#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqm s PRO 2 N 0.00 4.13 0.00 1.09 0.04 -1.26 -4.33 135.00 134.66 1aqm s PRO 2 Ca 0.00 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1aqm s PRO 2 Cb 0.00 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1aqm s PRO 2 CO 0.00 -0.75 0.00 0.25 0.04 0.00 0.00 177.00 176.54 1aqm n THR 3 N 3.99 0.00 -4.26 1.26 -2.24 -1.26 -4.98 114.28 106.79 1aqm n THR 3 Ca 0.16 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.77 1aqm n THR 3 Cb 0.35 0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 68.97 1aqm n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1aqm s THR 4 N 0.00 0.65 0.50 4.28 2.01 -1.26 -4.33 115.64 117.48 1aqm s THR 4 Ca 0.00 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.53 1aqm s THR 4 Cb 0.00 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.93 1aqm s THR 4 CO 0.00 0.07 0.14 0.72 -0.69 0.00 0.00 174.62 174.86 1aqm s PHE 5 N -0.43 1.96 -0.01 4.92 -0.71 -0.84 -0.25 117.98 122.62 1aqm s PHE 5 Ca 0.01 -0.85 -0.03 0.00 -1.04 0.00 0.00 56.93 55.02 1aqm s PHE 5 Cb -0.04 -1.76 0.00 0.00 -1.21 0.00 0.00 43.02 40.01 1aqm s PHE 5 CO -0.00 0.05 0.07 0.54 -1.34 0.00 0.00 175.22 174.54 1aqm s VAL 6 N -2.80 0.05 -0.47 -2.49 0.11 -0.74 -0.84 120.40 113.22 1aqm s VAL 6 Ca 0.21 -0.37 -0.16 0.00 -2.93 0.00 0.00 61.98 58.73 1aqm s VAL 6 Cb 0.02 -0.23 0.07 0.00 -1.53 0.00 0.00 36.38 34.70 1aqm s VAL 6 CO 0.12 -0.20 0.41 -2.28 -3.33 0.00 0.00 175.10 169.82 1aqm s HIS 7 N -0.64 3.22 -1.26 1.54 2.46 -0.30 -0.48 115.29 119.84 1aqm s HIS 7 Ca -0.07 -0.85 -0.11 0.00 0.47 0.00 0.00 55.06 54.50 1aqm s HIS 7 Cb -0.04 -3.16 0.17 0.00 -0.13 0.00 0.00 32.58 29.42 1aqm s HIS 7 CO 0.00 -0.80 1.72 1.28 -2.47 0.00 0.00 174.74 174.47 1aqm n LEU 8 N 5.31 6.13 -4.66 8.88 4.77 -1.01 -2.33 117.00 134.09 1aqm n LEU 8 Ca -0.12 -4.58 -0.46 0.00 -0.03 0.00 0.00 56.01 50.82 1aqm n LEU 8 Cb 0.44 -1.53 -0.04 0.00 -2.33 0.00 0.00 43.42 39.96 1aqm n LEU 8 CO 0.47 1.14 1.56 0.33 -1.33 0.00 0.00 177.39 179.57 1aqm n PHE 9 N 4.51 2.34 -1.19 -1.77 7.35 -1.20 -2.28 117.46 125.22 1aqm n PHE 9 Ca 0.39 -0.11 -0.06 0.00 -0.76 0.00 0.00 57.45 56.90 1aqm n PHE 9 Cb 0.39 -2.71 -0.03 0.00 0.35 0.00 0.00 39.48 37.48 1aqm n PHE 9 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1aqm n GLU 10 N 7.10 -1.40 -2.69 -4.13 -0.58 -1.26 -4.86 120.64 112.83 1aqm n GLU 10 Ca 0.23 0.66 -0.41 0.00 -0.42 0.00 0.00 57.16 57.22 1aqm n GLU 10 Cb 0.33 -4.84 -0.04 0.00 -0.57 0.00 0.00 31.44 26.32 1aqm n GLU 10 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1aqm s TRP 11 N -1.77 3.73 0.81 -0.32 0.52 -0.96 -4.94 118.94 116.00 1aqm s TRP 11 Ca 0.00 1.73 -0.11 0.00 0.02 0.00 0.00 56.10 57.73 1aqm s TRP 11 Cb 0.00 -3.11 0.07 0.00 -1.15 0.00 0.00 33.47 29.28 1aqm s TRP 11 CO 0.00 -0.00 1.09 0.54 0.02 0.00 0.00 176.95 178.60 1aqm s ASN 12 N 0.38 4.38 0.39 2.95 2.20 -1.26 -4.79 114.94 119.19 1aqm s ASN 12 Ca 0.49 1.40 0.06 0.00 -0.94 0.00 0.00 52.86 53.87 1aqm s ASN 12 Cb -0.23 -2.13 0.81 0.00 -2.00 0.00 0.00 41.25 37.70 1aqm s ASN 12 CO 0.30 -2.05 2.04 -0.50 -2.94 0.00 0.00 177.10 173.94 1aqm h TRP 13 N -1.14 0.60 -0.22 1.54 -0.00 -1.68 -1.67 115.95 113.37 1aqm h TRP 13 Ca -0.47 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.41 1aqm h TRP 13 Cb 1.26 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 30.21 1aqm h TRP 13 CO 0.48 0.36 0.03 1.96 -0.00 0.00 0.00 178.44 181.27 1aqm h GLN 14 N 0.63 0.37 -0.71 0.49 1.08 -1.87 -1.60 115.11 113.50 1aqm h GLN 14 Ca 0.19 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1aqm h GLN 14 Cb -0.00 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1aqm h GLN 14 CO -0.05 0.52 0.18 -0.44 -0.95 0.00 0.00 178.83 178.10 1aqm h ASP 15 N 0.16 1.06 -0.18 1.46 3.32 -1.84 -2.41 116.42 117.99 1aqm h ASP 15 Ca 0.07 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1aqm h ASP 15 Cb 0.33 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1aqm h ASP 15 CO 0.01 1.01 0.04 0.58 -1.72 0.00 0.00 179.24 179.15 1aqm h VAL 16 N 1.07 1.21 -0.28 -1.35 2.07 -1.19 -1.26 116.25 116.52 1aqm h VAL 16 Ca 0.22 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1aqm h VAL 16 Cb 0.35 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1aqm h VAL 16 CO -0.00 0.21 0.01 0.00 0.02 0.00 0.00 177.57 177.81 1aqm h ALA 17 N 0.84 0.26 -0.79 1.67 0.00 -1.20 0.17 119.26 120.21 1aqm h ALA 17 Ca 0.06 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1aqm h ALA 17 Cb 0.29 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1aqm h ALA 17 CO 0.00 -0.41 0.34 1.96 0.00 0.00 0.00 179.25 181.14 1aqm h GLN 18 N 0.09 1.17 -0.53 0.00 4.20 -1.39 -2.62 115.11 116.03 1aqm h GLN 18 Ca 0.14 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1aqm h GLN 18 Cb 0.17 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1aqm h GLN 18 CO -0.22 0.93 0.12 1.49 -0.67 0.00 0.00 178.83 180.48 1aqm h GLU 19 N 1.14 0.81 -0.34 1.46 4.57 -0.69 -0.60 114.58 120.93 1aqm h GLU 19 Ca 0.27 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1aqm h GLU 19 Cb 0.19 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1aqm h GLU 19 CO -0.03 0.74 0.18 0.00 -1.18 0.00 0.00 179.01 178.72 1aqm h GLU 21 N 0.43 0.11 0.00 0.00 5.08 -1.20 -0.74 114.58 118.26 1aqm h GLU 21 Ca 0.12 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.27 1aqm h GLU 21 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1aqm h GLU 21 CO -0.02 0.58 -0.70 1.96 -1.00 0.00 0.00 179.01 179.83 1aqm h GLN 22 N -0.35 0.00 0.00 2.33 4.20 -1.17 -3.42 115.11 116.70 1aqm h GLN 22 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1aqm h GLN 22 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1aqm h GLN 22 CO 0.01 0.70 -0.06 0.98 -0.67 0.00 0.00 178.83 179.79 1aqm n TYR 23 N -3.34 -1.41 -0.17 2.96 9.36 -0.39 -4.80 117.16 119.38 1aqm n TYR 23 Ca 0.01 0.25 -0.03 0.00 3.32 0.00 0.00 57.90 61.45 1aqm n TYR 23 Cb 0.79 0.47 0.07 0.00 -0.63 0.00 0.00 39.34 40.04 1aqm n TYR 23 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1aqm h LEU 24 N 0.00 0.17 0.66 2.98 3.38 -1.30 0.46 115.31 121.66 1aqm h LEU 24 Ca 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1aqm h LEU 24 Cb 0.06 0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.87 1aqm h LEU 24 CO 0.00 0.12 -0.32 1.23 0.09 0.00 0.00 178.44 179.56 1aqm h GLY 25 N 0.35 -0.93 0.84 0.83 0.00 -1.35 -0.97 103.07 101.83 1aqm h GLY 25 Ca 0.25 0.34 0.10 0.00 0.00 0.00 0.00 47.33 48.02 1aqm h GLY 25 CO -0.26 -0.34 0.51 -2.55 0.00 0.00 0.00 176.54 173.90 1aqm h PRO 26 N -1.10 0.68 -0.00 4.80 0.11 -1.76 -1.93 132.00 132.79 1aqm h PRO 26 Ca -0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1aqm h PRO 26 Cb 0.72 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1aqm h PRO 26 CO 0.15 0.45 -0.10 1.63 -0.21 0.00 0.00 178.00 179.91 1aqm n LYS 27 N -4.50 0.03 -0.49 1.05 4.76 0.14 -4.97 118.16 114.19 1aqm n LYS 27 Ca 0.13 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1aqm n LYS 27 Cb 0.34 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1aqm n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aqm n GLY 28 N 1.49 0.72 3.76 0.72 0.00 -0.73 -4.74 105.19 106.41 1aqm n GLY 28 Ca 0.07 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1aqm n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aqm s TYR 29 N -2.00 3.24 0.12 1.61 1.51 -0.45 -4.59 117.35 116.80 1aqm s TYR 29 Ca 0.00 1.49 -0.06 0.00 -1.01 0.00 0.00 57.07 57.49 1aqm s TYR 29 Cb 0.00 -3.54 -0.11 0.00 -0.11 0.00 0.00 41.96 38.20 1aqm s TYR 29 CO 0.00 -1.43 1.30 0.00 -1.11 0.00 0.00 175.55 174.30 1aqm h ALA 30 N 3.74 0.34 -2.65 3.71 0.00 -0.95 -3.44 119.26 120.02 1aqm h ALA 30 Ca -0.48 -0.69 0.12 0.00 0.00 0.00 0.00 54.91 53.86 1aqm h ALA 30 Cb 1.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1aqm h ALA 30 CO 0.67 0.78 0.39 0.00 0.00 0.00 0.00 179.25 181.10 1aqm s ALA 31 N -3.34 -1.40 -0.08 0.00 0.00 -1.25 -1.88 121.76 113.81 1aqm s ALA 31 Ca -0.07 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1aqm s ALA 31 Cb 0.09 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1aqm s ALA 31 CO 0.88 -1.04 -0.13 0.08 0.00 0.00 0.00 175.76 175.54 1aqm s VAL 32 N -3.21 1.26 -0.30 0.00 1.01 -0.11 -1.79 120.40 117.25 1aqm s VAL 32 Ca 0.13 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.39 1aqm s VAL 32 Cb -0.03 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1aqm s VAL 32 CO 0.05 0.39 0.57 -1.58 0.00 0.00 0.00 175.10 174.53 1aqm s GLN 33 N 0.74 3.92 0.33 2.72 0.74 0.37 -0.79 119.66 127.70 1aqm s GLN 33 Ca -0.13 0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.56 1aqm s GLN 33 Cb -0.16 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 1aqm s GLN 33 CO 0.03 -0.50 0.49 0.14 -0.55 0.00 0.00 175.29 174.90 1aqm s VAL 34 N 2.46 4.58 0.68 1.34 -7.23 -0.80 -2.40 120.40 119.02 1aqm s VAL 34 Ca 0.23 -0.81 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 1aqm s VAL 34 Cb -0.15 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1aqm s VAL 34 CO 0.11 -0.31 1.08 -0.44 -0.31 0.00 0.00 175.10 175.23 1aqm s SER 35 N -4.10 5.21 -0.36 4.85 0.01 -1.26 -3.60 113.70 114.44 1aqm s SER 35 Ca 0.42 1.82 -0.42 0.00 1.31 0.00 0.00 55.95 59.08 1aqm s SER 35 Cb -0.09 -2.53 -0.16 0.00 0.21 0.00 0.00 66.02 63.45 1aqm s SER 35 CO 0.33 -1.56 1.81 -2.65 0.41 0.00 0.00 173.24 171.58 1aqm n PRO 36 N -2.75 0.76 0.00 12.44 -0.02 -1.26 -4.69 135.00 139.48 1aqm n PRO 36 Ca 0.09 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.98 1aqm n PRO 36 Cb 0.53 -1.95 0.60 0.00 -0.02 0.00 0.00 33.50 32.66 1aqm n PRO 36 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1aqm n PRO 37 N 5.67 1.18 -2.31 0.52 -0.04 -1.26 -4.85 135.00 133.91 1aqm n PRO 37 Ca 0.33 -0.54 -0.27 0.00 -0.04 0.00 0.00 63.50 62.98 1aqm n PRO 37 Cb 0.08 -1.49 0.04 0.00 -0.04 0.00 0.00 33.50 32.09 1aqm n PRO 37 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1aqm s ASN 38 N -2.19 5.36 0.22 3.54 4.22 -1.26 -3.38 114.94 121.45 1aqm s ASN 38 Ca 0.36 0.66 -0.32 0.00 -2.14 0.00 0.00 52.86 51.42 1aqm s ASN 38 Cb 0.21 -1.54 -0.12 0.00 1.28 0.00 0.00 41.25 41.08 1aqm s ASN 38 CO 0.40 -1.23 1.68 -0.70 -2.04 0.00 0.00 177.10 175.21 1aqm s GLU 39 N -5.08 4.14 0.33 3.55 2.12 0.04 -4.53 118.70 119.27 1aqm s GLU 39 Ca 0.56 2.56 0.04 0.00 0.36 0.00 0.00 54.97 58.49 1aqm s GLU 39 Cb -0.11 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.17 1aqm s GLU 39 CO 0.45 -0.71 0.17 -3.38 -0.54 0.00 0.00 175.26 171.25 1aqm s HIS 40 N 0.97 1.67 0.67 5.30 -3.43 -1.26 -1.17 115.29 118.04 1aqm s HIS 40 Ca 0.72 -1.38 -0.16 0.00 -0.80 0.00 0.00 55.06 53.44 1aqm s HIS 40 Cb -0.48 -0.91 0.01 0.00 -1.43 0.00 0.00 32.58 29.76 1aqm s HIS 40 CO 0.35 -0.51 1.16 0.96 -2.00 0.00 0.00 174.74 174.70 1aqm s ILE 41 N -3.49 2.81 0.67 -5.38 -4.36 -0.96 -1.13 121.20 109.36 1aqm s ILE 41 Ca 0.34 0.41 -0.12 0.00 -0.26 0.00 0.00 60.65 61.02 1aqm s ILE 41 Cb 0.04 -2.97 -0.00 0.00 1.25 0.00 0.00 42.46 40.77 1aqm s ILE 41 CO 0.18 -0.20 1.06 0.42 0.24 0.00 0.00 174.94 176.63 1aqm s THR 42 N -2.08 4.01 0.00 8.37 -4.23 -1.18 -4.73 115.64 115.80 1aqm s THR 42 Ca 0.71 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1aqm s THR 42 Cb -0.25 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1aqm s THR 42 CO 0.41 -0.79 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1aqm n GLY 43 N -1.80 4.28 0.05 3.99 0.00 -1.26 -4.98 105.19 105.46 1aqm n GLY 43 Ca 0.08 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.73 1aqm n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aqm n SER 44 N 0.00 0.64 -4.76 1.61 3.41 -1.26 -4.92 113.62 108.34 1aqm n SER 44 Ca 0.00 -0.05 -0.38 0.00 -0.26 0.00 0.00 58.87 58.18 1aqm n SER 44 Cb 0.00 0.41 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1aqm n SER 44 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1aqm s GLN 45 N -3.16 3.41 0.33 4.33 1.11 -1.26 -3.16 119.66 121.26 1aqm s GLN 45 Ca 0.06 2.05 0.01 0.00 0.01 0.00 0.00 55.36 57.48 1aqm s GLN 45 Cb 0.14 -2.33 0.57 0.00 -1.01 0.00 0.00 33.01 30.39 1aqm s GLN 45 CO 0.75 -0.92 1.99 0.11 0.01 0.00 0.00 175.29 177.23 1aqm h TRP 46 N 1.72 0.86 0.00 0.91 5.08 -1.65 -2.80 115.95 120.08 1aqm h TRP 46 Ca -0.50 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.48 1aqm h TRP 46 Cb 1.28 -0.29 0.00 0.00 -3.00 0.00 0.00 29.16 27.15 1aqm h TRP 46 CO 0.49 0.56 0.00 -2.67 -1.28 0.00 0.00 178.44 175.54 1aqm n TRP 47 N -4.42 0.00 0.24 0.12 4.27 -1.26 -2.74 117.44 113.65 1aqm n TRP 47 Ca 0.07 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.77 1aqm n TRP 47 Cb 0.05 -0.09 0.59 0.00 -1.36 0.00 0.00 31.31 30.50 1aqm n TRP 47 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 1aqm h THR 48 N 0.00 0.78 0.00 -1.67 1.35 -1.84 -1.98 112.91 109.55 1aqm h THR 48 Ca 0.00 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 65.06 1aqm h THR 48 Cb 0.05 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1aqm h THR 48 CO 0.00 0.19 -0.04 0.03 -0.25 0.00 0.00 175.52 175.45 1aqm h ARG 49 N 0.00 0.00 -0.69 4.72 2.47 -1.76 -2.52 114.38 116.61 1aqm h ARG 49 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1aqm h ARG 49 Cb 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1aqm h ARG 49 CO 0.03 0.04 0.00 0.66 0.56 0.00 0.00 179.97 181.26 1aqm n TYR 50 N -3.51 1.49 -3.63 3.04 4.02 -0.74 -4.56 117.16 113.27 1aqm n TYR 50 Ca -0.02 -0.52 -0.28 0.00 -0.01 0.00 0.00 57.90 57.07 1aqm n TYR 50 Cb 0.15 -0.38 -0.12 0.00 -0.02 0.00 0.00 39.34 38.97 1aqm n TYR 50 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1aqm s GLN 51 N -2.24 1.40 0.57 -0.72 -0.21 -0.95 -4.86 119.66 112.66 1aqm s GLN 51 Ca 0.40 -2.34 -0.20 0.00 0.02 0.00 0.00 55.36 53.24 1aqm s GLN 51 Cb 0.30 -2.