h ASN 123 Cb 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3a6h h ASN 123 CO 0.00 0.81 -0.06 -1.20 -1.65 0.00 0.00 177.43 175.32 3a6h n SER 124 N -3.66 -0.12 0.24 5.81 7.64 -1.01 -1.86 113.62 120.65 3a6h n SER 124 Ca -0.01 0.53 0.10 0.00 1.01 0.00 0.00 58.87 60.50 3a6h n SER 124 Cb 0.74 -0.19 0.57 0.00 -1.01 0.00 0.00 64.21 64.32 3a6h n SER 124 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3a6h h MET 125 N 0.00 0.00 0.00 1.43 2.86 -1.86 -1.19 114.93 116.17 3a6h h MET 125 Ca 0.02 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.50 3a6h h MET 125 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3a6h h MET 125 CO -0.10 0.20 -0.76 0.74 1.06 0.00 0.00 176.91 178.04 3a6h h PHE 126 N 0.00 0.00 -0.28 -0.22 -1.00 -1.66 -1.14 116.94 112.64 3a6h h PHE 126 Ca -0.00 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 3a6h h PHE 126 Cb 0.56 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.12 3a6h h PHE 126 CO 0.00 0.74 -0.30 0.82 -1.61 0.00 0.00 178.31 177.97 3a6h h ILE 127 N 0.00 1.30 -0.62 -0.55 2.04 -0.91 -1.17 117.51 117.60 3a6h h ILE 127 Ca -0.01 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.38 3a6h h ILE 127 Cb 1.58 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 3a6h h ILE 127 CO 0.10 0.47 0.37 0.58 0.00 0.00 0.00 178.15 179.66 3a6h h VAL 128 N 0.43 1.18 -0.33 1.67 2.07 -1.08 -1.58 116.25 118.62 3a6h h VAL 128 Ca 0.04 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 3a6h h VAL 128 Cb 0.87 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3a6h h VAL 128 CO 0.07 0.19 -0.28 -0.08 0.02 0.00 0.00 177.57 177.49 3a6h h GLU 129 N 0.84 0.67 -0.65 1.57 4.57 -1.10 -1.61 114.58 118.87 3a6h h GLU 129 Ca 0.22 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3a6h h GLU 129 Cb -0.02 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 3a6h h GLU 129 CO -0.04 0.88 0.37 0.78 -1.18 0.00 0.00 179.01 179.81 3a6h h GLY 130 N 0.99 0.97 0.90 1.92 0.00 -0.82 -0.61 103.07 106.41 3a6h h GLY 130 Ca 0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3a6h h GLY 130 CO 0.06 0.41 0.09 -2.22 0.00 0.00 0.00 176.54 174.89 3a6h h ILE 131 N 0.89 1.19 -0.40 2.60 2.04 -1.08 -1.76 117.51 120.98 3a6h h ILE 131 Ca 0.23 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3a6h h ILE 131 Cb 0.02 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3a6h h ILE 131 CO -0.04 0.20 0.22 -0.78 0.00 0.00 0.00 178.15 177.75 3a6h h ASP 132 N 0.28 0.51 -0.68 1.72 1.82 -1.00 -0.32 116.42 118.75 3a6h h ASP 132 Ca 0.09 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 3a6h h ASP 132 Cb 0.23 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 3a6h h ASP 132 CO -0.00 0.45 0.26 -0.07 -1.61 0.00 0.00 179.24 178.27 3a6h h LEU 133 N 0.52 0.97 -0.14 2.28 3.38 -1.06 -1.03 115.31 120.23 3a6h h LEU 133 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3a6h h LEU 133 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3a6h h LEU 133 CO -0.02 0.88 0.01 0.00 0.09 0.00 0.00 178.44 179.39 3a6h h ALA 134 N 1.25 0.18 0.00 1.53 0.00 -1.02 -2.58 119.26 118.63 3a6h h ALA 134 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3a6h h ALA 134 Cb 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3a6h h ALA 134 CO -0.02 -0.13 -0.17 -0.07 0.00 0.00 0.00 179.25 178.87 3a6h h LEU 135 N -0.02 0.00 -0.25 0.00 3.38 -0.87 -1.29 115.31 116.26 3a6h h LEU 135 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3a6h h LEU 135 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3a6h h LEU 135 CO 0.01 0.17 0.04 -0.09 0.09 0.00 0.00 178.44 178.66 3a6h h ARG 136 N 0.00 0.42 -0.64 1.13 2.43 -0.98 -2.31 114.38 114.42 3a6h h ARG 136 Ca -0.00 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 58.99 3a6h h ARG 136 Cb 0.32 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 3a6h h ARG 136 CO 0.02 0.54 0.15 0.93 -1.51 0.00 0.00 179.97 180.11 3a6h h GLU 137 N 0.23 1.02 -0.51 0.20 5.08 -1.01 -2.67 114.58 116.91 3a6h h GLU 137 Ca 0.08 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3a6h h GLU 137 Cb 0.32 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3a6h h GLU 137 CO 0.00 0.93 0.26 -0.07 -1.00 0.00 0.00 179.01 179.13 3a6h h LEU 138 N 0.94 0.64 -0.53 1.33 3.38 -1.15 -1.39 115.31 118.53 3a6h h LEU 138 Ca 0.20 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3a6h h LEU 138 Cb 0.36 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3a6h h LEU 138 CO 0.00 0.54 -0.03 0.03 0.09 0.00 0.00 178.44 179.07 3a6h h ARG 139 N 0.72 0.95 0.00 1.13 3.08 -1.19 0.68 114.38 119.75 3a6h h ARG 139 Ca 0.18 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3a6h h ARG 139 Cb 0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3a6h h ARG 139 CO -0.03 0.98 -0.10 1.88 -1.07 0.00 0.00 179.97 181.63 3a6h h TYR 140 N 0.82 0.00 -0.52 3.04 0.05 -1.03 -0.49 116.97 118.84 3a6h h TYR 140 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3a6h h TYR 140 Cb 0.57 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.31 3a6h h TYR 140 CO 0.04 0.10 0.00 0.00 -1.05 0.00 0.00 178.16 177.26 3a6h n ALA 141 N -2.38 2.50 -1.02 3.88 0.00 -0.60 -4.93 120.51 117.96 3a6h n ALA 141 Ca -0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 53.44 52.45 3a6h n ALA 141 Cb 0.19 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 3a6h n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a6h n GLY 142 N 1.27 0.48 3.33 0.00 0.00 -0.19 -5.03 105.19 105.04 3a6h n GLY 142 Ca 0.18 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 3a6h n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a6h s ILE 143 N -2.00 3.57 -0.04 -0.61 1.01 0.23 -4.95 121.20 118.41 3a6h s ILE 143 Ca 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 60.65 60.21 3a6h s ILE 143 Cb 0.00 -2.67 0.08 0.00 0.01 0.00 0.00 42.46 39.88 3a6h s ILE 143 CO 0.00 0.35 0.93 0.00 0.00 0.00 0.00 174.94 176.22 3a6h n GLN 144 N 4.82 0.96 -0.39 2.79 6.02 -1.26 -3.03 117.38 127.29 3a6h n GLN 144 Ca -0.17 -1.42 0.08 0.00 -0.01 0.00 0.00 57.00 55.48 3a6h n GLN 144 Cb 0.50 -0.87 0.24 0.00 1.02 0.00 0.00 30.24 31.13 3a6h n GLN 144 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3a6h n ASP 145 N -0.49 3.70 -4.65 1.08 3.85 -1.26 -4.94 116.55 113.84 3a6h n ASP 145 Ca 0.04 -2.65 -0.41 0.00 -0.71 0.00 0.00 54.79 51.07 3a6h n ASP 145 Cb 0.55 -0.45 -0.06 0.00 -1.35 0.00 0.00 41.12 39.81 3a6h n ASP 145 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3a6h s PHE 146 N -2.17 3.34 -0.06 2.11 2.19 -1.26 -4.86 117.98 117.27 3a6h s PHE 146 Ca 0.37 0.94 0.04 0.00 0.33 0.00 0.00 56.93 58.61 3a6h s PHE 146 Cb 0.27 -2.86 -0.02 0.00 -1.31 0.00 0.00 43.02 39.11 3a6h s PHE 146 CO 0.12 -0.25 -0.18 0.21 1.83 0.00 0.00 175.22 176.95 3a6h s LYS 147 N 2.23 2.61 -0.06 10.12 2.20 0.04 -5.03 119.74 131.85 3a6h s LYS 147 Ca 0.29 -0.78 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 3a6h s LYS 147 Cb -0.16 -2.32 -0.00 0.00 -1.51 0.00 0.00 37.83 33.84 3a6h s LYS 147 CO 0.10 0.48 -0.19 0.08 -0.36 0.00 0.00 175.35 175.46 3a6h s VAL 148 N -0.39 1.57 -0.18 4.02 1.01 -1.26 -1.74 120.40 123.43 3a6h s VAL 148 Ca 0.04 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3a6h s VAL 148 Cb -0.12 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 3a6h s VAL 148 CO 0.02 0.45 -0.09 -0.69 0.00 0.00 0.00 175.10 174.79 3a6h s VAL 149 N 0.15 3.17 -0.09 2.92 1.01 -0.06 -5.00 120.40 122.50 3a6h s VAL 149 Ca -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.33 3a6h s VAL 149 Cb -0.13 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3a6h s VAL 149 CO 0.04 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 3a6h s VAL 150 N 1.04 3.34 0.06 2.92 1.01 -1.26 -0.84 120.40 126.67 3a6h s VAL 150 Ca -0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 3a6h s VAL 150 Cb -0.15 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.93 3a6h s VAL 150 CO -0.01 0.56 0.60 -1.48 0.00 0.00 0.00 175.10 174.78 3a6h s LEU 151 N -0.35 -0.45 -0.22 3.92 0.05 -0.73 -4.98 118.68 115.92 3a6h s LEU 151 Ca 0.04 0.29 -0.05 0.00 0.05 0.00 0.00 54.13 54.46 3a6h s LEU 151 Cb -0.12 2.44 -0.01 0.00 -2.05 0.00 0.00 46.19 46.44 3a6h s LEU 151 CO 0.02 -0.78 -0.01 -0.44 -0.55 0.00 0.00 176.35 174.59 3a6h s SER 152 N -2.00 4.54 0.36 1.48 0.01 -1.26 -1.20 113.70 115.62 3a6h s SER 152 Ca -0.05 -0.33 0.13 0.00 1.31 0.00 0.00 55.95 57.01 3a6h s SER 152 Cb -0.01 -1.79 0.95 0.00 0.21 0.00 0.00 66.02 65.38 3a6h s SER 152 CO -0.02 -0.02 1.78 0.10 0.41 0.00 0.00 173.24 175.50 3a6h h TYR 153 N 8.08 0.83 -0.26 2.43 -0.00 -1.95 -1.20 116.97 124.91 3a6h h TYR 153 Ca -0.40 0.03 0.02 0.00 0.00 0.00 0.00 58.73 58.38 3a6h h TYR 153 Cb 1.17 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 37.64 3a6h h TYR 153 CO 0.61 0.14 0.17 0.00 -0.00 0.00 0.00 178.16 179.08 3a6h h ALA 154 N 1.64 1.93 0.00 0.10 0.00 -1.95 -2.29 119.26 118.69 3a6h h ALA 154 Ca 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3a6h h ALA 154 Cb 1.