#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6h s SER 4 N 0.00 5.12 0.00 -5.58 0.15 -1.26 -5.02 113.70 107.11 3a6h s SER 4 Ca 0.00 -0.48 0.25 0.00 0.70 0.00 0.00 55.95 56.41 3a6h s SER 4 Cb 0.00 -1.06 0.41 0.00 -1.71 0.00 0.00 66.02 63.66 3a6h s SER 4 CO 0.00 -0.16 1.35 1.33 1.20 0.00 0.00 173.24 176.96 3a6h n VAL 5 N -1.17 0.00 -2.96 4.45 0.24 -1.26 -4.87 118.33 112.76 3a6h n VAL 5 Ca -0.05 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.34 61.72 3a6h n VAL 5 Cb 0.59 0.65 -0.05 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.64 3.36 0.33 6.34 0.40 -1.26 0.76 117.98 125.27 3a6h s PHE 6 Ca 0.19 1.10 0.05 0.00 -0.60 0.00 0.00 56.93 57.67 3a6h s PHE 6 Cb 0.18 -2.96 0.68 0.00 0.51 0.00 0.00 43.02 41.43 3a6h s PHE 6 CO 0.61 -0.28 1.89 0.28 0.70 0.00 0.00 175.22 178.42 3a6h h VAL 7 N 5.28 0.95 0.00 -0.44 2.07 -1.34 -1.63 116.25 121.14 3a6h h VAL 7 Ca -0.28 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3a6h h VAL 7 Cb 1.12 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3a6h h VAL 7 CO 0.83 0.15 -0.03 1.23 0.02 0.00 0.00 177.57 179.77 3a6h h GLY 8 N 0.85 0.00 -2.04 2.17 0.00 -1.93 -2.13 103.07 99.99 3a6h h GLY 8 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3a6h h GLY 8 CO -0.18 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.54 3a6h n GLU 9 N -3.42 2.35 -4.07 4.80 1.02 -0.62 -4.93 120.64 115.78 3a6h n GLU 9 Ca -0.02 -2.06 -0.23 0.00 -0.02 0.00 0.00 57.16 54.82 3a6h n GLU 9 Cb 0.15 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.36 3.94 0.63 -4.62 1.43 -0.80 -4.90 118.68 112.99 3a6h s LEU 10 Ca 0.38 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 3a6h s LEU 10 Cb 0.22 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3a6h s LEU 10 CO 0.30 -0.01 0.98 0.42 0.23 0.00 0.00 176.35 178.27 3a6h s THR 11 N -1.97 3.78 0.38 5.49 -4.23 -1.26 -4.89 115.64 112.94 3a6h s THR 11 Ca 0.33 0.27 0.21 0.00 -1.18 0.00 0.00 61.69 61.32 3a6h s THR 11 Cb -0.09 -3.53 0.21 0.00 1.34 0.00 0.00 72.50 70.43 3a6h s THR 11 CO 0.25 -0.62 1.96 4.11 -0.54 0.00 0.00 174.62 179.79 3a6h h TRP 12 N -0.34 0.00 -0.44 3.99 5.08 -1.99 -1.95 115.95 120.30 3a6h h TRP 12 Ca -0.45 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.43 3a6h h TRP 12 Cb 1.25 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 3a6h h TRP 12 CO 0.51 0.21 -0.09 0.87 -1.28 0.00 0.00 178.44 178.66 3a6h h LYS 13 N 0.00 0.83 0.17 0.12 1.79 -1.98 0.10 116.57 117.60 3a6h h LYS 13 Ca -0.00 -0.31 -0.01 0.00 -2.18 0.00 0.00 60.65 58.15 3a6h h LYS 13 Cb 0.47 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3a6h h LYS 13 CO 0.03 0.94 -0.08 0.93 -1.08 0.00 0.00 179.45 180.18 3a6h h GLU 14 N 0.67 -0.22 -0.43 3.15 5.08 -1.79 -0.98 114.58 120.06 3a6h h GLU 14 Ca 0.11 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3a6h h GLU 14 Cb 0.62 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 3a6h h GLU 14 CO 0.04 -0.01 0.16 -0.92 -1.00 0.00 0.00 179.01 177.28 3a6h h TYR 15 N -0.39 0.29 -0.87 4.33 3.20 -1.34 -1.55 116.97 120.64 3a6h h TYR 15 Ca -0.02 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.92 3a6h h TYR 15 Cb 0.31 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.45 3a6h h TYR 15 CO -0.02 0.11 0.55 1.49 -1.64 0.00 0.00 178.16 178.65 3a6h h GLU 16 N 0.34 0.98 -0.67 1.82 4.81 -0.64 -1.66 114.58 119.57 3a6h h GLU 16 Ca 0.20 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3a6h h GLU 16 Cb 0.18 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3a6h h GLU 16 CO -0.20 0.65 0.23 0.00 -0.73 0.00 0.00 179.01 178.96 3a6h h ALA 17 N 1.40 0.87 -0.27 2.92 0.00 -0.41 -1.32 119.26 122.45 3a6h h ALA 17 Ca 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3a6h h ALA 17 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3a6h h ALA 17 CO -0.16 0.52 0.11 0.00 0.00 0.00 0.00 179.25 179.73 3a6h h ARG 18 N 0.96 0.40 -0.45 0.00 2.47 -0.66 -2.76 114.38 114.33 3a6h h ARG 18 Ca 0.22 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.82 3a6h h ARG 18 Cb 0.26 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 3a6h h ARG 18 CO -0.01 0.42 0.06 0.28 0.56 0.00 0.00 179.97 181.28 3a6h h VAL 19 N 0.29 1.21 0.00 2.04 2.07 -1.21 -1.70 116.25 118.95 3a6h h VAL 19 Ca 0.09 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3a6h h VAL 19 Cb 0.16 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3a6h h VAL 19 CO -0.01 0.29 0.08 0.00 0.02 0.00 0.00 177.57 177.95 3a6h h ALA 20 N 1.40 1.07 -0.09 1.67 0.00 -0.94 -1.44 119.26 120.93 3a6h h ALA 20 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3a6h h ALA 20 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3a6h h ALA 20 CO 0.01 -0.07 0.08 0.00 0.00 0.00 0.00 179.25 179.26 3a6h h ALA 21 N 1.83 1.82 0.00 0.00 0.00 -1.24 -3.46 119.26 118.20 3a6h h ALA 21 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a6h h ALA 21 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3a6h h ALA 21 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.54 3a6h n GLY 22 N -1.43 1.91 1.38 0.00 0.00 -0.54 -4.83 105.19 101.67 3a6h n GLY 22 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 0.85 -4.69 1.61 3.85 -1.26 -5.03 116.55 111.88 3a6h n ASP 23 Ca 0.00 -2.00 -0.42 0.00 -0.71 0.00 0.00 54.79 51.66 3a6h n ASP 23 Cb 0.00 -0.28 -0.03 0.00 -1.35 0.00 0.00 41.12 39.47 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 2.29 5.29 0.06 0.00 1.01 -1.26 -4.39 120.40 123.40 3a6h s VAL 25 Ca 0.61 0.54 0.05 0.00 0.00 0.00 0.00 61.98 63.19 3a6h s VAL 25 Cb -0.30 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3a6h s VAL 25 CO 0.25 0.46 -0.08 -0.76 0.00 0.00 0.00 175.10 174.98 3a6h s LEU 26 N -0.03 3.14 -0.05 3.92 1.43 -0.62 -1.67 118.68 124.80 3a6h s LEU 26 Ca 0.17 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 3a6h s LEU 26 Cb -0.13 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 3a6h s LEU 26 CO 0.05 0.22 -0.17 -0.04 0.23 0.00 0.00 176.35 176.65 3a6h s MET 27 N -1.89 1.84 -0.24 1.70 -1.94 0.55 -0.69 119.30 118.62 3a6h s MET 27 Ca 0.20 -0.60 0.01 0.00 -1.71 0.00 0.00 55.69 53.60 3a6h s MET 27 Cb -0.11 -1.57 0.06 0.00 2.01 0.00 0.00 34.83 35.22 3a6h s MET 27 CO 0.12 0.21 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.10 3a6h s LEU 28 N 0.14 2.84 0.17 -0.03 2.96 0.26 -0.20 118.68 124.82 3a6h s LEU 28 Ca -0.06 -1.25 -0.30 0.00 -0.22 0.00 0.00 54.13 52.30 3a6h s LEU 28 Cb -0.12 -1.28 -0.07 0.00 0.50 0.00 0.00 46.19 45.21 3a6h s LEU 28 CO 0.03 -0.23 1.00 -2.84 -1.32 0.00 0.00 176.35 172.99 3a6h s PRO 29 N 1.31 4.71 -0.24 0.98 0.02 -1.26 -1.64 135.00 138.88 3a6h s PRO 29 Ca -0.06 1.55 0.02 0.00 0.02 0.00 0.00 61.00 62.52 3a6h s PRO 29 Cb -0.19 -3.31 0.06 0.00 0.02 0.00 0.00 34.50 31.07 3a6h s PRO 29 CO -0.06 0.26 -0.08 0.08 -0.33 0.00 0.00 177.00 176.87 3a6h s VAL 30 N -0.45 1.77 0.00 3.83 1.01 -0.26 -1.64 120.40 124.66 3a6h s VAL 30 Ca 0.46 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3a6h s VAL 30 Cb -0.26 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3a6h s VAL 30 CO 0.32 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3a6h n GLY 31 N 4.59 4.11 3.61 4.51 0.00 -0.64 -1.36 105.19 120.01 3a6h n GLY 31 Ca -0.13 -1.20 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.10 -2.20 -0.36 4.61 0.00 -1.24 -3.12 121.76 117.34 3a6h s ALA 32 Ca 0.00 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 3a6h s ALA 32 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.30 3a6h s ALA 32 CO 0.00 -0.84 0.12 -1.17 0.00 0.00 0.00 175.76 173.87 3a6h s LEU 33 N -2.60 4.65 -0.03 0.00 2.96 -1.13 -4.19 118.68 118.34 3a6h s LEU 33 Ca 0.12 -1.66 -0.07 0.00 -0.22 0.00 0.00 54.13 52.30 3a6h s LEU 33 Cb 0.02 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.94 3a6h s LEU 33 CO -0.04 -0.41 0.17 -0.70 -1.32 0.00 0.00 176.35 174.04 3a6h s GLU 34 N 1.21 0.37 0.37 1.98 2.12 -0.42 -1.59 118.70 122.74 3a6h s GLU 34 Ca 0.02 -0.09 -0.28 0.00 0.36 0.00 0.00 54.97 54.98 3a6h s GLU 34 Cb -0.21 0.16 -0.11 0.00 0.26 0.00 0.00 34.13 34.23 3a6h s GLU 34 CO -0.02 -0.08 1.48 1.14 -0.54 0.00 0.00 175.26 177.24 3a6h s GLN 35 N -0.70 4.13 -0.38 4.30 1.03 -1.26 -4.37 119.66 122.41 3a6h s GLN 35 Ca -0.08 2.54 0.13 0.00 0.04 0.00 0.00 55.36 57.99 3a6h s GLN 35 Cb -0.05 -2.98 0.42 0.00 0.03 0.00 0.00 33.01 30.43 3a6h s GLN 35 CO 0.01 -0.51 0.95 0.72 -2.54 0.00 0.00 175.29 173.92 3a6h n HIS 36 N 0.63 1.79 -2.59 9.60 8.25 -1.26 -4.99 115.22 126.65 3a6h n HIS 36 Ca 0.01 -3.15 0.02 0.00 -0.26 0.00 0.00 57.72 54.34 3a6h n HIS 36 Cb 0.39 -0.32 