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1aqm s GLN 51 CO 0.12 -1.28 1.26 -2.14 -2.12 0.00 0.00 175.29 171.13 1aqm s PRO 52 N -0.16 3.04 -0.04 2.91 0.02 -1.26 -2.26 135.00 137.25 1aqm s PRO 52 Ca 0.25 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.24 1aqm s PRO 52 Cb -0.09 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 1aqm s PRO 52 CO -0.11 -1.19 -0.02 0.28 -0.33 0.00 0.00 177.00 175.62 1aqm n VAL 53 N -1.37 0.23 -3.28 3.83 0.31 -0.32 -1.18 118.33 116.55 1aqm n VAL 53 Ca 0.12 -0.10 -0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1aqm n VAL 53 Cb 0.48 -0.71 0.01 0.00 -0.91 0.00 0.00 33.84 32.71 1aqm n VAL 53 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1aqm n SER 54 N -2.49 -0.76 -0.98 4.52 3.41 -1.21 -4.32 113.62 111.80 1aqm n SER 54 Ca -0.07 -1.52 0.08 0.00 -0.26 0.00 0.00 58.87 57.10 1aqm n SER 54 Cb 0.58 1.26 0.25 0.00 -0.26 0.00 0.00 64.21 66.04 1aqm n SER 54 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1aqm n TYR 55 N -0.18 0.93 -2.34 7.33 4.01 -1.26 -3.49 117.16 122.16 1aqm n TYR 55 Ca -0.03 -0.70 -0.40 0.00 -0.16 0.00 0.00 57.90 56.61 1aqm n TYR 55 Cb 0.20 -0.22 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 1aqm n TYR 55 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1aqm s GLU 56 N -2.05 4.49 -1.54 -0.72 2.02 -1.26 -4.77 118.70 114.88 1aqm s GLU 56 Ca 0.38 1.94 -0.09 0.00 0.02 0.00 0.00 54.97 57.22 1aqm s GLU 56 Cb 0.27 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1aqm s GLU 56 CO 0.14 0.03 2.75 1.28 0.02 0.00 0.00 175.26 179.49 1aqm n LEU 57 N 0.94 8.43 -3.71 1.80 4.77 -1.26 -0.78 117.00 127.20 1aqm n LEU 57 Ca -0.00 -4.49 -0.29 0.00 -0.03 0.00 0.00 56.01 51.20 1aqm n LEU 57 Cb 0.44 -1.52 -0.16 0.00 -2.33 0.00 0.00 43.42 39.86 1aqm n LEU 57 CO 0.55 1.99 -0.35 -1.58 -1.33 0.00 0.00 177.39 176.68 1aqm s GLN 58 N 1.39 0.63 0.10 3.23 0.74 -1.22 -1.19 119.66 123.34 1aqm s GLN 58 Ca 0.64 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 55.40 1aqm s GLN 58 Cb 0.18 -1.95 -0.01 0.00 1.10 0.00 0.00 33.01 32.33 1aqm s GLN 58 CO -0.07 -0.81 0.08 -1.13 -0.55 0.00 0.00 175.29 172.81 1aqm n SER 59 N 5.00 -0.00 0.28 6.67 3.41 -0.81 -3.63 113.62 124.54 1aqm n SER 59 Ca -0.06 -1.65 0.13 0.00 -0.26 0.00 0.00 58.87 57.03 1aqm n SER 59 Cb 0.45 0.47 0.84 0.00 -0.26 0.00 0.00 64.21 65.70 1aqm n SER 59 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1aqm h ARG 60 N 0.00 0.00 0.00 4.33 2.43 -1.89 -1.57 114.38 117.68 1aqm h ARG 60 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1aqm h ARG 60 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1aqm h ARG 60 CO 0.11 0.03 0.00 0.78 -1.51 0.00 0.00 179.97 179.38 1aqm h GLY 61 N 0.17 0.00 0.00 2.80 0.00 -1.90 -3.47 103.07 100.67 1aqm h GLY 61 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aqm h GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1aqm n GLY 62 N 0.85 0.65 4.00 4.60 0.00 -0.59 -1.71 105.19 112.99 1aqm n GLY 62 Ca 0.03 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 1aqm n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqm s ASN 63 N -2.12 4.44 0.24 1.61 2.20 -1.26 -1.93 114.94 118.12 1aqm s ASN 63 Ca 0.00 -0.47 -0.05 0.00 -0.94 0.00 0.00 52.86 51.40 1aqm s ASN 63 Cb 0.00 0.09 0.35 0.00 -2.00 0.00 0.00 41.25 39.68 1aqm s ASN 63 CO 0.00 -1.80 1.85 -0.09 -2.94 0.00 0.00 177.10 174.12 1aqm h ARG 64 N -0.42 0.93 -0.42 3.55 2.43 -1.55 -1.00 114.38 117.89 1aqm h ARG 64 Ca -0.35 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.72 1aqm h ARG 64 Cb 1.27 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1aqm h ARG 64 CO 0.40 0.61 0.10 0.00 -1.51 0.00 0.00 179.97 179.57 1aqm h ALA 65 N 1.41 0.56 -0.43 2.80 0.00 -1.95 -1.24 119.26 120.41 1aqm h ALA 65 Ca 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1aqm h ALA 65 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1aqm h ALA 65 CO -0.18 0.25 0.00 1.96 0.00 0.00 0.00 179.25 181.28 1aqm h GLN 66 N 0.55 0.69 -0.05 0.00 4.20 -1.84 -0.19 115.11 118.48 1aqm h GLN 66 Ca 0.13 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1aqm h GLN 66 Cb 0.33 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 1aqm h GLN 66 CO 0.00 0.71 0.01 0.35 -0.67 0.00 0.00 178.83 179.23 1aqm h PHE 67 N 0.65 0.08 -0.85 2.96 3.57 -0.93 -1.33 116.94 121.10 1aqm h PHE 67 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1aqm h PHE 67 Cb 0.40 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 1aqm h PHE 67 CO 0.02 0.31 0.50 0.82 -2.23 0.00 0.00 178.31 177.73 1aqm h ILE 68 N -0.17 1.24 -0.48 1.41 2.04 -1.02 -1.71 117.51 118.81 1aqm h ILE 68 Ca 0.01 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1aqm h ILE 68 Cb 0.28 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1aqm h ILE 68 CO 0.00 0.26 0.26 -0.78 0.00 0.00 0.00 178.15 177.89 1aqm h ASP 69 N 1.17 0.40 -0.36 1.72 3.58 -0.89 -1.76 116.42 120.29 1aqm h ASP 69 Ca 0.30 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 1aqm h ASP 69 Cb -0.02 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1aqm h ASP 69 CO -0.05 0.28 0.22 -0.03 -2.88 0.00 0.00 179.24 176.78 1aqm h MET 70 N 0.52 0.48 -0.66 0.28 4.05 -0.59 -0.73 114.93 118.29 1aqm h MET 70 Ca 0.20 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1aqm h MET 70 Cb 0.07 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 1aqm h MET 70 CO -0.12 0.35 0.42 0.28 0.23 0.00 0.00 176.91 178.07 1aqm h VAL 71 N 0.47 1.18 0.18 -5.77 2.07 -1.00 -1.14 116.25 112.24 1aqm h VAL 71 Ca 0.13 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1aqm h VAL 71 Cb -0.01 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1aqm h VAL 71 CO -0.03 0.18 -0.09 0.78 0.02 0.00 0.00 177.57 178.43 1aqm h ASN 72 N 0.89 -0.21 -0.73 0.57 2.35 -1.07 -0.20 115.58 117.19 1aqm h ASN 72 Ca 0.24 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1aqm h ASN 72 Cb -0.07 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1aqm h ASN 72 CO -0.05 -0.03 0.27 0.03 -1.65 0.00 0.00 177.43 176.01 1aqm h ARG 73 N -0.38 1.11 -0.35 0.81 3.08 -1.07 -1.39 114.38 116.19 1aqm h ARG 73 Ca -0.03 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.67 1aqm h ARG 73 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1aqm h ARG 73 CO 0.04 0.92 -0.34 0.00 -1.07 0.00 0.00 179.97 179.51 1aqm h SER 75 N 0.65 0.76 0.22 0.00 0.87 -0.76 0.40 113.55 115.70 1aqm h SER 75 Ca 0.06 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1aqm h SER 75 Cb 0.93 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1aqm h SER 75 CO 0.09 0.55 -0.26 0.00 -0.53 0.00 0.00 176.83 176.68 1aqm h ALA 76 N 1.25 1.50 0.00 6.23 0.00 -1.17 -1.65 119.26 125.42 1aqm h ALA 76 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aqm h ALA 76 Cb -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aqm h ALA 76 CO -0.06 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1aqm n ALA 77 N -2.49 2.38 -0.50 0.00 0.00 -0.64 -4.91 120.51 114.36 1aqm n ALA 77 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1aqm n ALA 77 Cb 0.33 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1aqm n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqm n GLY 78 N 1.35 0.84 3.15 0.00 0.00 -0.62 -4.51 105.19 105.40 1aqm n GLY 78 Ca 0.10 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1aqm n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqm s VAL 79 N -2.00 2.04 0.59 1.61 1.01 0.04 -4.87 120.40 118.82 1aqm s VAL 79 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1aqm s VAL 79 Cb 0.00 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1aqm s VAL 79 CO 0.00 0.54 1.02 -1.81 0.00 0.00 0.00 175.10 174.85 1aqm s ASP 80 N 0.98 6.26 -0.13 3.32 1.01 -0.79 -3.20 116.67 124.11 1aqm s ASP 80 Ca -0.03 1.50 0.01 0.00 0.71 0.00 0.00 52.55 54.74 1aqm s ASP 80 Cb -0.15 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1aqm s ASP 80 CO -0.06 -0.85 -0.15 -0.63 0.21 0.00 0.00 175.17 173.70 1aqm s ILE 81 N -2.96 2.79 -0.17 0.77 -1.09 -1.26 -0.94 121.20 118.34 1aqm s ILE 81 Ca 0.57 -0.75 -0.02 0.00 -2.23 0.00 0.00 60.65 58.22 1aqm s ILE 81 Cb -0.11 -2.16 -0.01 0.00 -1.58 0.00 0.00 42.46 38.59 1aqm s ILE 81 CO 0.46 0.53 -0.08 -0.31 -1.23 0.00 0.00 174.94 174.31 1aqm s TYR 82 N 0.50 2.91 -0.19 3.97 2.02 0.03 -2.08 117.35 124.52 1aqm s TYR 82 Ca -0.10 -0.69 -0.12 0.00 -0.37 0.00 0.00 57.07 55.79 1aqm s TYR 82 Cb -0.16 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 1aqm s TYR 82 CO 0.04 -0.31 0.21 0.08 -1.57 0.00 0.00 175.55 174.01 1aqm s VAL 83 N 0.78 5.35 -0.37 0.71 1.01 -0.35 -1.90 120.40 125.64 1aqm s VAL 83 Ca -0.03 0.36 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1aqm s VAL 83 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1aqm s VAL 83 CO 0.01 0.40 1.42 -0.62 0.00 0.00 0.00 175.10 176.32 1aqm s ASP 84 N 0.49 6.38 -0.17 3.32 -1.08 -1.24 -1.10 116.67 123.29 1aqm s ASP 84 Ca 0.12 0.98 -0.04 0.00 -0.52 0.00 0.00 52.55 53.09 1aqm s ASP 84 Cb -0.12 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.77 1aqm s ASP 84 CO 0.01 -1.37 -0.03 -0.89 0.52 0.00 0.00 175.17 173.41 1aqm s THR 85 N 5.28 3.85 -0.75 1.71 2.01 0.69 -4.34 115.64 124.09 1aqm s THR 85 Ca 0.62 -0.37 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 1aqm s THR 85 Cb -0.15 -2.70 0.10 0.00 0.01 0.00 0.00 72.50 69.76 1aqm s THR 85 CO 0.31 0.47 0.96 -0.76 -0.69 0.00 0.00 174.62 174.91 1aqm s LEU 86 N 0.58 4.89 0.00 4.42 2.01 -1.26 -1.02 118.68 128.29 1aqm s LEU 86 Ca -0.03 -1.50 0.24 0.00 0.01 0.00 0.00 54.13 52.85 1aqm s LEU 86 Cb -0.14 -2.38 0.25 0.00 0.01 0.00 0.00 46.19 43.93 1aqm s LEU 86 CO 0.02 -1.22 1.24 2.30 1.01 0.00 0.00 176.35 179.71 1aqm n ILE 87 N 5.64 0.00 -0.10 -0.59 -5.35 -1.26 -4.53 119.36 113.18 1aqm n ILE 87 Ca 0.05 -0.14 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1aqm n ILE 87 Cb 0.46 0.83 -0.15 0.00 -1.74 0.00 0.00 39.64 39.04 1aqm n ILE 87 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1aqm n ASN 88 N -0.65 0.55 -3.30 7.28 5.15 -1.26 -4.92 115.26 118.11 1aqm n ASN 88 Ca 0.09 -0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.94 1aqm n ASN 88 Cb 0.39 0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 40.19 1aqm n ASN 88 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1aqm s HIS 89 N -2.50 0.77 0.41 1.20 -3.43 -1.26 -1.94 115.29 108.53 1aqm s HIS 89 Ca -0.16 -1.11 0.04 0.00 -0.80 0.00 0.00 55.06 53.03 1aqm s HIS 89 Cb 0.07 0.14 -0.04 0.00 -1.43 0.00 0.00 32.58 31.32 1aqm s HIS 89 CO 0.78 -1.20 0.07 -1.64 -2.00 0.00 0.00 174.74 170.74 1aqm s MET 90 N -3.06 1.92 0.68 -0.38 -1.94 -0.65 -4.68 119.30 111.19 1aqm s MET 90 Ca 0.26 -2.15 -0.17 0.00 -1.71 0.00 0.00 55.69 51.92 1aqm s MET 90 Cb -0.01 -1.02 0.01 0.00 2.01 0.00 0.00 34.83 35.82 1aqm s MET 90 CO 0.17 -0.32 1.27 0.00 -0.01 0.00 0.00 175.02 176.13 1aqm n ALA 91 N -0.94 0.93 -2.23 3.03 0.00 -0.33 -2.47 120.51 118.51 1aqm n ALA 91 Ca -0.08 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1aqm n ALA 91 Cb 0.66 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.78 1aqm n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqm s ALA 92 N -1.51 3.38 0.00 0.00 0.00 -1.26 -4.08 121.76 118.28 1aqm s ALA 92 Ca 0.81 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1aqm s ALA 92 Cb -0.37 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1aqm s ALA 92 CO 0.42 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1aqm n GLY 93 N -1.62 2.76 3.26 0.00 0.00 -1.26 -4.87 105.19 103.46 1aqm n GLY 93 Ca 0.02 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 1aqm n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aqm s SER 94 N -4.00 1.58 0.00 1.61 0.01 -1.26 -3.68 113.70 107.95 1aqm s SER 94 Ca 0.00 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.16 1aqm s SER 94 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1aqm s SER 94 CO 0.00 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1aqm n GLY 95 N -0.24 -0.43 3.08 3.44 0.00 -0.83 -4.98 105.19 105.23 1aqm n GLY 95 Ca -0.08 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.71 1aqm n GLY 95 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aqm s THR 96 N -3.27 0.76 0.55 2.61 -1.32 -1.26 -2.09 115.64 111.62 1aqm s THR 96 Ca 0.00 -0.87 0.07 0.00 -1.21 0.00 0.00 61.69 59.67 1aqm s THR 96 Cb 0.00 -0.73 0.07 0.00 -1.51 0.00 0.00 72.50 70.33 1aqm s THR 96 CO 0.00 -0.11 0.76 -0.83 -2.21 0.00 0.00 174.62 172.23 1aqm s GLY 97 N -1.09 1.81 0.20 6.08 0.00 0.83 -3.08 107.32 112.06 1aqm s GLY 97 Ca -0.02 -1.85 0.18 0.00 0.00 0.00 0.00 44.72 43.03 1aqm s GLY 97 CO 0.01 -1.47 1.56 -1.30 0.00 0.00 0.00 173.10 171.90 1aqm n THR 98 N -2.24 1.07 -0.35 0.90 -2.24 -0.29 -1.56 114.28 109.57 1aqm n THR 98 Ca 0.13 0.42 0.07 0.00 -2.27 0.00 0.00 64.05 62.40 1aqm n THR 98 Cb 0.60 -1.35 0.21 0.00 -2.10 0.00 0.00 70.33 67.70 1aqm n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqm n ALA 99 N -1.69 2.39 -0.18 6.98 0.00 -1.26 -4.80 120.51 121.94 1aqm n ALA 99 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1aqm n ALA 99 Cb 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1aqm n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqm n GLY 100 N 0.63 0.98 3.77 0.00 0.00 -0.60 -5.06 105.19 104.92 1aqm n GLY 100 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1aqm n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aqm s ASN 101 N -2.90 6.94 0.26 1.61 0.01 -1.26 -4.73 114.94 114.87 1aqm s ASN 101 Ca 0.00 2.09 0.04 0.00 -0.71 0.00 0.00 52.86 54.28 1aqm s ASN 101 Cb 0.00 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 1aqm s ASN 101 CO 0.00 -0.37 0.39 -0.44 -1.51 0.00 0.00 177.10 175.17 1aqm s SER 102 N -1.38 6.32 0.14 -1.22 0.01 -1.26 -0.12 113.70 116.18 1aqm s SER 102 Ca 0.54 0.14 -0.21 0.00 1.31 0.00 0.00 55.95 57.72 1aqm s SER 102 Cb -0.25 -1.89 0.06 0.00 0.21 0.00 0.00 66.02 64.15 1aqm s SER 102 CO 0.31 -0.10 0.53 0.72 0.41 0.00 0.00 173.24 175.11 1aqm s PHE 103 N -2.03 -0.43 0.00 2.43 -0.71 -0.89 -4.48 117.98 111.87 1aqm s PHE 103 Ca 0.35 0.20 0.00 0.00 -1.04 0.00 0.00 56.93 56.44 1aqm s PHE 103 Cb -0.09 0.45 0.00 0.00 -1.21 0.00 0.00 43.02 42.17 1aqm s PHE 103 CO 0.30 -0.79 0.00 0.41 -1.34 0.00 0.00 175.22 173.80 1aqm n GLY 104 N -0.28 2.50 3.76 1.99 0.00 -0.77 -1.96 105.19 110.44 1aqm n GLY 104 Ca -0.17 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1aqm n GLY 104 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1aqm n ASN 105 N 0.00 -3.09 -2.28 1.61 5.03 -1.24 -1.55 115.26 113.74 1aqm n ASN 105 Ca 0.00 -0.77 -0.21 0.00 0.87 0.00 0.00 54.58 54.47 1aqm n ASN 105 Cb 0.00 -4.14 -0.02 0.00 -1.02 0.00 0.00 39.78 34.60 1aqm n ASN 105 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1aqm n LYS 106 N -4.49 -1.64 -4.11 3.52 5.02 -1.26 -4.72 118.16 110.46 1aqm n LYS 106 Ca -0.14 1.05 -0.33 0.00 -2.02 0.00 0.00 58.31 56.87 1aqm n LYS 106 Cb 0.61 -5.67 -0.15 0.00 -0.02 0.00 0.00 35.03 29.79 1aqm n LYS 106 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1aqm s SER 107 N -2.16 3.45 0.33 4.39 0.01 -0.60 -2.17 113.70 116.95 1aqm s SER 107 Ca 0.00 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.72 1aqm s SER 107 Cb 0.00 -1.55 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 1aqm s SER 107 CO 0.00 0.00 0.08 -0.36 0.41 0.00 0.00 173.24 173.37 1aqm s PHE 108 N 1.29 1.86 0.46 2.43 0.40 -0.26 -1.84 117.98 122.32 1aqm s PHE 108 Ca 0.04 -1.06 0.12 0.00 -0.60 0.00 0.00 56.93 55.43 1aqm s PHE 108 Cb -0.14 -1.20 1.06 0.00 0.51 0.00 0.00 43.02 43.25 1aqm s PHE 108 CO -0.09 -0.11 2.10 -1.35 0.70 0.00 0.00 175.22 176.47 1aqm h PRO 109 N 2.09 0.28 -0.06 0.24 0.11 -1.79 -3.19 132.00 129.69 1aqm h PRO 109 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1aqm h PRO 109 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1aqm h PRO 109 CO 0.66 0.19 0.00 0.44 -0.21 0.00 0.00 178.00 179.07 1aqm n ILE 110 N -4.50 0.21 -3.96 4.15 -5.35 -1.26 -5.03 119.36 103.62 1aqm n ILE 110 Ca 0.01 -0.60 -0.09 0.00 -0.27 0.00 0.00 62.75 61.79 1aqm n ILE 110 Cb 0.09 1.03 -0.10 0.00 -1.74 0.00 0.00 39.64 38.91 1aqm n ILE 110 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1aqm s TYR 111 N -0.73 0.22 0.39 4.28 2.02 -1.21 -5.08 117.35 117.25 1aqm s TYR 111 Ca 0.11 -0.47 0.08 0.00 -0.37 0.00 0.00 57.07 56.41 1aqm s TYR 111 Cb 0.07 -0.17 -0.05 0.00 -0.40 0.00 0.00 41.96 41.41 1aqm s TYR 111 CO 0.10 -0.24 0.16 -1.54 -1.57 0.00 0.00 175.55 172.46 1aqm s SER 112 N -1.61 4.45 0.55 2.29 1.04 -1.26 -1.11 113.70 118.05 1aqm s SER 112 Ca -0.13 -1.01 0.22 0.00 0.48 0.00 0.00 55.95 55.51 1aqm s SER 112 Cb -0.07 -0.53 1.45 0.00 0.10 0.00 0.00 66.02 66.97 1aqm s SER 112 CO -0.01 -0.46 2.13 -0.65 0.98 0.00 0.00 173.24 175.22 1aqm h PRO 113 N 1.49 0.00 0.00 4.02 0.11 -1.72 -1.56 132.00 134.33 1aqm h PRO 113 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1aqm h PRO 113 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1aqm h PRO 113 CO 0.68 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.51 1aqm n GLN 114 N -4.27 0.12 -0.20 1.05 3.00 -1.26 -2.82 117.38 113.01 1aqm n GLN 114 Ca 0.00 0.13 0.09 0.00 -0.01 0.00 0.00 57.00 57.21 1aqm n GLN 114 Cb 0.23 -1.50 0.25 0.00 0.00 0.00 