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3a6h h ALA 154 CO -0.33 0.03 0.03 -0.25 0.00 0.00 0.00 179.25 178.74 3a6h n ASP 155 N -4.50 0.21 -0.59 0.00 8.00 -0.45 -1.19 116.55 118.03 3a6h n ASP 155 Ca 0.02 0.57 0.10 0.00 0.71 0.00 0.00 54.79 56.19 3a6h n ASP 155 Cb 0.15 -0.59 0.35 0.00 -0.02 0.00 0.00 41.12 41.00 3a6h n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3a6h n PHE 156 N -1.76 0.25 -3.51 1.24 3.01 -0.86 -4.48 117.46 111.34 3a6h n PHE 156 Ca -0.01 -0.12 -0.37 0.00 1.01 0.00 0.00 57.45 57.96 3a6h n PHE 156 Cb 0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.47 3a6h n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3a6h n VAL 157 N 0.39 3.45 0.01 -4.37 0.31 -0.33 -4.71 118.33 113.09 3a6h n VAL 157 Ca 0.16 -5.25 0.00 0.00 -0.01 0.00 0.00 64.34 59.24 3a6h n VAL 157 Cb 0.34 -2.36 -0.01 0.00 -0.91 0.00 0.00 33.84 30.90 3a6h n VAL 157 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3a6h n LYS 158 N 2.14 1.51 -1.62 5.55 2.85 -1.26 -4.93 118.16 122.39 3a6h n LYS 158 Ca 0.23 -0.01 -0.53 0.00 -1.05 0.00 0.00 58.31 56.95 3a6h n LYS 158 Cb 0.37 -0.92 -0.07 0.00 -0.65 0.00 0.00 35.03 33.77 3a6h n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 3a6h n ASP 159 N -1.42 2.56 -0.28 -5.58 4.64 -1.26 -4.82 116.55 110.38 3a6h n ASP 159 Ca -0.00 0.85 0.10 0.00 -1.38 0.00 0.00 54.79 54.36 3a6h n ASP 159 Cb 0.02 -1.23 0.25 0.00 -1.04 0.00 0.00 41.12 39.12 3a6h n ASP 159 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3a6h h PRO 160 N 9.24 0.38 -0.83 -0.67 0.11 -1.99 0.92 132.00 139.16 3a6h h PRO 160 Ca -0.41 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.70 3a6h h PRO 160 Cb 1.31 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 3a6h h PRO 160 CO 0.98 0.25 0.54 0.00 -0.21 0.00 0.00 178.00 179.56 3a6h h ALA 161 N 1.65 1.08 -0.27 -0.75 0.00 -2.00 0.50 119.26 119.48 3a6h h ALA 161 Ca 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.32 3a6h h ALA 161 Cb 0.88 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3a6h h ALA 161 CO -0.50 0.39 0.01 0.28 0.00 0.00 0.00 179.25 179.43 3a6h h VAL 162 N 1.07 1.25 -0.96 0.00 2.07 -1.24 -2.42 116.25 116.01 3a6h h VAL 162 Ca 0.32 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3a6h h VAL 162 Cb -0.03 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3a6h h VAL 162 CO -0.10 0.29 0.62 0.40 0.02 0.00 0.00 177.57 178.80 3a6h h ILE 163 N 0.26 1.11 -0.47 4.57 1.08 -0.73 -0.72 117.51 122.61 3a6h h ILE 163 Ca 0.08 -0.40 0.06 0.00 -0.39 0.00 0.00 64.86 64.20 3a6h h ILE 163 Cb 0.41 -0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 33.96 3a6h h ILE 163 CO 0.01 0.21 0.19 1.56 -0.69 0.00 0.00 178.15 179.44 3a6h h GLN 164 N 1.16 0.37 0.09 2.37 1.08 -0.63 0.34 115.11 119.89 3a6h h GLN 164 Ca 0.40 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.58 3a6h h GLN 164 Cb 0.10 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3a6h h GLN 164 CO -0.15 0.24 -0.04 1.96 -0.95 0.00 0.00 178.83 179.89 3a6h h GLN 165 N 0.38 -0.11 -0.38 1.46 1.08 -0.80 -1.94 115.11 114.80 3a6h h GLN 165 Ca 0.22 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.36 3a6h h GLN 165 Cb 0.19 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3a6h h GLN 165 CO -0.20 -0.01 -0.06 -0.07 -0.95 0.00 0.00 178.83 177.54 3a6h h LEU 166 N -0.19 0.61 -6.13 1.46 3.38 -0.81 -3.34 115.31 110.29 3a6h h LEU 166 Ca -0.01 -0.15 -0.58 0.00 0.09 0.00 0.00 57.88 57.22 3a6h h LEU 166 Cb 0.16 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 40.34 3a6h h LEU 166 CO 0.02 0.72 -0.82 -1.22 0.09 0.00 0.00 178.44 177.23 3a6h n TYR 167 N -4.21 1.85 0.26 1.13 4.02 0.12 -4.92 117.16 115.40 3a6h n TYR 167 Ca 0.01 -3.89 0.17 0.00 -0.01 0.00 0.00 57.90 54.19 3a6h n TYR 167 Cb 0.31 -0.46 0.92 0.00 -0.02 0.00 0.00 39.34 40.09 3a6h n TYR 167 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3a6h h PRO 168 N 4.15 0.00 -0.01 -0.72 0.13 -1.48 0.25 132.00 134.32 3a6h h PRO 168 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3a6h h PRO 168 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3a6h h PRO 168 CO 0.67 0.00 -0.28 0.39 -0.23 0.00 0.00 178.00 178.54 3a6h n GLU 169 N -3.62 0.62 0.00 0.86 -0.58 -1.26 -5.02 120.64 111.64 3a6h n GLU 169 Ca -0.01 -0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.39 3a6h n GLU 169 Cb 0.22 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 3a6h n GLU 169 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a6h n GLY 170 N 1.37 3.31 3.73 0.62 0.00 0.88 -5.07 105.19 110.03 3a6h n GLY 170 Ca 0.11 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 3a6h n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3a6h s PHE 171 N -1.43 3.47 -1.79 1.61 5.36 -1.26 -4.85 117.98 119.09 3a6h s PHE 171 Ca 0.00 0.62 0.21 0.00 -0.96 0.00 0.00 56.93 56.81 3a6h s PHE 171 Cb 0.00 -2.36 0.64 0.00 -0.34 0.00 0.00 43.02 40.96 3a6h s PHE 171 CO 0.00 0.24 1.54 1.28 -1.46 0.00 0.00 175.22 176.81 3a6h n LEU 172 N 3.57 4.02 0.00 6.12 4.77 -1.26 -5.07 117.00 129.16 3a6h n LEU 172 Ca -0.11 -2.07 0.00 0.00 -0.03 0.00 0.00 56.01 53.80 3a6h n LEU 172 Cb 0.52 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3a6h n LEU 172 CO 0.40 0.95 0.00 0.61 -1.33 0.00 0.00 177.39 178.02 3a6h n GLY 173 N 1.51 2.32 0.17 -0.72 0.00 -1.26 -4.81 105.19 102.41 3a6h n GLY 173 Ca 0.24 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.53 3a6h n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3a6h h TRP 174 N 0.00 0.00 -0.25 1.61 4.06 -1.99 -3.33 115.95 