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.12 -2.00 0.20 -1.41 0.00 -1.24 -3.53 105.19 97.10 3a6h n GLY 37 Ca 0.21 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.12 0.00 0.00 1.61 3.86 -1.85 -3.36 115.15 115.30 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 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3a6h h HIS 38 CO 0.00 0.21 -0.75 -2.39 0.86 0.00 0.00 177.93 175.86 3a6h n HIS 39 N -3.22 0.02 -4.23 2.45 1.44 -1.26 -4.90 115.22 105.52 3a6h n HIS 39 Ca 0.02 0.01 -0.15 0.00 -2.01 0.00 0.00 57.72 55.59 3a6h n HIS 39 Cb 0.53 -0.16 -0.10 0.00 0.12 0.00 0.00 29.99 30.38 3a6h n HIS 39 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 3a6h s MET 40 N -3.02 1.01 1.05 -1.40 -1.94 -1.23 -0.84 119.30 112.93 3a6h s MET 40 Ca 0.09 -1.35 -0.14 0.00 -1.71 0.00 0.00 55.69 52.59 3a6h s MET 40 Cb 0.17 -0.65 0.22 0.00 2.01 0.00 0.00 34.83 36.57 3a6h s MET 40 CO 0.78 0.09 1.09 0.00 -0.01 0.00 0.00 175.02 176.97 3a6h n MET 42 N -4.35 0.88 -0.58 0.00 0.00 -1.26 -4.10 117.12 107.71 3a6h n MET 42 Ca 0.06 -0.52 0.09 0.00 0.00 0.00 0.00 57.70 57.33 3a6h n MET 42 Cb 0.58 -1.49 0.33 0.00 0.00 0.00 0.00 33.22 32.64 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 -0.61 4.47 -0.24 7.83 2.04 -1.26 -1.30 115.26 126.19 3a6h n ASN 43 Ca 0.13 -2.42 0.02 0.00 -0.44 0.00 0.00 54.58 51.86 3a6h n ASN 43 Cb 0.35 -0.56 0.09 0.00 -2.53 0.00 0.00 39.78 37.13 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 3.79 0.32 0.00 3.53 2.07 -1.83 0.25 116.25 124.38 3a6h h VAL 44 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3a6h h VAL 44 Cb 1.38 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3a6h h VAL 44 CO 0.23 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.26 3a6h h ASP 45 N 0.02 0.00 0.01 0.57 3.32 -1.82 -1.20 116.42 117.32 3a6h h ASP 45 Ca 0.35 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 57.02 3a6h h ASP 45 Cb 0.56 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 3a6h h ASP 45 CO -0.70 0.00 -2.10 0.52 -1.72 0.00 0.00 179.24 175.25 3a6h n VAL 46 N -2.59 1.54 -0.14 -1.35 0.31 -0.07 -4.05 118.33 111.98 3a6h n VAL 46 Ca -0.02 -0.29 -0.05 0.00 -0.01 0.00 0.00 64.34 63.98 3a6h n VAL 46 Cb 0.06 -1.90 0.04 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.89 0.17 0.52 7.52 3.38 -0.78 -2.44 115.31 122.79 3a6h h LEU 47 Ca -0.57 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 3a6h h LEU 47 Cb 1.55 0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.34 3a6h h LEU 47 CO -0.31 0.13 -0.25 -0.07 0.09 0.00 0.00 178.44 178.03 3a6h h LEU 48 N 0.33 -0.59 -1.71 1.67 3.38 -1.48 -0.25 115.31 116.65 3a6h h LEU 48 Ca 0.20 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3a6h h LEU 48 Cb 0.19 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3a6h h LEU 48 CO -0.21 -0.27 -0.14 1.55 0.09 0.00 0.00 178.44 179.47 3a6h h PRO 49 N -0.94 0.01 -0.48 1.13 0.13 -1.75 -0.77 132.00 129.34 3a6h h PRO 49 Ca -0.07 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 3a6h h PRO 49 Cb 0.62 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 3a6h h PRO 49 CO 0.12 0.15 -0.06 1.15 -0.23 0.00 0.00 178.00 179.12 3a6h h THR 50 N 0.01 1.27 -0.44 1.56 2.02 -1.36 0.86 112.91 116.82 3a6h h THR 50 Ca 0.00 -1.17 -0.12 0.00 0.77 0.00 0.00 66.41 65.89 3a6h h THR 50 Cb 0.25 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3a6h h THR 50 CO 0.02 0.41 -0.19 0.00 0.37 0.00 0.00 175.52 176.12 3a6h h ALA 51 N 0.90 0.83 -0.42 6.16 0.00 -0.36 -0.33 119.26 126.03 3a6h h ALA 51 Ca 0.13 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3a6h h ALA 51 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3a6h h ALA 51 CO 0.04 0.65 -0.27 0.28 0.00 0.00 0.00 179.25 179.94 3a6h h VAL 52 N 0.76 1.27 -0.47 0.00 2.07 -1.01 -2.69 116.25 116.18 3a6h h VAL 52 Ca 0.11 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3a6h h VAL 52 Cb 0.73 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3a6h h VAL 52 CO 0.06 0.49 0.22 0.00 0.02 0.00 0.00 177.57 178.35 3a6h h LYS 54 N 0.62 -0.19 -0.37 0.00 3.64 -0.95 0.29 116.57 119.61 3a6h h LYS 54 Ca 0.16 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3a6h h LYS 54 Cb 0.14 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3a6h h LYS 54 CO -0.02 -0.13 0.02 0.00 -2.27 0.00 0.00 179.45 177.06 3a6h h ARG 55 N -0.19 0.64 -0.28 1.90 3.08 -1.37 -1.38 114.38 116.77 3a6h h ARG 55 Ca 0.09 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3a6h h ARG 55 Cb 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3a6h h ARG 55 CO -0.23 0.73 0.15 0.28 -1.07 0.00 0.00 179.97 179.83 3a6h h VAL 56 N 0.46 1.13 -0.66 2.04 2.07 -0.90 -0.88 116.25 119.52 3a6h h VAL 56 Ca 0.11 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.34 3a6h h VAL 56 Cb 0.42 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3a6h h VAL 56 CO 0.01 0.13 0.39 0.00 0.02 0.00 0.00 177.57 178.12 3a6h h ALA 57 N 1.03 0.86 -0.39 1.67 0.00 -0.34 -0.69 119.26 121.41 3a6h h ALA 57 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3a6h h ALA 57 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3a6h h ALA 57 CO -0.02 0.11 0.22 0.93 0.00 0.00 0.00 179.25 180.49 3a6h h GLU 58 N 0.74 0.53 -0.73 0.00 5.08 -0.97 0.24 114.58 119.47 3a6h h GLU 58 Ca 0.28 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3a6h h GLU 58 Cb 0.09 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3a6h h GLU 58 CO -0.14 0.42 0.22 -0.09 -1.00 0.00 0.00 179.01 178.42 3a6h h ARG 59 N 0.50 1.14 -0.21 2.33 2.43 -0.52 -3.27 114.38 116.78 3a6h h ARG 59 Ca 0.14 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3a6h h ARG 59 Cb 0.04 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3a6h h ARG 59 CO -0.02 0.98 0.00 0.44 -1.51 0.00 0.00 179.97 179.85 3a6h n ILE 60 N -4.25 0.38 -2.66 1.20 -5.35 -0.32 -5.00 119.36 103.36 3a6h n ILE 60 Ca 0.06 -0.69 -0.05 0.00 -0.27 0.00 0.00 62.75 61.80 3a6h n ILE 60 Cb 0.23 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.17 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 0.94 0.57 3.89 3.28 0.00 0.63 -5.04 105.19 109.46 3a6h n GLY 61 Ca 0.12 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.96 4.26 0.21 4.61 0.00 -0.07 -4.71 121.76 123.11 3a6h s ALA 62 Ca 0.11 -1.60 0.11 0.00 0.00 0.00 0.00 51.96 50.59 3a6h s ALA 62 Cb -0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.19 3a6h s ALA 62 CO 0.14 -0.39 -0.21 -0.51 0.00 0.00 0.00 175.76 174.79 3a6h s LEU 63 N -4.23 2.53 -0.16 0.00 1.43 -0.67 -4.56 118.68 113.02 3a6h s LEU 63 Ca 0.41 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 3a6h s LEU 63 Cb -0.02 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 45.01 3a6h s LEU 63 CO 0.25 0.10 -0.20 -0.69 0.23 0.00 0.00 176.35 176.03 3a6h s VAL 64 N -1.86 2.03 0.58 -1.59 1.01 0.23 -0.33 120.40 120.46 3a6h s VAL 64 Ca 0.23 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 3a6h s VAL 64 Cb -0.07 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3a6h s VAL 64 CO 0.12 0.54 1.02 -0.04 0.00 0.00 0.00 175.10 176.73 3a6h s MET 65 N 1.13 3.67 0.30 2.72 -1.94 0.72 -0.87 119.30 125.03 3a6h s MET 65 Ca 0.01 0.91 -0.29 0.00 -1.71 0.00 0.00 55.69 54.60 3a6h s MET 65 Cb -0.14 -2.09 -0.12 0.00 2.01 0.00 0.00 34.83 34.48 3a6h s MET 65 CO -0.09 -0.51 1.38 -2.30 -0.01 0.00 0.00 175.02 173.49 3a6h n PRO 66 N -2.18 2.20 -2.32 2.03 -0.02 -1.26 -4.47 135.00 128.99 3a6h n PRO 66 Ca 0.07 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 3a6h n PRO 66 Cb 0.54 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.00 2.08 -0.26 -1.23 0.00 -1.26 -4.70 107.32 101.95 3a6h s GLY 67 Ca 0.61 0.23 -0.28 0.00 0.00 0.00 0.00 44.72 45.27 3a6h s GLY 67 CO 0.56 0.52 1.02 1.08 0.00 0.00 0.00 173.10 176.28 3a6h s LEU 68 N -4.17 4.05 0.41 0.66 1.43 -0.65 -4.91 118.68 115.49 3a6h s LEU 68 Ca 0.60 1.21 0.22 0.00 -1.03 0.00 0.00 54.13 55.13 3a6h s LEU 68 Cb -0.11 -3.48 0.36 0.00 0.03 0.00 0.00 46.19 42.98 3a6h s LEU 68 CO 0.33 -0.72 1.60 1.56 0.23 0.00 0.00 176.35 179.35 3a6h h GLN 69 N 7.70 0.00 -5.43 1.70 1.08 -1.90 -1.70 115.11 116.57 3a6h h GLN 69 Ca -0.20 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 56.37 3a6h h GLN 69 Cb 1.06 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.17 3a6h h GLN 69 CO 0.98 0.14 -0.86 0.71 -0.95 0.00 0.00 178.83 178.85 3a6h s TYR 70 N -3.19 2.12 0.00 2.96 1.51 -1.26 -2.83 117.35 116.66 3a6h s TYR 70 Ca 0.06 -0.71 0.00 0.00 -1.01 0.00 0.00 57.07 55.40 3a6h s TYR 70 Cb 0.06 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 3a6h s