0.00 30.24 29.22 1aqm n GLN 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1aqm n ASP 115 N -1.41 2.41 -4.43 1.08 8.00 -0.59 -4.89 116.55 116.72 1aqm n ASP 115 Ca 0.07 -1.93 -0.24 0.00 0.71 0.00 0.00 54.79 53.39 1aqm n ASP 115 Cb 0.20 -0.26 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 1aqm n ASP 115 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1aqm s PHE 116 N -1.48 2.18 0.63 1.24 0.40 -1.13 -0.77 117.98 119.05 1aqm s PHE 116 Ca 0.32 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 56.12 1aqm s PHE 116 Cb 0.17 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.68 1aqm s PHE 116 CO 0.23 0.57 1.08 -1.01 0.70 0.00 0.00 175.22 176.79 1aqm s HIS 117 N -2.24 2.85 0.32 0.36 3.76 0.07 -4.70 115.29 115.70 1aqm s HIS 117 Ca 0.25 1.52 -0.29 0.00 -0.15 0.00 0.00 55.06 56.38 1aqm s HIS 117 Cb -0.06 -3.06 -0.11 0.00 1.11 0.00 0.00 32.58 30.47 1aqm s HIS 117 CO 0.12 -1.35 1.50 -1.83 -0.85 0.00 0.00 174.74 172.32 1aqm s GLU 118 N -4.19 4.17 0.19 1.40 1.03 -1.26 -4.76 118.70 115.28 1aqm s GLU 118 Ca 0.64 2.49 -0.33 0.00 0.03 0.00 0.00 54.97 57.80 1aqm s GLU 118 Cb -0.17 -3.03 -0.13 0.00 -0.80 0.00 0.00 34.13 30.00 1aqm s GLU 118 CO 0.41 -0.51 1.67 0.43 -1.33 0.00 0.00 175.26 175.93 1aqm n SER 119 N 1.47 3.68 -3.48 0.83 7.64 -1.26 -4.85 113.62 117.65 1aqm n SER 119 Ca 0.05 1.07 -0.13 0.00 1.01 0.00 0.00 58.87 60.86 1aqm n SER 119 Cb 0.39 -1.52 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 1aqm n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqm s THR 121 N -3.17 5.24 -0.26 0.00 2.01 -1.26 -0.39 115.64 117.82 1aqm s THR 121 Ca -0.02 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 1aqm s THR 121 Cb -0.01 -3.30 -0.00 0.00 0.01 0.00 0.00 72.50 69.20 1aqm s THR 121 CO -0.08 0.57 0.85 -0.63 -0.69 0.00 0.00 174.62 174.64 1aqm s ILE 122 N -0.59 4.80 0.29 1.82 1.01 -0.96 -4.79 121.20 122.77 1aqm s ILE 122 Ca 0.12 1.53 -0.01 0.00 0.00 0.00 0.00 60.65 62.29 1aqm s ILE 122 Cb -0.12 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 1aqm s ILE 122 CO 0.02 -0.14 0.50 0.20 0.00 0.00 0.00 174.94 175.53 1aqm s ASN 123 N 1.40 6.36 0.24 3.58 0.02 -1.26 -4.86 114.94 120.43 1aqm s ASN 123 Ca 0.35 0.50 -0.05 0.00 -1.02 0.00 0.00 52.86 52.65 1aqm s ASN 123 Cb -0.15 -2.05 0.37 0.00 0.02 0.00 0.00 41.25 39.44 1aqm s ASN 123 CO 0.09 -0.19 1.83 -1.13 0.02 0.00 0.00 177.10 177.72 1aqm h ASN 124 N 1.36 0.78 0.55 -1.22 -1.24 -2.03 -0.98 115.58 112.80 1aqm h ASN 124 Ca -0.49 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.55 1aqm h ASN 124 Cb 1.20 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1aqm h ASN 124 CO 0.64 0.48 0.00 0.77 -1.29 0.00 0.00 177.43 178.03 1aqm h SER 125 N 0.90 0.00 -0.07 1.15 4.64 -2.03 -2.78 113.55 115.37 1aqm h SER 125 Ca 0.39 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 1aqm h SER 125 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1aqm h SER 125 CO -0.21 0.00 -0.07 0.44 -0.87 0.00 0.00 176.83 176.12 1aqm h ASP 126 N 0.00 0.29 -0.59 4.97 3.32 -1.52 -2.81 116.42 120.08 1aqm h ASP 126 Ca 0.00 -0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1aqm h ASP 126 Cb 0.28 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1aqm h ASP 126 CO 0.00 0.41 0.39 1.88 -1.72 0.00 0.00 179.24 180.20 1aqm h TYR 127 N 0.30 0.51 0.00 4.55 0.05 -1.60 -0.55 116.97 120.23 1aqm h TYR 127 Ca 0.07 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.79 1aqm h TYR 127 Cb 0.32 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 1aqm h TYR 127 CO 0.01 0.26 -1.31 0.41 -1.05 0.00 0.00 178.16 176.48 1aqm n GLY 128 N -1.50 -1.30 0.00 3.88 0.00 -1.07 0.09 105.19 105.29 1aqm n GLY 128 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1aqm n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aqm n ASN 129 N -2.70 0.38 -3.36 1.61 2.04 -1.05 -4.09 115.26 108.10 1aqm n ASN 129 Ca -0.05 -1.17 -0.17 0.00 -0.44 0.00 0.00 54.58 52.75 1aqm n ASN 129 Cb 0.67 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.84 1aqm n ASN 129 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1aqm s ASP 130 N -0.17 1.15 0.44 0.53 -1.08 -0.24 -4.99 116.67 112.31 1aqm s ASP 130 Ca 0.00 -1.64 0.16 0.00 -0.52 0.00 0.00 52.55 50.55 1aqm s ASP 130 Cb 0.00 0.55 1.00 0.00 -1.46 0.00 0.00 42.92 43.01 1aqm s ASP 130 CO 0.00 -0.25 1.96 0.08 0.52 0.00 0.00 175.17 177.47 1aqm h ARG 131 N 6.98 0.00 -0.20 4.34 0.11 -1.89 -2.47 114.38 121.25 1aqm h ARG 131 Ca 0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 1aqm h ARG 131 Cb 1.05 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 1aqm h ARG 131 CO 0.20 0.23 0.10 -0.92 0.10 0.00 0.00 179.97 179.67 1aqm h TYR 132 N 0.00 0.28 -0.54 4.08 3.20 -1.94 -2.10 116.97 119.95 1aqm h TYR 132 Ca -0.00 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.76 1aqm h TYR 132 Cb 0.43 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1aqm h TYR 132 CO 0.00 0.28 -0.05 0.00 -1.64 0.00 0.00 178.16 176.75 1aqm h ARG 133 N 0.20 0.99 -0.80 1.82 3.08 -1.86 0.14 114.38 117.95 1aqm h ARG 133 Ca 0.07 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 59.82 1aqm h ARG 133 Cb 0.10 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1aqm h ARG 133 CO -0.01 1.01 0.53 0.28 -1.07 0.00 0.00 179.97 180.71 1aqm h VAL 134 N 0.86 1.10 0.00 2.04 2.07 -1.33 -0.40 116.25 120.59 1aqm h VAL 134 Ca 0.15 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1aqm h VAL 134 Cb 0.60 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1aqm h VAL 134 CO 0.04 0.17 -1.38 0.00 0.02 0.00 0.00 177.57 176.42 1aqm n GLN 135 N -4.46 0.30 -0.00 1.57 6.02 -0.80 -4.53 117.38 115.48 1aqm n GLN 135 Ca 0.11 -0.08 0.03 0.00 -0.01 0.00 0.00 57.00 57.05 1aqm n GLN 135 Cb 0.15 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 1aqm n GLN 135 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1aqm n ASN 136 N -1.86 2.79 -4.81 1.08 3.02 0.03 -4.66 115.26 110.84 1aqm n ASN 136 Ca 0.01 -0.17 -0.22 0.00 -0.03 0.00 0.00 54.58 54.16 1aqm n ASN 136 Cb 0.44 1.19 0.08 0.00 -0.61 0.00 0.00 39.78 40.87 1aqm n ASN 136 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aqm s GLU 138 N -4.98 4.48 -0.40 0.00 2.02 0.48 -4.79 118.70 115.51 1aqm s GLU 138 Ca 0.62 1.03 -0.26 0.00 0.02 0.00 0.00 54.97 56.39 1aqm s GLU 138 Cb -0.07 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.78 1aqm s GLU 138 CO 0.42 0.20 0.92 -1.17 0.02 0.00 0.00 175.26 175.64 1aqm s LEU 139 N 0.27 4.00 -1.66 1.80 2.96 -1.26 -2.28 118.68 122.52 1aqm s LEU 139 Ca 0.39 0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 54.63 1aqm s LEU 139 Cb -0.20 -3.23 0.09 0.00 0.50 0.00 0.00 46.19 43.36 1aqm s LEU 139 CO 0.22 -0.91 0.32 1.33 -1.32 0.00 0.00 176.35 175.98 1aqm n VAL 140 N 6.11 -0.92 -0.64 1.68 0.24 -1.26 -1.16 118.33 122.37 1aqm n VAL 140 Ca 0.07 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1aqm n VAL 140 Cb 0.48 -1.10 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 1aqm n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aqm n GLY 141 N -1.92 1.63 3.71 7.63 0.00 -1.26 -5.01 105.19 109.97 1aqm n GLY 141 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 1aqm n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqm s LEU 142 N 0.00 4.37 -0.14 0.99 1.02 -0.31 -4.46 118.68 120.15 1aqm s LEU 142 Ca 0.00 2.29 -0.32 0.00 0.02 0.00 0.00 54.13 56.12 1aqm s LEU 142 Cb 0.00 -3.58 -0.09 0.00 0.02 0.00 0.00 46.19 42.53 1aqm s LEU 142 CO 0.00 -0.65 2.05 0.00 0.02 0.00 0.00 176.35 177.77 1aqm n ALA 143 N 4.07 1.31 -2.59 4.21 0.00 -1.03 -4.10 120.51 122.37 1aqm n ALA 143 Ca 0.11 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1aqm n ALA 143 Cb 0.43 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 1aqm n ALA 143 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1aqm s ASP 144 N 5.85 6.61 0.46 0.00 2.15 -1.26 -1.64 116.67 128.84 1aqm s ASP 144 Ca 0.97 0.40 -0.24 0.00 0.43 0.00 0.00 52.55 54.11 1aqm s ASP 144 Cb -0.56 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 39.48 1aqm s ASP 144 CO 0.45 -1.12 1.29 -0.76 -0.17 0.00 0.00 175.17 174.86 1aqm s LEU 145 N 4.05 4.06 -1.12 -1.34 1.43 -0.82 -0.75 118.68 124.19 1aqm s LEU 145 Ca 0.43 2.62 -0.19 0.00 -1.03 0.00 0.00 54.13 55.95 1aqm s LEU 145 Cb -0.09 -4.08 0.09 0.00 0.03 0.00 0.00 46.19 42.14 1aqm s LEU 145 CO 0.27 -1.07 1.49 -0.62 0.23 0.00 0.00 176.35 176.65 1aqm s ASP 146 N -0.93 6.72 0.00 2.29 2.15 0.05 -4.54 116.67 122.41 1aqm s ASP 146 Ca 0.63 -2.11 0.12 0.00 0.43 0.00 0.00 52.55 51.62 1aqm s ASP 146 Cb -0.37 -2.52 0.65 0.00 -0.30 0.00 0.00 42.92 40.39 1aqm s ASP 146 CO 0.46 -1.21 1.23 0.35 -0.17 0.00 0.00 175.17 175.83 1aqm n THR 147 N 6.15 0.40 0.57 1.71 -2.24 -1.26 -1.57 114.28 118.04 1aqm n THR 147 Ca 0.37 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 1aqm n THR 147 Cb 0.48 -0.91 0.08 0.00 -2.10 0.00 0.00 70.33 67.88 1aqm n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqm n ALA 148 N -1.17 3.22 -2.14 6.98 0.00 -1.26 -4.72 120.51 121.42 1aqm n ALA 148 Ca 0.07 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1aqm n ALA 148 Cb 0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 1aqm n ALA 148 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1aqm s SER 149 N -4.03 7.01 0.30 0.00 0.15 -0.61 -4.95 113.70 111.57 1aqm s SER 149 Ca 0.05 2.23 -0.02 0.00 0.70 0.00 0.00 55.95 58.91 1aqm s SER 149 Cb 0.14 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.29 1aqm s SER 149 CO 0.77 -0.46 1.96 -1.13 1.20 0.00 0.00 173.24 175.57 1aqm h ASN 150 N 5.82 0.93 0.05 5.45 -1.24 -1.91 -1.18 115.58 123.50 1aqm h ASN 150 Ca -0.44 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 56.53 1aqm h ASN 150 Cb 1.21 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.03 1aqm h ASN 150 CO 0.78 0.69 -0.03 0.22 -1.29 0.00 0.00 177.43 177.81 1aqm h TYR 151 N 1.09 -0.06 -0.57 0.67 3.20 -1.94 -1.11 116.97 118.24 1aqm h TYR 151 Ca 0.29 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.18 1aqm h TYR 151 Cb -0.09 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1aqm h TYR 151 CO 0.00 0.08 0.36 0.28 -1.64 0.00 0.00 178.16 177.24 1aqm h VAL 152 N -0.20 1.09 -0.60 1.81 2.07 -1.76 -0.85 116.25 117.81 1aqm h VAL 152 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1aqm h VAL 152 Cb 0.17 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1aqm h VAL 152 CO 0.01 0.13 0.32 1.56 0.02 0.00 0.00 177.57 179.61 1aqm h GLN 153 N 0.71 0.85 -0.80 1.57 4.20 -1.14 -1.46 115.11 119.04 1aqm h GLN 153 Ca 0.22 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 1aqm h GLN 153 Cb -0.02 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 1aqm h GLN 153 CO -0.08 0.66 0.34 -0.91 -0.67 0.00 0.00 178.83 178.17 1aqm h ASN 154 N 0.82 1.08 -0.29 1.46 2.35 -0.92 -0.87 115.58 119.21 1aqm h ASN 154 Ca 0.21 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1aqm h ASN 154 Cb 0.07 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1aqm h ASN 154 CO -0.03 0.95 0.02 0.74 -1.65 0.00 0.00 177.43 177.45 1aqm h THR 155 N 1.15 1.25 -0.26 2.81 2.02 -0.76 -0.83 112.91 118.29 1aqm h THR 155 Ca 0.27 -0.88 -0.14 0.00 0.77 0.00 0.00 66.41 66.42 1aqm h THR 155 Cb 0.18 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1aqm h THR 155 CO -0.03 0.29 -0.42 0.40 0.37 0.00 0.00 175.52 176.13 1aqm h ILE 156 N 0.30 1.30 -0.30 3.11 2.04 -1.20 -2.85 117.51 119.91 1aqm h ILE 156 Ca 0.08 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.26 1aqm h ILE 156 Cb 0.40 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1aqm h ILE 156 CO 0.01 0.51 -0.16 0.00 0.00 0.00 0.00 178.15 178.51 1aqm h ALA 157 N 1.00 1.17 -0.55 1.87 0.00 -1.06 -1.72 119.26 119.97 1aqm h ALA 157 Ca 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1aqm h ALA 157 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1aqm h ALA 157 CO 0.09 0.53 0.12 0.00 0.00 0.00 0.00 179.25 179.98 1aqm h ALA 158 N 1.35 0.72 0.18 0.00 0.00 -1.01 -0.14 119.26 120.36 1aqm h ALA 158 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1aqm h ALA 158 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1aqm h ALA 158 CO 0.04 0.44 -0.09 -0.92 0.00 0.00 0.00 179.25 178.72 1aqm h TYR 159 N 0.78 -0.22 -0.35 0.00 3.20 -1.23 -0.33 116.97 118.81 1aqm h TYR 159 Ca 0.17 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1aqm h TYR 159 Cb 0.37 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1aqm h TYR 159 CO 0.03 -0.10 0.15 0.82 -1.64 0.00 0.00 178.16 177.42 1aqm h ILE 160 N -0.29 0.94 -0.10 1.81 2.04 -1.14 -1.55 117.51 119.22 1aqm h ILE 160 Ca -0.02 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1aqm h ILE 160 Cb 0.23 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1aqm h ILE 160 CO 0.04 0.06 -0.19 0.78 0.00 0.00 0.00 178.15 178.84 1aqm h ASN 161 N 0.32 0.16 -0.42 1.72 2.35 -0.94 -1.34 115.58 117.43 1aqm h ASN 161 Ca 0.15 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1aqm h ASN 161 Cb 0.09 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1aqm h ASN 161 CO -0.13 0.36 -0.10 0.44 -1.65 0.00 0.00 177.43 176.36 1aqm h ASP 162 N 0.16 0.82 -0.43 5.81 3.32 -0.49 -1.67 116.42 123.93 1aqm h ASP 162 Ca 0.03 -0.36 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 1aqm h ASP 162 Cb 0.43 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1aqm h ASP 162 CO 0.03 0.99 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.41 1aqm h LEU 163 N 0.64 0.85 -0.86 1.55 3.38 -0.77 -2.63 115.31 117.47 1aqm h LEU 163 Ca 0.11 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1aqm h LEU 163 Cb 0.63 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1aqm h LEU 163 CO 0.04 0.94 0.09 1.56 0.09 0.00 0.00 178.44 181.17 1aqm h GLN 164 N 0.79 0.94 -0.56 1.13 4.20 -1.09 -1.44 115.11 119.09 1aqm h GLN 164 Ca 0.14 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1aqm h GLN 164 Cb 0.55 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1aqm h GLN 164 CO 0.03 0.88 0.37 0.00 -0.67 0.00 0.00 178.83 179.44 1aqm h ALA 165 N 1.20 1.60 -0.02 3.87 0.00 -0.94 -1.10 119.26 123.87 1aqm h ALA 165 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1aqm h ALA 165 Cb 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1aqm h ALA 165 CO 0.01 0.37 0.00 0.44 0.00 0.00 0.00 179.25 180.07 1aqm n ILE 166 N -4.45 0.01 0.00 0.00 -5.35 -1.01 -4.93 119.36 103.63 1aqm n ILE 166 Ca 0.05 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1aqm n ILE 166 Cb 0.05 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 1aqm n ILE 166 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1aqm n GLY 167 N 1.13 1.56 3.72 3.28 0.00 -0.42 -4.81 105.19 109.66 1aqm n GLY 167 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1aqm n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqm s VAL 168 N -1.99 2.16 -0.75 1.61 1.01 -0.58 -4.79 120.40 117.07 1aqm s VAL 168 Ca 0.00 0.12 0.19 0.00 0.00 0.00 0.00 61.98 62.29 1aqm s VAL 168 Cb 0.00 -3.08 -0.23 0.00 0.00 0.00 0.00 36.38 33.08 1aqm s VAL 168 CO 0.00 0.01 0.75 0.29 0.00 0.00 0.00 175.10 176.15 1aqm n LYS 169 N 3.69 0.60 -3.89 2.72 4.76 -0.88 -4.32 118.16 120.84 1aqm n LYS 169 Ca 0.14 -0.03 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 1aqm n LYS 169 Cb 0.36 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 32.09 1aqm n LYS 169 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1aqm s GLY 170 N -3.11 0.21 -0.05 0.72 0.00 -1.07 -2.20 107.32 101.83 1aqm s GLY 170 Ca 0.05 -0.56 