116.05 3a6h h TRP 174 Ca 0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 3a6h h TRP 174 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 3a6h h TRP 174 CO 0.00 0.00 0.20 -0.44 -3.56 0.00 0.00 178.44 174.64 3a6h h ASP 175 N 0.00 0.00 -0.64 -3.49 3.32 -1.94 -1.26 116.42 112.40 3a6h h ASP 175 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a6h h ASP 175 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3a6h h ASP 175 CO 0.00 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 3a6h n ILE 176 N -4.29 1.23 -1.53 0.35 -5.35 -1.25 -4.71 119.36 103.80 3a6h n ILE 176 Ca 0.03 -1.07 -0.34 0.00 -0.27 0.00 0.00 62.75 61.10 3a6h n ILE 176 Cb 0.35 0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 38.60 3a6h n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3a6h n GLU 177 N 1.30 3.64 -3.85 6.28 -0.58 -0.48 -3.04 120.64 123.92 3a6h n GLU 177 Ca 0.23 -2.51 -0.35 0.00 -0.42 0.00 0.00 57.16 54.10 3a6h n GLU 177 Cb 0.66 -2.55 -0.13 0.00 -0.57 0.00 0.00 31.44 28.85 3a6h n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3a6h s HIS 178 N 0.34 3.42 -0.87 -0.32 5.65 -1.26 -4.50 115.29 117.75 3a6h s HIS 178 Ca 0.63 -2.10 0.00 0.00 0.25 0.00 0.00 55.06 53.84 3a6h s HIS 178 Cb 0.23 -2.61 0.00 0.00 -1.18 0.00 0.00 32.58 29.02 3a6h s HIS 178 CO -0.08 -0.87 0.00 0.41 -0.65 0.00 0.00 174.74 173.54 3a6h n GLY 179 N 4.61 0.85 0.00 1.59 0.00 -1.26 -2.67 105.19 108.32 3a6h n GLY 179 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3a6h n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6h n GLY 180 N -1.78 1.54 0.16 -0.02 0.00 -1.26 -4.38 105.19 99.46 3a6h n GLY 180 Ca -0.09 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 3a6h n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3a6h h VAL 181 N 0.00 0.80 0.46 1.61 2.07 -1.86 -2.54 116.25 116.78 3a6h h VAL 181 Ca 0.00 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3a6h h VAL 181 Cb 0.00 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3a6h h VAL 181 CO 0.00 0.04 -0.45 0.15 0.02 0.00 0.00 177.57 177.33 3a6h h PHE 182 N 0.20 -1.24 -0.44 1.57 3.04 -1.94 0.08 116.94 118.21 3a6h h PHE 182 Ca 0.19 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 62.02 3a6h h PHE 182 Cb 0.22 0.48 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 3a6h h PHE 182 CO -0.20 -0.60 -0.23 0.93 -2.02 0.00 0.00 178.31 176.18 3a6h h GLU 183 N -0.91 0.90 -0.84 1.11 5.08 -1.88 -2.36 114.58 115.68 3a6h h GLU 183 Ca -0.06 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 3a6h h GLU 183 Cb 0.78 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 3a6h h GLU 183 CO -0.05 1.04 0.40 1.15 -1.00 0.00 0.00 179.01 180.55 3a6h h THR 184 N 0.78 1.26 -0.50 1.13 2.02 -1.43 -0.46 112.91 115.70 3a6h h THR 184 Ca 0.10 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 3a6h h THR 184 Cb 0.79 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3a6h h THR 184 CO 0.07 0.32 0.07 0.28 0.37 0.00 0.00 175.52 176.62 3a6h h SER 185 N 1.20 0.80 -0.78 4.18 0.02 -0.86 -0.98 113.55 117.12 3a6h h SER 185 Ca 0.29 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3a6h h SER 185 Cb 0.13 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 3a6h h SER 185 CO -0.04 0.86 0.36 -0.07 -1.14 0.00 0.00 176.83 176.81 3a6h h LEU 186 N 0.70 1.04 -0.95 5.07 3.38 -1.09 -2.50 115.31 120.97 3a6h h LEU 186 Ca 0.15 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3a6h h LEU 186 Cb 0.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3a6h h LEU 186 CO 0.01 0.90 -0.18 0.24 0.09 0.00 0.00 178.44 179.50 3a6h h MET 187 N 1.11 0.57 0.00 1.13 2.86 -0.85 -1.71 114.93 118.03 3a6h h MET 187 Ca 0.27 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3a6h h MET 187 Cb 0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3a6h h MET 187 CO -0.03 0.72 -0.30 -0.07 1.06 0.00 0.00 176.91 178.29 3a6h h LEU 188 N 0.51 0.00 0.00 1.22 3.38 -0.80 0.67 115.31 120.29 3a6h h LEU 188 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3a6h h LEU 188 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3a6h h LEU 188 CO 0.04 0.30 -0.60 0.00 0.09 0.00 0.00 178.44 178.27 3a6h h ALA 189 N 1.70 0.67 0.00 1.53 0.00 -1.03 -3.35 119.26 118.78 3a6h h ALA 189 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3a6h h ALA 189 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3a6h h ALA 189 CO 0.04 0.00 -1.37 1.28 0.00 0.00 0.00 179.25 179.20 3a6h n LEU 190 N -2.57 1.79 -3.11 0.00 4.77 -0.69 -4.89 117.00 112.31 3a6h n LEU 190 Ca 0.02 0.02 -0.20 0.00 -0.03 0.00 0.00 56.01 55.82 3a6h n LEU 190 Cb 0.50 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3a6h n LEU 190 CO 0.37 0.38 -0.13 -1.22 -1.33 0.00 0.00 177.39 175.46 3a6h n TYR 191 N -2.98 1.22 -0.28 -1.77 4.01 0.23 -4.96 117.16 112.63 3a6h n TYR 191 Ca -0.12 -3.83 0.23 