TYR 70 CO 0.68 -0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.27 3a6h n GLY 71 N 3.27 4.81 3.79 0.71 0.00 -1.18 -4.77 105.19 111.81 3a6h n GLY 71 Ca -0.19 -2.18 -0.31 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.63 2.76 0.11 1.61 5.04 -1.26 -0.96 117.35 124.03 3a6h s TYR 72 Ca 0.00 1.51 -0.36 0.00 -2.44 0.00 0.00 57.07 55.79 3a6h s TYR 72 Cb 0.00 -3.01 -0.16 0.00 0.35 0.00 0.00 41.96 39.13 3a6h s TYR 72 CO 0.00 -1.57 1.29 1.63 -1.34 0.00 0.00 175.55 175.56 3a6h n LYS 73 N -3.15 1.15 -1.98 4.97 5.02 -1.24 -4.74 118.16 118.19 3a6h n LYS 73 Ca 0.09 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.38 3a6h n LYS 73 Cb 0.53 -2.02 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 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 0.35 6.61 -0.06 4.39 0.15 -1.26 -4.89 113.70 118.99 3a6h s SER 74 Ca 0.81 2.68 -0.02 0.00 0.70 0.00 0.00 55.95 60.12 3a6h s SER 74 Cb -0.93 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 60.73 3a6h s SER 74 CO 0.48 -0.75 0.04 -1.10 1.20 0.00 0.00 173.24 173.11 3a6h s GLN 75 N -0.04 3.03 0.19 5.44 -1.52 -1.26 -1.88 119.66 123.62 3a6h s GLN 75 Ca 0.62 -0.42 -0.16 0.00 -1.95 0.00 0.00 55.36 53.45 3a6h s GLN 75 Cb -0.43 -2.84 0.16 0.00 -0.22 0.00 0.00 33.01 29.68 3a6h s GLN 75 CO 0.41 0.69 1.63 0.37 -0.25 0.00 0.00 175.29 178.14 3a6h h GLN 76 N 4.75 -0.06 0.00 2.91 4.15 -1.91 0.31 115.11 125.26 3a6h h GLN 76 Ca -0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3a6h h GLN 76 Cb 1.19 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3a6h h GLN 76 CO 0.57 -0.04 0.00 1.63 -1.93 0.00 0.00 178.83 179.06 3a6h n LYS 77 N -5.40 0.38 0.00 1.69 5.02 -1.26 -2.45 118.16 116.13 3a6h n LYS 77 Ca 0.05 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3a6h n LYS 77 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.21 2.86 0.00 4.39 3.41 -0.73 -4.79 113.62 117.55 3a6h n SER 78 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 3a6h n SER 78 Cb 0.14 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 2.58 0.38 0.00 5.00 0.00 0.10 -4.40 105.19 108.86 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 -0.23 3.00 0.00 -0.02 0.00 -0.98 -4.84 105.19 102.12 3a6h n GLY 80 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.68 0.51 -0.02 0.00 -1.21 -4.36 105.19 103.79 3a6h n GLY 81 Ca 0.00 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.43 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 1.31 0.00 1.61 2.85 -0.79 -3.62 115.26 116.63 3a6h n ASN 82 Ca 0.00 -2.09 0.12 0.00 -0.11 0.00 0.00 54.58 52.50 3a6h n ASN 82 Cb 0.00 -0.32 0.21 0.00 1.24 0.00 0.00 39.78 40.91 3a6h n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3a6h n HIS 83 N 0.01 0.05 -2.40 1.20 1.44 -1.26 -4.93 115.22 109.32 3a6h n HIS 83 Ca 0.05 0.01 -0.37 0.00 -2.01 0.00 0.00 57.72 55.40 3a6h n HIS 83 Cb 0.27 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 30.09 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 -3.02 3.10 0.80 -1.40 0.40 -1.24 -5.02 117.98 111.59 3a6h s PHE 84 Ca 0.10 1.59 -0.11 0.00 -0.60 0.00 0.00 56.93 57.92 3a6h s PHE 84 Cb 0.17 -3.26 0.07 0.00 0.51 0.00 0.00 43.02 40.51 3a6h s PHE 84 CO 0.72 -1.05 1.09 -2.14 0.70 0.00 0.00 175.22 174.54 3a6h s PRO 85 N -2.54 2.06 0.00 0.24 0.02 -1.26 -3.63 135.00 129.89 3a6h s PRO 85 Ca 0.60 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.77 3a6h s PRO 85 Cb -0.26 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.39 3a6h s PRO 85 CO 0.32 -1.78 0.00 0.41 -0.33 0.00 0.00 177.00 175.62 3a6h n GLY 86 N -1.10 1.82 3.67 0.52 0.00 -1.26 -4.71 105.19 104.13 3a6h n GLY 86 Ca 0.09 -0.17 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 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 0.26 -3.86 2.61 -1.04 -1.24 -4.73 114.28 106.28 3a6h n THR 87 Ca 0.00 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.05 61.66 3a6h n THR 87 Cb 0.00 -1.59 -0.15 0.00 -1.82 0.00 0.00 70.33 66.76 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 2.34 1.40 0.15 12.58 2.01 -0.62 -4.97 115.64 128.54 3a6h s THR 88 Ca 0.86 -1.60 0.06 0.00 0.31 0.00 0.00 61.69 61.32 3a6h s THR 88 Cb -0.73 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 3a6h s THR 88 CO 0.46 -0.52 0.07 -0.44 -0.69 0.00 0.00 174.62 173.50 3a6h s SER 89 N 1.37 5.19 0.21 3.53 0.01 -1.26 -4.46 113.70 118.29 3a6h s SER 89 Ca 0.06 -0.23 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3a6h s SER 89 Cb -0.18 -1.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 3a6h s SER 89 CO -0.16 0.10 0.35 -0.76 0.41 0.00 0.00 173.24 173.18 3a6h s LEU 90 N -2.90 4.30 0.66 2.44 1.43 -0.13 -4.88 118.68 119.59 3a6h s LEU 90 Ca 0.29 0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 3a6h s LEU 90 Cb -0.10 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 3a6h s LEU 90 CO 0.21 -0.04 1.05 -1.81 0.23 0.00 0.00 176.35 175.99 3a6h s ASP 91 N -3.66 5.65 0.18 2.29 -0.00 -1.26 -3.64 116.67 116.23 3a6h s ASP 91 Ca 0.35 1.58 -0.13 0.00 -0.00 0.00 0.00 52.55 54.35 3a6h s ASP 91 Cb -0.10 -2.49 0.15 0.00 -0.00 0.00 0.00 42.92 40.48 3a6h s ASP 91 CO 0.29 -1.26 1.76 1.23 -0.00 0.00 0.00 175.17 177.19 3a6h h GLY 92 N -0.49 0.65 0.95 0.21 0.00 -1.99 -2.23 103.07 100.17 3a6h h GLY 92 Ca -0.44 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 46.85 3a6h h GLY 92 CO 0.58 0.04 0.50 0.00 0.00 0.00 0.00 176.54 177.66 3a6h h ALA 93 N 1.30 1.70 -0.21 3.60 0.00 -1.99 -0.60 119.26 123.07 3a6h h ALA 93 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3a6h h ALA 93 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a6h h ALA 93 CO -0.21 0.17 0.01 1.15 0.00 0.00 0.00 179.25 180.37 3a6h h THR 94 N 0.78 1.24 -0.31 0.00 2.02 -1.78 -0.12 112.91 114.74 3a6h h THR 94 Ca 0.34 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 3a6h h THR 94 Cb 0.31 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3a6h h THR 94 CO -0.12 0.25 -0.08 0.25 0.37 0.00 0.00 175.52 176.19 3a6h h LEU 95 N 0.14 0.61 -0.63 2.58 5.85 -1.17 -1.83 115.31 120.87 3a6h h LEU 95 Ca 0.06 -0.37 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3a6h h LEU 95 Cb 0.37 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3a6h h LEU 95 CO 0.01 0.84 0.39 0.74 -0.34 0.00 0.00 178.44 180.08 3a6h h THR 96 N 0.38 1.08 -0.22 1.05 2.02 -1.09 -2.00 112.91 114.12 3a6h h THR 96 Ca 0.08 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 3a6h h THR 96 Cb 0.58 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3a6h h THR 96 CO 0.03 0.14 -0.21 1.23 0.37 0.00 0.00 175.52 177.08 3a6h h GLY 97 N 0.76 0.43 0.89 2.16 0.00 -0.89 -1.47 103.07 104.95 3a6h h GLY 97 Ca 0.25 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3a6h h GLY 97 CO -0.10 0.30 -0.05 -0.84 0.00 0.00 0.00 176.54 175.85 3a6h h THR 98 N 0.36 1.27 -0.44 4.70 2.02 -0.85 -0.47 112.91 119.51 3a6h h THR 98 Ca 0.06 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 3a6h h THR 98 Cb 0.58 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3a6h h THR 98 CO 0.04 0.34 0.19 0.58 0.37 0.00 0.00 175.52 177.03 3a6h h VAL 99 N 0.33 1.19 -0.29 3.16 2.07 -1.25 -2.26 116.25 119.21 3a6h h VAL 99 Ca 0.08 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3a6h h VAL 99 Cb 0.51 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3a6h h VAL 99 CO 0.02 0.22 0.17 -0.61 0.02 0.00 0.00 177.57 177.39 3a6h h GLN 100 N 0.56 0.39 -0.83 1.57 4.15 -1.15 -2.38 115.11 117.43 3a6h h GLN 100 Ca 0.15 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 3a6h h GLN 100 Cb 0.16 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 3a6h h GLN 100 CO -0.01 0.31 0.45 -0.44 -1.93 0.00 0.00 178.83 177.21 3a6h h ASP 101 N 0.36 1.03 -0.42 -0.69 3.32 -0.95 -1.65 116.42 117.43 3a6h h ASP 101 Ca 0.10 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3a6h h ASP 101 Cb 0.02 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3a6h h ASP 101 CO -0.02 0.84 0.12 0.40 -1.72 0.00 0.00 179.24 178.86 3a6h h ILE 102 N 1.15 1.22 -0.54 0.35 2.04 -1.27 -1.61 117.51 118.85 3a6h h ILE 102 Ca 0.29 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 3a6h h ILE 102 Cb 0.03 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3a6h h ILE 102 CO -0.05 0.26 0.26 0.40 0.00 0.00 0.00 178.15 179.03 3a6h h ILE 103 N 0.53 1.20 -0.51 -0.67 2.04 -1.22 0.14 117.51 119.04 3a6h h ILE 103 Ca 0.13 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.48 3a6h h ILE 103 Cb 0.28 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3a6h h ILE 103 CO -0.00 0.23 0.23 -0.09 0.00 0.00 0.00 