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 1aqm s GLY 170 CO 0.80 -0.41 0.17 -1.36 0.00 0.00 0.00 173.10 172.31 1aqm s PHE 171 N -3.95 -0.14 -0.25 1.90 0.40 0.49 -1.21 117.98 115.22 1aqm s PHE 171 Ca 0.16 0.34 -0.08 0.00 -0.60 0.00 0.00 56.93 56.75 1aqm s PHE 171 Cb -0.02 0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.52 1aqm s PHE 171 CO 0.05 -0.15 0.08 0.50 0.70 0.00 0.00 175.22 176.40 1aqm s ARG 172 N -0.28 3.70 -0.57 0.44 3.52 -0.25 -1.15 118.95 124.36 1aqm s ARG 172 Ca -0.04 -0.45 -0.21 0.00 -0.13 0.00 0.00 55.73 54.89 1aqm s ARG 172 Cb -0.03 -3.34 0.06 0.00 -1.56 0.00 0.00 34.95 30.08 1aqm s ARG 172 CO 0.01 -0.15 0.81 -0.06 -0.81 0.00 0.00 175.30 175.10 1aqm s PHE 173 N 1.54 2.87 0.37 5.12 0.08 0.10 -0.22 117.98 127.83 1aqm s PHE 173 Ca 0.06 -0.46 -0.27 0.00 0.12 0.00 0.00 56.93 56.39 1aqm s PHE 173 Cb -0.15 -3.95 -0.09 0.00 -0.57 0.00 0.00 43.02 38.26 1aqm s PHE 173 CO 0.04 -1.32 1.18 0.34 -0.10 0.00 0.00 175.22 175.37 1aqm s ASP 174 N 3.13 6.68 -1.48 1.36 2.15 -0.19 -1.95 116.67 126.37 1aqm s ASP 174 Ca 0.21 2.40 -0.11 0.00 0.43 0.00 0.00 52.55 55.48 1aqm s ASP 174 Cb -0.17 -2.62 0.06 0.00 -0.30 0.00 0.00 42.92 39.89 1aqm s ASP 174 CO 0.13 -0.57 0.97 0.00 -0.17 0.00 0.00 175.17 175.53 1aqm n ALA 175 N 0.38 -1.40 0.00 3.66 0.00 -1.26 -4.11 120.51 117.78 1aqm n ALA 175 Ca 0.03 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.67 1aqm n ALA 175 Cb 0.45 -4.23 0.43 0.00 0.00 0.00 0.00 19.45 16.10 1aqm n ALA 175 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1aqm h SER 176 N -2.13 0.46 -0.02 0.00 0.02 -1.52 -2.18 113.55 108.17 1aqm h SER 176 Ca -0.58 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.36 1aqm h SER 176 Cb 1.37 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 1aqm h SER 176 CO 0.64 0.33 0.02 0.50 -1.14 0.00 0.00 176.83 177.19 1aqm h LYS 177 N 0.54 0.00 -0.18 3.45 3.64 -1.90 -1.51 116.57 120.61 1aqm h LYS 177 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1aqm h LYS 177 Cb -0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1aqm h LYS 177 CO -0.03 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.87 1aqm n HIS 178 N -4.01 0.24 -4.66 1.91 8.25 -0.82 -4.68 115.22 111.46 1aqm n HIS 178 Ca -0.02 -0.12 -0.25 0.00 -0.26 0.00 0.00 57.72 57.06 1aqm n HIS 178 Cb 0.11 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.06 1aqm n HIS 178 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1aqm s VAL 179 N -1.76 1.23 0.28 1.59 1.01 -0.57 -4.35 120.40 117.83 1aqm s VAL 179 Ca 0.24 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1aqm s VAL 179 Cb 0.12 -1.11 -0.13 0.00 0.00 0.00 0.00 36.38 35.27 1aqm s VAL 179 CO 0.18 0.37 1.42 0.00 0.00 0.00 0.00 175.10 177.08 1aqm n ALA 180 N 3.71 1.53 -0.04 5.51 0.00 -1.26 -4.87 120.51 125.10 1aqm n ALA 180 Ca -0.22 0.39 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1aqm n ALA 180 Cb 0.52 -2.32 0.55 0.00 0.00 0.00 0.00 19.45 18.20 1aqm n ALA 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqm h ALA 181 N 3.87 2.10 0.00 0.00 0.00 -1.89 -0.06 119.26 123.28 1aqm h ALA 181 Ca -0.46 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1aqm h ALA 181 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1aqm h ALA 181 CO 0.73 -0.22 -0.36 0.66 0.00 0.00 0.00 179.25 180.05 1aqm h SER 182 N 0.30 0.00 -0.06 0.00 4.64 -1.93 -0.98 113.55 115.52 1aqm h SER 182 Ca 0.25 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.40 1aqm h SER 182 Cb 0.57 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1aqm h SER 182 CO -0.06 0.36 -0.53 0.44 -0.87 0.00 0.00 176.83 176.18 1aqm h ASP 183 N 0.00 0.71 -0.36 4.97 3.32 -1.34 -2.32 116.42 121.40 1aqm h ASP 183 Ca -0.00 -0.37 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 1aqm h ASP 183 Cb 0.66 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1aqm h ASP 183 CO 0.05 1.11 -0.30 0.40 -1.72 0.00 0.00 179.24 178.77 1aqm h ILE 184 N 0.50 1.27 -0.64 0.35 2.04 -1.07 -1.12 117.51 118.84 1aqm h ILE 184 Ca 0.01 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 1aqm h ILE 184 Cb 1.09 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 1aqm h ILE 184 CO 0.11 0.49 0.37 1.56 0.00 0.00 0.00 178.15 180.68 1aqm h GLN 185 N 0.75 0.88 -0.60 2.37 4.20 -1.11 0.01 115.11 121.62 1aqm h GLN 185 Ca 0.08 -0.09 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1aqm h GLN 185 Cb 0.87 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1aqm h GLN 185 CO 0.08 0.65 -0.02 1.03 -0.67 0.00 0.00 178.83 179.90 1aqm h SER 186 N 0.87 1.05 -0.10 1.46 0.87 -1.34 -2.67 113.55 113.69 1aqm h SER 186 Ca 0.23 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1aqm h SER 186 Cb 0.01 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1aqm h SER 186 CO -0.04 1.11 0.05 0.25 -0.53 0.00 0.00 176.83 177.66 1aqm h LEU 187 N 0.96 0.14 -2.36 2.23 5.85 -0.74 -2.99 115.31 118.40 1aqm h LEU 187 Ca 0.17 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1aqm h LEU 187 Cb 0.58 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1aqm h LEU 187 CO 0.03 0.24 0.05 0.24 -0.34 0.00 0.00 178.44 178.66 1aqm h MET 188 N 0.03 0.00 0.00 1.25 2.86 -0.88 -0.65 114.93 117.54 1aqm h MET 188 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1aqm h MET 188 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1aqm h MET 188 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1aqm h ALA 189 N 1.94 1.00 -0.01 6.32 0.00 -1.32 -2.33 119.26 124.87 1aqm h ALA 189 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1aqm h ALA 189 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1aqm h ALA 189 CO -0.00 0.00 -0.56 1.63 0.00 0.00 0.00 179.25 180.32 1aqm n LYS 190 N -2.87 0.57 -3.16 0.00 5.02 -0.26 -4.92 118.16 112.55 1aqm n LYS 190 Ca 0.01 -0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 55.48 1aqm n LYS 190 Cb 0.27 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1aqm n LYS 190 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1aqm s VAL 191 N -2.72 5.11 0.32 -0.18 1.01 -0.88 -4.93 120.40 118.13 1aqm s VAL 191 Ca 0.16 1.22 -0.29 0.00 0.00 0.00 0.00 61.98 63.07 1aqm s VAL 191 Cb 0.18 -3.94 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1aqm s VAL 191 CO 0.66 0.28 1.30 0.20 0.00 0.00 0.00 175.10 177.54 1aqm s ASN 192 N 0.74 6.80 0.97 3.32 0.01 -1.26 -4.84 114.94 120.68 1aqm s ASN 192 Ca 0.32 2.65 0.00 0.00 -0.71 0.00 0.00 52.86 55.13 1aqm s ASN 192 Cb -0.17 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.85 1aqm s ASN 192 CO 0.14 -0.52 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 1aqm n GLY 193 N 0.96 1.03 2.42 0.66 0.00 -1.26 -4.48 105.19 104.52 1aqm n GLY 193 Ca 0.01 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.15 1aqm n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aqm s SER 194 N -4.00 1.61 0.86 1.61 1.04 -1.26 -5.13 113.70 108.44 1aqm s SER 194 Ca 0.00 -3.06 -0.12 0.00 0.48 0.00 0.00 55.95 53.25 1aqm s SER 194 Cb 0.00 -0.48 0.11 0.00 0.10 0.00 0.00 66.02 65.75 1aqm s SER 194 CO 0.00 -0.17 1.10 -2.16 0.98 0.00 0.00 173.24 172.99 1aqm s PRO 195 N 0.04 1.55 0.02 4.02 0.04 -1.26 -4.98 135.00 134.44 1aqm s PRO 195 Ca 0.32 0.68 -0.30 0.00 0.04 0.00 0.00 61.00 61.74 1aqm s PRO 195 Cb 0.02 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1aqm s PRO 195 CO -0.19 -2.00 1.18 0.08 0.04 0.00 0.00 177.00 176.11 1aqm s VAL 196 N -3.06 4.18 -0.05 -0.36 1.01 -0.93 -4.95 120.40 116.23 1aqm s VAL 196 Ca 0.62 1.55 0.02 0.00 0.00 0.00 0.00 61.98 64.18 1aqm s VAL 196 Cb -0.16 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1aqm s VAL 196 CO 0.55 0.08 -0.10 -0.69 0.00 0.00 0.00 175.10 174.95 1aqm s VAL 197 N 1.40 0.96 -0.05 2.92 1.01 -1.26 -0.38 120.40 125.01 1aqm s VAL 197 Ca 0.57 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1aqm s VAL 197 Cb -0.27 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1aqm s VAL 197 CO 0.27 0.31 -0.12 0.72 0.00 0.00 0.00 175.10 176.28 1aqm s PHE 198 N 0.58 1.36 -0.18 5.22 -0.71 -0.30 -1.18 117.98 122.77 1aqm s PHE 198 Ca -0.11 -0.43 -0.07 0.00 -1.04 0.00 0.00 56.93 55.28 1aqm s PHE 198 Cb -0.14 -0.97 -0.04 0.00 -1.21 0.00 0.00 43.02 40.66 1aqm s PHE 198 CO 0.02 -0.20 0.07 -0.65 -1.34 0.00 0.00 175.22 173.12 1aqm s GLN 199 N 0.38 3.93 -0.55 1.99 -0.21 0.36 -0.73 119.66 124.83 1aqm s GLN 199 Ca -0.08 -0.33 -0.27 0.00 0.02 0.00 0.00 55.36 54.69 1aqm s GLN 199 Cb -0.13 -3.21 0.03 0.00 1.00 0.00 0.00 33.01 30.71 1aqm s GLN 199 CO 0.02 0.32 1.10 -2.00 -2.12 0.00 0.00 175.29 172.61 1aqm s GLU 200 N 0.25 3.51 -0.14 2.91 2.12 -0.82 -1.62 118.70 124.90 1aqm s GLU 200 Ca 0.04 0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.53 1aqm s GLU 200 Cb -0.12 -4.00 0.04 0.00 0.26 0.00 0.00 34.13 30.32 1aqm s GLU 200 CO 0.00 -1.54 0.01 0.08 -0.54 0.00 0.00 175.26 173.26 1aqm s VAL 201 N 4.53 0.59 -0.47 3.70 1.01 -1.26 -2.19 120.40 126.31 1aqm s VAL 201 Ca 0.40 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 61.84 1aqm s VAL 201 Cb -0.09 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1aqm s VAL 201 CO 0.25 0.03 0.72 -0.63 0.00 0.00 0.00 175.10 175.47 1aqm s ILE 202 N 1.86 4.72 -0.26 2.22 1.01 -1.26 -4.59 121.20 124.90 1aqm s ILE 202 Ca 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 1aqm s ILE 202 Cb -0.15 -4.30 0.09 0.00 0.01 0.00 0.00 42.46 38.11 1aqm s ILE 202 CO -0.07 -0.73 0.10 -0.62 0.00 0.00 0.00 174.94 173.62 1aqm s ASP 203 N 2.25 3.30 -0.11 3.58 2.15 -1.26 -4.96 116.67 121.62 1aqm s ASP 203 Ca 0.25 -1.15 0.16 0.00 0.43 0.00 0.00 52.55 52.23 1aqm s ASP 203 Cb -0.14 -0.46 0.56 0.00 -0.30 0.00 0.00 42.92 42.58 1aqm s ASP 203 CO 0.19 -0.40 1.48 0.00 -0.17 0.00 0.00 175.17 176.27 1aqm n GLN 204 N 5.15 3.34 0.00 4.34 1.13 -1.26 -4.56 117.38 125.52 1aqm n GLN 204 Ca -0.06 -2.68 0.00 0.00 -1.94 0.00 0.00 57.00 52.32 1aqm n GLN 204 Cb 0.44 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 29.05 1aqm n GLN 204 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aqm n GLY 205 N 0.45 2.24 2.14 1.08 0.00 -1.26 -5.02 105.19 104.82 1aqm n GLY 205 Ca 0.21 -1.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 1aqm n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqm n GLY 206 N 1.85 0.40 3.93 -0.02 0.00 -1.26 -5.04 105.19 105.05 1aqm n GLY 206 Ca 0.00 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1aqm n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aqm s GLU 207 N -3.64 3.46 0.31 1.61 0.41 -1.26 -4.44 118.70 115.14 1aqm s GLU 207 Ca 0.00 -0.48 0.16 0.00 -0.41 0.00 0.00 54.97 54.24 1aqm s GLU 207 Cb 0.00 -2.98 0.36 0.00 -1.78 0.00 0.00 34.13 29.74 1aqm s GLU 207 CO 0.00 0.54 1.58 0.00 -0.49 0.00 0.00 175.26 176.90 1aqm h ALA 208 N 2.55 0.82 -3.16 5.21 0.00 -0.49 -3.41 119.26 120.77 1aqm h ALA 208 Ca -0.47 -0.46 -0.67 0.00 0.00 0.00 0.00 54.91 53.31 1aqm h ALA 208 Cb 1.18 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.58 1aqm h ALA 208 CO 0.72 0.63 -0.75 0.08 0.00 0.00 0.00 179.25 179.93 1aqm s VAL 209 N -3.30 2.94 0.16 0.00 1.01 -1.26 -4.86 120.40 115.09 1aqm s VAL 209 Ca 0.01 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1aqm s VAL 209 Cb 0.10 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1aqm s VAL 209 CO 0.73 0.30 0.29 -0.83 0.00 0.00 0.00 175.10 175.58 1aqm s GLY 210 N 1.37 1.63 0.34 4.51 0.00 -1.26 -4.96 107.32 108.96 1aqm s GLY 210 Ca 0.02 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1aqm s GLY 210 CO -0.05 -1.07 1.99 0.00 0.00 0.00 0.00 173.10 173.96 1aqm h ALA 211 N 2.01 1.57 -0.07 3.20 0.00 -1.92 -2.50 119.26 121.55 1aqm h ALA 211 Ca -0.49 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1aqm h ALA 211 Cb 1.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1aqm h ALA 211 CO 0.67 0.38 0.17 0.66 0.00 0.00 0.00 179.25 181.12 1aqm h SER 212 N 0.88 0.00 0.75 0.00 4.64 -2.01 -1.43 113.55 116.38 1aqm h SER 212 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1aqm h SER 212 Cb -0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1aqm h SER 212 CO -0.07 0.00 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.49 1aqm h GLU 213 N 0.00 0.00 -0.34 4.77 5.08 -1.86 -3.08 114.58 119.14 1aqm h GLU 213 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1aqm h GLU 213 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1aqm h GLU 213 CO -0.00 0.07 0.00 0.66 -1.00 0.00 0.00 179.01 178.74 1aqm n TYR 214 N -3.25 0.43 0.30 4.33 4.02 -0.54 -4.53 117.16 117.93 1aqm n TYR 214 Ca -0.00 -0.22 0.19 0.00 -0.01 0.00 0.00 57.90 57.86 1aqm n TYR 214 Cb 0.29 0.00 0.92 0.00 -0.02 0.00 0.00 39.34 40.52 1aqm n TYR 214 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1aqm h LEU 215 N 4.50 0.00 0.00 7.72 3.38 -1.65 -2.87 115.31 126.38 1aqm h LEU 215 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aqm h LEU 215 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1aqm h LEU 215 CO 0.00 0.01 -0.56 -1.54 0.09 0.00 0.00 178.44 176.44 1aqm n SER 216 N -3.12 0.70 -0.73 -0.43 3.41 -1.26 -3.91 113.62 108.27 1aqm n SER 216 Ca -0.01 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1aqm n SER 216 Cb 0.20 0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.27 1aqm n SER 216 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1aqm n THR 217 N -2.10 0.00 -2.11 6.66 -2.24 -1.08 -5.07 114.28 108.34 1aqm n THR 217 Ca 0.04 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1aqm n THR 217 Cb 0.43 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 70.04 1aqm n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aqm n GLY 218 N 1.36 -0.36 3.78 3.38 0.00 -1.22 -4.88 105.19 107.24 1aqm n GLY 218 Ca 0.11 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 1aqm n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqm s LEU 219 N 0.00 2.94 -0.00 0.99 1.43 -0.32 -4.48 118.68 119.23 1aqm s LEU 219 Ca 0.00 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1aqm s LEU 219 Cb 0.00 -4.39 -0.01 0.00 0.03 0.00 0.00 46.19 41.82 1aqm s LEU 219 CO 0.00 -1.91 -0.07 -0.69 0.23 0.00 0.00 176.35 173.92 1aqm s VAL 220 N -2.97 0.53 -0.02 -1.59 1.01 0.32 -0.49 120.40 117.19 1aqm s VAL 220 Ca 0.60 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1aqm s VAL 220 Cb -0.16 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.71 1aqm s VAL 220 CO 0.56 0.12 1.55 0.42 0.00 0.00 0.00 175.10 177.74 1aqm s THR 221 N -0.22 3.55 -0.95 3.92 -4.23 -0.64 -1.64 115.64 115.43 1aqm s THR 221 Ca 0.02 0.84 -0.14 0.00 -1.18 0.00 0.00 61.69 61.23 1aqm s THR 221 Cb -0.03 -3.54 0.21 0.00 1.34 0.00 0.00 72.50 70.48 1aqm s THR 221 CO -0.00 -0.03 0.98 -0.70 -0.54 0.00 0.00 174.62 174.32 1aqm s GLU 222 N 3.16 3.79 0.55 3.99 2.56 -0.41 -4.50 118.70 127.84 1aqm s GLU 222 Ca 0.69 -2.51 0.37 0.00 0.00 0.00 0.00 54.97 53.51 1aqm s GLU 222 Cb -0.33 -4.61 1.79 0.00 2.00 0.00 0.00 34.13 32.98 1aqm s GLU 222 CO 0.28 -1.41 2.10 0.74 -0.56 0.00 0.00 175.26 176.41 1aqm h PHE 223 N 7.67 0.00 -0.05 5.30 -1.00 -1.86 -2.30 116.94 124.70 1aqm h PHE 223 Ca 0.15 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.88 1aqm h PHE 223 Cb 0.98 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.54 1aqm h PHE 223 CO 1.01 0.00 -0.22 0.87 -1.61 0.00 0.00 178.31 178.36 1aqm h LYS 224 N 0.00 0.08 0.51 1.51 1.57 -1.90 -2.71 116.57 115.63 1aqm h LYS 224 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1aqm h LYS 224 Cb 0.22 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1aqm h LYS 224 CO 0.00 0.30 -0.25 -0.92 -0.57 0.00 0.00 179.45 178.01 1aqm h TYR 225 N 0.08 -0.64 -0.51 -1.35 5.03 -1.78 0.83 116.97 118.63 1aqm h TYR 225 Ca 0.01 -0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.38 1aqm h TYR 225 Cb 0.43 0.21 -0.06 0.00 1.55 0.00 0.00 36.73 38.86 1aqm h TYR 225 CO 0.00 -0.34 0.15 1.03 -1.32 0.00 0.00 178.16 177.68 1aqm h SER 226 N -0.82 0.12 -0.17 -2.11 0.87 -1.61 -0.68 113.55 109.15 1aqm h SER 226 Ca -0.07 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1aqm h SER 226 Cb 0.58 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1aqm h SER 226 CO 0.12 0.09 -0.04 0.74 -0.53 0.00 0.00 176.83 177.21 1aqm h THR 227 N 0.31 1.28 -0.28 2.23 2.02 -1.40 -2.14 112.91 114.94 1aqm h THR 227 Ca 0.25 -0.99 -0.16 0.00 0.77 0.00 0.00 66.41 66.28 1aqm h THR 227 Cb 0.30 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1aqm h THR 227 CO -0.28 0.29 -0.47 -0.33 0.37 0.00 0.00 175.52 175.11 1aqm h GLU 228 N 0.03 0.73 -0.29 6.66 4.39 -0.71 -0.57 114.58 124.82 1aqm h GLU 228 Ca 0.04 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1aqm h GLU 228 Cb 0.46 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1aqm h GLU 228 CO 0.02 1.03 0.13 1.25 -1.16 0.00 0.00 179.01 180.28 1aqm h LEU 229 N 0.58 0.39 -0.68 1.33 5.85 -1.17 0.59 115.31 122.20 1aqm h LEU 229 Ca 0.03 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 1aqm h LEU 229 Cb 1.03 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1aqm h LEU 229 CO 0.10 0.43 0.28 1.23 -0.34 0.00 0.00 178.44 180.14 1aqm h GLY 230 N 0.33 1.09 1.05 3.75 0.00 -1.28 -1.02 103.07 106.99 1aqm h GLY 230 Ca 0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1aqm h GLY 230 CO -0.01 0.56 0.03 -0.57 0.00 0.00 0.00 176.54 176.55 1aqm h ASN 231 N 0.97 0.97 -0.10 0.19 -1.24 -0.84 -2.03 115.58 113.50 1aqm h ASN 231 Ca 0.23 -0.29 -0.03 0.00 0.71 0.00 0.00 56.30 56.92 1aqm h ASN 231 Cb 0.20 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.98 1aqm h ASN 231 CO -0.02 1.02 -0.04 0.74 -1.29 0.00 0.00 177.43 177.84 1aqm h THR 232 N 0.89 1.31 -0.42 -3.57 2.02 -0.72 0.11 112.91 112.53 1aqm h THR 232 Ca 0.17 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1aqm h THR 232 Cb 0.50 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 1aqm h THR 232 CO 0.02 0.29 0.21 -0.26 0.37 0.00 0.00 175.52 176.15 1aqm h PHE 233 N -0.14 0.57 0.05 3.16 -1.00 -1.16 0.18 116.94 118.60 1aqm h PHE 233 Ca 0.02 -0.01 -0.28 0.00 2.81 0.00 0.00 57.97 60.52 1aqm h PHE 233 Cb 0.48 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1aqm h PHE 233 CO 0.06 0.42 -1.51 0.00 -1.61 0.00 0.00 178.31 175.67 1aqm h ARG 234 N 0.58 0.12 -0.00 1.51 3.08 -1.36 -3.43 114.38 114.88 1aqm h ARG 234 Ca 0.15 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1aqm h ARG 234 Cb 0.05 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1aqm h ARG 234 CO -0.02 1.09 -0.13 0.09 -1.07 0.00 0.00 179.97 179.93 1aqm n ASN 235 N -4.07 0.87 0.00 7.04 3.02 0.38 -5.06 115.26 117.44 1aqm n ASN 235 Ca -0.31 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1aqm n ASN 235 Cb 0.82 0.52 0.00 0.00 -0.61 0.00 0.00 39.78 40.51 1aqm n ASN 235 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aqm n GLY 236 N 0.75 5.62 3.36 7.41 0.00 0.05 -4.97 105.19 117.41 1aqm n GLY 236 Ca 0.02 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1aqm n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aqm s SER 237 N 0.88 3.67 0.54 1.61 0.01 -1.25 -4.82 113.70 114.35 1aqm s SER 237 Ca 0.00 -0.36 0.28 0.00 1.31 0.00 0.00 55.95 57.18 1aqm s SER 237 Cb 0.00 -1.15 1.54 0.00 0.21 0.00 0.00 66.02 66.62 1aqm s SER 237 CO 0.00 0.24 2.12 -0.07 0.41 0.00 0.00 173.24 175.94 1aqm h LEU 238 N 6.12 0.00 -2.26 2.44 3.38 -1.69 -1.60 115.31 121.70 1aqm h LEU 238 Ca -0.33 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1aqm h LEU 238 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1aqm h LEU 238 CO 0.51 0.09 0.14 0.00 0.09 0.00 0.00 178.44 179.27 1aqm h ALA 239 N 1.91 1.78 0.00 1.53 0.00 -1.47 -1.19 119.26 121.82 1aqm h ALA 239 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1aqm h ALA 239 Cb 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1aqm h ALA 239 CO 0.01 -0.21 -0.05 -1.49 0.00 0.00 0.00 179.25 177.51 1aqm h TRP 240 N 0.00 0.00 0.00 0.00 6.55 -1.58 -3.11 115.95 117.81 1aqm h TRP 240 Ca 0.06 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1aqm h TRP 240 Cb 0.35 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1aqm h TRP 240 CO 0.00 0.05 0.00 1.28 -1.05 0.00 0.00 178.44 178.72 1aqm n LEU 241 N -3.22 0.00 0.30 -4.49 4.77 -0.45 -4.06 117.00 109.85 1aqm n LEU 241 Ca -0.01 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.12 1aqm n LEU 241 Cb 0.26 0.00 0.91 0.00 -2.33 0.00 0.00 43.42 42.26 1aqm n LEU 241 CO 0.27 0.00 1.13 0.77 -1.33 0.00 0.00 177.39 178.22 1aqm h SER 242 N 0.00 0.00 0.00 -1.43 4.64 -1.75 -2.38 113.55 112.63 1aqm h SER 242 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1aqm h SER 242 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 1aqm h SER 242 CO 0.00 0.00 -0.62 -0.46 -0.87 0.00 0.00 176.83 174.88 1aqm n ASN 243 N -3.86 1.50 -4.64 4.97 6.94 -1.26 -5.09 115.26 113.82 1aqm n ASN 243 Ca -0.03 -3.25 -0.41 0.00 -0.02 0.00 0.00 54.58 50.87 1aqm n ASN 243 Cb 0.08 -0.45 0.01 0.00 -2.36 0.00 0.00 39.78 37.07 1aqm n ASN 243 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1aqm n PHE 244 N -0.65 1.43 0.00 -2.53 7.35 -0.90 -3.81 117.46 118.36 1aqm n PHE 244 Ca 0.15 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 1aqm n PHE 244 Cb 0.82 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.38 1aqm n PHE 244 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1aqm n GLY 245 N 1.08 0.21 0.34 7.13 0.00 -1.26 -4.65 105.19 108.03 1aqm n GLY 245 Ca 0.09 -1.68 0.14 0.00 0.00 0.00 0.00 46.02 44.57 1aqm n GLY 245 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1aqm h GLU 246 N 0.00 0.13 0.00 1.61 3.07 -1.80 -0.55 114.58 117.05 1aqm h GLU 246 Ca 0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1aqm h GLU 246 Cb 0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1aqm h GLU 246 CO 0.00 0.09 -0.03 0.78 -1.40 0.00 0.00 179.01 178.44 1aqm h GLY 247 N 0.13 0.00 -1.72 -3.84 0.00 -1.83 -1.18 103.07 94.63 1aqm h GLY 247 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1aqm h GLY 247 CO -0.02 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.31 1aqm n TRP 248 N -4.05 0.51 -0.43 5.60 7.02 -0.24 -4.91 117.44 120.93 1aqm n TRP 248 Ca -0.03 -0.25 0.00 0.00 -1.02 0.00 0.00 57.50 56.20 1aqm n TRP 248 Cb 0.12 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 1aqm n TRP 248 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1aqm n GLY 249 N 1.32 0.76 3.89 6.99 0.00 -0.45 -5.00 105.19 112.70 1aqm n GLY 249 Ca 0.18 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1aqm n GLY 249 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aqm s PHE 250 N -2.00 3.23 0.98 1.61 0.08 -1.04 -4.99 117.98 115.86 1aqm s PHE 250 Ca 0.00 0.97 -0.12 0.00 0.12 0.00 0.00 56.93 57.89 1aqm s PHE 250 Cb 0.00 -3.17 0.18 0.00 -0.57 0.00 0.00 43.02 39.45 1aqm s PHE 250 CO 0.00 -1.32 1.10 0.00 -0.10 0.00 0.00 175.22 174.90 1aqm s MET 251 N -5.41 0.61 0.28 0.44 0.23 -1.26 -4.31 119.30 109.88 1aqm s MET 251 Ca 0.59 0.48 -0.30 0.00 -1.03 0.00 0.00 55.69 55.44 1aqm s MET 251 Cb -0.11 -1.76 -0.13 0.00 -1.53 0.00 0.00 34.83 31.30 1aqm s MET 251 CO 0.51 -2.60 1.30 -2.30 -2.03 0.00 0.00 175.02 169.89 1aqm n PRO 252 N -4.08 1.92 -0.26 3.16 -0.02 -1.26 -4.53 135.00 129.93 1aqm n PRO 252 Ca 0.05 0.68 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 1aqm n PRO 252 Cb 0.57 -2.26 0.19 0.00 -0.02 0.00 0.00 33.50 31.99 1aqm n PRO 252 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1aqm h SER 253 N 3.25 0.33 0.39 2.55 0.87 -1.95 -0.99 113.55 118.00 1aqm h SER 253 Ca -0.45 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1aqm h SER 253 Cb 1.29 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1aqm h SER 253 CO 0.68 0.13 0.00 -1.54 -0.53 0.00 0.00 176.83 175.57 1aqm n SER 254 N -4.98 0.00 -0.31 6.23 3.41 -1.26 -2.28 113.62 114.43 1aqm n SER 254 Ca 0.15 0.47 0.06 0.00 -0.26 0.00 0.00 58.87 59.29 1aqm n SER 254 Cb 0.42 -0.48 0.01 0.00 -0.26 0.00 0.00 64.21 63.89 1aqm n SER 254 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1aqm n SER 255 N -1.48 1.45 -4.83 4.04 7.64 -0.40 -4.98 113.62 115.06 1aqm n SER 255 Ca 0.03 -1.23 -0.36 0.00 1.01 0.00 0.00 58.87 58.32 1aqm n SER 255 Cb 0.14 0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 1aqm n SER 255 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqm s ALA 256 N -1.44 3.80 -0.22 -0.43 0.00 -0.97 -0.52 121.76 121.98 1aqm s ALA 256 Ca 0.11 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 1aqm s ALA 256 Cb 0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 1aqm s ALA 256 CO 0.28 0.51 0.04 0.08 0.00 0.00 0.00 175.76 176.66 1aqm s VAL 257 N -0.68 4.23 0.35 0.00 1.01 -0.65 -0.56 120.40 124.09 1aqm s VAL 257 Ca 0.13 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1aqm s VAL 257 Cb -0.12 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 1aqm s VAL 257 CO 0.03 0.40 -0.07 0.68 0.00 0.00 0.00 175.10 176.14 1aqm s VAL 258 N 1.16 2.09 -0.10 2.92 -7.23 -0.84 -1.28 120.40 117.11 1aqm s VAL 258 Ca 0.04 -2.15 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 1aqm s VAL 258 Cb -0.14 -2.70 0.12 0.00 0.56 0.00 0.00 36.38 34.22 1aqm s VAL 258 CO 0.02 -0.17 1.01 0.72 -0.31 0.00 0.00 175.10 176.38 1aqm s PHE 259 N -2.70 -0.28 0.09 2.82 -0.12 -1.26 -1.89 117.98 114.64 1aqm s PHE 259 Ca 0.33 0.26 -0.12 0.00 -0.05 0.00 0.00 56.93 57.34 1aqm s PHE 259 Cb 0.04 0.51 -0.20 0.00 -0.63 0.00 0.00 43.02 42.74 1aqm s PHE 259 CO 0.16 -0.39 1.22 0.28 -0.05 0.00 0.00 175.22 176.44 1aqm h VAL 260 N 2.12 1.29 -3.11 -2.49 2.07 -1.92 -3.29 116.25 110.92 1aqm h VAL 260 Ca -0.17 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 1aqm h VAL 260 Cb 1.20 2.34 -0.11 0.00 -1.52 0.00 0.00 31.29 33.20 1aqm h VAL 260 CO 0.28 0.69 0.14 1.51 0.02 0.00 0.00 177.57 180.21 1aqm s ASP 261 N -7.25 -0.44 0.37 0.57 -4.77 -1.26 -4.44 116.67 99.45 1aqm s ASP 261 Ca -0.09 -0.18 0.04 0.00 -3.30 0.00 0.00 52.55 49.02 1aqm s ASP 261 Cb 0.07 0.59 -0.03 0.00 -1.09 0.00 0.00 42.92 42.46 1aqm s ASP 261 CO 0.91 -0.99 0.16 0.54 0.70 0.00 0.00 175.17 176.48 1aqm s ASN 262 N -2.79 2.30 0.53 2.11 4.22 -1.26 -4.63 114.94 115.42 1aqm s ASN 262 Ca 0.03 -1.65 0.20 0.00 -2.14 0.00 0.00 52.86 49.31 1aqm s ASN 262 Cb -0.01 0.46 1.34 0.00 1.28 0.00 0.00 41.25 44.32 1aqm s ASN 262 CO -0.10 -0.93 2.10 1.12 -2.04 0.00 0.00 177.10 177.26 1aqm h HIS 263 N 1.96 0.00 0.01 1.54 2.07 -1.99 -2.25 115.15 116.49 1aqm h HIS 263 Ca -0.34 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.18 1aqm h HIS 263 Cb 1.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.24 1aqm h HIS 263 CO 1.38 0.00 -0.00 -0.44 -3.07 0.00 0.00 177.93 175.79 1aqm h ASP 264 N 0.00 -0.01 0.79 3.10 3.32 -1.97 -3.37 116.42 118.28 1aqm h ASP 264 Ca 0.09 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1aqm h ASP 264 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1aqm h ASP 264 CO -0.00 0.67 0.00 -0.55 -1.72 0.00 0.00 179.24 177.64 1aqm h ASN 265 N -1.00 0.00 0.79 6.45 7.08 -1.44 -0.98 115.58 126.48 1aqm h ASN 265 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1aqm h ASN 265 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.62 1aqm h ASN 265 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 177.43 175.35 1aqm n GLN 266 N -2.37 0.10 -0.21 4.14 10.64 -0.85 -2.45 117.38 126.37 1aqm n GLN 266 Ca 0.02 0.05 0.06 0.00 -1.83 0.00 0.00 57.00 55.30 1aqm n GLN 266 Cb 0.25 -1.50 0.16 0.00 -0.86 0.00 0.00 30.24 28.28 1aqm n GLN 266 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1aqm n ARG 267 N -1.44 2.78 -0.94 2.61 1.74 -0.43 -4.98 116.66 115.99 1aqm n ARG 267 Ca 0.08 -2.22 0.00 0.00 -0.77 0.00 0.00 57.85 54.94 1aqm n ARG 267 Cb 0.28 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 1aqm n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1aqm n GLY 268 N -0.09 0.50 3.30 -0.13 0.00 -1.03 -5.00 105.19 102.74 1aqm n GLY 268 Ca 0.13 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1aqm n GLY 268 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1aqm s HIS 269 N -2.00 3.31 0.00 1.61 3.76 -0.83 -4.39 115.29 116.76 1aqm s HIS 269 Ca 0.00 -1.36 0.00 0.00 -0.15 0.00 0.00 55.06 53.55 1aqm s HIS 269 Cb 0.00 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.51 1aqm s HIS 269 CO 0.00 -0.87 0.00 0.41 -0.85 0.00 0.00 174.74 173.43 1aqm n GLY 270 N 5.04 0.80 3.62 -2.22 0.00 -1.26 -2.50 105.19 108.66 1aqm n GLY 270 Ca -0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 1aqm n GLY 270 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqm s GLY 271 N -2.02 -0.27 0.00 -0.02 0.00 -1.26 -4.88 107.32 98.88 1aqm s GLY 271 Ca 0.00 2.40 0.00 0.00 0.00 0.00 0.00 44.72 47.12 1aqm s GLY 271 CO 0.00 1.68 0.00 0.00 0.00 0.00 0.00 173.10 174.78 1aqm n ALA 272 N 2.07 0.00 0.28 3.20 0.00 -1.26 -4.25 120.51 120.55 1aqm n ALA 272 Ca -0.13 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.46 1aqm n ALA 272 Cb 0.56 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.73 1aqm n ALA 272 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1aqm h GLY 273 N 0.00 0.00 2.00 0.00 0.00 -1.98 -2.60 103.07 100.49 1aqm h GLY 273 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aqm h GLY 273 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1aqm n ASN 274 N -2.58 0.41 -4.71 0.19 6.94 -1.26 -4.76 115.26 109.49 1aqm n ASN 274 Ca -0.01 0.58 -0.42 0.00 -0.02 0.00 0.00 54.58 54.72 1aqm n ASN 274 Cb 0.14 -0.68 -0.03 0.00 -2.36 0.00 0.00 39.78 36.85 1aqm n ASN 274 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1aqm s VAL 275 N -3.15 2.95 -0.07 3.53 1.01 -0.98 -4.13 120.40 119.55 1aqm s VAL 275 Ca 0.07 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.49 1aqm s VAL 275 Cb 0.11 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1aqm s VAL 275 CO 0.40 0.04 0.62 -0.63 0.00 0.00 0.00 175.10 175.53 1aqm s ILE 276 N 1.32 5.06 0.36 2.22 1.01 -1.26 -5.06 121.20 124.86 1aqm s ILE 276 Ca 0.68 1.26 0.04 0.00 0.00 0.00 0.00 60.65 62.63 1aqm s ILE 276 Cb -0.40 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.10 1aqm s ILE 276 CO 0.31 0.30 0.13 0.35 0.00 0.00 0.00 174.94 176.03 1aqm n THR 277 N 3.55 0.00 -0.05 2.92 -2.24 -1.26 -4.36 114.28 112.84 1aqm n THR 277 Ca -0.04 -2.11 0.19 0.00 -2.27 0.00 0.00 64.05 59.82 1aqm n THR 277 Cb 0.51 0.76 0.63 0.00 -2.10 0.00 0.00 70.33 70.14 1aqm n THR 277 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1aqm h PHE 278 N 1.60 0.14 -0.06 4.78 -5.15 -1.97 -0.49 116.94 115.79 1aqm h PHE 278 Ca -0.28 0.00 0.02 0.00 -0.20 0.00 0.00 57.97 57.51 1aqm h PHE 278 Cb 1.08 -0.05 -0.00 0.00 0.22 0.00 0.00 35.95 37.20 1aqm h PHE 278 CO 0.00 0.06 0.07 0.93 -2.00 0.00 0.00 178.31 177.37 1aqm h GLU 279 N 0.13 0.00 -0.11 6.09 5.08 -2.00 -1.41 114.58 122.35 1aqm h GLU 279 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1aqm h GLU 279 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1aqm h GLU 279 CO -0.04 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.72 1aqm n ASP 280 N -3.73 0.88 0.00 1.42 8.00 -0.19 -4.99 116.55 117.94 1aqm n ASP 280 Ca -0.02 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1aqm n ASP 280 Cb 0.16 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1aqm n ASP 280 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aqm n GLY 281 N 0.92 2.42 0.31 0.44 0.00 -0.54 -1.73 105.19 107.01 1aqm n GLY 281 Ca 0.13 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.63 1aqm n GLY 281 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1aqm h ARG 282 N 0.00 0.11 -0.57 1.61 9.65 -1.94 -0.58 114.38 122.67 1aqm h ARG 282 Ca 0.00 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.81 1aqm h ARG 282 Cb 0.00 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1aqm h ARG 282 CO 0.00 0.08 0.11 1.25 2.80 0.00 0.00 179.97 184.21 1aqm h LEU 283 N 0.12 0.86 -0.64 3.80 5.85 -1.73 -1.92 115.31 121.65 1aqm h LEU 283 Ca 0.11 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 1aqm h LEU 283 Cb 0.