0.00 -0.16 0.00 0.00 57.90 54.02 3a6h n TYR 191 Cb 0.61 -0.43 0.56 0.00 -0.31 0.00 0.00 39.34 39.76 3a6h n TYR 191 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3a6h h PRO 192 N 2.99 0.31 0.00 -0.72 0.13 -1.52 0.36 132.00 133.55 3a6h h PRO 192 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3a6h h PRO 192 Cb 0.86 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3a6h h PRO 192 CO 0.58 0.20 0.00 -0.44 -0.23 0.00 0.00 178.00 178.12 3a6h h ASP 193 N 0.32 0.00 -0.55 1.44 3.45 -1.93 -1.82 116.42 117.33 3a6h h ASP 193 Ca 0.53 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.99 3a6h h ASP 193 Cb 1.49 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.26 3a6h h ASP 193 CO -0.20 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.65 3a6h n LEU 194 N -2.43 3.25 -4.26 1.55 4.77 0.12 -4.88 117.00 115.11 3a6h n LEU 194 Ca 0.00 -1.57 -0.31 0.00 -0.03 0.00 0.00 56.01 54.11 3a6h n LEU 194 Cb 0.16 -0.36 -0.16 0.00 -2.33 0.00 0.00 43.42 40.73 3a6h n LEU 194 CO 0.17 0.78 -0.56 -0.69 -1.33 0.00 0.00 177.39 175.77 3a6h s VAL 195 N -1.28 2.00 -0.60 4.08 1.01 -0.69 -2.80 120.40 122.13 3a6h s VAL 195 Ca 0.41 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.39 3a6h s VAL 195 Cb 0.22 -1.69 0.18 0.00 0.00 0.00 0.00 36.38 35.09 3a6h s VAL 195 CO 0.29 0.56 0.47 0.47 0.00 0.00 0.00 175.10 176.89 3a6h n ASP 196 N 2.87 1.89 0.05 3.32 8.00 -0.07 -4.98 116.55 127.64 3a6h n ASP 196 Ca -0.17 -2.95 0.20 0.00 0.71 0.00 0.00 54.79 52.58 3a6h n ASP 196 Cb 0.52 -0.68 0.73 0.00 -0.02 0.00 0.00 41.12 41.67 3a6h n ASP 196 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3a6h h LEU 197 N 5.31 0.00 -1.51 0.64 5.85 -1.96 0.08 115.31 123.72 3a6h h LEU 197 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3a6h h LEU 197 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3a6h h LEU 197 CO 0.61 0.00 0.00 -2.24 -0.34 0.00 0.00 178.44 176.47 3a6h h ASP 198 N 0.00 0.00 0.43 1.25 2.03 -1.95 -2.60 116.42 115.59 3a6h h ASP 198 Ca 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 3a6h h ASP 198 Cb 0.99 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.49 3a6h h ASP 198 CO -0.00 0.00 -0.10 0.54 -1.03 0.00 0.00 179.24 178.65 3a6h n ARG 199 N -2.99 0.58 -1.73 4.15 1.74 0.01 -4.90 116.66 113.52 3a6h n ARG 199 Ca 0.00 -0.17 -0.42 0.00 -0.77 0.00 0.00 57.85 56.50 3a6h n ARG 199 Cb 0.28 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 3a6h n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3a6h n VAL 200 N -1.06 0.52 -3.45 1.55 0.31 -0.98 -4.43 118.33 110.79 3a6h n VAL 200 Ca 0.14 -0.13 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3a6h n VAL 200 Cb 0.27 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.12 3a6h n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3a6h s VAL 201 N 0.57 5.22 -1.48 2.52 1.01 -1.26 -5.00 120.40 121.98 3a6h s VAL 201 Ca 0.69 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 3a6h s VAL 201 Cb -0.50 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3a6h s VAL 201 CO 0.41 -0.17 2.37 -0.67 0.00 0.00 0.00 175.10 177.04 3a6h n ASP 202 N 5.26 5.02 -4.92 3.32 2.03 -1.26 -4.71 116.55 121.29 3a6h n ASP 202 Ca -0.11 -2.80 -0.26 0.00 0.52 0.00 0.00 54.79 52.14 3a6h n ASP 202 Cb 0.49 -1.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.25 3a6h n ASP 202 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3a6h s HIS 203 N 2.78 3.52 0.67 -0.67 -3.43 -1.26 -5.02 115.29 111.88 3a6h s HIS 203 Ca 0.52 0.61 -0.15 0.00 -0.80 0.00 0.00 55.06 55.23 3a6h s HIS 203 Cb 0.15 -2.12 0.01 0.00 -1.43 0.00 0.00 32.58 29.19 3a6h s HIS 203 CO -0.08 -0.04 1.14 -1.25 -2.00 0.00 0.00 174.74 172.51 3a6h s PRO 204 N -4.35 2.66 0.27 -0.38 0.04 -1.26 -4.16 135.00 127.82 3a6h s PRO 204 Ca 0.44 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 3a6h s PRO 204 Cb -0.10 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.38 3a6h s PRO 204 CO 0.38 -1.39 1.12 -2.30 0.04 0.00 0.00 177.00 174.86 3a6h n PRO 205 N -2.38 1.49 -2.15 0.56 -0.02 -1.26 -4.84 135.00 126.40 3a6h n PRO 205 Ca 0.11 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.71 3a6h n PRO 205 Cb 0.51 -1.98 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 3a6h n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6h s ALA 206 N -0.78 3.50 -0.02 3.55 0.00 -0.12 -5.02 121.76 122.88 3a6h s ALA 206 Ca 0.62 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.85 3a6h s ALA 206 Cb -0.71 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 18.93 3a6h s ALA 206 CO 0.57 -0.60 -0.14 0.95 0.00 0.00 0.00 175.76 176.54 3a6h s THR 207 N -0.98 1.13 0.13 0.00 -4.23 -1.26 -4.95 115.64 105.49 3a6h s THR 207 Ca 0.50 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.46 3a6h s THR 207 Cb -0.39 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 3a6h