178.15 178.51 3a6h h ARG 104 N 0.73 0.43 -0.45 2.37 2.43 -1.10 -1.11 114.38 117.68 3a6h h ARG 104 Ca 0.19 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3a6h h ARG 104 Cb 0.12 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3a6h h ARG 104 CO -0.02 0.28 0.00 0.93 -1.51 0.00 0.00 179.97 179.65 3a6h h GLU 105 N 0.44 0.79 -0.63 0.20 4.39 -0.85 -2.39 114.58 116.53 3a6h h GLU 105 Ca 0.23 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 3a6h h GLU 105 Cb 0.19 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3a6h h GLU 105 CO -0.20 0.85 0.26 -0.07 -1.16 0.00 0.00 179.01 178.69 3a6h h LEU 106 N 0.64 0.84 -1.42 1.33 3.38 -0.69 -1.15 115.31 118.24 3a6h h LEU 106 Ca 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3a6h h LEU 106 Cb 0.49 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3a6h h LEU 106 CO 0.02 0.75 -0.29 0.00 0.09 0.00 0.00 178.44 179.01 3a6h h ALA 107 N 1.37 1.52 0.00 1.53 0.00 -1.01 -1.72 119.26 120.96 3a6h h ALA 107 Ca 0.21 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3a6h h ALA 107 Cb 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3a6h h ALA 107 CO -0.02 0.36 -0.44 -0.09 0.00 0.00 0.00 179.25 179.06 3a6h h ARG 108 N 0.00 0.00 0.00 0.00 2.43 -0.71 -2.61 114.38 113.49 3a6h h ARG 108 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3a6h h ARG 108 Cb 0.51 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3a6h h ARG 108 CO 0.04 0.44 -0.07 0.45 -1.51 0.00 0.00 179.97 179.31 3a6h h HIS 109 N 0.00 0.00 0.00 2.20 3.86 -0.73 -3.46 115.15 117.02 3a6h h HIS 109 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3a6h h HIS 109 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.41 3a6h h HIS 109 CO 0.00 0.07 0.00 0.41 0.86 0.00 0.00 177.93 179.27 3a6h n GLY 110 N 0.52 0.67 3.76 2.45 0.00 -0.98 -4.99 105.19 106.62 3a6h n GLY 110 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 2.69 0.00 4.61 0.00 -0.85 -4.96 121.76 121.25 3a6h s ALA 111 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3a6h s ALA 111 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3a6h s ALA 111 CO 0.00 -0.95 0.28 0.54 0.00 0.00 0.00 175.76 175.63 3a6h n ARG 112 N -1.25 0.00 -3.81 0.00 5.12 -1.26 -4.22 116.66 111.24 3a6h n ARG 112 Ca 0.12 -0.28 -0.26 0.00 -1.93 0.00 0.00 57.85 55.49 3a6h n ARG 112 Cb 0.49 -0.48 -0.17 0.00 -1.16 0.00 0.00 32.46 31.15 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 0.96 -0.02 5.56 0.52 -1.26 -0.76 118.95 123.96 3a6h s ARG 113 Ca 0.00 -0.23 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 3a6h s ARG 113 Cb 0.00 -1.60 -0.00 0.00 0.52 0.00 0.00 34.95 33.86 3a6h s ARG 113 CO 0.00 -0.41 -0.10 -1.17 0.02 0.00 0.00 175.30 173.64 3a6h s LEU 114 N 1.82 1.92 -0.18 2.53 2.96 -0.76 -1.59 118.68 125.38 3a6h s LEU 114 Ca 0.02 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3a6h s LEU 114 Cb -0.14 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.01 3a6h s LEU 114 CO -0.07 0.10 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.24 3a6h s VAL 115 N -0.06 2.73 -0.28 1.68 1.01 0.13 -0.89 120.40 124.72 3a6h s VAL 115 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3a6h s VAL 115 Cb -0.06 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3a6h s VAL 115 CO -0.00 0.50 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 3a6h s LEU 116 N 1.08 3.80 -0.35 3.92 1.02 0.50 -0.57 118.68 128.07 3a6h s LEU 116 Ca -0.00 -0.33 -0.08 0.00 0.02 0.00 0.00 54.13 53.74 3a6h s LEU 116 Cb -0.14 -1.98 0.04 0.00 0.02 0.00 0.00 46.19 44.12 3a6h s LEU 116 CO -0.04 -0.11 0.14 -0.32 0.02 0.00 0.00 176.35 176.05 3a6h s MET 117 N 1.63 2.67 0.09 1.70 1.75 -0.65 -1.75 119.30 124.74 3a6h s MET 117 Ca 0.06 -1.17 -0.23 0.00 -1.25 0.00 0.00 55.69 53.10 3a6h s MET 117 Cb -0.16 -3.56 -0.07 0.00 2.84 0.00 0.00 34.83 33.88 3a6h s MET 117 CO 0.06 -0.70 0.68 1.21 -0.65 0.00 0.00 175.02 175.62 3a6h s ASN 118 N 1.49 7.20 0.00 1.11 3.04 -0.39 -1.10 114.94 126.28 3a6h s ASN 118 Ca -0.00 1.42 0.00 0.00 0.04 0.00 0.00 52.86 54.32 3a6h s ASN 118 Cb -0.20 -2.43 0.00 0.00 -1.54 0.00 0.00 41.25 37.09 3a6h s ASN 118 CO 0.04 0.19 0.67 0.61 -3.04 0.00 0.00 177.10 175.56 3a6h n GLY 119 N 1.87 0.47 2.69 1.21 0.00 -0.46 -3.92 105.19 107.05 3a6h n GLY 119 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.42 1.16 0.31 1.61 5.65 -1.26 -4.63 115.29 117.71 3a6h s HIS 120 Ca 0.00 -1.24 0.03 0.00 0.25 0.00 0.00 55.06 54.10 3a6h s HIS 120 Cb 0.00 -1.30 0.78 0.00 -1.18 0.00 0.00 32.58 30.88 3a6h s HIS 120 CO 0.00 -0.78 1.53 0.98 -0.65 0.00 0.00 174.74 175.82 3a6h n TYR 121 N 5.01 0.65 0.31 3.88 9.36 -1.26 -0.97 117.16 134.14 3a6h n TYR 121 Ca -0.05 1.17 0.21 0.00 3.32 0.00 0.00 57.90 62.55 3a6h n TYR 121 Cb 0.44 -1.25 1.09 0.00 -0.63 0.00 0.00 39.34 38.98 3a6h n TYR 121 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3a6h h GLU 122 N 0.00 0.00 0.00 2.98 3.07 -1.91 -2.55 114.58 116.18 3a6h h GLU 122 Ca 0.61 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.37 3a6h h GLU 122 Cb 1.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 3a6h h GLU 122 CO -0.91 0.00 -0.47 -0.91 -1.40 0.00 0.00 179.01 175.32 3a6h h ASN 123 N 0.00 0.00 0.00 1.42 2.35 -1.37 -3.41 115.58 114.57 3a6h h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a6h h ASN 123 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3a6h h ASN 123 CO 0.00 0.47 0.00 -1.20 -1.65 0.00 0.00 177.43 175.05 3a6h n SER 124 N -3.56 0.00 0.27 5.81 7.64 -0.96 -1.39 113.62 121.43 3a6h n SER 124 Ca -0.00 0.44 0.15 0.00 1.01 0.00 0.00 58.87 60.46 3a6h n SER 124 Cb 0.57 -0.19 0.77 0.00 -1.01 0.00 0.00 64.21 64.34 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 -1.85 -1.63 114.93 115.74 3a6h h MET 125 Ca 0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3a6h h MET 125 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3a6h h MET 125 CO 0.00 0.09 -0.79 0.74 1.06 0.00 0.00 176.91 178.01 3a6h h PHE 126 N 0.00 0.00 -0.21 -0.22 -1.00 -1.57 -1.91 116.94 112.03 3a6h h PHE 126 Ca -0.00 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 3a6h h PHE 126 Cb 0.36 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.92 3a6h h PHE 126 CO 0.00 0.76 -0.25 0.82 -1.61 0.00 0.00 178.31 178.02 3a6h h ILE 127 N 0.00 1.33 -0.38 -0.55 2.04 -0.55 -2.04 117.51 117.35 3a6h h ILE 127 Ca -0.02 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.44 3a6h h ILE 127 Cb 1.59 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 39.41 3a6h h ILE 127 CO 0.10 0.44 0.16 0.58 0.00 0.00 0.00 178.15 179.43 3a6h h VAL 128 N 0.22 0.92 -0.19 1.67 2.07 -1.25 -1.55 116.25 118.14 3a6h h VAL 128 Ca 0.03 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3a6h h VAL 128 Cb 0.82 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3a6h h VAL 128 CO 0.06 0.06 -0.25 -0.08 0.02 0.00 0.00 177.57 177.38 3a6h h GLU 129 N 0.33 0.35 -0.62 1.57 4.57 -1.32 -1.39 114.58 118.08 3a6h h GLU 129 Ca 0.17 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 3a6h h GLU 129 Cb 0.12 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 3a6h h GLU 129 CO -0.15 0.58 0.13 0.78 -1.18 0.00 0.00 179.01 179.17 3a6h h GLY 130 N 1.00 1.09 0.84 1.92 0.00 -0.79 -1.40 103.07 105.73 3a6h h GLY 130 Ca 0.05 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 3a6h h GLY 130 CO 0.04 0.65 0.03 -2.22 0.00 0.00 0.00 176.54 175.05 3a6h h ILE 131 N 0.93 1.17 -0.41 2.60 2.04 -0.95 -1.67 117.51 121.22 3a6h h ILE 131 Ca 0.19 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3a6h h ILE 131 Cb 0.39 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3a6h h ILE 131 CO 0.01 0.15 0.26 -0.78 0.00 0.00 0.00 178.15 177.78 3a6h h ASP 132 N -0.01 0.48 -0.51 1.72 1.82 -1.12 0.41 116.42 119.20 3a6h h ASP 132 Ca 0.03 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 3a6h h ASP 132 Cb 0.20 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 3a6h h ASP 132 CO -0.00 0.37 0.11 -0.07 -1.61 0.00 0.00 179.24 178.04 3a6h h LEU 133 N 0.54 0.84 -0.17 2.28 3.38 -1.23 0.18 115.31 121.13 3a6h h LEU 133 Ca 0.15 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3a6h h LEU 133 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3a6h h LEU 133 CO -0.03 0.83 -0.04 0.00 0.09 0.00 0.00 178.44 179.29 3a6h h ALA 134 N 1.27 0.23 -0.45 1.53 0.00 -0.89 -2.21 119.26 118.75 3a6h h ALA 134 Ca 0.18 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3a6h h ALA 134 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3a6h h ALA 134 CO 0.00 -0.01 0.05 -0.07 0.00 0.00 0.00 179.25 179.23 3a6h h LEU 135 N 0.03 0.66 -0.47 0.00 3.38 -0.74 0.56 115.31 118.73 3a6h h LEU 135 Ca 0.04 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3a6h h LEU 135 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3a6h h LEU 135 CO 0.02 0.70 0.31 -0.09 0.09 0.00 0.00 178.44 179.46 3a6h h ARG 136 N 0.67 0.62 -0.32 1.13 2.43 -0.87 -0.80 114.38 117.23 3a6h h ARG 136 Ca 0.14 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3a6h h ARG 136 Cb 0.34 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3a6h h ARG 136 CO 0.01 0.41 0.06 1.49 -1.51 0.00 0.00 179.97 180.43 3a6h h GLU 137 N 0.64 0.52 -0.66 0.20 4.81 -0.82 -2.39 114.58 116.87 3a6h h GLU 137 Ca 0.17 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3a6h h GLU 137 Cb -0.