#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 6.37 0.00 3.14 0.15 -1.26 -5.00 113.70 117.11 3a6h s SER 4 Ca 0.00 0.38 0.21 0.00 0.70 0.00 0.00 55.95 57.24 3a6h s SER 4 Cb 0.00 -2.00 0.06 0.00 -1.71 0.00 0.00 66.02 62.37 3a6h s SER 4 CO 0.00 -0.06 1.09 1.33 1.20 0.00 0.00 173.24 176.80 3a6h n VAL 5 N -0.81 0.00 -3.21 4.45 0.24 -1.26 -4.90 118.33 112.84 3a6h n VAL 5 Ca -0.05 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.34 61.48 3a6h n VAL 5 Cb 0.54 1.33 -0.07 0.00 -1.47 0.00 0.00 33.84 34.16 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 -2.13 3.23 0.36 6.34 0.40 -1.26 0.52 117.98 125.43 3a6h s PHE 6 Ca 0.20 0.48 0.12 0.00 -0.60 0.00 0.00 56.93 57.14 3a6h s PHE 6 Cb 0.17 -2.84 0.92 0.00 0.51 0.00 0.00 43.02 41.78 3a6h s PHE 6 CO 0.43 -0.40 1.82 0.28 0.70 0.00 0.00 175.22 178.04 3a6h h VAL 7 N 5.50 0.70 0.00 -0.44 2.07 -1.57 -0.43 116.25 122.08 3a6h h VAL 7 Ca -0.28 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3a6h h VAL 7 Cb 1.13 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3a6h h VAL 7 CO 0.75 0.11 -0.02 1.23 0.02 0.00 0.00 177.57 179.66 3a6h h GLY 8 N 0.59 0.00 -0.49 2.17 0.00 -1.93 -2.02 103.07 101.39 3a6h h GLY 8 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3a6h h GLY 8 CO -0.27 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.45 3a6h n GLU 9 N -4.41 1.66 -3.85 4.80 1.02 -0.17 -4.91 120.64 114.77 3a6h n GLU 9 Ca -0.03 -0.96 -0.22 0.00 -0.02 0.00 0.00 57.16 55.93 3a6h n GLU 9 Cb 0.10 -1.47 -0.02 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 -1.93 4.26 0.55 -4.62 1.43 -0.76 -4.98 118.68 112.64 3a6h s LEU 10 Ca 0.37 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 3a6h s LEU 10 Cb 0.20 -2.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 3a6h s LEU 10 CO 0.32 -0.10 0.86 0.42 0.23 0.00 0.00 176.35 178.08 3a6h s THR 11 N -2.02 4.05 0.41 5.49 -4.23 -1.26 -4.92 115.64 113.15 3a6h s THR 11 Ca 0.35 0.06 0.25 0.00 -1.18 0.00 0.00 61.69 61.17 3a6h s THR 11 Cb -0.09 -3.58 0.26 0.00 1.34 0.00 0.00 72.50 70.43 3a6h s THR 11 CO 0.30 -0.59 2.04 4.11 -0.54 0.00 0.00 174.62 179.95 3a6h h TRP 12 N -0.04 0.00 -0.38 3.99 5.08 -1.99 -2.03 115.95 120.58 3a6h h TRP 12 Ca -0.46 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.35 3a6h h TRP 12 Cb 1.24 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.39 3a6h h TRP 12 CO 0.51 0.14 -0.38 0.87 -1.28 0.00 0.00 178.44 178.30 3a6h h LYS 13 N 0.00 0.92 -0.42 0.12 1.79 -1.99 -0.06 116.57 116.93 3a6h h LYS 13 Ca -0.00 -0.48 -0.14 0.00 -2.18 0.00 0.00 60.65 57.84 3a6h h LYS 13 Cb 0.36 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3a6h h LYS 13 CO 0.02 1.14 -0.30 0.93 -1.08 0.00 0.00 179.45 180.16 3a6h h GLU 14 N 0.75 0.93 -0.27 3.15 5.08 -1.82 -1.97 114.58 120.44 3a6h h GLU 14 Ca 0.06 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 3a6h h GLU 14 Cb 0.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3a6h h GLU 14 CO 0.09 1.09 0.02 -0.92 -1.00 0.00 0.00 179.01 178.30 3a6h h TYR 15 N 0.78 0.49 -0.91 4.33 3.20 -1.30 -2.42 116.97 121.15 3a6h h TYR 15 Ca 0.09 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.94 3a6h h TYR 15 Cb 0.87 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.95 3a6h h TYR 15 CO 0.05 0.59 0.58 1.49 -1.64 0.00 0.00 178.16 179.23 3a6h h GLU 16 N 0.25 1.02 -0.57 1.82 4.81 -0.92 -1.70 114.58 119.29 3a6h h GLU 16 Ca 0.08 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3a6h h GLU 16 Cb 0.38 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3a6h h GLU 16 CO 0.01 0.68 0.14 0.00 -0.73 0.00 0.00 179.01 179.10 3a6h h ALA 17 N 1.42 0.75 -0.12 2.92 0.00 -1.20 0.70 119.26 123.75 3a6h h ALA 17 Ca 0.40 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3a6h h ALA 17 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a6h h ALA 17 CO -0.17 0.46 -0.36 0.00 0.00 0.00 0.00 179.25 179.18 3a6h h ARG 18 N 0.82 0.24 0.09 0.00 2.47 -0.92 -2.78 114.38 114.30 3a6h h ARG 18 Ca 0.18 -0.10 -0.26 0.00 -1.26 0.00 0.00 59.98 58.54 3a6h h ARG 18 Cb 0.35 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3a6h h ARG 18 CO 0.00 0.57 -1.16 0.28 0.56 0.00 0.00 179.97 180.22 3a6h h VAL 19 N 0.20 1.53 -0.10 2.04 2.07 -1.12 -3.21 116.25 117.66 3a6h h VAL 19 Ca 0.02 -3.05 0.03 0.00 0.82 0.00 0.00 66.70 64.53 3a6h h VAL 19 Cb 0.74 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3a6h h VAL 19 CO 0.06 0.89 0.09 0.00 0.02 0.00 0.00 177.57 178.62 3a6h h ALA 20 N 0.68 1.94 -0.61 1.67 0.00 -0.62 -0.24 119.26 122.07 3a6h h ALA 20 Ca -0.11 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.92 3a6h h ALA 20 Cb 1.89 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 3a6h h ALA 20 CO 0.19 -0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.71 3a6h h ALA 21 N 1.93 2.15 0.00 0.00 0.00 -1.50 -3.46 119.26 118.38 3a6h h ALA 21 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a6h h ALA 21 Cb 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a6h h ALA 21 CO -0.00 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.36 3a6h n GLY 22 N -1.55 0.85 0.48 0.00 0.00 -0.10 -4.89 105.19 99.98 3a6h n GLY 22 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 1.56 -4.72 1.61 3.85 -1.26 -5.03 116.55 112.56 3a6h n ASP 23 Ca 0.00 -2.97 -0.42 0.00 -0.71 0.00 0.00 54.79 50.69 3a6h n ASP 23 Cb 0.00 -0.40 -0.03 0.00 -1.35 0.00 0.00 41.12 39.34 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 0.90 4.14 0.11 0.00 1.01 -1.26 -4.35 120.40 120.95 3a6h s VAL 25 Ca 0.60 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.38 3a6h s VAL 25 Cb -0.33 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 3a6h s VAL 25 CO 0.31 0.51 -0.09 -0.76 0.00 0.00 0.00 175.10 175.07 3a6h s LEU 26 N 0.09 3.06 -0.05 3.92 1.43 -0.74 -1.53 118.68 124.87 3a6h s LEU 26 Ca 0.01 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3a6h s LEU 26 Cb -0.13 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.25 3a6h s LEU 26 CO 0.02 0.17 -0.12 -0.04 0.23 0.00 0.00 176.35 176.61 3a6h s MET 27 N -2.26 1.49 -0.27 1.70 -1.94 0.49 -0.43 119.30 118.09 3a6h s MET 27 Ca 0.22 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 53.80 3a6h s MET 27 Cb -0.11 -1.29 0.07 0.00 2.01 0.00 0.00 34.83 35.51 3a6h s MET 27 CO 0.14 0.11 -0.07 -1.17 -0.01 0.00 0.00 175.02 174.02 3a6h s LEU 28 N 0.37 3.44 0.22 -0.03 2.96 0.40 0.05 118.68 126.08 3a6h s LEU 28 Ca -0.08 -1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 52.06 3a6h s LEU 28 Cb -0.13 -1.47 -0.08 0.00 0.50 0.00 0.00 46.19 45.01 3a6h s LEU 28 CO 0.02 -0.23 1.09 -2.84 -1.32 0.00 0.00 176.35 173.07 3a6h s PRO 29 N 1.14 4.63 -0.22 0.98 0.02 -1.26 -1.62 135.00 138.67 3a6h s PRO 29 Ca -0.05 1.73 0.00 0.00 0.02 0.00 0.00 61.00 62.70 3a6h s PRO 29 Cb -0.20 -3.25 0.06 0.00 0.02 0.00 0.00 34.50 31.13 3a6h s PRO 29 CO -0.06 0.15 -0.05 0.08 -0.33 0.00 0.00 177.00 176.79 3a6h s VAL 30 N -0.61 1.39 0.00 3.83 1.01 0.00 -1.41 120.40 124.61 3a6h s VAL 30 Ca 0.47 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3a6h s VAL 30 Cb -0.30 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.43 3a6h s VAL 30 CO 0.37 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3a6h n GLY 31 N 4.74 3.76 3.62 4.51 0.00 -0.48 -1.03 105.19 120.30 3a6h n GLY 31 Ca -0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 -2.25 -0.43 4.61 0.00 -1.23 -3.00 121.76 117.45 3a6h s ALA 32 Ca 0.00 1.65 -0.08 0.00 0.00 0.00 0.00 51.96 53.52 3a6h s ALA 32 Cb 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 23.12 23.00 3a6h s ALA 32 CO 0.00 -0.67 0.28 -1.17 0.00 0.00 0.00 175.76 174.20 3a6h s LEU 33 N -2.27 5.34 -0.03 0.00 2.96 -1.14 -4.34 118.68 119.20 3a6h s LEU 33 Ca 0.12 -1.71 -0.03 0.00 -0.22 0.00 0.00 54.13 52.29 3a6h s LEU 33 Cb 0.01 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3a6h s LEU 33 CO -0.03 -0.59 0.09 -0.70 -1.32 0.00 0.00 176.35 173.79 3a6h s GLU 34 N 1.37 0.16 0.48 1.98 2.12 -0.57 -1.43 118.70 122.81 3a6h s GLU 34 Ca 0.04 0.01 -0.23 0.00 0.36 0.00 0.00 54.97 55.15 3a6h s GLU 34 Cb -0.24 0.07 -0.08 0.00 0.26 0.00 0.00 34.13 34.14 3a6h s GLU 34 CO 0.00 -0.03 1.19 0.00 -0.54 0.00 0.00 175.26 175.89 3a6h n GLN 35 N 2.74 1.60 -2.71 4.30 -0.00 -1.26 -4.43 117.38 117.62 3a6h n GLN 35 Ca -0.14 0.58 -0.06 0.00 -0.00 0.00 0.00 57.00 57.38 3a6h n GLN 35 Cb 0.59 -2.33 0.04 0.00 -0.00 0.00 0.00 30.24 28.54 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 -0.70 1.43 -1.66 2.61 8.25 -1.26 -4.99 115.22 118.91 3a6h n HIS 36 Ca 0.09 -2.38 0.00 0.00 -0.26 