s THR 207 CO 0.50 0.32 -0.12 -0.36 -0.54 0.00 0.00 174.62 174.43 3a6h s PHE 208 N -0.24 1.31 0.81 3.99 0.40 -1.26 -5.09 117.98 117.91 3a6h s PHE 208 Ca 0.04 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 3a6h s PHE 208 Cb -0.07 -0.68 0.08 0.00 0.51 0.00 0.00 43.02 42.87 3a6h s PHE 208 CO -0.00 0.11 1.14 -1.25 0.70 0.00 0.00 175.22 175.92 3a6h s PRO 209 N -3.18 1.94 0.00 0.24 0.04 -1.26 -4.90 135.00 127.87 3a6h s PRO 209 Ca 0.12 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3a6h s PRO 209 Cb -0.01 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3a6h s PRO 209 CO 0.02 -1.65 0.76 -2.30 0.04 0.00 0.00 177.00 173.87 3a6h n PRO 210 N -3.40 0.52 -3.95 0.56 -0.02 -1.26 -4.78 135.00 122.67 3a6h n PRO 210 Ca 0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.46 3a6h n PRO 210 Cb 0.59 -1.24 -0.03 0.00 -0.02 0.00 0.00 33.50 32.80 3a6h n PRO 210 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3a6h s TYR 211 N 0.70 0.29 0.08 6.00 -0.85 -1.26 -5.18 117.35 117.13 3a6h s TYR 211 Ca 0.00 -0.71 0.09 0.00 -0.52 0.00 0.00 57.07 55.93 3a6h s TYR 211 Cb 0.00 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 3a6h s TYR 211 CO 0.00 -1.17 -0.24 -0.51 -1.52 0.00 0.00 175.55 172.11 3a6h s ASP 212 N -3.04 2.87 -0.05 -0.18 1.11 -1.26 -5.09 116.67 111.02 3a6h s ASP 212 Ca 0.20 -0.63 0.06 0.00 0.18 0.00 0.00 52.55 52.36 3a6h s ASP 212 Cb -0.03 -0.21 -0.01 0.00 1.07 0.00 0.00 42.92 43.74 3a6h s ASP 212 CO 0.11 0.17 -0.24 -0.69 1.18 0.00 0.00 175.17 175.69 3a6h s VAL 213 N -0.94 2.00 -0.01 -1.27 1.01 -1.26 -5.13 120.40 114.80 3a6h s VAL 213 Ca 0.10 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3a6h s VAL 213 Cb -0.10 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3a6h s VAL 213 CO 0.03 0.56 -0.08 -0.36 0.00 0.00 0.00 175.10 175.25 3a6h s PHE 214 N -0.17 0.76 0.68 5.22 0.08 -1.26 -3.78 117.98 119.51 3a6h s PHE 214 Ca -0.03 -0.14 -0.16 0.00 0.12 0.00 0.00 56.93 56.71 3a6h s PHE 214 Cb -0.13 -0.49 0.01 0.00 -0.57 0.00 0.00 43.02 41.84 3a6h s PHE 214 CO 0.03 -0.02 1.21 -1.25 -0.10 0.00 0.00 175.22 175.10 3a6h s PRO 215 N -0.18 2.42 0.14 0.24 0.04 -1.26 -5.06 135.00 131.33 3a6h s PRO 215 Ca 0.03 1.79 -0.33 0.00 0.04 0.00 0.00 61.00 62.52 3a6h s PRO 215 Cb -0.03 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.51 3a6h s PRO 215 CO -0.00 -1.63 1.65 1.55 0.04 0.00 0.00 177.00 178.61 3a6h n VAL 216 N -2.35 0.09 -3.20 -0.36 3.14 -1.25 -4.95 118.33 109.46 3a6h n VAL 216 Ca 0.14 -0.02 -0.43 0.00 -2.96 0.00 0.00 64.34 61.07 3a6h n VAL 216 Cb 0.50 -1.68 -0.08 0.00 -1.06 0.00 0.00 33.84 31.52 3a6h n VAL 216 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3a6h s ASP 217 N 1.41 6.27 0.47 6.55 3.68 -1.26 -4.96 116.67 128.84 3a6h s ASP 217 Ca 0.80 -0.46 0.21 0.00 2.13 0.00 0.00 52.55 55.23 3a6h s ASP 217 Cb -0.64 -2.28 1.22 0.00 -1.45 0.00 0.00 42.92 39.77 3a6h s ASP 217 CO 0.38 -0.68 1.93 -0.65 0.13 0.00 0.00 175.17 176.28 3a6h h PRO 218 N 8.79 0.23 0.00 4.34 0.11 -1.95 -1.87 132.00 141.65 3a6h h PRO 218 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3a6h h PRO 218 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3a6h h PRO 218 CO 0.85 0.15 0.00 0.00 -0.21 0.00 0.00 178.00 178.79 3a6h h ALA 219 N 1.65 1.00 -0.15 -0.75 0.00 -2.00 -2.67 119.26 116.34 3a6h h ALA 219 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3a6h h ALA 219 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3a6h h ALA 219 CO -0.08 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.71 3a6h n ARG 220 N -2.97 1.78 -5.08 0.00 1.74 -0.70 -4.82 116.66 106.61 3a6h n ARG 220 Ca -0.02 -1.17 -0.32 0.00 -0.77 0.00 0.00 57.85 55.57 3a6h n ARG 220 Cb 0.14 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.01 3a6h n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3a6h s THR 221 N -1.82 2.50 0.24 0.55 2.01 -1.01 -4.96 115.64 113.16 3a6h s THR 221 Ca 0.34 -0.91 -0.31 0.00 0.31 0.00 0.00 61.69 61.12 3a6h s THR 221 Cb 0.19 -1.96 -0.14 0.00 0.01 0.00 0.00 72.50 70.60 3a6h s THR 221 CO 0.28 0.57 1.27 -2.65 -0.69 0.00 0.00 174.62 173.40 3a6h n PRO 222 N 2.83 1.73 -0.32 4.92 -0.02 -1.26 -4.83 135.00 138.05 3a6h n PRO 222 Ca -0.17 0.61 0.21 0.00 -2.02 0.00 0.00 63.50 62.13 3a6h n PRO 222 Cb 0.52 -2.18 0.41 0.00 -0.02 0.00 0.00 33.50 32.23 3a6h n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6h h ALA 223 N 3.46 1.63 0.00 3.55 0.00 -1.90 0.48 119.26 126.47 3a6h h ALA 223 Ca -0.44 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3a6h h ALA 223 Cb 1.30 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3a6h h ALA 223 CO 0.70 -0.64 -0.10 -1.35 0.00 0.00 0.00 179.25 177.86 3a6h h PRO 224 N 0.13 0.00 0.00 0.00 0.11 -1.97 -3.46 132.00 126.81 3a6h h PRO 224 Ca 0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.79 3a6h h PRO 224 Cb 1.