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1aqm h LEU 283 CO -0.01 0.85 -0.09 0.22 -0.34 0.00 0.00 178.44 179.06 1aqm h TYR 284 N 0.86 1.07 0.01 1.25 3.20 -1.22 -1.71 116.97 120.44 1aqm h TYR 284 Ca 0.18 -0.21 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1aqm h TYR 284 Cb 0.35 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1aqm h TYR 284 CO 0.02 1.00 -0.11 -0.44 -1.64 0.00 0.00 178.16 176.99 1aqm h ASP 285 N 0.87 -0.33 -0.69 -2.11 3.32 -0.93 -1.95 116.42 114.59 1aqm h ASP 285 Ca 0.14 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1aqm h ASP 285 Cb 0.64 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 1aqm h ASP 285 CO 0.04 -0.16 0.24 -0.07 -1.72 0.00 0.00 179.24 177.57 1aqm h LEU 286 N -0.20 1.00 -0.65 1.55 3.38 -1.17 -1.27 115.31 117.95 1aqm h LEU 286 Ca 0.04 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1aqm h LEU 286 Cb 0.25 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1aqm h LEU 286 CO -0.10 0.92 0.21 0.00 0.09 0.00 0.00 178.44 179.55 1aqm h ALA 287 N 1.22 0.84 -0.59 1.53 0.00 -1.19 -1.97 119.26 119.11 1aqm h ALA 287 Ca 0.23 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1aqm h ALA 287 Cb 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1aqm h ALA 287 CO -0.01 0.51 -0.04 -0.91 0.00 0.00 0.00 179.25 178.79 1aqm h ASN 288 N 0.93 1.05 -0.69 0.00 2.35 -1.10 -2.17 115.58 115.95 1aqm h ASN 288 Ca 0.21 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1aqm h ASN 288 Cb 0.28 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1aqm h ASN 288 CO -0.01 1.12 0.40 0.58 -1.65 0.00 0.00 177.43 177.87 1aqm h VAL 289 N 0.96 1.20 0.11 2.81 2.07 -0.99 -0.88 116.25 121.53 1aqm h VAL 289 Ca 0.16 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1aqm h VAL 289 Cb 0.61 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1aqm h VAL 289 CO 0.04 0.21 -0.06 0.15 0.02 0.00 0.00 177.57 177.94 1aqm h PHE 290 N 0.94 -0.14 -0.48 1.57 3.57 -1.19 -1.99 116.94 119.22 1aqm h PHE 290 Ca 0.24 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1aqm h PHE 290 Cb -0.01 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 1aqm h PHE 290 CO -0.01 0.02 0.20 1.98 -2.23 0.00 0.00 178.31 178.27 1aqm h MET 291 N -0.28 0.38 0.00 1.11 4.05 -1.18 0.05 114.93 119.06 1aqm h MET 291 Ca -0.02 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.29 1aqm h MET 291 Cb 0.23 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 1aqm h MET 291 CO 0.03 0.25 -0.45 -0.07 0.23 0.00 0.00 176.91 176.90 1aqm h LEU 292 N 0.40 0.00 0.03 3.39 3.38 -1.14 -3.17 115.31 118.19 1aqm h LEU 292 Ca 0.22 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 1aqm h LEU 292 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1aqm h LEU 292 CO -0.20 0.45 -1.41 0.00 0.09 0.00 0.00 178.44 177.38 1aqm h ALA 293 N 1.55 0.50 -2.42 1.53 0.00 -1.03 -3.37 119.26 116.02 1aqm h ALA 293 Ca -0.00 -1.18 -0.54 0.00 0.00 0.00 0.00 54.91 53.18 1aqm h ALA 293 Cb 0.92 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1aqm h ALA 293 CO 0.06 1.36 0.51 -0.47 0.00 0.00 0.00 179.25 180.71 1aqm s TYR 294 N -2.64 3.49 0.00 0.00 5.04 -0.02 -4.96 117.35 118.25 1aqm s TYR 294 Ca -0.04 1.46 -0.04 0.00 -2.44 0.00 0.00 57.07 56.01 1aqm s TYR 294 Cb 0.08 -3.30 -0.17 0.00 0.35 0.00 0.00 41.96 38.93 1aqm s TYR 294 CO 0.83 -0.75 2.65 -0.35 -1.34 0.00 0.00 175.55 176.59 1aqm n PRO 295 N 4.14 1.39 -4.82 4.97 -0.04 -1.26 -4.84 135.00 134.55 1aqm n PRO 295 Ca 0.08 -0.62 -0.27 0.00 -0.04 0.00 0.00 63.50 62.65 1aqm n PRO 295 Cb 0.48 -1.73 -0.16 0.00 -0.04 0.00 0.00 33.50 32.04 1aqm n PRO 295 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1aqm s TYR 296 N 1.26 1.80 0.20 0.54 5.04 -1.26 -5.02 117.35 119.91 1aqm s TYR 296 Ca 0.42 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 54.41 1aqm s TYR 296 Cb 0.20 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 41.26 1aqm s TYR 296 CO 0.00 -0.27 0.00 0.41 -1.34 0.00 0.00 175.55 174.35 1aqm n GLY 297 N 3.51 -1.96 3.21 8.97 0.00 -1.23 -4.73 105.19 112.96 1aqm n GLY 297 Ca -0.20 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 1aqm n GLY 297 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1aqm s TYR 298 N -1.65 3.42 0.43 1.61 5.04 0.27 -4.94 117.35 121.53 1aqm s TYR 298 Ca 0.00 -1.88 -0.20 0.00 -2.44 0.00 0.00 57.07 52.55 1aqm s TYR 298 Cb 0.00 -3.06 -0.10 0.00 0.35 0.00 0.00 41.96 39.15 1aqm s TYR 298 CO 0.00 -0.91 0.93 -1.25 -1.34 0.00 0.00 175.55 172.98 1aqm s PRO 299 N 1.32 4.16 -0.08 4.97 0.04 -1.26 -1.99 135.00 142.15 1aqm s PRO 299 Ca 0.04 1.04 0.01 0.00 0.04 0.00 0.00 61.00 62.14 1aqm s PRO 299 Cb -0.23 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.13 1aqm s PRO 299 CO -0.01 -0.05 -0.10 -1.59 0.04 0.00 0.00 177.00 175.29 1aqm s LYS 300 N -3.31 1.59 0.24 4.56 -2.85 -0.79 -1.98 119.74 117.20 1aqm s LYS 300 Ca 0.61 -0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 54.95 1aqm s LYS 300 Cb -0.09 -1.45 -0.09 0.00 -2.06 0.00 0.00 37.83 34.14 1aqm s LYS 300 CO 0.17 -0.09 0.92 0.08 0.10 0.00 0.00 175.35 176.53 1aqm s VAL 301 N 1.08 4.12 0.19 1.79 1.01 -0.02 -4.58 120.40 124.00 1aqm s VAL 301 Ca -0.07 2.02 -0.17 0.00 0.00 0.00 0.00 61.98 63.76 1aqm s VAL 301 Cb -0.14 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 31.89 1aqm s VAL 301 CO -0.01 0.45 0.65 -0.32 0.00 0.00 0.00 175.10 175.87 1aqm s MET 302 N -1.30 4.13 -0.20 2.72 1.75 -1.26 -1.15 119.30 123.99 1aqm s MET 302 Ca 0.42 0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 55.53 1aqm s MET 302 Cb -0.25 -2.89 0.06 0.00 2.84 0.00 0.00 34.83 34.60 1aqm s MET 302 CO 0.30 0.42 0.06 0.45 -0.65 0.00 0.00 175.02 175.61 1aqm s SER 303 N -1.70 2.85 0.52 1.11 0.15 -0.98 -4.20 113.70 111.45 1aqm s SER 303 Ca 0.41 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 56.25 1aqm s SER 303 Cb -0.16 -0.50 0.03 0.00 -1.71 0.00 0.00 66.02 63.68 1aqm s SER 303 CO 0.20 -0.33 0.22 -1.20 1.20 0.00 0.00 173.24 173.32 1aqm n SER 304 N 5.11 3.02 -4.27 5.45 7.64 -1.26 -3.26 113.62 126.05 1aqm n SER 304 Ca -0.08 -3.00 -0.22 0.00 1.01 0.00 0.00 58.87 56.58 1aqm n SER 304 Cb 0.47 0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.69 1aqm n SER 304 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1aqm s TYR 305 N -2.72 1.67 -0.26 1.43 -0.85 -1.26 -0.52 117.35 114.85 1aqm s TYR 305 Ca 0.16 -0.45 -0.29 0.00 -0.52 0.00 0.00 57.07 55.98 1aqm s TYR 305 Cb -0.01 -0.89 -0.01 0.00 0.38 0.00 0.00 41.96 41.42 1aqm s TYR 305 CO 0.10 0.20 1.47 0.34 -1.52 0.00 0.00 175.55 176.14 1aqm s ASP 306 N -2.09 6.52 0.00 -0.18 -1.08 -0.25 -4.87 116.67 114.72 1aqm s ASP 306 Ca 0.07 1.43 0.22 0.00 -0.52 0.00 0.00 52.55 53.75 1aqm s ASP 306 Cb -0.09 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.36 1aqm s ASP 306 CO 0.04 -1.17 1.44 2.22 0.52 0.00 0.00 175.17 178.23 1aqm n PHE 307 N 8.04 0.45 -4.02 -5.34 -1.74 -1.26 -4.84 117.46 108.74 1aqm n PHE 307 Ca 0.17 -0.22 -0.28 0.00 -0.56 0.00 0.00 57.45 56.55 1aqm n PHE 307 Cb 0.46 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.44 1aqm n PHE 307 CO 0.00 0.00 0.00 0.72 -0.56 0.00 0.00 176.76 176.92 1aqm n HIS 308 N 1.11 -1.68 -0.02 2.97 8.25 -1.26 -1.05 115.22 123.54 1aqm n HIS 308 Ca 0.18 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.40 1aqm n HIS 308 Cb 0.51 -3.55 0.00 0.00 1.12 0.00 0.00 29.99 28.07 1aqm n HIS 308 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aqm n GLY 309 N -1.86 1.73 3.49 -1.41 0.00 -1.26 -4.95 105.19 100.93 1aqm n GLY 309 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1aqm n GLY 309 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1aqm s ASP 310 N -3.16 6.25 0.00 1.61 -1.08 -0.21 -4.91 116.67 115.17 1aqm s ASP 310 Ca 0.00 -0.67 0.18 0.00 -0.52 0.00 0.00 52.55 51.53 1aqm s ASP 310 Cb 0.00 -2.43 0.93 0.00 -1.46 0.00 0.00 42.92 39.96 1aqm s ASP 310 CO 0.00 -1.34 1.52 0.35 0.52 0.00 0.00 175.17 176.22 1aqm n THR 311 N 6.05 0.38 -0.03 1.71 -2.24 -1.26 -2.88 114.28 116.01 1aqm n THR 311 Ca -0.01 0.10 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 1aqm n THR 311 Cb 0.46 -0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 1aqm n THR 311 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1aqm n ASP 312 N -1.23 1.10 -4.64 3.42 8.00 -1.26 -4.99 116.55 116.95 1aqm n ASP 312 Ca 0.09 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 1aqm n ASP 312 Cb 0.13 1.49 -0.00 0.00 -0.02 0.00 0.00 41.12 42.72 1aqm n ASP 312 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqm n ALA 313 N -2.25 0.57 -1.21 2.24 0.00 -1.14 -2.79 120.51 115.92 1aqm n ALA 313 Ca -0.10 0.32 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1aqm n ALA 313 Cb 0.63 -2.14 0.03 0.00 0.00 0.00 0.00 19.45 17.97 1aqm n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqm n GLY 314 N 1.01 -1.10 3.90 0.00 0.00 -1.19 -3.97 105.19 103.84 1aqm n GLY 314 Ca 0.08 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1aqm n GLY 314 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqm s GLY 315 N -3.47 1.80 0.71 -0.02 0.00 -1.26 -4.90 107.32 100.18 1aqm s GLY 315 Ca 0.13 -1.30 -0.16 0.00 0.00 0.00 0.00 44.72 43.39 1aqm s GLY 315 CO 0.09 -0.45 0.99 -1.05 0.00 0.00 0.00 173.10 172.68 1aqm n PRO 316 N -3.99 0.55 -0.25 2.90 -0.02 -1.26 -4.92 135.00 128.01 1aqm n PRO 316 Ca 0.17 0.24 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1aqm n PRO 316 Cb 0.59 -2.24 0.16 0.00 -0.02 0.00 0.00 33.50 31.98 1aqm n PRO 316 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1aqm n ASN 317 N -1.70 2.23 -4.16 2.55 3.02 -1.26 -4.84 115.26 111.10 1aqm n ASN 317 Ca 0.13 -2.15 -0.22 0.00 -0.03 0.00 0.00 54.58 52.31 1aqm n ASN 317 Cb 0.49 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 1aqm n ASN 317 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1aqm s VAL 318 N -1.64 1.26 0.74 2.41 0.11 -1.26 -5.14 120.40 116.88 1aqm s VAL 318 Ca 0.23 -0.92 -0.11 0.00 -2.93 0.00 0.00 61.98 58.25 1aqm s VAL 318 Cb 0.14 -1.10 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1aqm s VAL 318 CO 0.12 0.17 1.08 -2.16 -3.33 0.00 0.00 175.10 170.97 1aqm s PRO 319 N -0.87 2.52 0.09 1.54 0.04 -1.26 -4.98 135.00 132.09 1aqm s PRO 319 Ca 0.04 0.90 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 1aqm s PRO 319 Cb -0.07 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1aqm s PRO 319 CO 0.01 -1.38 1.53 0.28 0.04 0.00 0.00 177.00 177.48 1aqm h VAL 320 N -0.92 1.26 -3.69 -0.36 2.07 -1.93 -3.36 116.25 109.32 1aqm h VAL 320 Ca -0.45 -0.93 -0.78 0.00 0.82 0.00 0.00 66.70 65.36 1aqm h VAL 320 Cb 1.23 1.31 -0.25 0.00 -1.52 0.00 0.00 31.29 32.06 1aqm h VAL 320 CO 0.56 0.30 0.15 -1.00 0.02 0.00 0.00 177.57 177.60 1aqm s HIS 321 N -4.98 3.70 -0.40 1.57 3.76 -1.26 -0.55 115.29 117.12 1aqm s HIS 321 Ca -0.13 -1.93 -0.08 0.00 -0.15 0.00 0.00 55.06 52.77 1aqm s HIS 321 Cb 0.08 -3.86 0.07 0.00 1.11 0.00 0.00 32.58 29.99 1aqm s HIS 321 CO 0.76 -1.03 0.23 1.21 -0.85 0.00 0.00 174.74 175.06 1aqm s ASN 322 N 2.32 5.56 -1.68 1.40 2.47 -0.44 -4.73 114.94 119.84 1aqm s ASN 322 Ca 0.19 -1.48 -0.16 0.00 0.42 0.00 0.00 52.86 51.83 1aqm s ASN 322 Cb -0.10 -1.96 0.14 0.00 -1.45 0.00 0.00 41.25 37.88 1aqm s ASN 322 CO -0.09 -0.50 0.69 0.59 -3.72 0.00 0.00 177.10 174.07 1aqm n ASN 323 N 4.88 -2.60 0.00 -4.21 3.02 -1.26 -1.17 115.26 113.92 1aqm n ASN 323 Ca -0.10 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 1aqm n ASN 323 Cb 0.43 -2.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1aqm n ASN 323 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aqm n GLY 324 N -1.49 3.26 3.60 7.41 0.00 -1.26 -5.06 105.19 111.65 1aqm n GLY 324 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1aqm n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqm s ASN 325 N -1.07 4.57 -0.34 1.61 4.22 -0.32 -5.09 114.94 118.52 1aqm s ASN 325 Ca 0.00 -0.24 -0.24 0.00 -2.14 0.00 0.00 52.86 50.24 1aqm s ASN 325 Cb 0.00 -0.99 0.01 0.00 1.28 0.00 0.00 41.25 41.54 1aqm s ASN 325 CO 0.00 0.23 0.82 -0.22 -2.04 0.00 0.00 177.10 175.89 1aqm s LEU 326 N -1.82 4.08 -0.42 3.54 2.96 -1.26 -1.32 118.68 124.45 1aqm s LEU 326 Ca 0.20 0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1aqm s LEU 326 Cb -0.11 -3.11 -0.14 0.00 0.50 0.00 0.00 46.19 43.33 1aqm s LEU 326 CO 0.11 -0.71 3.25 -0.62 -1.32 0.00 0.00 176.35 177.06 1aqm n GLU 327 N 6.41 2.49 -4.16 1.98 -0.58 0.29 -4.91 120.64 122.17 1aqm n GLU 327 Ca 0.04 -1.65 -0.23 0.00 -0.42 0.00 0.00 57.16 54.91 1aqm n GLU 327 Cb 0.48 -2.18 -0.06 0.00 -0.57 0.00 0.00 31.44 29.10 1aqm n GLU 327 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1aqm n PHE 329 N -1.08 0.00 0.00 0.00 3.72 -0.61 -4.93 117.46 114.56 1aqm n PHE 329 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1aqm n PHE 329 Cb 0.60 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 1aqm n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aqm n ALA 330 N 0.32 0.00 0.42 4.37 0.00 -1.25 -4.96 120.51 119.41 1aqm n ALA 330 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1aqm n ALA 330 Cb 0.00 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.71 1aqm n ALA 330 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aqm n SER 331 N 0.00 2.87 0.00 0.00 3.41 -1.26 -4.77 113.62 113.87 1aqm n SER 331 Ca 0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1aqm n SER 331 Cb 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1aqm n SER 331 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1aqm n ASN 332 N 1.08 0.00 -4.73 4.04 3.02 -1.26 -4.49 115.26 112.91 1aqm n ASN 332 Ca 0.18 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.32 1aqm n ASN 332 Cb 0.48 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.61 1aqm n ASN 332 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1aqm s TRP 333 N 2.33 3.49 0.04 3.10 0.52 -1.19 -1.09 118.94 126.14 1aqm s TRP 333 Ca 0.00 1.46 -0.01 0.00 0.02 0.00 0.00 56.10 57.58 1aqm s TRP 333 Cb 0.00 -3.37 -0.27 0.00 -1.15 0.00 0.00 33.47 28.69 1aqm s TRP 333 CO 0.00 -0.98 0.98 0.87 0.02 0.00 0.00 176.95 177.84 1aqm h LYS 334 N 5.58 0.20 -6.10 4.98 1.79 -1.10 -1.61 116.57 120.30 1aqm h LYS 334 Ca -0.44 -0.34 -0.41 0.00 -2.18 0.00 0.00 60.65 57.28 1aqm h LYS 334 Cb 1.21 0.13 0.06 0.00 -1.58 0.00 0.00 32.23 32.05 1aqm h LYS 334 CO 0.75 1.08 -0.87 0.00 -1.08 0.00 0.00 179.45 179.34 1aqm h GLU 336 N -1.79 0.00 0.00 0.00 3.07 -1.88 -0.59 114.58 113.38 1aqm h GLU 336 Ca -0.63 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 1aqm h GLU 336 Cb 1.