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3a6h h GLU 137 CO -0.04 0.60 0.44 -0.07 -0.73 0.00 0.00 179.01 179.21 3a6h h LEU 138 N 0.36 0.74 -0.74 1.64 3.38 -0.62 -1.22 115.31 118.84 3a6h h LEU 138 Ca 0.10 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3a6h h LEU 138 Cb 0.32 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3a6h h LEU 138 CO 0.00 0.53 0.34 -0.09 0.09 0.00 0.00 178.44 179.32 3a6h h ARG 139 N 0.87 1.08 0.00 1.13 2.43 -0.86 0.18 114.38 119.20 3a6h h ARG 139 Ca 0.24 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3a6h h ARG 139 Cb -0.07 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 3a6h h ARG 139 CO -0.06 0.85 -0.05 1.88 -1.51 0.00 0.00 179.97 181.09 3a6h h TYR 140 N 1.05 0.00 -0.29 2.20 0.05 -0.74 -1.65 116.97 117.60 3a6h h TYR 140 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 3a6h h TYR 140 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 3a6h h TYR 140 CO 0.01 0.05 0.00 0.00 -1.05 0.00 0.00 178.16 177.17 3a6h n ALA 141 N -2.14 2.47 -0.79 3.88 0.00 -0.45 -4.93 120.51 118.55 3a6h n ALA 141 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3a6h n ALA 141 Cb 0.25 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 1.31 0.56 3.32 0.00 0.00 -0.62 -5.04 105.19 104.71 3a6h n GLY 142 Ca 0.17 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 3.71 -0.04 -0.61 1.01 0.50 -4.93 121.20 118.83 3a6h s ILE 143 Ca 0.00 -0.73 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3a6h s ILE 143 Cb 0.00 -2.89 0.10 0.00 0.01 0.00 0.00 42.46 39.68 3a6h s ILE 143 CO 0.00 0.13 0.96 0.00 0.00 0.00 0.00 174.94 176.04 3a6h n GLN 144 N 4.82 1.14 -0.42 2.79 6.02 -1.26 -3.05 117.38 127.42 3a6h n GLN 144 Ca -0.15 -1.56 0.08 0.00 -0.01 0.00 0.00 57.00 55.36 3a6h n GLN 144 Cb 0.48 -0.96 0.25 0.00 1.02 0.00 0.00 30.24 31.04 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 -0.60 3.81 -4.68 1.08 3.85 -1.26 -4.94 116.55 113.81 3a6h n ASP 145 Ca 0.05 -2.94 -0.39 0.00 -0.71 0.00 0.00 54.79 50.81 3a6h n ASP 145 Cb 0.54 -0.52 -0.07 0.00 -1.35 0.00 0.00 41.12 39.72 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 -2.69 3.40 -0.04 2.11 2.19 -1.26 -4.83 117.98 116.86 3a6h s PHE 146 Ca 0.41 0.78 0.07 0.00 0.33 0.00 0.00 56.93 58.51 3a6h s PHE 146 Cb 0.32 -2.62 -0.02 0.00 -1.31 0.00 0.00 43.02 39.39 3a6h s PHE 146 CO 0.09 -0.03 -0.24 0.21 1.83 0.00 0.00 175.22 177.08 3a6h s LYS 147 N 1.37 2.38 -0.04 10.12 2.20 0.06 -5.02 119.74 130.81 3a6h s LYS 147 Ca 0.24 -0.89 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 3a6h s LYS 147 Cb -0.15 -2.14 -0.01 0.00 -1.51 0.00 0.00 37.83 34.01 3a6h s LYS 147 CO 0.09 0.48 -0.21 0.08 -0.36 0.00 0.00 175.35 175.43 3a6h s VAL 148 N -0.40 1.73 -0.17 4.02 1.01 -1.26 -1.83 120.40 123.49 3a6h s VAL 148 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3a6h s VAL 148 Cb -0.12 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.82 3a6h s VAL 148 CO 0.01 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 174.74 3a6h s VAL 149 N -0.26 2.38 -0.11 2.92 1.01 -0.07 -5.00 120.40 121.28 3a6h s VAL 149 Ca 0.02 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 3a6h s VAL 149 Cb -0.11 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3a6h s VAL 149 CO 0.01 0.52 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 3a6h s VAL 150 N 1.15 3.41 0.03 2.92 1.01 -1.26 -0.37 120.40 127.28 3a6h s VAL 150 Ca 0.01 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3a6h s VAL 150 Cb -0.14 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.87 3a6h s VAL 150 CO -0.07 0.55 0.56 -1.48 0.00 0.00 0.00 175.10 174.66 3a6h s LEU 151 N -0.13 -0.23 -0.24 3.92 0.05 -0.72 -4.97 118.68 116.36 3a6h s LEU 151 Ca 0.00 0.31 -0.04 0.00 0.05 0.00 0.00 54.13 54.45 3a6h s LEU 151 Cb -0.13 2.23 0.00 0.00 -2.05 0.00 0.00 46.19 46.24 3a6h s LEU 151 CO 0.03 -0.69 -0.01 -0.44 -0.55 0.00 0.00 176.35 174.69 3a6h s SER 152 N -1.78 4.55 0.48 1.48 0.01 -1.26 -1.27 113.70 115.91 3a6h s SER 152 Ca -0.07 -0.54 0.31 0.00 1.31 0.00 0.00 55.95 56.97 3a6h s SER 152 Cb -0.01 -1.77 1.41 0.00 0.21 0.00 0.00 66.02 65.86 3a6h s SER 152 CO 0.01 -0.08 1.75 0.10 0.41 0.00 0.00 173.24 175.42 3a6h h TYR 153 N 8.13 0.29 0.00 2.43 -0.00 -1.95 -0.01 116.97 125.86 3a6h h TYR 153 Ca -0.37 0.01 -0.03 0.00 0.00 0.00 0.00 58.73 58.34 3a6h h TYR 153 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 36.73 37.79 3a6h h TYR 153 CO 0.60 -0.01 -0.12 0.00 -0.00 0.00 0.00 178.16 178.62 3a6h h ALA 154 N 1.47 1.62 0.00 0.10 0.00 -1.95 -2.59 119.26 117.91 3a6h h ALA 154 Ca 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3a6h h ALA 154 Cb 2.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.98 3a6h h ALA 154 CO -0.16 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3a6h n ASP 155 N -4.13 0.02 -0.34 0.00 8.00 -0.02 -2.26 116.55 117.82 3a6h n ASP 155 Ca -0.02 0.51 0.14 0.00 0.71 0.00 0.00 54.79 56.12 3a6h n ASP 155 Cb 0.20 -0.51 0.52 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.52 0.00 -3.29 1.24 3.01 -0.98 -4.52 117.46 111.39 3a6h n PHE 156 Ca 0.01 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.01 3a6h n PHE 156 Cb 0.08 -0.05 -0.01 0.00 -0.01 0.00 0.00 39.48 39.48 3a6h n PHE 156 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3a6h s VAL 157 N -2.19 5.66 -0.06 -4.37 1.01 -0.96 -4.74 120.40 114.75 3a6h s VAL 157 Ca 0.34 -2.73 0.04 0.00 0.00 0.00 0.00 61.98 59.63 3a6h s VAL 157 Cb 0.20 -4.55 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 3a6h s VAL 157 CO 0.41 -1.13 0.01 0.29 0.00 0.00 0.00 175.10 174.67 3a6h n LYS 158 N 3.79 2.62 -1.68 2.72 5.02 -1.26 -4.95 118.16 124.41 3a6h n LYS 158 Ca 0.19 0.00 -0.48 0.00 -2.02 0.00 0.00 58.31 56.00 3a6h n LYS 158 Cb 0.45 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 34.27 3a6h n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3a6h n ASP 159 N -2.28 3.45 -0.26 4.39 2.03 -1.26 -4.85 116.55 117.76 3a6h n ASP 159 Ca -0.09 0.97 0.15 0.00 0.52 0.00 0.00 54.79 56.34 3a6h n ASP 159 Cb 0.67 -1.37 0.43 0.00 -0.72 0.00 0.00 41.12 40.13 3a6h n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a6h h PRO 160 N 9.15 0.55 -0.02 -0.67 0.11 -1.99 0.24 132.00 139.37 3a6h h PRO 160 Ca -0.48 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3a6h h PRO 160 Cb 1.27 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3a6h h PRO 160 CO 0.95 0.36 -0.09 0.00 -0.21 0.00 0.00 178.00 179.01 3a6h h ALA 161 N 1.61 1.81 0.07 -0.75 0.00 -2.00 0.16 119.26 120.17 3a6h h ALA 161 Ca 0.47 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.14 3a6h h ALA 161 Cb 0.94 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.72 3a6h h ALA 161 CO -0.21 0.14 -0.62 0.28 0.00 0.00 0.00 179.25 178.84 3a6h h VAL 162 N 0.03 1.52 -0.92 0.00 2.07 -0.93 -3.10 116.25 114.92 3a6h h VAL 162 Ca 0.01 -2.32 0.07 0.00 0.82 0.00 0.00 66.70 65.27 3a6h h VAL 162 Cb 0.18 3.