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.66 3a6h h PRO 224 CO -0.74 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 177.56 3a6h n GLY 225 N -0.66 2.26 3.85 -0.55 0.00 0.16 -4.01 105.19 106.24 3a6h n GLY 225 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3a6h n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a6h s THR 226 N -2.53 4.64 -1.09 2.61 -4.23 -1.26 -4.51 115.64 109.27 3a6h s THR 226 Ca 0.00 0.98 0.18 0.00 -1.18 0.00 0.00 61.69 61.67 3a6h s THR 226 Cb 0.00 -3.72 -0.14 0.00 1.34 0.00 0.00 72.50 69.98 3a6h s THR 226 CO 0.00 -0.59 0.81 0.18 -0.54 0.00 0.00 174.62 174.49 3a6h n LEU 227 N -1.38 1.11 -3.52 4.79 4.77 -1.09 -4.33 117.00 117.36 3a6h n LEU 227 Ca 0.05 -0.57 -0.12 0.00 -0.03 0.00 0.00 56.01 55.33 3a6h n LEU 227 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3a6h n LEU 227 CO 0.46 0.25 0.31 -0.94 -1.33 0.00 0.00 177.39 176.14 3a6h s SER 228 N -2.53 -0.45 0.13 -1.43 1.04 -1.17 -0.94 113.70 108.35 3a6h s SER 228 Ca 0.09 -0.02 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 3a6h s SER 228 Cb 0.14 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.73 3a6h s SER 228 CO 0.66 -0.87 0.98 -0.55 0.98 0.00 0.00 173.24 174.44 3a6h s SER 229 N -2.53 7.49 -0.11 7.02 0.15 -1.26 -4.22 113.70 120.25 3a6h s SER 229 Ca -0.00 1.84 0.18 0.00 0.70 0.00 0.00 55.95 58.67 3a6h s SER 229 Cb -0.00 -2.59 0.71 0.00 -1.71 0.00 0.00 66.02 62.43 3a6h s SER 229 CO -0.09 -0.07 1.62 0.00 1.20 0.00 0.00 173.24 175.90 3a6h n ALA 230 N 2.65 3.06 -0.34 5.45 0.00 -1.26 -3.89 120.51 126.18 3a6h n ALA 230 Ca 0.02 -1.54 0.18 0.00 0.00 0.00 0.00 53.44 52.10 3a6h n ALA 230 Cb 0.49 -1.03 0.39 0.00 0.00 0.00 0.00 19.45 19.30 3a6h n ALA 230 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3a6h h LYS 231 N 4.08 0.53 -0.57 0.00 3.64 -1.93 0.01 116.57 122.33 3a6h h LYS 231 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3a6h h LYS 231 Cb 1.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3a6h h LYS 231 CO 0.22 0.35 0.00 0.25 -2.27 0.00 0.00 179.45 178.00 3a6h n THR 232 N -4.91 1.07 -1.98 1.00 -2.24 -1.26 -4.95 114.28 101.01 3a6h n THR 232 Ca 0.27 -0.76 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 3a6h n THR 232 Cb 0.77 0.10 0.03 0.00 -2.10 0.00 0.00 70.33 69.13 3a6h n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a6h s ALA 233 N -1.62 2.58 0.14 6.98 0.00 -0.01 -5.04 121.76 124.78 3a6h s ALA 233 Ca 0.35 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.71 3a6h s ALA 233 Cb 0.21 -3.33 0.07 0.00 0.00 0.00 0.00 23.12 20.07 3a6h s ALA 233 CO 0.19 -1.04 0.60 -1.54 0.00 0.00 0.00 175.76 173.97 3a6h s SER 234 N -2.29 -0.57 0.24 0.00 1.04 -1.26 -4.94 113.70 105.93 3a6h s SER 234 Ca 0.69 0.06 -0.06 0.00 0.48 0.00 0.00 55.95 57.12 3a6h s SER 234 Cb -0.21 0.59 0.28 0.00 0.10 0.00 0.00 66.02 66.78 3a6h s SER 234 CO 0.35 -0.93 1.90 -0.09 0.98 0.00 0.00 173.24 175.45 3a6h h ARG 235 N 2.11 1.15 -0.76 4.02 2.43 -1.86 -1.34 114.38 120.14 3a6h h ARG 235 Ca -0.33 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.78 3a6h h ARG 235 Cb 1.29 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 3a6h h ARG 235 CO 0.38 0.76 0.50 1.49 -1.51 0.00 0.00 179.97 181.60 3a6h h GLU 236 N 1.19 1.00 -0.57 0.20 4.81 -1.95 0.31 114.58 119.56 3a6h h GLU 236 Ca 0.36 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 3a6h h GLU 236 Cb -0.02 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 3a6h h GLU 236 CO -0.11 0.66 0.21 0.87 -0.73 0.00 0.00 179.01 179.91 3a6h h LYS 237 N 1.03 0.86 -0.88 1.92 1.57 -1.74 -2.14 116.57 117.19 3a6h h LYS 237 Ca 0.28 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3a6h h LYS 237 Cb -0.11 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.02 3a6h h LYS 237 CO -0.06 0.75 0.56 0.78 -0.57 0.00 0.00 179.45 180.91 3a6h h GLY 238 N 0.78 1.24 0.63 3.86 0.00 -0.15 -1.14 103.07 108.31 3a6h h GLY 238 Ca 0.19 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.06 3a6h h GLY 238 CO -0.01 0.47 -0.12 0.83 0.00 0.00 0.00 176.54 177.71 3a6h h GLU 239 N 1.19 -0.18 -0.12 4.80 4.39 -0.04 -0.38 114.58 124.25 3a6h h GLU 239 Ca 0.32 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.05 3a6h h GLU 239 Cb -0.11 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3a6h h GLU 239 CO -0.07 -0.12 -0.03 1.25 -1.16 0.00 0.00 179.01 178.89 3a6h h LEU 240 N -0.18 -0.11 -0.26 1.33 5.85 -0.97 -1.84 115.31 119.12 3a6h h LEU 240 Ca 0.06 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3a6h h LEU 240 Cb 0.