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.27 1aqm h GLU 336 CO 0.54 0.00 0.00 -2.39 -1.40 0.00 0.00 179.01 175.76 1aqm n HIS 337 N -4.07 0.45 0.73 4.33 1.44 -1.26 -1.73 115.22 115.12 1aqm n HIS 337 Ca -0.02 0.20 0.10 0.00 -2.01 0.00 0.00 57.72 55.99 1aqm n HIS 337 Cb 0.13 -0.82 -0.13 0.00 0.12 0.00 0.00 29.99 29.29 1aqm n HIS 337 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1aqm n ARG 338 N -1.93 0.31 -1.71 -1.40 1.74 -0.23 -4.31 116.66 109.12 1aqm n ARG 338 Ca 0.01 -0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.62 1aqm n ARG 338 Cb 0.13 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 1aqm n ARG 338 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1aqm n TRP 339 N -1.67 2.66 -0.30 -1.55 7.02 -0.70 -4.77 117.44 118.13 1aqm n TRP 339 Ca 0.02 0.18 0.09 0.00 -1.02 0.00 0.00 57.50 56.77 1aqm n TRP 339 Cb 0.38 -2.61 0.24 0.00 -2.42 0.00 0.00 31.31 26.90 1aqm n TRP 339 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1aqm h SER 340 N 5.76 0.46 -0.51 -0.99 4.64 -1.89 0.25 113.55 121.27 1aqm h SER 340 Ca -0.45 0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 60.89 1aqm h SER 340 Cb 1.22 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1aqm h SER 340 CO 0.87 0.16 -0.01 1.88 -0.87 0.00 0.00 176.83 178.87 1aqm h TYR 341 N 0.56 1.02 -0.06 4.77 -1.99 -1.90 0.28 116.97 119.65 1aqm h TYR 341 Ca 0.48 -0.17 -0.05 0.00 2.00 0.00 0.00 58.73 60.99 1aqm h TYR 341 Cb 0.75 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1aqm h TYR 341 CO -0.11 0.92 -0.17 0.82 -0.00 0.00 0.00 178.16 179.62 1aqm h ILE 342 N 0.87 1.44 -0.35 -2.88 2.04 -1.60 -1.28 117.51 115.74 1aqm h ILE 342 Ca 0.16 -1.56 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1aqm h ILE 342 Cb 0.52 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 1aqm h ILE 342 CO 0.03 0.44 -0.11 0.00 0.00 0.00 0.00 178.15 178.51 1aqm h ALA 343 N 0.44 1.16 -0.20 1.87 0.00 -0.97 -1.58 119.26 119.98 1aqm h ALA 343 Ca -0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1aqm h ALA 343 Cb 0.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1aqm h ALA 343 CO 0.04 0.54 -0.20 0.78 0.00 0.00 0.00 179.25 180.40 1aqm h GLY 344 N 0.95 0.39 1.07 0.00 0.00 -0.92 -1.82 103.07 102.74 1aqm h GLY 344 Ca 0.10 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1aqm h GLY 344 CO 0.03 0.26 -0.14 -1.33 0.00 0.00 0.00 176.54 175.36 1aqm h GLY 345 N 0.94 1.04 1.01 4.60 0.00 -0.31 -1.43 103.07 108.92 1aqm h GLY 345 Ca 0.06 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 1aqm h GLY 345 CO 0.04 0.79 0.36 -2.08 0.00 0.00 0.00 176.54 175.65 1aqm h VAL 346 N 0.81 1.23 -0.64 4.60 2.07 -1.06 -0.63 116.25 122.63 1aqm h VAL 346 Ca 0.12 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1aqm h VAL 346 Cb 0.71 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1aqm h VAL 346 CO 0.05 0.27 0.34 -0.78 0.02 0.00 0.00 177.57 177.47 1aqm h ASP 347 N 1.00 0.82 -0.38 0.57 3.58 -1.12 -0.88 116.42 120.02 1aqm h ASP 347 Ca 0.25 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 1aqm h ASP 347 Cb 0.10 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 1aqm h ASP 347 CO -0.03 0.70 0.22 0.15 -2.88 0.00 0.00 179.24 177.39 1aqm h PHE 348 N 0.88 0.50 -0.55 0.28 3.57 -0.71 -2.02 116.94 118.89 1aqm h PHE 348 Ca 0.22 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1aqm h PHE 348 Cb 0.07 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1aqm h PHE 348 CO -0.00 0.37 0.17 -0.09 -2.23 0.00 0.00 178.31 176.53 1aqm h ARG 349 N 0.49 0.86 -0.40 1.11 2.43 -0.74 -2.18 114.38 115.95 1aqm h ARG 349 Ca 0.13 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1aqm h ARG 349 Cb 0.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1aqm h ARG 349 CO -0.02 0.78 0.25 -0.91 -1.51 0.00 0.00 179.97 178.56 1aqm h ASN 350 N 0.77 0.47 -0.09 -3.80 2.35 -1.01 -2.85 115.58 111.42 1aqm h ASN 350 Ca 0.18 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1aqm h ASN 350 Cb 0.28 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1aqm h ASN 350 CO -0.01 0.35 0.00 0.59 -1.65 0.00 0.00 177.43 176.72 1aqm n ASN 351 N -4.46 2.38 -0.01 5.81 3.02 -0.78 -2.73 115.26 118.49 1aqm n ASN 351 Ca 0.03 -1.79 0.01 0.00 -0.03 0.00 0.00 54.58 52.80 1aqm n ASN 351 Cb 0.07 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 1aqm n ASN 351 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1aqm n THR 352 N 0.84 1.05 0.75 3.41 -2.24 -0.85 -4.75 114.28 112.48 1aqm n THR 352 Ca 0.17 -1.09 0.06 0.00 -2.27 0.00 0.00 64.05 60.91 1aqm n THR 352 Cb 0.48 0.44 0.33 0.00 -2.10 0.00 0.00 70.33 69.48 1aqm n THR 352 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqm n ALA 353 N -0.58 1.94 0.86 6.98 0.00 -1.13 -1.77 120.51 126.81 1aqm n ALA 353 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1aqm n ALA 353 Cb 0.30 -1.18 0.18 0.00 0.00 0.00 0.00 19.45 18.75 1aqm n ALA 353 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1aqm n ASP 354 N -0.96 2.96 -3.38 0.00 5.75 -1.26 -4.75 116.55 114.92 1aqm n ASP 354 Ca 0.08 -1.95 -0.16 0.00 -0.01 0.00 0.00 54.79 52.76 1aqm n ASP 354 Cb 0.04 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 39.97 1aqm n ASP 354 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1aqm s ASN 355 N -1.84 1.37 -0.12 -1.12 3.84 -0.73 -5.02 114.94 111.32 1aqm s ASN 355 Ca 0.32 -0.87 0.07 0.00 0.21 0.00 0.00 52.86 52.59 1aqm s ASN 355 Cb 0.21 0.61 0.40 0.00 -0.55 0.00 0.00 41.25 41.92 1aqm s ASN 355 CO 0.31 -0.36 1.13 0.79 -2.79 0.00 0.00 177.10 176.17 1aqm n TRP 356 N 5.10 1.04 -3.83 0.43 7.02 -1.26 -4.80 117.44 121.15 1aqm n TRP 356 Ca 0.01 -0.38 -0.28 0.00 -1.02 0.00 0.00 57.50 55.83 1aqm n TRP 356 Cb 0.47 -0.31 -0.03 0.00 -2.42 0.00 0.00 31.31 29.01 1aqm n TRP 356 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1aqm s ALA 357 N -1.86 3.92 -0.34 6.99 0.00 -1.26 -4.79 121.76 124.41 1aqm s ALA 357 Ca 0.27 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1aqm s ALA 357 Cb 0.21 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1aqm s ALA 357 CO 0.08 0.58 0.22 0.08 0.00 0.00 0.00 175.76 176.71 1aqm s VAL 358 N -1.73 5.05 0.16 0.00 1.01 -1.26 -4.41 120.40 119.22 1aqm s VAL 358 Ca 0.36 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.07 1aqm s VAL 358 Cb -0.12 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1aqm s VAL 358 CO 0.28 -0.02 -0.04 0.42 0.00 0.00 0.00 175.10 175.73 1aqm s THR 359 N 1.68 3.54 -1.33 3.92 -4.23 -0.56 -4.80 115.64 113.86 1aqm s THR 359 Ca 0.05 -1.42 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 1aqm s THR 359 Cb -0.18 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 70.93 1aqm s THR 359 CO 0.09 -0.05 0.49 0.59 -0.54 0.00 0.00 174.62 175.20 1aqm n ASN 360 N 0.13 -2.04 -4.74 3.99 3.02 -1.26 -0.28 115.26 114.08 1aqm n ASN 360 Ca -0.11 -1.11 -0.41 0.00 -0.03 0.00 0.00 54.58 52.91 1aqm n ASN 360 Cb 0.54 -2.61 -0.03 0.00 -0.61 0.00 0.00 39.78 37.08 1aqm n ASN 360 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1aqm s TRP 361 N -3.83 3.13 0.01 3.10 -0.11 -1.26 -4.38 118.94 115.59 1aqm s TRP 361 Ca 0.21 1.11 0.01 0.00 1.22 0.00 0.00 56.10 58.65 1aqm s TRP 361 Cb -0.09 -3.72 -0.01 0.00 -1.50 0.00 0.00 33.47 28.15 1aqm s TRP 361 CO 0.92 -2.32 -0.04 -0.46 -4.62 0.00 0.00 176.95 170.43 1aqm s TRP 362 N 0.08 0.36 0.19 5.86 -0.00 0.13 -5.01 118.94 120.56 1aqm s TRP 362 Ca 0.58 -0.18 -0.13 0.00 -0.00 0.00 0.00 56.10 56.37 1aqm s TRP 362 Cb -0.39 -0.23 0.01 0.00 -0.00 0.00 0.00 33.47 32.85 1aqm s TRP 362 CO 0.41 -0.04 0.42 0.16 -0.00 0.00 0.00 176.95 177.90 1aqm s ASP 363 N -0.48 -0.11 -0.32 5.86 1.47 -1.26 -1.10 116.67 120.73 1aqm s ASP 363 Ca -0.02 -0.71 0.10 0.00 1.18 0.00 0.00 52.55 53.09 1aqm s ASP 363 Cb -0.04 0.52 0.71 0.00 -0.34 0.00 0.00 42.92 43.77 1aqm s ASP 363 CO -0.00 -1.00 1.76 -0.46 0.68 0.00 0.00 175.17 176.15 1aqm n ASN 364 N -0.29 4.47 0.00 2.11 6.94 -0.76 -4.88 115.26 122.84 1aqm n ASN 364 Ca -0.08 -3.30 0.00 0.00 -0.02 0.00 0.00 54.58 51.19 1aqm n ASN 364 Cb 0.63 -0.73 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 1aqm n ASN 364 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1aqm n THR 365 N -0.37 0.00 0.00 5.53 -2.24 -1.26 -4.81 114.28 111.13 1aqm n THR 365 Ca 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1aqm n THR 365 Cb 1.35 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1aqm n THR 365 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aqm n ASN 366 N 0.00 0.00 -1.78 3.42 5.15 -1.26 -4.76 115.26 116.03 1aqm n ASN 366 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 1aqm n ASN 366 Cb 0.00 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 39.44 1aqm n ASN 366 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1aqm n ASN 367 N 0.00 3.20 -3.90 1.20 3.02 -1.26 -1.24 115.26 116.28 1aqm n ASN 367 Ca 0.00 -3.69 -0.26 0.00 -0.03 0.00 0.00 54.58 50.59 1aqm n ASN 367 Cb 0.00 -0.75 -0.17 0.00 -0.61 0.00 0.00 39.78 38.25 1aqm n ASN 367 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1aqm s GLN 368 N -3.29 1.42 0.08 3.52 -0.21 -1.26 -0.73 119.66 119.19 1aqm s GLN 368 Ca 0.52 -0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.70 1aqm s GLN 368 Cb 0.45 -1.50 -0.04 0.00 1.00 0.00 0.00 33.01 32.93 1aqm s GLN 368 CO 0.06 -0.25 -0.07 0.96 -2.12 0.00 0.00 175.29 173.87 1aqm s ILE 369 N 1.68 0.61 -0.23 1.08 -4.36 -0.92 -1.82 121.20 117.24 1aqm s ILE 369 Ca 0.04 -1.71 -0.19 0.00 -0.26 0.00 0.00 60.65 58.53 1aqm s ILE 369 Cb -0.13 -1.39 0.06 0.00 1.25 0.00 0.00 42.46 42.25 1aqm s ILE 369 CO -0.07 -0.76 0.60 -0.55 0.24 0.00 0.00 174.94 174.39 1aqm s SER 370 N -2.66 -0.67 0.19 4.36 0.15 -0.26 -1.27 113.70 113.55 1aqm s SER 370 Ca 0.06 1.23 -0.17 0.00 0.70 0.00 0.00 55.95 57.77 1aqm s SER 370 Cb 0.02 1.21 0.03 0.00 -1.71 0.00 0.00 66.02 65.56 1aqm s SER 370 CO -0.04 -0.21 0.50 0.72 1.20 0.00 0.00 173.24 175.41 1aqm s PHE 371 N 0.64 -0.10 0.51 3.44 -0.12 -1.00 -0.69 117.98 120.66 1aqm s PHE 371 Ca -0.03 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 56.63 1aqm s PHE 371 Cb -0.05 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 1aqm s PHE 371 CO -0.04 -0.89 0.06 0.20 -0.05 0.00 0.00 175.22 174.50 1aqm s GLY 372 N -2.87 2.89 -0.40 1.99 0.00 0.62 -1.57 107.32 107.97 1aqm s GLY 372 Ca 0.09 -0.66 0.11 0.00 0.00 0.00 0.00 44.72 44.25 1aqm s GLY 372 CO -0.03 -2.15 1.00 0.54 0.00 0.00 0.00 173.10 172.45 1aqm n ARG 373 N -1.31 2.31 0.00 2.90 5.12 -0.41 -1.50 116.66 123.77 1aqm n ARG 373 Ca -0.15 -3.96 0.00 0.00 -1.93 0.00 0.00 57.85 51.81 1aqm n ARG 373 Cb 0.67 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 1aqm n ARG 373 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aqm n GLY 374 N -0.22 0.73 0.30 -0.13 0.00 -1.26 -2.39 105.19 102.21 1aqm n GLY 374 Ca 0.25 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.50 1aqm n GLY 374 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1aqm n SER 375 N 0.30 0.86 0.04 1.61 3.41 -1.26 -3.79 113.62 114.79 1aqm n SER 375 Ca 0.00 -1.96 -0.01 0.00 -0.26 0.00 0.00 58.87 56.65 1aqm n SER 375 Cb 0.00 -0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1aqm n SER 375 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1aqm h SER 376 N 0.96 0.00 -5.69 4.04 0.02 -1.80 -3.43 113.55 107.65 1aqm h SER 376 Ca 0.00 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 61.29 1aqm h SER 376 Cb 0.22 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.63 1aqm h SER 376 CO 0.00 0.61 0.87 -0.83 -1.14 0.00 0.00 176.83 176.34 1aqm s GLY 377 N -4.77 -0.43 -0.01 -3.77 0.00 -1.25 -1.16 107.32 95.95 1aqm s GLY 377 Ca -0.02 0.85 -0.19 0.00 0.00 0.00 0.00 44.72 45.36 1aqm s GLY 377 CO 0.80 0.17 0.41 -1.58 0.00 0.00 0.00 173.10 172.91 1aqm s HIS 378 N -2.31 -0.30 0.21 1.90 2.46 -0.48 -1.28 115.29 115.48 1aqm s HIS 378 Ca 0.14 0.43 -0.10 0.00 0.47 0.00 0.00 55.06 56.01 1aqm s HIS 378 Cb 0.05 0.19 -0.01 0.00 -0.13 0.00 0.00 32.58 32.68 1aqm s HIS 378 CO -0.05 -0.48 0.35 0.00 -2.47 0.00 0.00 174.74 172.09 1aqm s MET 379 N -1.61 1.34 -0.20 2.88 0.23 -0.61 -1.16 119.30 120.18 1aqm s MET 379 Ca -0.11 -1.28 -0.24 0.00 -1.03 0.00 0.00 55.69 53.04 1aqm s MET 379 Cb -0.03 0.40 0.06 0.00 -1.53 0.00 0.00 34.83 33.74 1aqm s MET 379 CO 0.04 -0.52 0.65 0.00 -2.03 0.00 0.00 175.02 173.16 1aqm s ALA 380 N -4.02 -1.63 -0.06 3.16 0.00 -0.49 -2.37 121.76 116.35 1aqm s ALA 380 Ca 0.23 1.71 0.03 0.00 0.00 0.00 0.00 51.96 53.93 1aqm s ALA 380 Cb 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1aqm s ALA 380 CO 0.06 -0.32 -0.15 0.42 0.00 0.00 0.00 175.76 175.77 1aqm s ILE 381 N 0.01 1.34 -0.29 0.00 1.01 -0.39 -1.28 121.20 121.60 1aqm s ILE 381 Ca -0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.99 1aqm s ILE 381 Cb -0.04 -1.18 0.05 0.00 0.01 0.00 0.00 42.46 41.30 1aqm s ILE 381 CO 0.03 0.40 -0.03 0.21 0.00 0.00 0.00 174.94 175.54 1aqm s ASN 382 N 0.38 4.74 -0.19 3.58 2.47 -0.06 -2.16 114.94 123.71 1aqm s ASN 382 Ca -0.11 -1.28 0.15 0.00 0.42 0.00 0.00 52.86 52.05 1aqm s ASN 382 Cb -0.14 -1.67 0.42 0.00 -1.45 0.00 0.00 41.25 38.41 1aqm s ASN 382 CO 0.04 -0.23 1.30 1.17 -3.72 0.00 0.00 177.10 175.66 1aqm n LYS 383 N 4.58 1.93 -2.33 0.43 4.81 0.09 -0.72 118.16 126.94 1aqm n LYS 383 Ca -0.14 -2.87 -0.17 0.00 -0.87 0.00 0.00 58.31 54.26 1aqm n LYS 383 Cb 0.43 -1.68 0.08 0.00 0.02 0.00 0.00 35.03 33.88 1aqm n LYS 383 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1aqm n GLU 384 N -1.05 0.28 0.00 1.64 -0.58 -1.25 -4.79 120.64 114.89 1aqm n GLU 384 Ca 0.21 -2.30 0.12 0.00 -0.42 0.00 0.00 57.16 54.77 1aqm n GLU 384 Cb 0.80 -0.40 0.28 0.00 -0.57 0.00 0.00 31.44 31.54 1aqm n GLU 384 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1aqm n ASP 385 N -2.75 0.62 -4.43 1.62 8.00 -1.26 -3.80 116.55 114.54 1aqm n ASP 385 Ca 0.13 -0.40 -0.22 0.00 0.71 0.00 0.00 54.79 55.01 1aqm n ASP 385 Cb 0.48 0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.71 1aqm n ASP 385 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1aqm s SER 386 N -2.89 3.23 0.36 -2.24 1.04 -1.26 -4.75 113.70 107.19 1aqm s SER 386 Ca 0.14 -1.05 -0.28 0.00 0.48 0.00 0.00 55.95 55.24 1aqm s SER 386 Cb 0.18 -0.24 -0.12 0.00 0.10 0.00 0.00 66.02 65.94 1aqm s SER 386 CO 0.66 -0.06 1.39 0.41 0.98 0.00 0.00 173.24 176.62 1aqm n THR 387 N -0.55 1.99 -3.16 2.02 -1.04 -1.26 -4.39 114.28 107.88 1aqm n THR 387 Ca -0.06 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.03 1aqm n THR 387 Cb 0.61 -1.78 -0.07 0.00 -1.82 0.00 0.00 70.33 67.27 1aqm n THR 387 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1aqm s LEU 388 N -1.53 4.56 -0.10 -4.42 2.96 0.19 -4.90 118.68 115.44 1aqm s LEU 388 Ca 0.54 -0.38 0.15 0.00 -0.22 0.00 0.00 54.13 54.22 1aqm s LEU 388 Cb -0.52 -2.65 0.23 0.00 0.50 0.00 0.00 46.19 43.75 1aqm s LEU 388 CO 0.63 -0.72 1.12 0.35 -1.32 0.00 0.00 176.35 176.41 1aqm n THR 389 N 5.74 1.69 -1.98 3.68 -2.24 -1.26 -1.74 114.28 118.17 1aqm n THR 389 Ca -0.03 -1.99 -0.34 0.00 -2.27 0.00 0.00 64.05 59.42 1aqm n THR 389 Cb 0.48 -0.09 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1aqm n THR 389 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aqm s ALA 390 N -2.47 2.57 -0.24 6.98 0.00 -1.26 -4.39 121.76 122.95 1aqm s ALA 390 Ca 0.25 0.69 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1aqm s ALA 390 Cb 0.22 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 1aqm s ALA 390 CO 0.02 -1.05 0.41 0.99 0.00 0.00 0.00 175.76 176.13 1aqm s THR 391 N -2.06 5.17 0.14 0.00 2.01 -1.26 -1.73 115.64 117.90 1aqm s THR 391 Ca 0.70 