0.00 0.00 57.72 55.17 3a6h n HIS 36 Cb 0.42 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.44 -2.30 0.12 -1.41 0.00 -1.25 -3.88 105.19 96.03 3a6h n GLY 37 Ca 0.12 -1.71 0.13 0.00 0.00 0.00 0.00 46.02 44.56 3a6h n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a6h n HIS 38 N -0.18 0.00 0.68 1.61 8.25 -1.26 -4.21 115.22 120.10 3a6h n HIS 38 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 3a6h n HIS 38 Cb 0.00 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 30.93 3a6h n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3a6h n HIS 39 N -1.06 0.00 -4.21 4.41 1.44 -1.26 -4.82 115.22 109.72 3a6h n HIS 39 Ca 0.10 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.69 3a6h n HIS 39 Cb 0.33 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.70 1.00 0.90 -1.40 -1.94 -1.25 -1.28 119.30 113.62 3a6h s MET 40 Ca 0.14 -1.46 -0.12 0.00 -1.71 0.00 0.00 55.69 52.54 3a6h s MET 40 Cb 0.13 -0.19 0.13 0.00 2.01 0.00 0.00 34.83 36.91 3a6h s MET 40 CO 0.34 -0.11 1.14 0.00 -0.01 0.00 0.00 175.02 176.38 3a6h n MET 42 N -3.73 0.80 -0.95 0.00 0.00 -1.26 -4.08 117.12 107.90 3a6h n MET 42 Ca 0.07 -0.42 0.02 0.00 0.00 0.00 0.00 57.70 57.36 3a6h n MET 42 Cb 0.59 -1.49 0.36 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 -0.73 5.36 -0.24 7.83 2.04 -1.26 -1.52 115.26 126.74 3a6h n ASN 43 Ca 0.13 -3.06 0.04 0.00 -0.44 0.00 0.00 54.58 51.24 3a6h n ASN 43 Cb 0.33 -0.71 0.16 0.00 -2.53 0.00 0.00 39.78 37.03 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 3.42 0.63 0.00 3.53 2.07 -1.82 -1.30 116.25 122.78 3a6h h VAL 44 Ca 0.11 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3a6h h VAL 44 Cb 2.14 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3a6h h VAL 44 CO 0.60 0.07 0.00 0.47 0.02 0.00 0.00 177.57 178.73 3a6h n ASP 45 N -5.06 0.08 -0.13 0.57 10.43 -1.26 -1.66 116.55 119.52 3a6h n ASP 45 Ca 0.13 0.53 -0.26 0.00 2.57 0.00 0.00 54.79 57.75 3a6h n ASP 45 Cb 0.40 -0.54 -0.09 0.00 1.84 0.00 0.00 41.12 42.72 3a6h n ASP 45 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3a6h n VAL 46 N -1.59 1.39 0.05 2.53 0.31 -0.60 -3.87 118.33 116.55 3a6h n VAL 46 Ca 0.02 -0.37 -0.11 0.00 -0.01 0.00 0.00 64.34 63.87 3a6h n VAL 46 Cb 0.09 -1.80 -0.04 0.00 -0.91 0.00 0.00 33.84 31.18 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 -0.82 -0.70 0.80 7.52 3.38 -1.01 -2.03 115.31 122.44 3a6h h LEU 47 Ca -0.63 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 3a6h h LEU 47 Cb 1.59 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.63 3a6h h LEU 47 CO -0.36 -0.30 -0.43 -0.07 0.09 0.00 0.00 178.44 177.37 3a6h h LEU 48 N -0.36 -1.04 -1.60 1.67 3.38 -1.58 0.07 115.31 115.85 3a6h h LEU 48 Ca 0.07 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3a6h h LEU 48 Cb 0.45 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3a6h h LEU 48 CO -0.22 -0.69 0.31 1.55 0.09 0.00 0.00 178.44 179.48 3a6h h PRO 49 N -1.13 0.51 -0.46 1.13 0.13 -1.77 -1.09 132.00 129.33 3a6h h PRO 49 Ca -0.11 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.93 3a6h h PRO 49 Cb 0.88 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 3a6h h PRO 49 CO 0.15 0.34 0.05 1.15 -0.23 0.00 0.00 178.00 179.46 3a6h h THR 50 N 0.53 1.25 -0.31 1.56 2.02 -1.14 -0.08 112.91 116.75 3a6h h THR 50 Ca 0.19 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3a6h h THR 50 Cb 0.10 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 3a6h h THR 50 CO -0.05 0.33 0.14 0.00 0.37 0.00 0.00 175.52 176.32 3a6h h ALA 51 N 0.94 0.40 -0.68 6.16 0.00 -0.16 -1.03 119.26 124.89 3a6h h ALA 51 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a6h h ALA 51 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3a6h h ALA 51 CO 0.01 -0.03 0.38 0.28 0.00 0.00 0.00 179.25 179.90 3a6h h VAL 52 N 0.36 1.21 -0.70 0.00 2.07 -1.11 -2.27 116.25 115.81 3a6h h VAL 52 Ca 0.11 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 3a6h h VAL 52 Cb 0.13 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 3a6h h VAL 52 CO -0.01 0.23 0.43 0.00 0.02 0.00 0.00 177.57 178.24 3a6h h LYS 54 N 0.96 -0.05 -0.66 0.00 3.64 -0.81 0.31 116.57 119.96 3a6h h LYS 54 Ca 0.25 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 3a6h h LYS 54 Cb -0.05 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3a6h h LYS 54 CO -0.05 -0.02 0.20 0.00 -2.27 0.00 0.00 179.45 177.30 3a6h h ARG 55 N -0.06 1.04 -0.18 1.90 3.08 -1.28 -0.34 114.38 118.54 3a6h h ARG 55 Ca -0.01 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 3a6h h ARG 55 Cb 0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3a6h h ARG 55 CO 0.01 0.91 0.00 0.28 -1.07 0.00 0.00 179.97 180.11 3a6h h VAL 56 N 0.97 1.25 -0.84 2.04 2.07 -0.98 -2.67 116.25 118.09 3a6h h VAL 56 Ca 0.21 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.97 3a6h h VAL 56 Cb 0.31 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 3a6h h VAL 56 CO -0.00 0.25 0.51 0.00 0.02 0.00 0.00 177.57 178.34 3a6h h ALA 57 N 0.78 1.16 -0.86 1.67 0.00 -0.16 -1.46 119.26 120.39 3a6h h ALA 57 Ca 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3a6h h ALA 57 Cb 0.37 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3a6h h ALA 57 CO 0.01 0.21 0.46 0.93 0.00 0.00 0.00 179.25 180.86 3a6h h GLU 58 N 0.90 1.20 -0.06 0.00 5.08 -0.95 0.13 114.58 120.87 3a6h h GLU 58 Ca 0.38 -0.14 -0.18 0.00 -1.00 0.00 0.00 59.36 58.42 3a6h h GLU 58 Cb 0.23 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3a6h h GLU 58 CO -0.20 0.89 -0.72 0.00 -1.00 0.00 0.00 179.01 177.98 3a6h h ARG 59 N 1.20 0.33 -0.01 2.33 3.08 -0.98 -3.33 114.38 117.01 3a6h h ARG 59 Ca 0.30 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3a6h h ARG 59 Cb 0.04 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3a6h h ARG 59 CO -0.05 0.91 -0.41 0.44 -1.07 0.00 0.00 179.97 179.79 3a6h n ILE 60 N -3.82 0.00 -1.93 2.04 -5.35 -0.64 -5.00 119.36 104.67 3a6h n ILE 60 Ca -0.04 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 3a6h n ILE 60 Cb 0.70 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.77 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 1.22 0.64 4.00 3.28 0.00 0.34 -5.05 105.19 109.61 3a6h n GLY 61 Ca 0.06 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.23 4.57 0.12 4.61 0.00 -0.62 -4.70 121.76 123.51 3a6h s ALA 62 Ca 0.00 -1.89 0.10 0.00 0.00 0.00 0.00 51.96 50.17 3a6h s ALA 62 Cb 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3a6h s ALA 62 CO 0.00 -0.59 -0.25 -0.51 0.00 0.00 0.00 175.76 174.41 3a6h s LEU 63 N -4.48 2.31 -0.20 0.00 1.43 -0.58 -4.63 118.68 112.53 3a6h s LEU 63 Ca 0.55 -0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3a6h s LEU 63 Cb -0.06 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 45.02 3a6h s LEU 63 CO 0.34 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 176.29 3a6h s VAL 64 N -1.09 3.05 0.65 -1.59 1.01 0.18 -0.38 120.40 122.23 3a6h s VAL 64 Ca 0.12 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 3a6h s VAL 64 Cb -0.10 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3a6h s VAL 64 CO 0.06 0.46 1.05 -0.04 0.00 0.00 0.00 175.10 176.62 3a6h s MET 65 N 1.28 3.22 0.28 2.72 -1.94 0.11 -1.36 119.30 123.62 3a6h s MET 65 Ca 0.03 0.96 -0.30 0.00 -1.71 0.00 0.00 55.69 54.67 3a6h s MET 65 Cb -0.14 -2.03 -0.12 0.00 2.01 0.00 0.00 34.83 34.55 3a6h s MET 65 CO -0.04 -0.87 1.55 -2.30 -0.01 0.00 0.00 175.02 173.34 3a6h n PRO 66 N -2.71 2.54 -2.11 2.03 -0.02 -1.26 -4.46 135.00 129.01 3a6h n PRO 66 Ca 0.07 0.90 -0.32 0.00 -2.02 0.00 0.00 63.50 62.13 3a6h n PRO 66 Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.42 2.07 -0.27 -1.23 0.00 -1.26 -4.70 107.32 102.35 3a6h s GLY 67 Ca 0.65 0.31 -0.27 0.00 0.00 0.00 0.00 44.72 45.40 3a6h s GLY 67 CO 0.49 0.61 0.96 1.08 0.00 0.00 0.00 173.10 176.24 3a6h s LEU 68 N -4.45 4.05 0.35 0.66 1.43 -0.50 -4.92 118.68 115.30 3a6h s LEU 68 Ca 0.62 1.08 0.19 0.00 -1.03 0.00 0.00 54.13 54.98 3a6h s LEU 68 Cb -0.14 -3.38 0.28 0.00 0.03 0.00 0.00 46.19 42.98 3a6h s LEU 68 CO 0.37 -0.69 1.55 1.56 0.23 0.00 0.00 176.35 179.37 3a6h h GLN 69 N 7.81 0.00 -5.51 1.70 1.08 -1.90 -1.27 115.11 117.02 3a6h h GLN 69 Ca -0.21 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.31 3a6h h GLN 69 Cb 1.07 0.00 -0.32 0.00 -0.05 0.00 0.00 27.48 28.19 3a6h h GLN 69 CO 0.95 0.31 -0.86 0.71 -0.95 0.00 0.00 178.83 178.99 3a6h s TYR 70 N -3.13 2.57 0.09 2.96 1.51 -1.26 -2.86 117.35 117.22 3a6h s TYR 70 Ca 0.04 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.20 3a6h s TYR 70 