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 3a6h h VAL 162 CO 0.01 0.66 0.60 0.40 0.02 0.00 0.00 177.57 179.26 3a6h h ILE 163 N -0.37 1.06 -0.72 4.57 1.08 -0.74 -1.82 117.51 120.57 3a6h h ILE 163 Ca -0.10 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 3a6h h ILE 163 Cb 1.42 -0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 3a6h h ILE 163 CO 0.12 0.19 0.44 -0.61 -0.69 0.00 0.00 178.15 177.60 3a6h h GLN 164 N 1.05 0.98 -0.43 2.37 5.75 -0.75 0.38 115.11 124.45 3a6h h GLN 164 Ca 0.40 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.70 3a6h h GLN 164 Cb 0.21 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 3a6h h GLN 164 CO -0.15 0.68 -0.20 1.96 -2.65 0.00 0.00 178.83 178.48 3a6h h GLN 165 N 0.98 0.85 0.03 1.69 1.08 -1.28 -1.62 115.11 116.85 3a6h h GLN 165 Ca 0.26 -0.34 -0.24 0.00 -1.45 0.00 0.00 58.65 56.89 3a6h h GLN 165 Cb -0.05 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3a6h h GLN 165 CO -0.05 0.97 -1.01 -0.07 -0.95 0.00 0.00 178.83 177.72 3a6h h LEU 166 N 0.75 0.50 -6.04 1.46 3.38 -1.03 -3.38 115.31 110.95 3a6h h LEU 166 Ca 0.11 -0.43 -0.57 0.00 0.09 0.00 0.00 57.88 57.07 3a6h h LEU 166 Cb 0.73 -0.16 -0.41 0.00 0.09 0.00 0.00 40.66 40.91 3a6h h LEU 166 CO 0.06 1.25 -0.86 -1.22 0.09 0.00 0.00 178.44 177.76 3a6h n TYR 167 N -3.70 1.71 0.28 1.13 4.02 0.13 -4.92 117.16 115.81 3a6h n TYR 167 Ca -0.07 -3.87 0.13 0.00 -0.01 0.00 0.00 57.90 54.08 3a6h n TYR 167 Cb 0.88 -0.46 0.82 0.00 -0.02 0.00 0.00 39.34 40.56 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 3.96 0.00 -0.01 -0.72 0.13 -1.48 0.56 132.00 134.44 3a6h h PRO 168 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3a6h h PRO 168 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3a6h h PRO 168 CO 0.65 0.03 -0.02 0.39 -0.23 0.00 0.00 178.00 178.83 3a6h n GLU 169 N -3.93 1.25 0.00 0.86 4.71 -1.26 -4.97 120.64 117.30 3a6h n GLU 169 Ca -0.03 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.67 3a6h n GLU 169 Cb 0.12 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 3a6h n GLU 169 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a6h n GLY 170 N 1.11 2.86 3.75 0.62 0.00 0.19 -5.06 105.19 108.66 3a6h n GLY 170 Ca 0.21 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 3.95 -0.29 1.61 5.36 -1.25 -4.92 117.98 122.44 3a6h s PHE 171 Ca 0.00 1.86 0.09 0.00 -0.96 0.00 0.00 56.93 57.92 3a6h s PHE 171 Cb 0.00 -2.96 0.47 0.00 -0.34 0.00 0.00 43.02 40.19 3a6h s PHE 171 CO 0.00 0.43 1.38 1.28 -1.46 0.00 0.00 175.22 176.84 3a6h n LEU 172 N 1.71 4.01 0.00 6.12 4.77 -1.26 -5.09 117.00 127.26 3a6h n LEU 172 Ca -0.02 -4.01 0.00 0.00 -0.03 0.00 0.00 56.01 51.95 3a6h n LEU 172 Cb 0.48 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3a6h n LEU 172 CO 0.50 1.46 0.00 0.61 -1.33 0.00 0.00 177.39 178.63 3a6h n GLY 173 N -1.05 -1.66 0.10 -0.72 0.00 -1.26 -4.74 105.19 95.85 3a6h n GLY 173 Ca 0.32 -1.49 0.13 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 1.61 4.06 -2.02 -3.34 115.95 116.25 3a6h h TRP 174 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3a6h h TRP 174 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3a6h h TRP 174 CO 0.00 0.00 0.00 -0.44 -3.56 0.00 0.00 178.44 174.44 3a6h h ASP 175 N 0.00 0.00 -0.25 -3.49 3.32 -1.93 -2.25 116.42 111.83 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 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 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 -2.45 0.82 0.28 0.35 -5.35 -1.25 -4.66 119.36 107.10 3a6h n ILE 176 Ca -0.01 -0.91 0.16 0.00 -0.27 0.00 0.00 62.75 61.72 3a6h n ILE 176 Cb 0.10 0.62 0.75 0.00 -1.74 0.00 0.00 39.64 39.37 3a6h n ILE 176 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3a6h h GLU 177 N 1.76 0.00 -6.00 6.28 4.39 -1.61 -2.80 114.58 116.60 3a6h h GLU 177 Ca 0.00 0.00 -0.73 0.00 0.34 0.00 0.00 59.36 58.97 3a6h h GLU 177 Cb 0.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 3a6h h GLU 177 CO 0.00 0.06 1.34 1.58 -1.16 0.00 0.00 179.01 180.83 3a6h n HIS 178 N -3.23 1.39 -0.99 4.33 -0.00 -1.26 0.17 115.22 115.62 3a6h n HIS 178 Ca -0.01 0.55 0.00 0.00 0.46 0.00 0.00 57.72 58.73 3a6h n HIS 178 Cb 0.27 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.75 3a6h n HIS 178 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3a6h n GLY 179 N 6.94 0.44 0.00 1.57 0.00 -1.26 -2.04 105.19 110.84 3a6h n GLY 179 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.11 0.70 0.27 -0.02 0.00 0.44 -4.36 105.19 100.11 3a6h n GLY 180 Ca 0.00 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.33 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 0.75 0.80 1.61 2.07 -1.80 -2.49 116.25 117.19 3a6h h VAL 181 Ca 0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3a6h h VAL 181 Cb 0.00 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3a6h h VAL 181 CO 0.00 0.09 -0.38 0.15 0.02 0.00 0.00 177.57 177.45 3a6h h PHE 182 N 0.51 -0.99 -0.38 1.57 3.04 -1.93 -1.22 116.94 117.53 3a6h h PHE 182 Ca 0.38 -0.02 -0.12 0.00 3.98 0.00 0.00 57.97 62.19 3a6h h PHE 182 Cb 0.50 0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 3a6h h PHE 182 CO -0.14 -0.62 -0.24 0.93 -2.02 0.00 0.00 178.31 176.22 3a6h h GLU 183 N -1.16 0.77 -0.91 1.11 5.08 -1.84 -2.72 114.58 114.90 3a6h h GLU 183 Ca -0.11 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3a6h h GLU 183 Cb 0.82 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 3a6h h GLU 183 CO 0.18 0.94 0.52 1.15 -1.00 0.00 0.00 179.01 180.80 3a6h h THR 184 N 0.67 1.26 -0.39 1.13 2.02 -1.49 -0.49 112.91 115.62 3a6h h THR 184 Ca 0.09 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 3a6h h THR 184 Cb 0.76 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3a6h h THR 184 CO 0.06 0.28 0.04 0.28 0.37 0.00 0.00 175.52 176.56 3a6h h SER 185 N 1.27 0.63 -0.80 4.18 0.02 -1.08 -0.52 113.55 117.25 3a6h h SER 185 Ca 0.32 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3a6h h SER 185 Cb -0.01 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 3a6h h SER 185 CO -0.06 0.75 0.47 -0.07 -1.14 0.00 0.00 176.83 176.78 3a6h h LEU 186 N 0.49 0.98 -0.96 5.07 3.38 -1.16 -2.13 115.31 120.99 3a6h h LEU 186 Ca 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3a6h h LEU 186 Cb 0.40 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3a6h h LEU 186 CO 0.01 0.78 -0.23 0.24 0.09 0.00 0.00 178.44 179.33 3a6h h MET 187 N 1.11 0.49 -0.36 1.13 2.86 -0.88 0.46 114.93 119.74 3a6h h MET 187 Ca 0.29 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3a6h h MET 187 Cb -0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3a6h h MET 187 CO -0.05 0.69 -0.01 -0.07 1.06 0.00 0.00 176.91 178.53 3a6h h LEU 188 N 0.44 0.54 0.00 1.22 3.38 -0.51 0.44 115.31 120.82 3a6h h LEU 188 Ca 0.07 -0.11 -0.24 0.00 0.09 0.00 0.00 57.88 57.69 3a6h h LEU 188 Cb 0.64 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3a6h h LEU 188 CO 0.05 0.61 -1.23 0.00 0.09 0.00 0.00 178.44 177.96 3a6h h ALA 189 N 1.45 0.49 0.00 1.53 0.00 -1.00 -3.35 119.26 118.39 3a6h h ALA 189 Ca 0.11 -1.09 -0.40 0.00 0.00 0.00 0.00 54.91 53.53 3a6h h ALA 189 Cb 0.36 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3a6h h ALA 189 CO 0.01 1.36 -2.46 1.28 0.00 0.00 0.00 179.25 179.44 3a6h n LEU 190 N -3.25 2.61 -3.24 0.00 4.77 0.12 -4.81 117.00 113.19 3a6h n LEU 190 Ca -0.05 0.02 -0.24 0.00 -0.03 0.00 0.00 56.01 55.70 3a6h n LEU 190 Cb 0.98 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 3a6h n LEU 190 CO 0.46 0.80 -0.17 -1.22 -1.33 0.00 0.00 177.39 175.94 3a6h n TYR 191 N -3.57 1.00 -0.16 -1.77 4.01 0.15 -4.96 117.16 111.86 3a6h n TYR 191 Ca -0.48 -3.77 0.12 0.00 -0.16 0.00 0.00 57.90 53.62 3a6h n TYR 191 Cb 0.94 -0.42 0.46 0.00 -0.31 0.00 0.00 39.34 40.01 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 3.90 0.50 0.00 -0.72 0.13 -1.64 -1.40 132.00 132.78 3a6h h PRO 192 Ca 0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3a6h h PRO 192 Cb 0.81 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3a6h h PRO 192 CO 0.59 0.33 0.00 -0.44 -0.23 0.00 0.00 178.00 178.25 3a6h h ASP 193 N 0.51 0.00 -0.66 1.44 3.45 -1.93 -2.76 116.42 116.48 3a6h h ASP 193 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 3a6h h ASP 193 Cb 0.64 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 3a6h h ASP 193 CO -0.12 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.73 3a6h n LEU 194 N -2.80 3.78 -3.99 1.55 4.77 -0.53 -4.89 117.00 114.90 3a6h n LEU 194 Ca 0.00 -1.84 -0.23 0.00 -0.03 0.00 0.00 56.01 53.92 3a6h n LEU 194 Cb 0.24 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.73 3a6h n LEU 194 CO 0.23 0.92 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.07 3a6h s VAL 195 N -1.13 0.93 -0.58 4.08 1.01 -1.04 -2.87 120.40 120.79 3a6h s VAL 195 Ca 0.46 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3a6h s VAL 195 Cb 0.25 -0.86 0.15 0.00 0.00 0.00 0.00 36.38 35.92 3a6h s VAL 195 CO 0.33 0.30 0.37 -1.81 0.00 0.00 0.00 175.10 174.29 3a6h s ASP 196 N 0.60 4.15 0.64 3.32 -0.00 -0.02 -4.94 116.67 120.42 3a6h s ASP 196 Ca -0.11 -3.35 0.35 0.00 -0.00 0.00 0.00 52.55 49.43 3a6h s ASP 196 Cb -0.14 -1.41 1.95 0.00 -0.00 0.00 0.00 42.92 43.32 3a6h s ASP 196 CO 0.02 -0.16 2.17 0.25 -0.00 0.00 0.00 175.17 177.45 3a6h h LEU 197 N 5.93 0.00 -0.35 1.23 5.85 -1.96 -0.04 115.31 125.98 3a6h h LEU 197 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3a6h