0.68 0.10 0.00 0.31 0.00 0.00 61.69 63.48 1aqm s THR 391 Cb -0.22 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1aqm s THR 391 CO 0.35 0.19 -0.20 0.68 -0.69 0.00 0.00 174.62 174.94 1aqm s VAL 392 N 1.77 2.67 -0.02 3.82 -7.23 -0.59 -4.95 120.40 115.87 1aqm s VAL 392 Ca 0.18 -1.65 -0.18 0.00 -1.81 0.00 0.00 61.98 58.51 1aqm s VAL 392 Cb -0.15 -2.23 -0.05 0.00 0.56 0.00 0.00 36.38 34.50 1aqm s VAL 392 CO 0.09 0.05 0.51 -1.58 -0.31 0.00 0.00 175.10 173.85 1aqm s GLN 393 N -2.26 4.20 0.38 4.82 2.00 -1.26 -1.52 119.66 126.02 1aqm s GLN 393 Ca 0.18 0.57 0.04 0.00 -2.00 0.00 0.00 55.36 54.14 1aqm s GLN 393 Cb -0.10 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.35 1aqm s GLN 393 CO 0.10 0.44 0.08 0.95 -0.50 0.00 0.00 175.29 176.35 1aqm s THR 394 N -0.34 0.98 -0.40 -0.34 -4.23 -0.70 -4.90 115.64 105.72 1aqm s THR 394 Ca 0.27 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.93 1aqm s THR 394 Cb -0.17 -2.57 0.47 0.00 1.34 0.00 0.00 72.50 71.56 1aqm s THR 394 CO 0.14 0.00 1.38 0.47 -0.54 0.00 0.00 174.62 176.07 1aqm n ASP 395 N -0.98 3.63 -4.87 3.99 8.00 -1.26 -4.73 116.55 120.32 1aqm n ASP 395 Ca -0.05 -2.72 -0.31 0.00 0.71 0.00 0.00 54.79 52.41 1aqm n ASP 395 Cb 0.66 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 1aqm n ASP 395 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1aqm s MET 396 N -2.30 3.82 0.34 -1.24 -1.94 -1.26 -4.17 119.30 112.55 1aqm s MET 396 Ca 0.37 0.34 -0.29 0.00 -1.71 0.00 0.00 55.69 54.40 1aqm s MET 396 Cb 0.28 -2.58 -0.11 0.00 2.01 0.00 0.00 34.83 34.44 1aqm s MET 396 CO 0.11 0.24 1.44 0.00 -0.01 0.00 0.00 175.02 176.79 1aqm s ALA 397 N -1.94 3.58 0.65 3.03 0.00 -1.26 -4.59 121.76 121.22 1aqm s ALA 397 Ca 0.49 1.45 -0.17 0.00 0.00 0.00 0.00 51.96 53.72 1aqm s ALA 397 Cb -0.11 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 1aqm s ALA 397 CO 0.22 -0.88 1.22 -1.54 0.00 0.00 0.00 175.76 174.78 1aqm s SER 398 N -0.12 4.78 0.00 0.00 1.04 -1.26 -4.81 113.70 113.32 1aqm s SER 398 Ca 0.53 2.40 0.00 0.00 0.48 0.00 0.00 55.95 59.36 1aqm s SER 398 Cb -0.44 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.08 1aqm s SER 398 CO 0.56 -1.87 0.00 0.61 0.98 0.00 0.00 173.24 173.52 1aqm n GLY 399 N 0.48 0.39 3.60 7.32 0.00 -0.62 -4.95 105.19 111.41 1aqm n GLY 399 Ca 0.14 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 1aqm n GLY 399 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqm s GLN 400 N -2.00 3.22 0.04 1.61 -1.52 -1.26 -0.98 119.66 118.77 1aqm s GLN 400 Ca 0.00 -0.46 0.03 0.00 -1.95 0.00 0.00 55.36 52.98 1aqm s GLN 400 Cb 0.00 -2.82 -0.02 0.00 -0.22 0.00 0.00 33.01 29.95 1aqm s GLN 400 CO 0.00 0.52 -0.10 0.71 -0.25 0.00 0.00 175.29 176.18 1aqm s TYR 401 N -0.40 0.83 0.06 0.91 1.51 0.26 -0.66 117.35 119.87 1aqm s TYR 401 Ca 0.07 -0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 1aqm s TYR 401 Cb -0.12 -0.50 -0.05 0.00 -0.11 0.00 0.00 41.96 41.18 1aqm s TYR 401 CO 0.02 -0.02 0.92 0.00 -1.11 0.00 0.00 175.55 175.36 1aqm s ASN 403 N 0.28 5.69 0.11 0.00 3.84 -0.73 -4.60 114.94 119.53 1aqm s ASN 403 Ca 0.46 0.18 0.11 0.00 0.21 0.00 0.00 52.86 53.83 1aqm s ASN 403 Cb -0.22 -2.54 0.55 0.00 -0.55 0.00 0.00 41.25 38.49 1aqm s ASN 403 CO 0.28 -2.08 1.36 1.33 -2.79 0.00 0.00 177.10 175.19 1aqm n VAL 404 N 6.94 1.40 0.26 -5.21 0.24 -0.45 -1.84 118.33 119.68 1aqm n VAL 404 Ca 0.15 0.47 0.13 0.00 -2.04 0.00 0.00 64.34 63.05 1aqm n VAL 404 Cb 0.50 -1.41 0.30 0.00 -1.47 0.00 0.00 33.84 31.77 1aqm n VAL 404 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1aqm h LEU 405 N 0.00 0.00 -0.94 1.34 4.07 -1.84 -3.34 115.31 114.59 1aqm h LEU 405 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1aqm h LEU 405 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1aqm h LEU 405 CO 0.00 0.00 -0.00 0.29 -1.08 0.00 0.00 178.44 177.65 1aqm n LYS 406 N -3.03 -0.35 -3.15 1.13 5.02 -0.76 -3.53 118.16 113.48 1aqm n LYS 406 Ca 0.03 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1aqm n LYS 406 Cb 0.47 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.51 1aqm n LYS 406 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aqm n GLY 407 N 0.10 -1.27 3.32 0.72 0.00 -1.06 -4.14 105.19 102.86 1aqm n GLY 407 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1aqm n GLY 407 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqm s GLU 408 N -0.41 1.13 0.23 1.61 -1.05 -1.26 -4.11 118.70 114.84 1aqm s GLU 408 Ca 0.00 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.35 1aqm s GLU 408 Cb 0.00 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 33.97 1aqm s GLU 408 CO 0.00 -0.41 1.10 -1.17 0.95 0.00 0.00 175.26 175.74 1aqm s LEU 409 N -2.97 4.52 0.78 1.83 2.96 -1.26 -1.59 118.68 122.96 1aqm s LEU 409 Ca 0.17 2.20 -0.11 0.00 -0.22 0.00 0.00 54.13 56.17 1aqm s LEU 409 Cb 0.04 -3.62 0.06 0.00 0.50 0.00 0.00 46.19 43.17 1aqm s LEU 409 CO -0.00 -0.18 1.08 -0.94 -1.32 0.00 0.00 176.35 174.99 1aqm s SER 410 N -0.53 4.52 0.32 3.68 1.04 0.11 -4.91 113.70 117.93 1aqm s SER 410 Ca 0.47 1.59 0.08 0.00 0.48 0.00 0.00 55.95 58.57 1aqm s SER 410 Cb -0.31 -2.34 0.82 0.00 0.10 0.00 0.00 66.02 64.30 1aqm s SER 410 CO 0.38 -1.99 1.77 0.00 0.98 0.00 0.00 173.24 174.38 1aqm h ALA 411 N -1.10 1.78 -0.39 5.32 0.00 -1.96 0.20 119.26 123.10 1aqm h ALA 411 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1aqm h ALA 411 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1aqm h ALA 411 CO 0.55 -0.17 0.00 -0.40 0.00 0.00 0.00 179.25 179.23 1aqm n ASP 412 N -4.76 2.28 -2.12 0.00 5.75 -1.26 -4.93 116.55 111.52 1aqm n ASP 412 Ca 0.24 -1.95 -0.17 0.00 -0.01 0.00 0.00 54.79 52.90 1aqm n ASP 412 Cb 0.64 -0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 1aqm n ASP 412 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aqm n ALA 413 N 0.74 -0.55 0.37 2.12 0.00 0.06 -4.86 120.51 118.39 1aqm n ALA 413 Ca 0.15 0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.88 1aqm n ALA 413 Cb 0.37 -1.83 -0.04 0.00 0.00 0.00 0.00 19.45 17.96 1aqm n ALA 413 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aqm n LYS 414 N -2.66 0.42 -3.70 0.00 4.01 -1.26 -1.11 118.16 113.86 1aqm n LYS 414 Ca -0.19 -0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.48 1aqm n LYS 414 Cb 0.62 -1.61 -0.04 0.00 -0.51 0.00 0.00 35.03 33.49 1aqm n LYS 414 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1aqm s SER 415 N -4.27 -0.29 0.30 4.39 1.04 -1.26 -4.86 113.70 108.75 1aqm s SER 415 Ca 0.00 -0.42 0.09 0.00 0.48 0.00 0.00 55.95 56.10 1aqm s SER 415 Cb 0.14 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 1aqm s SER 415 CO 0.83 -1.04 0.10 0.00 0.98 0.00 0.00 173.24 174.11 1aqm n SER 417 N -1.06 0.86 -0.74 0.00 3.41 -0.62 -4.93 113.62 110.53 1aqm n SER 417 Ca -0.05 -0.78 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 1aqm n SER 417 Cb 0.60 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 1aqm n SER 417 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqm n GLY 418 N 1.50 5.77 3.73 5.00 0.00 -1.26 -4.84 105.19 115.09 1aqm n GLY 418 Ca 0.04 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 1aqm n GLY 418 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqm s GLU 419 N -0.32 2.37 -0.10 1.61 -1.05 -1.26 -4.84 118.70 115.11 1aqm s GLU 419 Ca 0.00 1.71 -0.03 0.00 -0.15 0.00 0.00 54.97 56.51 1aqm s GLU 419 Cb 0.00 -1.87 -0.03 0.00 -0.44 0.00 0.00 34.13 31.79 1aqm s GLU 419 CO 0.00 -1.65 0.02 0.08 0.95 0.00 0.00 175.26 174.66 1aqm s VAL 420 N -1.98 4.43 -0.10 1.83 1.01 -1.26 -1.78 120.40 122.56 1aqm s VAL 420 Ca 0.74 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1aqm s VAL 420 Cb -0.28 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1aqm s VAL 420 CO 0.43 0.60 -0.10 -0.63 0.00 0.00 0.00 175.10 175.39 1aqm s ILE 421 N -0.78 3.38 -0.19 2.22 -1.09 0.81 -4.91 121.20 120.63 1aqm s ILE 421 Ca 0.12 -0.57 -0.06 0.00 -2.23 0.00 0.00 60.65 57.91 1aqm s ILE 421 Cb -0.12 -2.40 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1aqm s ILE 421 CO 0.02 0.55 0.03 -0.89 -1.23 0.00 0.00 174.94 173.42 1aqm s THR 422 N -0.19 4.30 -0.31 2.92 2.01 -1.26 -0.58 115.64 122.53 1aqm s THR 422 Ca 0.01 -0.20 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 1aqm s THR 422 Cb -0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1aqm s THR 422 CO 0.03 0.43 0.26 -0.69 -0.69 0.00 0.00 174.62 173.97 1aqm s VAL 423 N 0.78 5.26 0.97 3.82 1.01 -0.15 -4.52 120.40 127.57 1aqm s VAL 423 Ca 0.02 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1aqm s VAL 423 Cb -0.14 -3.67 0.17 0.00 0.00 0.00 0.00 36.38 32.74 1aqm s VAL 423 CO 0.02 0.08 1.09 0.20 0.00 0.00 0.00 175.10 176.49 1aqm s ASN 424 N 1.73 2.72 0.57 3.32 0.01 0.32 -1.59 114.94 122.02 1aqm s ASN 424 Ca 0.09 1.63 0.27 0.00 -0.71 0.00 0.00 52.86 54.14 1aqm s ASN 424 Cb -0.17 -2.28 1.53 0.00 0.41 0.00 0.00 41.25 40.74 1aqm s ASN 424 CO 0.11 -3.13 2.04 0.77 -1.51 0.00 0.00 177.10 175.37 1aqm h SER 425 N -1.89 0.00 -0.54 -1.22 4.64 -1.97 -0.30 113.55 112.28 1aqm h SER 425 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1aqm h SER 425 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1aqm h SER 425 CO 0.51 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 1aqm n ASP 426 N -3.99 4.04 0.00 4.97 5.75 -1.26 -4.86 116.55 121.20 1aqm n ASP 426 Ca 0.05 -2.38 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1aqm n ASP 426 Cb 0.45 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1aqm n ASP 426 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aqm n GLY 427 N 0.99 1.66 3.89 6.12 0.00 -0.12 -4.86 105.19 112.87 1aqm n GLY 427 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1aqm n GLY 427 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aqm s THR 428 N -3.48 4.55 -0.06 2.61 -4.23 -1.26 -1.72 115.64 112.05 1aqm s THR 428 Ca 0.00 0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.94 1aqm s THR 428 Cb 0.00 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1aqm s THR 428 CO 0.00 -0.87 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.48 1aqm s ILE 429 N -2.97 0.96 -0.70 2.99 1.01 -0.57 -0.52 121.20 121.40 1aqm s ILE 429 Ca 0.52 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1aqm s ILE 429 Cb -0.11 -0.90 0.13 0.00 0.01 0.00 0.00 42.46 41.60 1aqm s ILE 429 CO 0.48 0.32 0.81 0.20 0.00 0.00 0.00 174.94 176.75 1aqm s ASN 430 N 0.72 6.37 0.77 3.58 -0.87 -1.26 -1.54 114.94 122.71 1aqm s ASN 430 Ca -0.14 -1.74 -0.13 0.00 -1.57 0.00 0.00 52.86 49.28 1aqm s ASN 430 Cb -0.15 -2.31 0.06 0.00 -0.02 0.00 0.00 41.25 38.83 1aqm s ASN 430 CO 0.03 -1.03 1.17 -0.76 -2.57 0.00 0.00 177.10 173.93 1aqm s LEU 431 N 2.34 3.17 -0.47 0.60 1.43 -0.71 -5.00 118.68 120.04 1aqm s LEU 431 Ca 0.17 2.20 0.06 0.00 -1.03 0.00 0.00 54.13 55.54 1aqm s LEU 431 Cb -0.18 -4.57 0.23 0.00 0.03 0.00 0.00 46.19 41.70 1aqm s LEU 431 CO 0.01 -2.36 0.77 -3.20 0.23 0.00 0.00 176.35 171.79 1aqm n ASN 432 N -3.16 -2.37 -4.25 2.29 5.15 -1.13 -4.18 115.26 107.61 1aqm n ASN 432 Ca 0.12 -3.09 -0.34 0.00 -0.60 0.00 0.00 54.58 50.67 1aqm n ASN 432 Cb 0.51 1.29 -0.15 0.00 -0.53 0.00 0.00 39.78 40.90 1aqm n ASN 432 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1aqm s ILE 433 N 0.38 2.90 1.05 -1.44 1.01 -0.71 -4.95 121.20 119.44 1aqm s ILE 433 Ca 0.32 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 1aqm s ILE 433 Cb 0.17 -2.29 0.22 0.00 0.01 0.00 0.00 42.46 40.57 1aqm s ILE 433 CO -0.19 0.47 1.07 -0.83 0.00 0.00 0.00 174.94 175.47 1aqm s GLY 434 N 1.37 1.56 0.27 6.18 0.00 -1.26 -0.64 107.32 114.80 1aqm s GLY 434 Ca 0.05 -0.30 -0.30 0.00 0.00 0.00 0.00 44.72 44.17 1aqm s GLY 434 CO -0.06 0.34 1.24 0.00 0.00 0.00 0.00 173.10 174.62 1aqm n ALA 435 N -4.40 0.57 -3.73 3.20 0.00 -1.26 -2.88 120.51 112.01 1aqm n ALA 435 Ca 0.04 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.64 1aqm n ALA 435 Cb 0.56 -2.17 0.02 0.00 0.00 0.00 0.00 19.45 17.87 1aqm n ALA 435 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1aqm n TRP 436 N 0.96 -1.88 -4.13 0.00 7.02 0.10 -5.00 117.44 114.51 1aqm n TRP 436 Ca 0.09 0.73 -0.13 0.00 -1.02 0.00 0.00 57.50 57.17 1aqm n TRP 436 Cb 0.32 -4.00 -0.07 0.00 -2.42 0.00 0.00 31.31 25.14 1aqm n TRP 436 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1aqm s ASP 437 N -4.10 0.51 0.28 -0.99 -1.08 -0.90 -5.00 116.67 105.38 1aqm s ASP 437 Ca 0.14 -1.35 -0.15 0.00 -0.52 0.00 0.00 52.55 50.67 1aqm s ASP 437 Cb -0.04 0.53 0.01 0.00 -1.46 0.00 0.00 42.92 41.96 1aqm s ASP 437 CO 0.84 -1.06 0.60 0.00 0.52 0.00 0.00 175.17 176.06 1aqm s ALA 438 N -3.74 -0.56 0.00 3.66 0.00 -1.26 -0.88 121.76 118.98 1aqm s ALA 438 Ca 0.33 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.50 1aqm s ALA 438 Cb 0.03 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1aqm s ALA 438 CO 0.16 -0.93 0.13 0.00 0.00 0.00 0.00 175.76 175.11 1aqm s MET 439 N -3.69 0.46 -0.14 0.00 0.23 -0.40 -4.96 119.30 110.80 1aqm s MET 439 Ca 0.18 -0.40 -0.08 0.00 -1.03 0.00 0.00 55.69 54.37 1aqm s MET 439 Cb -0.03 0.19 0.05 0.00 -1.53 0.00 0.00 34.83 33.51 1aqm s MET 439 CO 0.10 -0.11 0.34 0.00 -2.03 0.00 0.00 175.02 173.32 1aqm s ALA 440 N -1.35 -0.85 0.06 3.16 0.00 -1.26 -1.40 121.76 120.12 1aqm s ALA 440 Ca -0.14 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1aqm s ALA 440 Cb -0.08 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1aqm s ALA 440 CO 0.01 -0.23 -0.13 0.96 0.00 0.00 0.00 175.76 176.37 1aqm s ILE 441 N 1.30 0.97 0.05 0.00 -4.36 -0.31 -1.33 121.20 117.52 1aqm s ILE 441 Ca -0.09 -1.24 -0.03 0.00 -0.26 0.00 0.00 60.65 59.03 1aqm s ILE 441 Cb -0.09 -0.96 -0.03 0.00 1.25 0.00 0.00 42.46 42.64 1aqm s ILE 441 CO -0.11 -0.26 0.02 -1.38 0.24 0.00 0.00 174.94 173.46 1aqm s HIS 442 N -1.29 0.38 0.63 1.37 -3.43 -1.26 -1.38 115.29 110.31 1aqm s HIS 442 Ca -0.04 -0.83 0.30 0.00 -0.80 0.00 0.00 55.06 53.70 1aqm s HIS 442 Cb -0.10 -0.27 1.64 0.00 -1.43 0.00 0.00 32.58 32.42 1aqm s HIS 442 CO 0.02 -0.37 1.98 1.57 -2.00 0.00 0.00 174.74 175.93 1aqm h LYS 443 N 3.39 0.00 -0.64 -0.38 2.10 -1.40 -1.91 116.57 117.74 1aqm h LYS 443 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1aqm h LYS 443 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1aqm h LYS 443 CO 0.58 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.12 1aqm n ASN 444 N -3.33 4.76 -2.64 7.07 3.02 -1.26 -4.19 115.26 118.69 1aqm n ASN 444 Ca 0.02 -2.62 -0.10 0.00 -0.03 0.00 0.00 54.58 51.85 1aqm n ASN 444 Cb 0.43 -0.61 0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1aqm n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1aqm n ALA 445 N 0.77 3.52 -2.80 5.41 0.00 -0.72 -5.01 120.51 121.67 1aqm n ALA 445 Ca 0.24 -3.23 -0.36 0.00 0.00 0.00 0.00 53.44 50.09 1aqm n ALA 445 Cb 0.95 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 19.51 1aqm n ALA 445 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aqm s LYS 446 N -3.43 3.46 0.32 0.00 2.20 -1.26 -1.83 119.74 119.20 1aqm s LYS 446 Ca 0.32 -0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.39 1aqm s LYS 446 Cb 0.40 -3.09 -0.09 0.00 -1.51 0.00 0.00 37.83 33.54 1aqm s LYS 446 CO -0.02 0.62 1.09 -0.51 -0.36 0.00 0.00 175.35 176.17 1aqm s LEU 447 N -0.61 4.41 0.00 5.43 1.43 0.16 -4.97 118.68 124.53 1aqm s LEU 447 Ca 0.12 2.20 0.27 0.00 -1.03 0.00 0.00 54.13 55.69 1aqm s LEU 447 Cb -0.12 -3.82 0.90 0.00 0.03 0.00 0.00 46.19 43.18 1aqm s LEU 447 CO 0.02 -0.28 1.66 -3.20 0.23 0.00 0.00 176.35 174.78