Cb 0.07 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 3a6h s TYR 70 CO 0.71 -0.33 0.02 0.41 -1.11 0.00 0.00 175.55 175.24 3a6h n GLY 71 N 3.36 3.79 3.74 0.71 0.00 -1.16 -4.77 105.19 110.86 3a6h n GLY 71 Ca -0.18 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.08 2.41 0.22 1.61 5.04 -1.26 -1.37 117.35 122.92 3a6h s TYR 72 Ca 0.01 1.33 -0.32 0.00 -2.44 0.00 0.00 57.07 55.66 3a6h s TYR 72 Cb -0.00 -3.13 -0.14 0.00 0.35 0.00 0.00 41.96 39.04 3a6h s TYR 72 CO 0.01 -2.20 1.31 1.63 -1.34 0.00 0.00 175.55 174.96 3a6h n LYS 73 N -3.76 1.71 -2.18 4.97 5.02 -1.24 -4.72 118.16 117.96 3a6h n LYS 73 Ca 0.08 0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 56.57 3a6h n LYS 73 Cb 0.55 -2.20 -0.03 0.00 -0.02 0.00 0.00 35.03 33.33 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 0.16 6.86 -0.09 4.39 0.15 -1.26 -4.87 113.70 119.03 3a6h s SER 74 Ca 0.70 2.55 -0.01 0.00 0.70 0.00 0.00 55.95 59.88 3a6h s SER 74 Cb -0.72 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 60.93 3a6h s SER 74 CO 0.51 -0.50 -0.05 -1.10 1.20 0.00 0.00 173.24 173.29 3a6h s GLN 75 N -1.06 3.00 0.19 5.44 -1.52 -1.26 -2.35 119.66 122.09 3a6h s GLN 75 Ca 0.52 -0.52 -0.23 0.00 -1.95 0.00 0.00 55.36 53.18 3a6h s GLN 75 Cb -0.38 -2.69 0.10 0.00 -0.22 0.00 0.00 33.01 29.82 3a6h s GLN 75 CO 0.46 0.57 1.57 0.37 -0.25 0.00 0.00 175.29 178.01 3a6h h GLN 76 N 5.57 -0.14 0.00 2.91 4.15 -1.91 0.57 115.11 126.27 3a6h h GLN 76 Ca -0.45 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3a6h h GLN 76 Cb 1.18 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3a6h h GLN 76 CO 0.55 -0.10 0.00 1.63 -1.93 0.00 0.00 178.83 178.98 3a6h n LYS 77 N -5.42 0.16 0.00 1.69 5.02 -1.26 -2.23 118.16 116.12 3a6h n LYS 77 Ca 0.04 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3a6h n LYS 77 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 -1.33 0.93 -0.16 4.39 3.41 -0.22 -4.83 113.62 115.81 3a6h n SER 78 Ca 0.06 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.69 3a6h n SER 78 Cb 0.13 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 2.95 -1.01 0.00 5.00 0.00 0.18 -4.64 105.19 107.68 3a6h n GLY 79 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.26 3.02 0.00 -0.02 0.00 -0.84 -4.85 105.19 102.77 3a6h n GLY 80 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.03 3.42 0.89 -0.02 0.00 -1.22 -4.41 105.19 102.81 3a6h n GLY 81 Ca 0.00 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.35 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 2.44 -0.06 1.61 5.15 -0.99 -3.74 115.26 119.67 3a6h n ASN 82 Ca 0.00 -2.25 0.12 0.00 -0.60 0.00 0.00 54.58 51.85 3a6h n ASN 82 Cb 0.00 -0.46 0.21 0.00 -0.53 0.00 0.00 39.78 39.00 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 0.27 0.00 -2.61 1.20 1.44 -1.26 -4.92 115.22 109.34 3a6h n HIS 83 Ca 0.10 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.43 3a6h n HIS 83 Cb 0.50 -0.18 -0.05 0.00 0.12 0.00 0.00 29.99 30.39 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 -2.89 3.62 0.90 -1.40 0.40 -1.25 -5.04 117.98 112.33 3a6h s PHE 84 Ca 0.13 1.75 -0.12 0.00 -0.60 0.00 0.00 56.93 58.10 3a6h s PHE 84 Cb 0.18 -3.11 0.13 0.00 0.51 0.00 0.00 43.02 40.73 3a6h s PHE 84 CO 0.69 -0.20 1.11 -1.25 0.70 0.00 0.00 175.22 176.27 3a6h s PRO 85 N -1.73 1.20 0.00 0.24 0.04 -1.26 -3.57 135.00 129.91 3a6h s PRO 85 Ca 0.48 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.03 3a6h s PRO 85 Cb -0.26 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3a6h s PRO 85 CO 0.33 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.57 3a6h n GLY 86 N -1.73 1.93 3.69 0.56 0.00 -1.26 -4.72 105.19 103.67 3a6h n GLY 86 Ca 0.06 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 0.36 -3.89 2.61 -1.04 -1.23 -4.70 114.28 106.39 3a6h n THR 87 Ca 0.00 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 3a6h n THR 87 Cb 0.00 -2.06 -0.15 0.00 -1.82 0.00 0.00 70.33 66.30 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 2.70 1.55 0.10 12.58 2.01 -0.51 -4.98 115.64 129.10 3a6h s THR 88 Ca 0.83 -1.71 0.04 0.00 0.31 0.00 0.00 61.69 61.16 3a6h s THR 88 Cb -0.51 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3a6h s THR 88 CO 0.38 -0.51 0.04 -0.44 -0.69 0.00 0.00 174.62 173.41 3a6h s SER 89 N 1.30 5.23 0.33 3.53 0.01 -1.26 -4.40 113.70 118.44 3a6h s SER 89 Ca 0.07 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.21 3a6h s SER 89 Cb -0.18 -1.31 -0.03 0.00 0.21 0.00 0.00 66.02 64.71 3a6h s SER 89 CO -0.14 0.16 0.52 -0.76 0.41 0.00 0.00 173.24 173.42 3a6h s LEU 90 N -2.47 4.04 0.62 2.44 1.43 -0.47 -4.88 118.68 119.39 3a6h s LEU 90 Ca 0.28 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.56 3a6h s LEU 90 Cb -0.11 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.91 3a6h s LEU 90 CO 0.20 -0.30 1.03 -1.81 0.23 0.00 0.00 176.35 175.71 3a6h s ASP 91 N -4.05 6.03 0.22 2.29 -0.00 -1.26 -3.72 116.67 116.18 3a6h s ASP 91 Ca 0.40 1.53 -0.08 0.00 -0.00 0.00 0.00 52.55 54.40 3a6h s ASP 91 Cb -0.09 -2.49 0.29 0.00 -0.00 0.00 0.00 42.92 40.63 3a6h s ASP 91 CO 0.34 -1.00 1.80 1.23 -0.00 0.00 0.00 175.17 177.55 3a6h h GLY 92 N -0.15 1.05 1.45 0.21 0.00 -1.98 -2.34 103.07 101.31 3a6h h GLY 92 Ca -0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 46.59 3a6h h GLY 92 CO 0.60 0.13 0.16 0.00 0.00 0.00 0.00 176.54 177.43 3a6h h ALA 93 N 1.39 1.39 -0.12 3.60 0.00 -1.99 -0.93 119.26 122.60 3a6h h ALA 93 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3a6h h ALA 93 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3a6h h ALA 93 CO -0.21 0.45 0.03 1.15 0.00 0.00 0.00 179.25 180.67 3a6h h THR 94 N 0.69 1.19 -0.49 0.00 2.02 -1.81 0.14 112.91 114.65 3a6h h THR 94 Ca 0.16 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 3a6h h THR 94 Cb 0.19 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3a6h h THR 94 CO -0.01 0.17 0.06 0.25 0.37 0.00 0.00 175.52 176.36 3a6h h LEU 95 N -0.00 0.79 -0.28 2.58 5.85 -1.29 -1.46 115.31 121.49 3a6h h LEU 95 Ca 0.04 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3a6h h LEU 95 Cb 0.23 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3a6h h LEU 95 CO -0.00 0.86 0.16 0.74 -0.34 0.00 0.00 178.44 179.86 3a6h h THR 96 N 0.69 1.02 -0.21 1.05 2.02 -1.08 -1.95 112.91 114.45 3a6h h THR 96 Ca 0.15 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 3a6h h THR 96 Cb 0.42 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3a6h h THR 96 CO 0.01 0.06 -0.11 1.23 0.37 0.00 0.00 175.52 177.09 3a6h h GLY 97 N 0.33 0.36 0.84 2.16 0.00 -0.84 -0.73 103.07 105.18 3a6h h GLY 97 Ca 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3a6h h GLY 97 CO -0.06 0.21 0.03 -0.84 0.00 0.00 0.00 176.54 175.88 3a6h h THR 98 N 0.32 1.22 -0.43 4.70 2.02 -0.74 -0.01 112.91 119.98 3a6h h THR 98 Ca 0.06 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.49 3a6h h THR 98 Cb 0.39 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3a6h h THR 98 CO 0.02 0.23 0.19 0.58 0.37 0.00 0.00 175.52 176.91 3a6h h VAL 99 N 0.12 1.19 -0.30 3.16 2.07 -1.13 -2.38 116.25 118.98 3a6h h VAL 99 Ca 0.06 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.05 3a6h h VAL 99 Cb 0.31 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3a6h h VAL 99 CO 0.00 0.21 0.12 -0.61 0.02 0.00 0.00 177.57 177.31 3a6h h GLN 100 N 0.56 0.26 -0.53 1.57 4.15 -0.99 -2.34 115.11 117.79 3a6h h GLN 100 Ca 0.15 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3a6h h GLN 100 Cb 0.15 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3a6h h GLN 100 CO -0.02 0.17 0.34 -0.44 -1.93 0.00 0.00 178.83 176.95 3a6h h ASP 101 N 0.26 0.62 -0.68 -0.69 3.32 -0.85 -1.93 116.42 116.47 3a6h h ASP 101 Ca 0.13 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 3a6h h ASP 101 Cb 0.08 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 3a6h h ASP 101 CO -0.12 0.47 0.31 0.40 -1.72 0.00 0.00 179.24 178.58 3a6h h ILE 102 N 0.71 1.23 -0.57 0.35 2.04 -1.24 -1.56 117.51 118.46 3a6h h ILE 102 Ca 0.19 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 3a6h h ILE 102 Cb -0.05 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3a6h h ILE 102 CO -0.04 0.28 0.17 0.40 0.00 0.00 0.00 178.15 178.96 3a6h h ILE 103 N 0.95 1.24 -0.58 -0.67 2.04 -1.25 0.25 117.51 119.49 3a6h h ILE 103 Ca 0.23 -0.83 0.04 0.00 1.00 0.00 0.00 64.86 65.31 3a6h h ILE 103 Cb 0.15 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3a6h h ILE 103 CO -0.03 0.31 0.32 -0.09 0.00 0.00 0.00 178.15 178.66 3a6h h ARG 104 N 0.81 0.59 -0.36 2.37 2.43 -0.99 -0.85 114.38 118.38 3a6h h ARG 104 Ca 0.18 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 3a6h h ARG 104 Cb 0.30 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3a6h h ARG 104 CO -0.00 0.39 -0.18 0.93 -1.51 0.00 0.00 179.97 179.59 3a6h h GLU 105 N 0.61 0.77 -0.86 0.20 4.39 -0.94 -2.11 114.58 116.64 3a6h h GLU 105 Ca 0.25 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 3a6h h GLU 105 Cb 0.12 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 3a6h h GLU 105 CO -0.15 0.96 0.53 -0.07 -1.16 0.00 0.00 179.01 179.11 3a6h h LEU 106 N 0.56 1.02 -0.89 1.33 3.38 -0.66 -1.51 115.31 118.54 3a6h h LEU 106 Ca 0.08 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3a6h h LEU 106 Cb 0.73 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3a6h h LEU 106 CO 0.05 0.78 0.49 0.00 0.09 0.00 0.00 178.44 179.85 3a6h h ALA 107 N 1.29 1.13 -0.24 1.53 0.00 -1.05 -1.66 119.26 120.25 3a6h h ALA 107 Ca 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3a6h h ALA 107 Cb -0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3a6h h ALA 107 CO -0.06 0.64 0.06 -0.09 0.00 0.00 0.00 179.25 179.80 3a6h h ARG 108 N 1.24 0.34 0.00 0.00 2.43 -0.60 -0.84 114.38 116.95 3a6h h ARG 108 Ca 0.31 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3a6h h ARG 108 Cb 0.02 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3a6h h ARG 108 CO -0.05 0.32 -0.14 0.45 -1.51 0.00 0.00 179.97 179.04 3a6h h HIS 109 N 0.34 0.00 0.00 2.20 3.86 -0.52 -3.46 115.15 117.56 3a6h h HIS 109 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 3a6h h HIS 109 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3a6h h HIS 109 CO 0.00 0.14 0.00 0.41 0.86 0.00 0.00 177.93 179.35 3a6h n GLY 110 N 0.21 0.81 3.78 2.45 0.00 -0.32 -4.98 105.19 107.14 3a6h n GLY 110 Ca 0.01 0.00 -0.34 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 2.72 0.00 4.61 0.00 -0.70 -4.96 121.76 121.43 3a6h s ALA 111 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.63 3a6h s ALA 111 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3a6h s ALA 111 CO 0.00 -0.71 0.04 0.54 0.00 0.00 0.00 175.76 175.63 3a6h n ARG 112 N -1.44 0.00 -3.85 0.00 5.12 -1.26 -4.18 116.66 111.05 3a6h n ARG 112 Ca 0.10 -0.04 -0.27 0.00 -1.93 0.00 0.00 57.85 55.71 3a6h n ARG 112 Cb 0.52 -0.47 -0.17 0.00 -1.16 0.00 0.00 32.46 31.18 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 1.19 -0.04 5.56 0.52 -1.26 -0.54 118.95 124.38 3a6h s ARG 113 Ca 0.00 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 3a6h s ARG 113 Cb 0.00 -1.82 0.00 0.00 0.52 0.00 0.00 34.95 33.65 3a6h s ARG 113 CO 0.00 -0.43 -0.13 -1.17 0.02 0.00 0.00 175.30 173.59 3a6h s LEU 114 N 1.73 1.81 -0.21 2.53 2.96 -0.42 -1.79 118.68 125.29 3a6h s LEU 114 Ca 0.01 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 3a6h s LEU 114 Cb -0.15 -0.80 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 3a6h s LEU 114 CO -0.07 0.10 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.29 3a6h s VAL 115 N 0.24 3.15 -0.36 1.68 1.01 0.42 -0.75 120.40 125.80 3a6h s VAL 115 Ca -0.06 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3a6h s VAL 115 Cb -0.12 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.86 3a6h s VAL 115 CO 0.02 0.44 0.20 -0.76 0.00 0.00 0.00 175.10 175.00 3a6h s LEU 116 N 1.42 4.56 -0.37 3.92 1.43 -0.07 -0.45 118.68 129.12 3a6h s LEU 116 Ca 0.05 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.21 3a6h s LEU 116 Cb -0.14 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3a6h s LEU 116 CO -0.05 -0.33 0.24 -0.32 0.23 0.00 0.00 176.35 176.13 3a6h s MET 117 N 1.59 3.15 -0.00 1.70 1.75 -0.64 -2.13 119.30 124.72 3a6h s MET 117 Ca 0.03 -0.87 -0.20 0.00 -1.25 0.00 0.00 55.69 53.40 3a6h s MET 117 Cb -0.18 -3.81 -0.05 0.00 2.84 0.00 0.00 34.83 33.62 3a6h s MET 117 CO 0.07 -0.60 0.58 1.21 -0.65 0.00 0.00 175.02 175.63 3a6h s ASN 118 N 1.66 6.96 0.00 1.11 3.04 -0.77 -0.82 114.94 126.12 3a6h s ASN 118 Ca 0.05 1.14 0.00 0.00 0.04 0.00 0.00 52.86 54.09 3a6h s ASN 118 Cb -0.18 -2.36 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 3a6h s ASN 118 CO 0.09 0.12 0.70 0.61 -3.04 0.00 0.00 177.10 175.58 3a6h n GLY 119 N 2.41 0.59 2.75 1.21 0.00 -0.20 -4.28 105.19 107.67 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 -0.45 1.44 0.29 1.61 5.65 -1.25 -4.61 115.29 117.97 3a6h s HIS 120 Ca 0.00 -1.32 -0.01 0.00 0.25 0.00 0.00 55.06 53.98 3a6h s HIS 120 Cb 0.00 -1.37 0.67 0.00 -1.18 0.00 0.00 32.58 30.70 3a6h s HIS 120 CO 0.00 -0.75 1.59 -0.92 -0.65 0.00 0.00 174.74 174.02 3a6h h TYR 121 N 8.15 -0.02 0.00 3.88 3.20 -1.95 -1.09 116.97 129.14 3a6h h TYR 121 Ca -0.15 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3a6h h TYR 121 Cb 1.07 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3a6h h TYR 121 CO 0.34 -0.36 0.00 0.39 -1.64 0.00 0.00 178.16 176.89 3a6h n GLU 122 N -5.43 0.15 0.09 1.82 4.71 -1.26 -2.51 120.64 118.21 3a6h n GLU 122 Ca 0.21 0.55 -0.04 0.00 -0.01 0.00 0.00 57.16 57.86 3a6h n GLU 122 Cb 0.68 -1.91 0.01 0.00 -1.01 0.00 0.00 31.44 29.21 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 0.00 -0.04 1.62 2.35 -1.52 -3.41 115.58 114.58 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 0.14 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 3a6h h ASN 123 CO 0.00 0.83 -0.02 -1.20 -1.65 0.00 0.00 177.43 175.39 3a6h n SER 124 N -3.55 -0.04 0.22 5.81 7.64 -1.05 -0.88 113.62 121.77 3a6h n SER 124 Ca -0.01 0.27 0.08 0.00 1.01 0.00 0.00 58.87 60.23 3a6h n SER 124 Cb 0.79 -0.11 0.48 0.00 -1.01 0.00 0.00 64.21 64.36 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 -1.95 114.93 115.41 3a6h h MET 125 Ca 0.01 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 3a6h h MET 125 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3a6h h MET 125 CO -0.04 0.27 -0.37 0.74 1.06 0.00 0.00 176.91 178.56 3a6h h PHE 126 N 0.00 0.00 -0.09 -0.22 -1.00 -1.29 -2.04 116.94 112.30 3a6h h PHE 126 Ca -0.00 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.57 3a6h h PHE 126 Cb 0.68 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.25 3a6h h PHE 126 CO 0.00 0.37 -0.73 0.82 -1.61 0.00 0.00 178.31 177.16 3a6h h ILE 127 N 0.00 1.32 -0.67 -0.55 2.04 -0.92 -2.15 117.51 116.58 3a6h h ILE 127 Ca -0.00 -2.00 0.02 0.00 1.00 0.00 0.00 64.86 63.88 3a6h h ILE 127 Cb 1.26 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 39.49 3a6h h ILE 127 CO 0.05 0.62 0.42 0.58 0.00 0.00 0.00 178.15 179.82 3a6h h VAL 128 N 0.32 1.11 -0.56 1.67 2.07 -1.22 -1.28 116.25 118.36 3a6h h VAL 128 Ca -0.07 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 3a6h h VAL 128 Cb 1.38 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3a6h h VAL 128 CO 0.15 0.15 -0.09 -0.08 0.02 0.00 0.00 177.57 177.72 3a6h h GLU 129 N 0.84 1.05 -0.79 1.57 4.57 -1.36 -1.62 114.58 118.83 3a6h h GLU 129 Ca 0.26 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3a6h h GLU 129 Cb -0.01 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.47 3a6h h GLU 129 CO -0.09 1.07 0.52 0.78 -1.18 0.00 0.00 179.01 180.12 3a6h h GLY 130 N 0.94 1.12 0.88 1.92 0.00 -0.91 -1.01 103.07 106.02 3a6h h GLY 130 Ca 0.15 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3a6h h GLY 130 CO 0.05 0.40 0.08 -2.22 0.00 0.00 0.00 176.54 174.84 3a6h h ILE 131 N 1.06 1.19 -0.45 2.60 2.04 -1.01 -2.00 117.51 120.93 3a6h h ILE 131 Ca 0.30 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3a6h h ILE 131 Cb -0.10 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3a6h h ILE 131 CO -0.07 0.19 0.26 -0.78 0.00 0.00 0.00 178.15 177.75 3a6h h ASP 132 N 0.20 0.54 -0.37 1.72 1.82 -0.90 -0.57 116.42 118.87 3a6h h ASP 132 Ca 0.07 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 3a6h h ASP 132 Cb 0.22 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 3a6h h ASP 132 CO -0.00 0.46 0.02 -0.07 -1.61 0.00 0.00 179.24 178.04 3a6h h LEU 133 N 0.59 0.69 -0.27 2.28 3.38 -1.17 -0.16 115.31 120.65 3a6h h LEU 133 Ca 0.16 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3a6h h LEU 133 Cb 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3a6h h LEU 133 CO -0.03 0.74 -0.13 0.00 0.09 0.00 0.00 178.44 179.11 3a6h h ALA 134 N 1.34 0.38 -0.31 1.53 0.00 -1.01 -1.86 119.26 119.33 3a6h h ALA 134 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3a6h h ALA 134 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3a6h h ALA 134 CO 0.01 0.26 -0.26 -0.07 0.00 0.00 0.00 179.25 179.19 3a6h h LEU 135 N 0.30 0.62 -0.37 0.00 3.38 -0.95 0.13 115.31 118.42 3a6h h LEU 135 Ca 0.06 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3a6h h LEU 135 Cb 0.65 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3a6h h LEU 135 CO 0.04 0.86 0.21 -0.09 0.09 0.00 0.00 178.44 179.55 3a6h h ARG 136 N 0.53 0.41 -0.19 1.13 2.43 -0.93 0.23 114.38 117.99 3a6h h ARG 136 Ca 0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3a6h h ARG 136 Cb 0.73 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3a6h h ARG 136 CO 0.06 0.27 0.10 1.49 -1.51 0.00 0.00 179.97 180.38 3a6h h GLU 137 N 0.42 0.28 -0.79 0.20 4.81 -0.88 -2.38 114.58 116.24 3a6h h GLU 137 Ca 0.15 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3a6h h GLU 137 Cb 0.02 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3a6h h GLU 137 CO -0.08 0.30 0.52 -0.07 -0.73 0.00 0.00 179.01 178.95 3a6h h LEU 138 N 0.19 0.84 -0.68 1.64 3.38 -0.39 -1.20 115.31 119.09 3a6h h LEU 138 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3a6h h LEU 138 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3a6h h LEU 138 CO -0.01 0.58 0.41 -0.09 0.09 0.00 0.00 178.44 179.42 3a6h h ARG 139 N 0.98 0.93 0.00 1.13 2.43 -0.61 0.28 114.38 119.52 3a6h h ARG 139 Ca 0.31 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3a6h h ARG 139 Cb 0.03 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3a6h h ARG 139 CO -0.09 0.66 -0.11 1.88 -1.51 0.00 0.00 179.97 180.80 3a6h h TYR 140 N 0.93 0.00 -0.00 2.20 0.05 -0.74 -0.27 116.97 119.14 3a6h h TYR 140 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 3a6h h TYR 140 Cb -0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.72 3a6h h TYR 140 CO -0.01 0.11 -0.15 0.00 -1.05 0.00 0.00 178.16 177.06 3a6h n ALA 141 N -2.44 2.80 -0.33 3.88 0.00 -0.38 -4.91 120.51 119.12 3a6h n ALA 141 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3a6h n ALA 141 Cb 0.19 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 1.36 0.81 3.39 0.00 0.00 -0.11 -5.07 105.19 105.57 3a6h n GLY 142 Ca 0.11 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 3.96 0.00 -0.61 1.01 0.85 -4.92 121.20 119.49 3a6h s ILE 143 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.29 3a6h s ILE 143 Cb 0.00 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3a6h s ILE 143 CO 0.00 0.32 0.53 0.00 0.00 0.00 0.00 174.94 175.79 3a6h n GLN 144 N 4.88 0.60 -0.95 2.79 6.02 -1.26 -2.91 117.38 126.54 3a6h n GLN 144 Ca -0.16 -0.68 -0.05 0.00 -0.01 0.00 0.00 57.00 56.10 3a6h n GLN 144 Cb 0.51 -0.77 0.29 0.00 1.02 0.00 0.00 30.24 31.28 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 -0.14 4.48 -4.67 1.08 3.85 -1.26 -4.91 116.55 114.98 3a6h n ASP 145 Ca 0.00 -3.27 -0.37 0.00 -0.71 0.00 0.00 54.79 50.44 3a6h n ASP 145 Cb 0.25 -0.72 -0.09 0.00 -1.35 0.00 0.00 41.12 39.21 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 -3.02 3.34 -0.05 2.11 2.19 -1.26 -4.83 117.98 116.46 3a6h s PHE 146 Ca 0.53 0.35 0.06 0.00 0.33 0.00 0.00 56.93 58.20 3a6h s PHE 146 Cb 0.43 -2.34 -0.01 0.00 -1.31 0.00 0.00 43.02 39.80 3a6h s PHE 146 CO 0.12 0.07 -0.22 0.21 1.83 0.00 0.00 175.22 177.22 3a6h s LYS 147 N 1.06 2.31 -0.05 10.12 2.20 0.30 -5.02 119.74 130.66 3a6h s LYS 147 Ca 0.11 -0.81 0.06 0.00 -0.36 0.00 0.00 55.97 54.97 3a6h s LYS 147 Cb -0.14 -1.97 -0.01 0.00 -1.51 0.00 0.00 37.83 34.21 3a6h s LYS 147 CO 0.05 0.33 -0.24 0.08 -0.36 0.00 0.00 175.35 175.22 3a6h s VAL 148 N -0.09 1.95 -0.20 4.02 1.01 -1.26 -1.30 120.40 124.53 3a6h s VAL 148 Ca -0.04 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 3a6h s VAL 148 Cb -0.13 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.62 3a6h s VAL 148 CO 0.03 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 174.85 3a6h s VAL 149 N -0.25 2.57 -0.17 2.92 1.01 0.07 -5.00 120.40 121.56 3a6h s VAL 149 Ca -0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3a6h s VAL 149 Cb -0.12 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3a6h s VAL 149 CO 0.02 0.48 -0.03 -0.69 0.00 0.00 0.00 175.10 174.89 3a6h s VAL 150 N 1.36 3.90 0.06 2.92 1.01 -1.26 -0.90 120.40 127.49 3a6h s VAL 150 Ca 0.05 -0.35 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 3a6h s VAL 150 Cb -0.14 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3a6h s VAL 150 CO -0.09 0.47 0.40 -1.48 0.00 0.00 0.00 175.10 174.40 3a6h s LEU 151 N 0.58 0.43 -0.23 3.92 0.05 -0.91 -4.99 118.68 117.53 3a6h s LEU 151 Ca -0.02 -0.06 -0.03 0.00 0.05 0.00 0.00 54.13 54.07 3a6h s LEU 151 Cb -0.14 1.73 0.01 0.00 -2.05 0.00 0.00 46.19 45.73 3a6h s LEU 151 CO 0.02 -0.69 -0.06 -0.44 -0.55 0.00 0.00 176.35 174.64 3a6h s SER 152 N -2.13 4.23 0.55 1.48 0.01 -1.26 -1.84 113.70 114.74 3a6h s SER 152 Ca -0.04 -0.58 0.33 0.00 1.31 0.00 0.00 55.95 56.98 3a6h s SER 152 Cb -0.00 -1.70 1.49 0.00 0.21 0.00 0.00 66.02 66.01 3a6h s SER 152 CO -0.04 -0.06 1.82 0.10 0.41 0.00 0.00 173.24 175.47 3a6h h TYR 153 N 8.07 0.00 0.00 2.43 -0.00 -1.97 0.14 116.97 125.64 3a6h h TYR 153 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.33 3a6h h TYR 153 Cb 1.14 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.87 3a6h h TYR 153 CO 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 178.16 178.67 3a6h h ALA 154 N 1.41 1.08 0.00 0.10 0.00 -1.94 -2.71 119.26 117.19 3a6h h ALA 154 Ca 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3a6h h ALA 154 Cb 1.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.73 3a6h h ALA 154 CO -0.00 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 179.08 3a6h n ASP 155 N -3.28 0.00 -1.33 0.00 8.00 0.48 -3.15 116.55 117.27 3a6h n ASP 155 Ca -0.01 -0.97 0.10 0.00 0.71 0.00 0.00 54.79 54.62 3a6h n ASP 155 Cb 0.26 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.68 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 -0.99 1.10 -3.44 1.24 3.01 -1.02 -4.56 117.46 112.79 3a6h n PHE 156 Ca 0.22 -0.56 -0.27 0.00 1.01 0.00 0.00 57.45 57.85 3a6h n PHE 156 Cb 0.10 -0.11 -0.08 0.00 -0.01 0.00 0.00 39.48 39.38 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 1.21 2.39 -0.05 -4.37 0.31 -1.19 -4.57 118.33 112.07 3a6h n VAL 157 Ca 0.23 -5.22 -0.05 0.00 -0.01 0.00 0.00 64.34 59.29 3a6h n VAL 157 Cb 0.71 -2.11 -0.07 0.00 -0.91 0.00 0.00 33.84 31.47 3a6h n VAL 157 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3a6h n LYS 158 N 0.92 2.18 -1.64 5.55 4.81 -1.26 -4.87 118.16 123.85 3a6h n LYS 158 Ca 0.29 0.01 -0.60 0.00 -0.87 0.00 0.00 58.31 57.14 3a6h n LYS 158 Cb 0.41 -1.23 -0.08 0.00 0.02 0.00 0.00 35.03 34.15 3a6h n LYS 158 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3a6h n ASP 159 N -2.41 1.20 -0.14 3.14 -0.08 -1.26 -4.76 116.55 112.24 3a6h n ASP 159 Ca -0.15 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.45 3a6h n ASP 159 Cb 0.77 -1.01 0.57 0.00 2.34 0.00 0.00 41.12 43.80 3a6h n ASP 159 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3a6h h PRO 160 N 4.81 0.26 -0.41 -0.67 0.11 -1.99 -2.01 132.00 132.11 3a6h h PRO 160 Ca -0.47 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3a6h h PRO 160 Cb 1.37 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.38 3a6h h PRO 160 CO 0.84 0.18 0.20 0.00 -0.21 0.00 0.00 178.00 179.01 3a6h h ALA 161 N 1.65 0.51 -0.02 -0.75 0.00 -2.00 -0.47 119.26 118.18 3a6h h ALA 161 Ca 0.36 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 3a6h h ALA 161 Cb 1.02 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3a6h h ALA 161 CO -0.09 -0.16 -0.34 0.28 0.00 0.00 0.00 179.25 178.94 3a6h h VAL 162 N 0.41 1.48 -0.62 0.00 2.07 -1.75 -3.02 116.25 114.81 3a6h h VAL 162 Ca 0.18 -1.89 0.12 0.00 0.82 0.00 0.00 66.70 65.93 3a6h h VAL 162 Cb 0.09 2.58 -0.09 0.00 -1.52 0.00 0.00 31.29 32.35 3a6h h VAL 162 CO -0.13 0.53 0.14 0.40 0.02 0.00 0.00 177.57 178.54 3a6h h ILE 163 N -0.31 0.63 -0.52 4.57 1.08 -1.29 0.21 117.51 121.88 3a6h h ILE 163 Ca -0.04 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 3a6h h ILE 163 Cb 1.05 0.33 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 3a6h h ILE 163 CO 0.07 0.05 0.30 -0.61 -0.69 0.00 0.00 178.15 177.26 3a6h h GLN 164 N 0.27 0.57 -0.28 2.37 4.15 -1.15 0.48 115.11 121.52 3a6h h GLN 164 Ca 0.33 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.66 3a6h h GLN 164 Cb 0.50 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 3a6h h GLN 164 CO -0.42 0.38 -0.08 1.96 -1.93 0.00 0.00 178.83 178.74 3a6h h GLN 165 N 0.58 0.45 0.18 1.69 4.20 -0.88 -0.05 115.11 121.29 3a6h h GLN 165 Ca 0.22 -0.11 -0.24 0.00 0.06 0.00 0.00 58.65 58.57 3a6h h GLN 165 Cb 0.06 -0.06 0.03 