h LEU 197 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3a6h h LEU 197 CO 0.64 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.84 3a6h n ASP 198 N -3.34 0.28 -0.29 1.25 3.85 -1.26 -2.15 116.55 114.89 3a6h n ASP 198 Ca -0.01 0.58 0.12 0.00 -0.71 0.00 0.00 54.79 54.76 3a6h n ASP 198 Cb 0.22 -0.63 0.20 0.00 -1.35 0.00 0.00 41.12 39.56 3a6h n ASP 198 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3a6h n ARG 199 N -1.82 0.83 -1.71 0.11 1.74 -0.03 -4.96 116.66 110.82 3a6h n ARG 199 Ca 0.02 -0.59 -0.43 0.00 -0.77 0.00 0.00 57.85 56.09 3a6h n ARG 199 Cb 0.17 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.57 1.10 -3.55 1.55 0.31 -0.91 -4.45 118.33 111.80 3a6h n VAL 200 Ca 0.10 -0.27 -0.41 0.00 -0.01 0.00 0.00 64.34 63.74 3a6h n VAL 200 Cb 0.39 -1.74 -0.11 0.00 -0.91 0.00 0.00 33.84 31.47 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 -0.14 4.83 -1.39 2.52 1.01 -1.26 -5.01 120.40 120.96 3a6h s VAL 201 Ca 0.65 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 3a6h s VAL 201 Cb -0.56 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3a6h s VAL 201 CO 0.50 -0.23 2.40 -0.67 0.00 0.00 0.00 175.10 177.10 3a6h n ASP 202 N 5.05 5.18 -4.91 3.32 2.03 -1.26 -4.70 116.55 121.27 3a6h n ASP 202 Ca -0.12 -2.71 -0.28 0.00 0.52 0.00 0.00 54.79 52.21 3a6h n ASP 202 Cb 0.47 -1.53 -0.02 0.00 -0.72 0.00 0.00 41.12 39.32 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 3.13 3.50 0.80 -0.67 -3.43 -1.26 -5.01 115.29 112.36 3a6h s HIS 203 Ca 0.54 0.69 -0.13 0.00 -0.80 0.00 0.00 55.06 55.36 3a6h s HIS 203 Cb 0.15 -2.17 0.08 0.00 -1.43 0.00 0.00 32.58 29.21 3a6h s HIS 203 CO -0.05 0.00 1.18 -2.14 -2.00 0.00 0.00 174.74 171.73 3a6h s PRO 204 N -4.06 1.75 0.27 -0.38 0.02 -1.26 -4.01 135.00 127.32 3a6h s PRO 204 Ca 0.45 1.65 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 3a6h s PRO 204 Cb -0.10 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.49 3a6h s PRO 204 CO 0.35 -2.11 1.48 -2.30 -0.33 0.00 0.00 177.00 174.10 3a6h n PRO 205 N -3.31 2.33 -2.11 5.54 -0.02 -1.26 -4.80 135.00 131.38 3a6h n PRO 205 Ca 0.13 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 62.03 3a6h n PRO 205 Cb 0.51 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 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 -0.11 3.54 0.04 3.55 0.00 -0.19 -5.02 121.76 123.58 3a6h s ALA 206 Ca 0.65 1.25 0.06 0.00 0.00 0.00 0.00 51.96 53.92 3a6h s ALA 206 Cb -0.58 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.02 3a6h s ALA 206 CO 0.50 -0.65 -0.16 0.95 0.00 0.00 0.00 175.76 176.40 3a6h s THR 207 N -0.51 1.26 0.07 0.00 -4.23 -1.26 -4.93 115.64 106.04 3a6h s THR 207 Ca 0.54 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 3a6h s THR 207 Cb -0.40 -1.13 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 3a6h s THR 207 CO 0.47 0.04 -0.05 -0.36 -0.54 0.00 0.00 174.62 174.17 3a6h s PHE 208 N -0.87 0.72 0.90 3.99 0.40 -1.26 -5.08 117.98 116.78 3a6h s PHE 208 Ca 0.03 -0.89 -0.12 0.00 -0.60 0.00 0.00 56.93 55.34 3a6h s PHE 208 Cb -0.08 -0.45 0.13 0.00 0.51 0.00 0.00 43.02 43.13 3a6h s PHE 208 CO 0.02 -0.21 1.14 -1.25 0.70 0.00 0.00 175.22 175.61 3a6h s PRO 209 N -3.48 1.21 0.00 0.24 0.04 -1.26 -4.89 135.00 126.86 3a6h s PRO 209 Ca 0.06 0.30 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 3a6h s PRO 209 Cb 0.04 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 3a6h s PRO 209 CO -0.06 -2.15 1.79 -0.35 0.04 0.00 0.00 177.00 176.27 3a6h n PRO 210 N -3.74 0.90 -3.86 0.56 -0.04 -1.26 -4.79 135.00 122.78 3a6h n PRO 210 Ca 0.07 -0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 3a6h n PRO 210 Cb 0.59 -1.16 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 3a6h n PRO 210 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3a6h s TYR 211 N 0.43 -0.03 0.12 0.54 -0.85 -1.26 -5.18 117.35 111.13 3a6h s TYR 211 Ca 0.05 -0.37 0.11 0.00 -0.52 0.00 0.00 57.07 56.34 3a6h s TYR 211 Cb 0.02 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.81 3a6h s TYR 211 CO 0.00 -1.08 -0.27 0.34 -1.52 0.00 0.00 175.55 173.02 3a6h s ASP 212 N -2.93 3.29 -0.04 -0.18 2.15 -1.26 -5.09 116.67 112.61 3a6h s ASP 212 Ca 0.14 -0.73 0.05 0.00 0.43 0.00 0.00 52.55 52.43 3a6h s ASP 212 Cb -0.03 -0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 42.36 3a6h s ASP 212 CO 0.05 0.18 -0.18 -0.69 -0.17 0.00 0.00 175.17 174.36 3a6h s VAL 213 N -1.04 1.51 -0.01 1.11 1.01 -1.26 -5.13 120.40 116.58 3a6h s VAL 213 Ca 0.14 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3a6h s VAL 213 Cb -0.10 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 3a6h s VAL 213 CO 0.06 0.43 -0.08 -0.36 0.00 0.00 0.00 175.10 175.15 3a6h s PHE 214 N -0.13 0.72 0.68 5.22 0.08 -1.26 -3.80 117.98 119.48 3a6h s PHE 214 Ca -0.00 -0.14 -0.17 0.00 0.12 0.00 0.00 56.93 56.73 3a6h s PHE 214 Cb -0.10 -0.48 -0.00 0.00 -0.57 0.00 0.00 43.02 41.86 3a6h s PHE 214 CO 0.01 -0.03 1.19 -2.30 -0.10 0.00 0.00 175.22 174.00 3a6h n PRO 215 N 3.01 0.87 -1.74 0.24 -0.02 -1.26 -5.07 135.00 131.04 3a6h n PRO 215 Ca -0.15 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3a6h n PRO 215 Cb 0.57 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3a6h n PRO 215 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a6h s VAL 216 N -1.56 2.03 -0.48 -1.45 0.11 -1.25 -4.94 120.40 112.86 3a6h s VAL 216 Ca 0.80 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 59.68 3a6h s VAL 216 Cb -0.37 -3.01 0.05 0.00 -1.53 0.00 0.00 36.38 31.51 3a6h s VAL 216 CO 0.44 0.00 0.58 -0.62 -3.33 0.00 0.00 175.10 172.17 3a6h s ASP 217 N 1.05 6.23 0.55 3.54 3.68 -1.26 -4.95 116.67 125.50 3a6h s ASP 217 Ca 0.73 -0.78 0.34 0.00 2.13 0.00 0.00 52.55 54.97 3a6h s ASP 217 Cb -0.49 -2.28 1.51 0.00 -1.45 0.00 0.00 42.92 40.21 3a6h s ASP 217 CO 0.35 -0.80 1.82 -0.65 0.13 0.00 0.00 175.17 176.03 3a6h h PRO 218 N 8.91 0.00 0.00 4.34 0.11 -1.95 -1.48 132.00 141.92 3a6h h PRO 218 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3a6h h PRO 218 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3a6h h PRO 218 CO 0.91 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 3a6h h ALA 219 N 1.43 1.00 -0.06 -0.75 0.00 -2.00 -2.90 119.26 115.97 3a6h h ALA 219 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3a6h h ALA 219 Cb 2.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3a6h h ALA 219 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 3a6h n ARG 220 N -2.61 1.69 -5.06 0.00 1.74 -0.56 -4.82 116.66 107.05 3a6h n ARG 220 Ca 0.01 -1.01 -0.32 0.00 -0.77 0.00 0.00 57.85 55.76 3a6h n ARG 220 Cb 0.25 -1.46 -0.15 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.94 2.53 0.27 0.55 2.01 -1.10 -4.93 115.64 113.03 3a6h s THR 221 Ca 0.36 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 3a6h s THR 221 Cb 0.20 -1.98 -0.14 0.00 0.01 0.00 0.00 72.50 70.60 3a6h s THR 221 CO 0.31 0.56 1.26 -2.65 -0.69 0.00 0.00 174.62 173.42 3a6h n PRO 222 N 3.00 1.81 -0.30 4.92 -0.02 -1.26 -4.85 135.00 138.29 3a6h n PRO 222 Ca -0.18 0.64 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 3a6h n PRO 222 Cb 0.52 -2.19 0.32 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.19 1.39 0.00 3.55 0.00 -1.90 0.30 119.26 125.79 3a6h h ALA 223 Ca -0.44 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3a6h h ALA 223 Cb 1.30 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 3a6h h ALA 223 CO 0.68 -0.48 -0.04 -1.35 0.00 0.00 0.00 179.25 178.07 3a6h h PRO 224 N 0.24 0.00 0.00 0.00 0.11 -1.98 -3.46 132.00 126.91 3a6h h PRO 224 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 3a6h h PRO 224 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3a6h h PRO 224 CO -0.64 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 177.59 3a6h n GLY 225 N -0.73 2.95 3.83 -0.55 0.00 0.10 -3.71 105.19 107.07 3a6h n GLY 225 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.72 4.43 -0.92 2.61 -4.23 -1.26 -4.50 115.64 109.05 3a6h s THR 226 Ca 0.00 1.42 0.22 0.00 -1.18 0.00 0.00 61.69 62.15 3a6h s THR 226 Cb 0.00 -3.63 -0.19 0.00 1.34 0.00 0.00 72.50 70.02 3a6h s THR 226 CO 0.00 -0.40 0.97 0.18 -0.54 0.00 0.00 174.62 174.82 3a6h n LEU 227 N -0.85 0.83 -3.49 4.79 4.77 -0.87 -4.35 117.00 117.84 3a6h n LEU 227 Ca 0.07 -0.36 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 3a6h n LEU 227 Cb 0.54 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3a6h n LEU 227 CO 0.39 0.20 0.36 -0.94 -1.33 0.00 0.00 177.39 176.07 3a6h s SER 228 N -3.15 -0.53 0.14 -1.43 