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3a6h h LEU 240 CO -0.16 -0.04 -0.01 0.40 -0.34 0.00 0.00 178.44 178.30 3a6h h ILE 241 N 0.00 0.81 -0.47 4.05 2.04 -0.92 -1.58 117.51 121.44 3a6h h ILE 241 Ca 0.06 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.94 3a6h h ILE 241 Cb 0.09 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3a6h h ILE 241 CO -0.12 0.01 0.21 0.25 0.00 0.00 0.00 178.15 178.50 3a6h h LEU 242 N 0.07 0.27 -0.05 1.44 5.85 -0.85 -0.01 115.31 122.04 3a6h h LEU 242 Ca 0.12 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3a6h h LEU 242 Cb 0.16 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3a6h h LEU 242 CO -0.21 0.19 0.02 -0.08 -0.34 0.00 0.00 178.44 178.02 3a6h h GLU 243 N 0.41 0.07 -0.20 1.25 4.57 -1.04 -0.26 114.58 119.38 3a6h h GLU 243 Ca 0.21 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.40 3a6h h GLU 243 Cb 0.16 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3a6h h GLU 243 CO -0.18 0.17 0.05 0.28 -1.18 0.00 0.00 179.01 178.15 3a6h h VAL 244 N -0.05 0.92 0.14 0.32 2.07 -1.00 -1.44 116.25 117.21 3a6h h VAL 244 Ca 0.02 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3a6h h VAL 244 Cb 0.13 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3a6h h VAL 244 CO -0.00 0.02 -0.07 0.00 0.02 0.00 0.00 177.57 177.55 3a6h h VAL 246 N -0.34 0.78 -0.45 0.00 2.07 -0.97 -0.74 116.25 116.61 3a6h h VAL 246 Ca -0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3a6h h VAL 246 Cb 0.27 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3a6h h VAL 246 CO 0.03 0.00 0.11 -0.61 0.02 0.00 0.00 177.57 177.12 3a6h h GLN 247 N -0.04 0.72 -0.20 1.57 -0.00 -1.27 -1.27 115.11 114.63 3a6h h GLN 247 Ca 0.08 -0.18 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 3a6h h GLN 247 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.54 3a6h h GLN 247 CO -0.19 0.72 0.05 0.78 0.00 0.00 0.00 178.83 180.20 3a6h h GLY 248 N 0.60 0.34 0.99 2.39 0.00 -1.03 -2.49 103.07 103.87 3a6h h GLY 248 Ca 0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3a6h h GLY 248 CO 0.00 0.20 0.16 -2.22 0.00 0.00 0.00 176.54 174.68 3a6h h ILE 249 N 0.13 1.24 -0.68 2.60 2.04 -1.12 -1.17 117.51 120.55 3a6h h ILE 249 Ca 0.06 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.16 3a6h h ILE 249 Cb 0.27 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3a6h h ILE 249 CO 0.00 0.31 0.38 0.00 0.00 0.00 0.00 178.15 178.84 3a6h h ALA 250 N 1.03 0.91 -0.47 1.87 0.00 -1.20 -0.31 119.26 121.09 3a6h h ALA 250 Ca 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3a6h h ALA 250 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3a6h h ALA 250 CO -0.00 0.07 0.08 -0.44 0.00 0.00 0.00 179.25 178.95 3a6h h ASP 251 N 0.71 0.75 -0.69 0.00 3.32 -1.11 -1.94 116.42 117.46 3a6h h ASP 251 Ca 0.30 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3a6h h ASP 251 Cb 0.18 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3a6h h ASP 251 CO -0.18 0.82 0.39 0.00 -1.72 0.00 0.00 179.24 178.55 3a6h h ALA 252 N 0.96 0.88 -0.37 3.45 0.00 -0.57 -1.24 119.26 122.37 3a6h h ALA 252 Ca 0.14 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3a6h h ALA 252 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3a6h h ALA 252 CO 0.01 0.38 -0.18 0.82 0.00 0.00 0.00 179.25 180.28 3a6h h ILE 253 N 0.94 1.26 -0.17 0.00 2.04 -0.97 -1.69 117.51 118.92 3a6h h ILE 253 Ca 0.24 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 3a6h h ILE 253 Cb 0.02 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3a6h h ILE 253 CO -0.04 0.41 -0.23 0.03 0.00 0.00 0.00 178.15 178.32 3a6h h ARG 254 N 0.61 0.30 -0.30 2.37 3.08 -0.93 0.72 114.38 120.23 3a6h h ARG 254 Ca 0.10 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3a6h h ARG 254 Cb 0.65 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3a6h h ARG 254 CO 0.05 0.52 -0.25 1.49 -1.07 0.00 0.00 179.97 180.70 3a6h h GLU 255 N 0.27 0.70 0.00 0.04 4.57 -0.71 -2.61 114.58 116.84 3a6h h GLU 255 Ca 0.05 -0.35 -0.23 0.00 -1.18 0.00 0.00 59.36 57.64 3a6h h GLU 255 Cb 0.56 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 3a6h h GLU 255 CO 0.04 0.96 -1.26 0.93 -1.18 0.00 0.00 179.01 178.50 3a6h h GLU 256 N 0.45 0.00 -2.19 1.92 4.39 -1.17 -3.38 114.58 114.61 3a6h h GLU 256 Ca 0.05 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.18 3a6h h GLU 256 Cb 0.81 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.05 3a6h h GLU 256 CO 0.07 0.75 -0.74 1.19 -1.16 0.00 0.00 179.01 179.12 3a6h n PHE 257 N -3.21 2.98 -1.71 4.33 3.72 0.23 -5.09 117.46 118.70 3a6h n PHE 257 Ca -0.07 -3.99 -0.43 0.00 -0.05 0.00 0.00 57.45 52.91 3a6h n PHE 257 Cb 0.97 -0.49 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 3a6h n PHE 257 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3a6h n PRO 258 N 0.41 2.45 0.00 -1.08 -0.04 -0.98 -4.67 135.00 131.09 3a6h n PRO 258 Ca 0.29 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.62 3a6h n PRO 258 Cb 0.44 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 3a6h n PRO 258 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16