0.00 0.30 0.00 0.00 27.48 27.81 3a6h h GLN 165 CO -0.12 0.54 -1.07 -0.07 -0.67 0.00 0.00 178.83 177.44 3a6h h LEU 166 N 0.42 0.61 -5.74 1.46 3.38 0.07 -3.39 115.31 112.12 3a6h h LEU 166 Ca 0.09 -0.94 -0.58 0.00 0.09 0.00 0.00 57.88 56.53 3a6h h LEU 166 Cb 0.41 -0.20 -0.42 0.00 0.09 0.00 0.00 40.66 40.55 3a6h h LEU 166 CO 0.02 1.52 -0.71 -1.22 0.09 0.00 0.00 178.44 178.14 3a6h n TYR 167 N -3.97 3.22 0.11 1.13 4.02 0.16 -4.87 117.16 116.96 3a6h n TYR 167 Ca -0.15 -4.01 0.04 0.00 -0.01 0.00 0.00 57.90 53.77 3a6h n TYR 167 Cb 0.93 -0.50 0.44 0.00 -0.02 0.00 0.00 39.34 40.19 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 3.49 0.29 0.00 -0.72 0.13 -1.20 0.78 132.00 134.77 3a6h h PRO 168 Ca 0.15 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3a6h h PRO 168 Cb 0.63 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3a6h h PRO 168 CO 0.77 0.31 0.00 -1.91 -0.23 0.00 0.00 178.00 176.94 3a6h n GLU 169 N -4.38 0.15 0.00 0.86 4.07 -1.26 -4.92 120.64 115.16 3a6h n GLU 169 Ca -0.00 0.15 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3a6h n GLU 169 Cb 0.17 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 3a6h n GLU 169 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a6h n GLY 170 N 0.31 3.88 3.82 8.31 0.00 0.27 -5.10 105.19 116.68 3a6h n GLY 170 Ca 0.07 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.33 3.65 -0.46 1.61 5.36 -1.24 -4.86 117.98 121.71 3a6h s PHE 171 Ca 0.00 0.84 0.05 0.00 -0.96 0.00 0.00 56.93 56.86 3a6h s PHE 171 Cb 0.00 -2.25 0.12 0.00 -0.34 0.00 0.00 43.02 40.56 3a6h s PHE 171 CO 0.00 0.58 1.04 1.28 -1.46 0.00 0.00 175.22 176.66 3a6h n LEU 172 N 2.21 2.26 0.00 6.12 4.77 -1.26 -5.11 117.00 125.99 3a6h n LEU 172 Ca -0.14 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 3a6h n LEU 172 Cb 0.53 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3a6h n LEU 172 CO 0.37 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3a6h n GLY 173 N 0.02 1.26 0.07 -0.72 0.00 -1.26 -4.80 105.19 99.75 3a6h n GLY 173 Ca 0.05 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 44.08 3a6h n GLY 173 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3a6h n TRP 174 N 0.91 0.47 0.00 1.61 7.02 -1.26 -4.23 117.44 121.96 3a6h n TRP 174 Ca 0.00 0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.62 3a6h n TRP 174 Cb 0.00 -0.78 0.00 0.00 -2.42 0.00 0.00 31.31 28.11 3a6h n TRP 174 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3a6h n ASP 175 N -2.53 0.00 0.00 -0.99 8.00 -1.26 -0.18 116.55 119.59 3a6h n ASP 175 Ca -0.06 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.78 3a6h n ASP 175 Cb 0.65 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3a6h n ASP 175 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3a6h n ILE 176 N -1.32 0.76 -1.77 0.53 -6.64 -1.26 -4.78 119.36 104.87 3a6h n ILE 176 Ca 0.00 -0.86 -0.40 0.00 -1.77 0.00 0.00 62.75 59.72 3a6h n ILE 176 Cb 0.07 0.63 -0.01 0.00 -1.44 0.00 0.00 39.64 38.89 3a6h n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3a6h n GLU 177 N -0.38 4.29 -4.01 6.28 -0.58 0.75 -3.45 120.64 123.55 3a6h n GLU 177 Ca 0.00 -3.05 -0.33 0.00 -0.42 0.00 0.00 57.16 53.36 3a6h n GLU 177 Cb 0.20 -2.69 -0.15 0.00 -0.57 0.00 0.00 31.44 28.23 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 -0.04 3.22 -0.94 -0.32 5.65 -1.26 -4.53 115.29 117.08 3a6h s HIS 178 Ca 0.59 -2.06 0.00 0.00 0.25 0.00 0.00 55.06 53.84 3a6h s HIS 178 Cb 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 32.58 29.58 3a6h s HIS 178 CO -0.08 -0.83 0.00 0.41 -0.65 0.00 0.00 174.74 173.58 3a6h n GLY 179 N 4.53 0.72 0.00 1.59 0.00 -1.26 -2.57 105.19 108.19 3a6h n GLY 179 Ca -0.14 -0.57 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 -1.54 2.30 0.24 -0.02 0.00 -1.26 -4.46 105.19 100.45 3a6h n GLY 180 Ca -0.10 -1.95 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 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 1.07 0.74 1.61 2.07 -1.81 -1.50 116.25 118.42 3a6h h VAL 181 Ca 0.00 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 3a6h h VAL 181 Cb 0.00 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3a6h h VAL 181 CO 0.00 0.14 -0.37 0.15 0.02 0.00 0.00 177.57 177.51 3a6h h PHE 182 N 0.74 -0.96 -0.30 1.57 3.04 -1.94 -1.93 116.94 117.16 3a6h h PHE 182 Ca 0.25 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 62.07 3a6h h PHE 182 Cb 0.03 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 3a6h h PHE 182 CO -0.05 -0.59 -0.24 0.93 -2.02 0.00 0.00 178.31 176.34 3a6h h GLU 183 N -1.01 0.69 -0.69 1.11 5.08 -1.88 -2.94 114.58 114.93 3a6h h GLU 183 Ca -0.10 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 3a6h h GLU 183 Cb 0.78 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 3a6h h GLU 183 CO 0.16 0.95 0.45 1.15 -1.00 0.00 0.00 179.01 180.71 3a6h h THR 184 N 0.44 1.18 -0.53 1.13 2.02 -1.33 -1.02 112.91 114.81 3a6h h THR 184 Ca 0.06 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 3a6h h THR 184 Cb 0.79 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 3a6h h THR 184 CO 0.06 0.18 -0.03 0.28 0.37 0.00 0.00 175.52 176.39 3a6h h SER 185 N 0.95 0.94 -0.44 4.18 0.02 -1.32 -0.15 113.55 117.72 3a6h h SER 185 Ca 0.25 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3a6h h SER 185 Cb -0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 3a6h h SER 185 CO -0.05 1.03 0.19 -0.07 -1.14 0.00 0.00 176.83 176.79 3a6h h LEU 186 N 0.82 0.59 -0.63 5.07 3.38 -1.24 -2.55 115.31 120.75 3a6h h LEU 186 Ca 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3a6h h LEU 186 Cb 0.57 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3a6h h LEU 186 CO 0.03 0.57 0.26 0.24 0.09 0.00 0.00 178.44 179.63 3a6h h MET 187 N 0.56 0.94 0.00 1.13 2.86 -1.02 -0.17 114.93 119.22 3a6h h MET 187 Ca 0.15 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3a6h h MET 187 Cb 0.15 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3a6h h MET 187 CO -0.02 0.79 -0.03 -0.07 1.06 0.00 0.00 176.91 178.64 3a6h h LEU 188 N 0.88 0.00 0.00 1.22 3.38 -0.82 1.17 115.31 121.14 3a6h h LEU 188 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3a6h h LEU 188 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3a6h h LEU 188 CO -0.02 0.03 -1.34 0.00 0.09 0.00 0.00 178.44 177.20 3a6h n ALA 189 N -2.32 2.71 -0.04 1.53 0.00 -0.81 -4.16 120.51 117.42 3a6h n ALA 189 Ca -0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 53.44 53.00 3a6h n ALA 189 Cb 0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3a6h n ALA 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3a6h n LEU 190 N -2.46 2.74 -3.18 0.00 4.77 -0.14 -4.88 117.00 113.85 3a6h n LEU 190 Ca -0.01 -0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 3a6h n LEU 190 Cb 0.54 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 3a6h n LEU 190 CO 0.42 0.60 -0.19 -1.22 -1.33 0.00 0.00 177.39 175.66 3a6h n TYR 191 N -2.82 0.61 -0.28 -1.77 4.01 0.40 -4.96 117.16 112.35 3a6h n TYR 191 Ca -0.15 -3.78 0.16 0.00 -0.16 0.00 0.00 57.90 53.96 3a6h n TYR 191 Cb 0.66 -0.41 0.42 0.00 -0.31 0.00 0.00 39.34 39.70 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 3.37 0.56 0.00 -0.72 0.13 -1.63 0.94 132.00 134.67 3a6h h PRO 192 Ca 0.10 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3a6h h PRO 192 Cb 0.88 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3a6h h PRO 192 CO 0.54 0.37 0.00 -0.44 -0.23 0.00 0.00 178.00 178.24 3a6h h ASP 193 N 0.58 0.00 -0.57 1.44 3.45 -1.93 -1.70 116.42 117.70 3a6h h ASP 193 Ca 0.50 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.96 3a6h h ASP 193 Cb 0.98 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 3a6h h ASP 193 CO -0.24 0.00 0.00 0.18 -1.57 0.00 0.00 179.24 177.61 3a6h n LEU 194 N -2.83 5.34 -3.86 1.55 4.77 0.32 -4.90 117.00 117.40 3a6h n LEU 194 Ca -0.01 -2.81 -0.12 0.00 -0.03 0.00 0.00 56.01 53.04 3a6h n LEU 194 Cb 0.16 -0.65 -0.14 0.00 -2.33 0.00 0.00 43.42 40.47 3a6h n LEU 194 CO 0.20 0.68 -0.33 -0.69 -1.33 0.00 0.00 177.39 175.93 3a6h s VAL 195 N -2.53 0.00 -0.38 4.08 1.01 -0.64 -2.77 120.40 119.18 3a6h s VAL 195 Ca 0.53 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3a6h s VAL 195 Cb 0.39 -0.06 0.15 0.00 0.00 0.00 0.00 36.38 36.86 3a6h s VAL 195 CO 0.18 -0.01 0.27 -0.62 0.00 0.00 0.00 175.10 174.91 3a6h s ASP 196 N -0.03 2.29 0.61 3.32 2.15 -0.40 -4.93 116.67 119.68 3a6h s ASP 196 Ca -0.00 -2.59 0.28 0.00 0.43 0.00 0.00 52.55 50.67 3a6h s ASP 196 Cb -0.01 -0.42 1.34 0.00 -0.30 0.00 0.00 42.92 43.54 3a6h s