1.04 -1.06 -1.02 113.70 107.70 3a6h s SER 228 Ca 0.07 0.15 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 3a6h s SER 228 Cb 0.16 0.55 -0.07 0.00 0.10 0.00 0.00 66.02 66.77 3a6h s SER 228 CO 0.84 -0.83 1.03 -0.55 0.98 0.00 0.00 173.24 174.70 3a6h s SER 229 N -2.28 7.39 -0.20 7.02 0.15 -1.26 -4.08 113.70 120.44 3a6h s SER 229 Ca -0.03 1.93 0.15 0.00 0.70 0.00 0.00 55.95 58.71 3a6h s SER 229 Cb -0.00 -2.60 0.80 0.00 -1.71 0.00 0.00 66.02 62.51 3a6h s SER 229 CO -0.06 -0.14 1.72 0.00 1.20 0.00 0.00 173.24 175.96 3a6h n ALA 230 N 2.60 3.68 -0.21 5.45 0.00 -1.26 -3.98 120.51 126.79 3a6h n ALA 230 Ca 0.03 -1.82 0.13 0.00 0.00 0.00 0.00 53.44 51.78 3a6h n ALA 230 Cb 0.48 -1.10 0.44 0.00 0.00 0.00 0.00 19.45 19.26 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 4.02 0.54 -0.50 0.00 3.64 -1.93 -0.94 116.57 121.42 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 1.84 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.54 3a6h h LYS 231 CO 0.43 0.36 0.00 0.25 -2.27 0.00 0.00 179.45 178.22 3a6h n THR 232 N -4.51 0.77 -1.97 1.00 -2.24 -1.26 -4.94 114.28 101.12 3a6h n THR 232 Ca 0.15 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 3a6h n THR 232 Cb 0.47 0.07 0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.61 2.66 0.08 6.98 0.00 -0.36 -5.05 121.76 124.46 3a6h s ALA 233 Ca 0.26 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.42 3a6h s ALA 233 Cb 0.16 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 20.09 3a6h s ALA 233 CO 0.15 -0.94 0.67 -1.54 0.00 0.00 0.00 175.76 174.09 3a6h s SER 234 N -2.67 -0.56 0.41 0.00 1.04 -1.26 -4.96 113.70 105.69 3a6h s SER 234 Ca 0.65 0.20 0.15 0.00 0.48 0.00 0.00 55.95 57.43 3a6h s SER 234 Cb -0.18 0.55 0.87 0.00 0.10 0.00 0.00 66.02 67.36 3a6h s SER 234 CO 0.38 -0.82 1.89 0.08 0.98 0.00 0.00 173.24 175.75 3a6h h ARG 235 N 2.27 0.00 -0.52 4.02 0.11 -1.86 -1.62 114.38 116.78 3a6h h ARG 235 Ca -0.30 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.67 3a6h h ARG 235 Cb 1.25 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.32 3a6h h ARG 235 CO 0.37 0.30 -0.11 0.93 0.10 0.00 0.00 179.97 181.56 3a6h h GLU 236 N 0.00 0.98 -0.52 0.08 3.07 -1.96 0.24 114.58 116.47 3a6h h GLU 236 Ca -0.00 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.41 3a6h h GLU 236 Cb 0.55 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 3a6h h GLU 236 CO 0.04 1.03 -0.06 0.87 -1.40 0.00 0.00 179.01 179.48 3a6h h LYS 237 N 0.87 0.93 -0.65 2.33 1.57 -1.79 -1.96 116.57 117.86 3a6h h LYS 237 Ca 0.14 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3a6h h LYS 237 Cb 0.66 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 3a6h h LYS 237 CO 0.05 0.95 0.15 0.78 -0.57 0.00 0.00 179.45 180.81 3a6h h GLY 238 N 0.98 1.11 1.18 3.86 0.00 -0.77 -0.88 103.07 108.55 3a6h h GLY 238 Ca 0.14 -0.68 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 3a6h h GLY 238 CO 0.04 0.64 0.07 0.83 0.00 0.00 0.00 176.54 178.11 3a6h h GLU 239 N 0.98 1.00 -0.01 4.80 5.08 -0.22 -0.95 114.58 125.26 3a6h h GLU 239 Ca 0.21 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3a6h h GLU 239 Cb 0.36 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3a6h h GLU 239 CO 0.00 0.94 0.00 1.25 -1.00 0.00 0.00 179.01 180.21 3a6h h LEU 240 N 0.93 0.02 -0.52 1.33 5.85 -1.01 -2.29 115.31 119.62 3a6h h LEU 240 Ca 0.18 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.73 3a6h h LEU 240 Cb 0.45 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3a6h h LEU 240 CO 0.02 0.24 0.24 0.40 -0.34 0.00 0.00 178.44 178.99 3a6h h ILE 241 N -0.20 0.91 -0.25 4.05 2.04 -0.98 -1.89 117.51 121.19 3a6h h ILE 241 Ca 0.00 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3a6h h ILE 241 Cb 0.23 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3a6h h ILE 241 CO 0.00 0.08 0.15 0.25 0.00 0.00 0.00 178.15 178.64 3a6h h LEU 242 N 0.46 0.29 -0.73 1.44 5.85 -1.11 -0.89 115.31 120.62 3a6h h LEU 242 Ca 0.24 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 3a6h h LEU 242 Cb 0.19 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3a6h h LEU 242 CO -0.19 0.24 0.31 -0.08 -0.34 0.00 0.00 178.44 178.37 3a6h h GLU 243 N 0.32 1.08 -0.59 1.25 4.57 -1.15 0.97 114.58 121.03 3a6h h GLU 243 Ca 0.09 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 3a6h h GLU 243 Cb -0.01 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 3a6h h GLU 243 CO -0.02 0.88 0.19 0.28 -1.18 0.00 0.00 179.01 179.16 3a6h h VAL 244 N 1.04 1.24 -0.09 0.32 2.07 -1.12 -1.44 116.25 118.27 3a6h h VAL 244 Ca 0.25 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 3a6h h VAL 244 Cb 0.19 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3a6h h VAL 244 CO -0.02 0.31 -0.11 0.00 0.02 0.00 0.00 177.57 177.77 3a6h h VAL 246 N -0.21 1.07 -0.08 0.00 2.07 -0.79 0.34 116.25 118.66 3a6h h VAL 246 Ca 0.01 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3a6h h VAL 246 Cb 0.64 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3a6h h VAL 246 CO 0.03 0.13 -0.04 -0.61 0.02 0.00 0.00 177.57 177.10 3a6h h GLN 247 N 0.73 0.16 -0.51 1.57 5.75 -1.31 -0.97 115.11 120.54 3a6h h GLN 247 Ca 0.24 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3a6h h GLN 247 Cb 0.02 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 3a6h h GLN 247 CO -0.10 0.53 0.24 0.78 -2.65 0.00 0.00 178.83 177.64 3a6h h GLY 248 N -0.21 0.78 1.08 2.39 0.00 -1.07 -1.78 103.07 104.26 3a6h h GLY 248 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 46.80 3a6h h GLY 248 CO 0.01 0.37 -0.44 -2.22 0.00 0.00 0.00 176.54 174.26 3a6h h ILE 249 N 0.67 1.29 -0.74 2.60 2.04 -0.98 -1.96 117.51 120.43 3a6h h ILE 249 Ca 0.17 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.42 3a6h h ILE 249 Cb 0.12 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 3a6h h ILE 249 CO -0.02 0.53 0.48 0.00 0.00 0.00 0.00 178.15 179.14 3a6h h ALA 250 N 0.69 0.95 -0.54 1.87 0.00 -1.09 -0.84 119.26 120.31 3a6h h ALA 250 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3a6h h ALA 250 Cb 1.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3a6h h ALA 250 CO 0.10 0.31 -0.10 -0.44 0.00 0.00 0.00 179.25 179.13 3a6h h ASP 251 N 0.96 1.00 -0.82 0.00 3.32 -1.26 -2.22 116.42 117.41 3a6h h ASP 251 Ca 0.28 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 3a6h h ASP 251 Cb -0.06 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 3a6h h ASP 251 CO -0.08 1.11 0.41 0.00 -1.72 0.00 0.00 179.24 178.96 3a6h h ALA 252 N 0.98 1.05 -0.37 3.45 0.00 -0.78 -1.61 119.26 121.99 3a6h h ALA 252 Ca 0.14 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3a6h h ALA 252 Cb 0.65 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3a6h h ALA 252 CO 0.05 0.60 -0.28 0.82 0.00 0.00 0.00 179.25 180.43 3a6h h ILE 253 N 1.15 1.28 -0.24 0.00 2.04 -0.99 -0.83 117.51 119.92 3a6h h ILE 253 Ca 0.28 -1.42 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 3a6h h ILE 253 Cb 0.09 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3a6h h ILE 253 CO -0.04 0.47 -0.20 0.03 0.00 0.00 0.00 178.15 178.42 3a6h h ARG 254 N 0.66 0.42 -0.20 2.37 3.08 -1.10 0.64 114.38 120.26 3a6h h ARG 254 Ca 0.08 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 3a6h h ARG 254 Cb 0.81 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3a6h h ARG 254 CO 0.07 0.61 -0.31 1.49 -1.07 0.00 0.00 179.97 180.75 3a6h h GLU 255 N 0.39 0.56 0.00 0.04 4.57 -1.01 -2.88 114.58 116.25 3a6h h GLU 255 Ca 0.07 -0.34 -0.20 0.00 -1.18 0.00 0.00 59.36 57.70 3a6h h GLU 255 Cb 0.56 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3a6h h GLU 255 CO 0.04 0.94 -1.22 0.93 -1.18 0.00 0.00 179.01 178.52 3a6h h GLU 256 N 0.23 0.00 -2.17 1.92 4.39 -0.99 -3.39 114.58 114.58 3a6h h GLU 256 Ca 0.02 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.14 3a6h h GLU 256 Cb 0.89 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.13 3a6h h GLU 256 CO 0.07 0.58 -0.77 1.19 -1.16 0.00 0.00 179.01 178.92 3a6h n PHE 257 N -3.12 2.67 -1.69 4.33 3.72 0.22 -5.08 117.46 118.52 3a6h n PHE 257 Ca -0.07 -3.97 -0.33 0.00 -0.05 0.00 0.00 57.45 53.03 3a6h n PHE 257 Cb 0.91 -0.49 0.06 0.00 -0.94 0.00 0.00 39.48 39.02 3a6h n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3a6h s PRO 258 N -2.57 2.66 0.00 -1.08 0.04 -1.09 -4.61 135.00 128.35 3a6h s PRO 258 Ca 0.42 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.97 3a6h s PRO 258 Cb 0.22 -1.93 0.26 0.00 0.04 0.00 0.00 34.50 33.10 3a6h s PRO 258 CO -0.08 -1.37 0.74 -0.35 0.04 0.00 0.00 177.00 175.98