ASP 196 CO 0.00 -0.25 1.76 0.25 -0.17 0.00 0.00 175.17 176.76 3a6h h LEU 197 N 6.40 0.00 -0.04 -1.34 5.85 -1.96 0.12 115.31 124.34 3a6h h LEU 197 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3a6h h LEU 197 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3a6h h LEU 197 CO 0.31 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 178.88 3a6h n ASP 198 N -3.47 0.03 -0.00 1.25 8.00 -1.26 -1.56 116.55 119.53 3a6h n ASP 198 Ca 0.10 0.51 0.10 0.00 0.71 0.00 0.00 54.79 56.21 3a6h n ASP 198 Cb 0.81 -0.51 -0.13 0.00 -0.02 0.00 0.00 41.12 41.27 3a6h n ASP 198 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a6h n ARG 199 N -1.53 0.26 -1.62 -1.24 1.74 0.43 -4.97 116.66 109.73 3a6h n ARG 199 Ca 0.02 -0.07 -0.49 0.00 -0.77 0.00 0.00 57.85 56.54 3a6h n ARG 199 Cb 0.12 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.81 0.28 -3.43 1.55 0.31 -0.60 -4.49 118.33 110.14 3a6h n VAL 200 Ca 0.01 -0.07 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 3a6h n VAL 200 Cb 0.42 -1.10 -0.09 0.00 -0.91 0.00 0.00 33.84 32.16 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 0.41 5.24 -1.22 2.52 1.01 -1.26 -4.98 120.40 122.12 3a6h s VAL 201 Ca 0.79 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 3a6h s VAL 201 Cb -0.82 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 31.62 3a6h s VAL 201 CO 0.46 -0.37 1.73 -0.62 0.00 0.00 0.00 175.10 176.30 3a6h s ASP 202 N 1.86 6.42 0.25 3.32 3.68 -1.26 -4.49 116.67 126.45 3a6h s ASP 202 Ca 0.06 -2.09 0.08 0.00 2.13 0.00 0.00 52.55 52.72 3a6h s ASP 202 Cb -0.20 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 38.65 3a6h s ASP 202 CO 0.10 -1.60 0.10 -1.38 0.13 0.00 0.00 175.17 172.52 3a6h s HIS 203 N 5.69 2.92 0.54 -5.34 -3.43 -1.26 -5.00 115.29 109.42 3a6h s HIS 203 Ca 0.56 -0.15 -0.21 0.00 -0.80 0.00 0.00 55.06 54.45 3a6h s HIS 203 Cb 0.02 -1.32 -0.05 0.00 -1.43 0.00 0.00 32.58 29.80 3a6h s HIS 203 CO 0.06 0.56 1.28 -2.14 -2.00 0.00 0.00 174.74 172.50 3a6h s PRO 204 N -3.69 3.22 0.22 -0.38 0.02 -1.26 -3.79 135.00 129.33 3a6h s PRO 204 Ca 0.32 2.04 -0.32 0.00 0.02 0.00 0.00 61.00 63.06 3a6h s PRO 204 Cb -0.07 -2.20 -0.14 0.00 0.02 0.00 0.00 34.50 32.10 3a6h s PRO 204 CO 0.22 -1.07 1.30 -2.30 -0.33 0.00 0.00 177.00 174.83 3a6h n PRO 205 N -1.06 1.71 -2.12 5.54 -0.02 -1.26 -4.80 135.00 132.98 3a6h n PRO 205 Ca 0.11 0.61 -0.37 0.00 -2.02 0.00 0.00 63.50 61.83 3a6h n PRO 205 Cb 0.47 -2.20 0.01 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.17 2.81 -0.01 3.55 0.00 -0.28 -5.02 121.76 122.65 3a6h s ALA 206 Ca 0.69 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.64 3a6h s ALA 206 Cb -0.72 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 18.97 3a6h s ALA 206 CO 0.51 -0.91 0.04 0.95 0.00 0.00 0.00 175.76 176.35 3a6h s THR 207 N -1.54 0.04 0.08 0.00 -4.23 -1.26 -4.97 115.64 103.76 3a6h s THR 207 Ca 0.69 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 3a6h s THR 207 Cb -0.30 -0.18 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 3a6h s THR 207 CO 0.36 -0.19 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.83 3a6h s PHE 208 N -0.58 0.77 1.05 3.99 0.40 -1.26 -5.07 117.98 117.28 3a6h s PHE 208 Ca -0.06 -0.97 -0.13 0.00 -0.60 0.00 0.00 56.93 55.16 3a6h s PHE 208 Cb -0.04 -0.48 0.22 0.00 0.51 0.00 0.00 43.02 43.23 3a6h s PHE 208 CO -0.00 -0.23 1.09 -1.25 0.70 0.00 0.00 175.22 175.53 3a6h s PRO 209 N -3.87 -0.01 0.00 0.24 0.04 -1.26 -4.86 135.00 125.28 3a6h s PRO 209 Ca 0.11 0.43 -0.04 0.00 0.04 0.00 0.00 61.00 61.54 3a6h s PRO 209 Cb 0.06 -1.69 -0.17 0.00 0.04 0.00 0.00 34.50 32.74 3a6h s PRO 209 CO -0.06 -3.01 2.68 -0.35 0.04 0.00 0.00 177.00 176.30 3a6h n PRO 210 N -4.36 1.42 -3.64 0.56 -0.04 -1.26 -4.80 135.00 122.88 3a6h n PRO 210 Ca 0.06 -0.62 -0.02 0.00 -0.04 0.00 0.00 63.50 62.87 3a6h n PRO 210 Cb 0.57 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 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 1.20 -0.12 0.18 0.54 -0.85 -1.26 -5.18 117.35 111.86 3a6h s TYR 211 Ca 0.42 -0.04 0.09 0.00 -0.52 0.00 0.00 57.07 57.02 3a6h s TYR 211 Cb 0.20 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 43.07 3a6h s TYR 211 CO 0.00 -0.47 -0.13 -0.51 -1.52 0.00 0.00 175.55 172.93 3a6h s ASP 212 N -2.78 4.08 -0.02 -0.18 1.11 -1.26 -5.09 116.67 112.53 3a6h s ASP 212 Ca 0.12 -0.63 0.05 0.00 0.18 0.00 0.00 52.55 52.26 3a6h s ASP 212 Cb 0.01 -0.63 -0.01 0.00 1.07 0.00 0.00 42.92 43.37 3a6h s ASP 212 CO -0.03 0.11 -0.17 -0.69 1.18 0.00 0.00 175.17 175.58 3a6h s VAL 213 N -1.68 1.34 -0.02 -1.27 1.01 -1.26 -5.13 120.40 113.39 3a6h s VAL 213 Ca 0.24 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3a6h s VAL 213 Cb -0.09 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.17 3a6h s VAL 213 CO 0.14 0.38 -0.01 -0.36 0.00 0.00 0.00 175.10 175.25 3a6h s PHE 214 N -0.22 0.26 0.46 5.22 0.08 -1.26 -3.50 117.98 119.02 3a6h s PHE 214 Ca 0.03 -0.02 -0.25 0.00 0.12 0.00 0.00 56.93 56.81 3a6h s PHE 214 Cb -0.08 -0.27 -0.08 0.00 -0.57 0.00 0.00 43.02 42.01 3a6h s PHE 214 CO 0.00 -0.06 1.34 -2.30 -0.10 0.00 0.00 175.22 174.09 3a6h n PRO 215 N 3.57 1.98 -1.69 0.24 -0.02 -1.26 -5.08 135.00 132.75 3a6h n PRO 215 Ca -0.20 0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 61.55 3a6h n PRO 215 Cb 0.55 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 3a6h n PRO 215 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3a6h n VAL 216 N -0.39 1.15 -3.22 -1.45 3.14 -1.23 -4.94 118.33 111.40 3a6h n VAL 216 Ca 0.07 -0.29 -0.44 0.00 -2.96 0.00 0.00 64.34 60.72 3a6h n VAL 216 Cb 0.41 -1.56 -0.07 0.00 -1.06 0.00 0.00 33.84 31.56 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 0.21 6.21 0.33 6.55 3.68 -1.26 -4.96 116.67 127.44 3a6h s ASP 217 Ca 0.65 -0.95 0.12 0.00 2.13 0.00 0.00 52.55 54.50 3a6h s ASP 217 Cb -0.61 -2.26 0.95 0.00 -1.45 0.00 0.00 42.92 39.55 3a6h s ASP 217 CO 0.52 -0.80 1.72 -0.65 0.13 0.00 0.00 175.17 176.09 3a6h h PRO 218 N 8.91 0.50 0.00 4.34 0.11 -1.95 -0.35 132.00 143.55 3a6h h PRO 218 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3a6h h PRO 218 Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3a6h h PRO 218 CO 0.93 0.33 0.10 0.00 -0.21 0.00 0.00 178.00 179.15 3a6h h ALA 219 N 1.73 1.09 -0.09 -0.75 0.00 -2.00 -0.82 119.26 118.42 3a6h h ALA 219 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 3a6h h ALA 219 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3a6h h ALA 219 CO -0.47 -0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.23 3a6h n ARG 220 N -2.76 1.58 -5.14 0.00 1.74 -0.14 -4.80 116.66 107.14 3a6h n ARG 220 Ca -0.02 -0.87 -0.32 0.00 -0.77 0.00 0.00 57.85 55.87 3a6h n ARG 220 Cb 0.15 -1.42 -0.16 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 -1.89 2.26 0.15 0.55 2.01 -0.31 -4.92 115.64 113.49 3a6h s THR 221 Ca 0.35 -0.96 -0.34 0.00 0.31 0.00 0.00 61.69 61.05 3a6h s THR 221 Cb 0.18 -1.87 -0.15 0.00 0.01 0.00 0.00 72.50 70.67 3a6h s THR 221 CO 0.29 0.56 1.31 -2.65 -0.69 0.00 0.00 174.62 173.43 3a6h n PRO 222 N 3.40 1.42 -0.32 4.92 -0.02 -1.26 -4.82 135.00 138.31 3a6h n PRO 222 Ca -0.19 0.51 0.04 0.00 -2.02 0.00 0.00 63.50 61.84 3a6h n PRO 222 Cb 0.53 -2.11 0.11 0.00 -0.02 0.00 0.00 33.50 32.00 3a6h n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a6h n ALA 223 N 2.12 0.15 0.33 3.55 0.00 -1.26 0.31 120.51 125.70 3a6h n ALA 223 Ca 0.16 0.95 0.21 0.00 0.00 0.00 0.00 53.44 54.76 3a6h n ALA 223 Cb 0.24 -0.54 1.13 0.00 0.00 0.00 0.00 19.45 20.28 3a6h n ALA 223 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3a6h h PRO 224 N 0.00 0.00 0.00 0.00 0.11 -1.98 -3.45 132.00 126.67 3a6h h PRO 224 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3a6h h PRO 224 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 3a6h h PRO 224 CO -0.90 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.30 3a6h n GLY 225 N -1.09 0.35 3.88 -0.55 0.00 0.15 -3.88 105.19 104.04 3a6h n GLY 225 Ca -0.03 0.00 -0.30 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 -2.11 4.89 -1.43 2.61 -4.23 -1.26 -4.62 115.64 109.50 3a6h s THR 226 Ca 0.00 0.41 0.19 0.00 -1.18 0.00 0.00 61.69 61.11 3a6h s THR 226 Cb 0.00 -3.71 -0.07 0.00 1.34 0.00 0.00 72.50 70.06 3a6h s THR 226 CO 0.00 -0.36 0.89 0.18 -0.54 0.00 0.00 174.62 174.79 3a6h n LEU 227 N -0.94 1.48 -3.64 4.79 4.77 -1.06 -4.27 117.00 118.13 3a6h n LEU 227 Ca 0.01 -0.67 -0.08 0.00 -0.03 0.00 0.00 56.01 55.24 3a6h n LEU 227 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3a6h n LEU 227 CO 0.47 0.30 0.76 -0.94 -1.33 0.00 0.00 177.39 176.64 3a6h s SER 228 N -2.35 -0.44 0.47 -1.43 1.04 -1.22 -1.13 113.70 108.64 3a6h s SER 228 Ca 0.13 0.81 -0.24 0.00 0.48 0.00 0.00 55.95 57.14 3a6h s SER 228 Cb 0.15 0.88 -0.09 0.00 0.10 0.00 0.00 66.02 67.06 3a6h s SER 228 CO 0.57 -0.14 1.16 -0.24 0.98 0.00 0.00 173.24 175.58 3a6h n SER 229 N 2.41 1.94 -0.65 7.02 2.88 -1.25 -3.98 113.62 121.99 3a6h n SER 229 Ca -0.13 1.02 0.08 0.00 -1.33 0.00 0.00 58.87 58.51 3a6h n SER 229 Cb 0.56 -1.45 0.21 0.00 -0.75 0.00 0.00 64.21 62.78 3a6h n SER 229 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a6h n ALA 230 N -0.63 2.71 -0.29 -1.46 0.00 -1.26 -3.87 120.51 115.71 3a6h n ALA 230 Ca 0.09 -2.20 0.10 0.00 0.00 0.00 0.00 53.44 51.43 3a6h n ALA 230 Cb 0.41 -0.58 0.34 0.00 0.00 0.00 0.00 19.45 19.62 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 1.36 0.76 -0.44 0.00 3.64 -1.92 -0.43 116.57 119.54 3a6h h LYS 231 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3a6h h LYS 231 Cb 1.23 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3a6h h LYS 231 CO 0.14 0.51 0.00 0.25 -2.27 0.00 0.00 179.45 178.08 3a6h n THR 232 N -4.57 0.56 -2.42 1.00 -2.24 -1.26 -4.90 114.28 100.44 3a6h n THR 232 Ca 0.17 -0.41 -0.33 0.00 -2.27 0.00 0.00 64.05 61.21 3a6h n THR 232 Cb 0.41 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.64 2.86 0.07 6.98 0.00 -0.17 -5.03 121.76 124.83 3a6h s ALA 233 Ca 0.19 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.40 3a6h s ALA 233 Cb 0.11 -3.23 0.07 0.00 0.00 0.00 0.00 23.12 20.07 3a6h s ALA 233 CO 0.10 -0.41 0.61 -1.54 0.00 0.00 0.00 175.76 174.53 3a6h s SER 234 N -2.28 -0.57 0.28 0.00 1.04 -1.26 -4.94 113.70 105.97 3a6h s SER 234 Ca 0.65 0.26 -0.03 0.00 0.48 0.00 0.00 55.95 57.31 3a6h s SER 234 Cb -0.15 0.56 0.38 0.00 0.10 0.00 0.00 66.02 66.91 3a6h s SER 234 CO 0.25 -0.81 1.94 -0.09 0.98 0.00 0.00 173.24 175.51 3a6h h ARG 235 N 2.46 1.17 -0.40 4.02 2.43 -1.85 -0.90 114.38 121.31 3a6h h ARG 235 Ca -0.31 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 58.81 3a6h h ARG 235 Cb 1.24 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 3a6h h ARG 235 CO 0.39 0.78 0.21 0.93 -1.51 0.00 0.00 179.97 180.77 3a6h h GLU 236 N 1.21 0.42 -0.48 0.20 3.07 -1.95 0.56 114.58 117.60 3a6h h GLU 236 Ca 0.35 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.16 3a6h h GLU 236 Cb -0.07 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 3a6h h GLU 236 CO -0.09 0.28 0.20 0.87 -1.40 0.00 0.00 179.01 178.86 3a6h h LYS 237 N 0.43 0.71 -0.38 2.33 1.57 -1.72 -2.39 116.57 117.12 3a6h h LYS 237 Ca 0.16 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3a6h h LYS 237 Cb 0.05 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3a6h h LYS 237 CO -0.10 0.64 0.17 0.78 -0.57 0.00 0.00 179.45 180.37 3a6h h GLY 238 N 0.63 0.51 1.53 3.86 0.00 -0.59 -1.30 103.07 107.71 3a6h h GLY 238 Ca 0.16 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3a6h h GLY 238 CO -0.01 0.08 0.25 0.83 0.00 0.00 0.00 176.54 177.68 3a6h h GLU 239 N 0.36 0.37 0.20 4.80 5.08 -0.71 0.55 114.58 125.23 3a6h h GLU 239 Ca 0.17 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3a6h h GLU 239 Cb 0.10 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3a6h h GLU 239 CO -0.13 0.24 -0.10 1.25 -1.00 0.00 0.00 179.01 179.28 3a6h h LEU 240 N 0.38 -0.23 -0.02 1.33 5.85 -0.79 -2.51 115.31 119.32 3a6h h LEU 240 Ca 0.15 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.62 3a6h h LEU 240 Cb 0.13 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3a6h h LEU 240 CO -0.03 0.21 -0.28 0.40 -0.34 0.00 0.00 178.44 178.40 3a6h h ILE 241 N -0.73 0.37 -0.37 4.05 2.04 -0.80 -0.93 117.51 121.15 3a6h h ILE 241 Ca -0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.90 3a6h h ILE 241 Cb 0.50 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 3a6h h ILE 241 CO 0.04 0.00 -0.39 0.25 0.00 0.00 0.00 178.15 178.05 3a6h h LEU 242 N -0.42 -1.29 -0.65 1.44 5.85 -0.96 0.21 115.31 119.49 3a6h h LEU 242 Ca 0.07 0.20 0.05 0.00 0.84 0.00 0.00 57.88 59.04 3a6h h LEU 242 Cb 0.51 0.57 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3a6h h LEU 242 CO -0.25 -0.36 0.36 -0.08 -0.34 0.00 0.00 178.44 177.77 3a6h h GLU 243 N -0.32 0.66 0.35 1.25 4.22 -1.16 0.51 114.58 120.10 3a6h h GLU 243 Ca 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 3a6h h GLU 243 Cb 0.57 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3a6h h GLU 243 CO -0.54 0.44 -0.17 0.28 -2.18 0.00 0.00 179.01 176.84 3a6h h VAL 244 N 0.68 0.67 -0.18 0.32 2.07 -0.06 -1.99 116.25 117.76 3a6h h VAL 244 Ca 0.28 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.66 3a6h h VAL 244 Cb 0.15 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3a6h h VAL 244 CO -0.17 0.03 0.06 0.00 0.02 0.00 0.00 177.57 177.52 3a6h h VAL 246 N 0.15 1.03 -0.08 0.00 2.07 -0.91 0.34 116.25 118.85 3a6h h VAL 246 Ca 0.08 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3a6h h VAL 246 Cb 0.05 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3a6h h VAL 246 CO -0.08 0.14 -0.02 -0.61 0.02 0.00 0.00 177.57 177.01 3a6h h GLN 247 N 0.77 0.15 -0.52 1.57 5.75 -1.08 -2.02 115.11 119.73 3a6h h GLN 247 Ca 0.29 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.71 3a6h h GLN 247 Cb 0.11 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.63 3a6h h GLN 247 CO -0.15 0.49 0.25 0.78 -2.65 0.00 0.00 178.83 177.56 3a6h h GLY 248 N -0.19 0.80 0.96 2.39 0.00 -0.80 -2.36 103.07 103.87 3a6h h GLY 248 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3a6h h GLY 248 CO 0.01 0.38 0.06 -2.22 0.00 0.00 0.00 176.54 174.76 3a6h h ILE 249 N 0.70 1.25 -0.79 2.60 2.04 -0.98 -1.48 117.51 120.85 3a6h h ILE 249 Ca 0.18 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.16 3a6h h ILE 249 Cb 0.11 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3a6h h ILE 249 CO -0.02 0.32 0.52 0.00 0.00 0.00 0.00 178.15 178.97 3a6h h ALA 250 N 0.94 1.55 -0.18 1.87 0.00 -1.23 -0.24 119.26 121.98 3a6h h ALA 250 Ca 0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3a6h h ALA 250 Cb 0.40 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3a6h h ALA 250 CO 0.01 0.35 -0.74 -0.44 0.00 0.00 0.00 179.25 178.44 3a6h h ASP 251 N 0.94 0.94 -0.85 0.00 3.32 -1.18 -1.84 116.42 117.74 3a6h h ASP 251 Ca 0.32 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3a6h h ASP 251 Cb 0.10 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3a6h h ASP 251 CO -0.10 1.39 0.53 0.00 -1.72 0.00 0.00 179.24 179.34 3a6h h ALA 252 N 0.60 1.08 -0.51 3.45 0.00 -0.54 -0.34 119.26 123.00 3a6h h ALA 252 Ca -0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3a6h h ALA 252 Cb 1.36 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3a6h h ALA 252 CO 0.15 0.52 -0.16 0.82 0.00 0.00 0.00 179.25 180.58 3a6h h ILE 253 N 1.16 1.27 -0.81 0.00 2.04 -1.01 -1.46 117.51 118.69 3a6h h ILE 253 Ca 0.31 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 3a6h h ILE 253 Cb -0.08 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3a6h h ILE 253 CO -0.06 0.46 0.46 0.03 0.00 0.00 0.00 178.15 179.04 3a6h h ARG 254 N 0.86 1.11 -0.35 2.37 3.08 -0.82 0.11 114.38 120.74 3a6h h ARG 254 Ca 0.12 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3a6h h ARG 254 Cb 0.73 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3a6h h ARG 254 CO 0.06 0.80 0.04 1.49 -1.07 0.00 0.00 179.97 181.28 3a6h h GLU 255 N 1.12 0.59 0.12 0.04 4.57 -0.67 -3.07 114.58 117.27 3a6h h GLU 255 Ca 0.29 -0.17 -0.29 0.00 -1.18 0.00 0.00 59.36 58.01 3a6h h GLU 255 Cb -0.01 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3a6h h GLU 255 CO -0.05 0.68 -1.38 0.93 -1.18 0.00 0.00 179.01 178.01 3a6h h GLU 256 N 0.42 0.24 -2.29 1.92 4.39 -1.03 -3.38 114.58 114.85 3a6h h GLU 256 Ca 0.10 -0.42 -0.63 0.00 0.34 0.00 0.00 59.36 58.76 3a6h h GLU 256 Cb 0.39 0.15 -0.40 0.00 -0.10 0.00 0.00 28.75 28.80 3a6h h GLU 256 CO 0.01 1.14 -0.39 1.19 -1.16 0.00 0.00 179.01 179.80 3a6h n PHE 257 N -3.47 3.49 -2.08 4.33 3.72 0.34 -5.09 117.46 118.70 3a6h n PHE 257 Ca -0.12 -3.92 -0.37 0.00 -0.05 0.00 0.00 57.45 52.99 3a6h n PHE 257 Cb 1.03 -0.65 0.02 0.00 -0.94 0.00 0.00 39.48 38.93 3a6h n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3a6h s PRO 258 N -2.62 3.35 0.00 -1.08 0.02 -1.16 -4.71 135.00 128.81 3a6h s PRO 258 Ca 0.39 1.88 0.01 0.00 0.02 0.00 0.00 61.00 63.30 3a6h s PRO 258 Cb 0.15 -2.19 0.05 0.00 0.02 0.00 0.00 34.50 32.52 3a6h s PRO 258 CO -0.00 -0.91 0.55 -2.30 -0.33 0.00 0.00 177.00 174.00