#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7d s HIS 56 N 0.00 3.74 0.00 5.64 3.76 -1.26 -4.70 115.29 122.47 3d7d s HIS 56 Ca 0.00 -2.57 0.00 0.00 -0.15 0.00 0.00 55.06 52.34 3d7d s HIS 56 Cb 0.00 -3.48 -0.00 0.00 1.11 0.00 0.00 32.58 30.21 3d7d s HIS 56 CO 0.00 -0.88 0.00 0.27 -0.85 0.00 0.00 174.74 173.29 3d7d n ASN 57 N 3.24 0.87 -0.13 1.40 0.23 -1.26 -5.01 115.26 114.61 3d7d n ASN 57 Ca 0.15 -1.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.11 3d7d n ASN 57 Cb 0.41 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.18 3d7d n ASN 57 CO 0.00 0.00 0.00 -0.03 -0.93 0.00 0.00 177.26 176.30 3d7d h MET 58 N 0.00 0.89 -0.82 -3.83 1.85 -1.99 -2.44 114.93 108.59 3d7d h MET 58 Ca -0.00 -0.33 0.10 0.00 -0.61 0.00 0.00 59.70 58.86 3d7d h MET 58 Cb 0.00 -0.06 -0.08 0.00 0.43 0.00 0.00 31.60 31.90 3d7d h MET 58 CO 0.00 0.97 0.46 -0.22 -0.40 0.00 0.00 176.91 177.72 3d7d h LYS 59 N 0.79 0.73 -0.47 0.39 3.64 -1.96 0.11 116.57 119.80 3d7d h LYS 59 Ca 0.12 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.48 3d7d h LYS 59 Cb 0.67 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3d7d h LYS 59 CO 0.05 0.48 0.27 0.00 -2.27 0.00 0.00 179.45 177.98 3d7d h ALA 60 N 1.47 0.60 -0.09 5.00 0.00 -1.73 0.70 119.26 125.21 3d7d h ALA 60 Ca 0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 3d7d h ALA 60 Cb 0.40 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3d7d h ALA 60 CO -0.26 -0.05 0.05 0.35 0.00 0.00 0.00 179.25 179.33 3d7d h PHE 61 N 0.54 0.13 -0.51 0.00 3.57 -0.86 -2.93 116.94 116.88 3d7d h PHE 61 Ca 0.19 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 3d7d h PHE 61 Cb 0.04 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3d7d h PHE 61 CO -0.08 0.19 0.01 -0.07 -2.23 0.00 0.00 178.31 176.13 3d7d h LEU 62 N 0.03 0.81 -1.11 0.59 3.38 -0.55 -2.87 115.31 115.61 3d7d h LEU 62 Ca 0.03 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3d7d h LEU 62 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3d7d h LEU 62 CO -0.00 0.87 -0.13 0.44 0.09 0.00 0.00 178.44 179.71 3d7d h ASP 63 N 0.79 0.00 1.37 -0.43 3.32 -0.80 -2.37 116.42 118.31 3d7d h ASP 63 Ca 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3d7d h ASP 63 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 3d7d h ASP 63 CO 0.02 0.13 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.47 3d7d h GLU 64 N 0.00 0.00 -6.69 3.56 4.57 -1.32 -3.44 114.58 111.26 3d7d h GLU 64 Ca -0.00 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.66 3d7d h GLU 64 Cb 0.70 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 29.33 3d7d h GLU 64 CO 0.02 0.12 0.66 -0.51 -1.18 0.00 0.00 179.01 178.12 3d7d s LEU 65 N -6.38 4.41 -0.07 1.64 1.43 -0.89 -4.91 118.68 113.91 3d7d s LEU 65 Ca 0.03 2.43 0.02 0.00 -1.03 0.00 0.00 54.13 55.58 3d7d s LEU 65 Cb 0.08 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3d7d s LEU 65 CO 0.63 -0.54 -0.10 -0.54 0.23 0.00 0.00 176.35 176.04 3d7d s LYS 66 N -0.20 1.50 0.30 1.70 -0.14 -1.26 -5.02 119.74 116.62 3d7d s LYS 66 Ca 0.57 -0.32 0.04 0.00 -1.36 0.00 0.00 55.97 54.89 3d7d s LYS 66 Cb -0.37 -1.33 0.68 0.00 -1.68 0.00 0.00 37.83 35.13 3d7d s LYS 66 CO 0.39 -0.05 1.80 0.00 -0.76 0.00 0.00 175.35 176.73 3d7d h ALA 67 N 7.23 1.62 -0.44 5.17 0.00 -1.91 -1.85 119.26 129.08 3d7d h ALA 67 Ca -0.32 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3d7d h ALA 67 Cb 1.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3d7d h ALA 67 CO 0.46 0.05 0.11 1.05 0.00 0.00 0.00 179.25 180.92 3d7d h GLU 68 N 0.85 0.66 -0.22 0.00 4.11 -1.91 -0.88 114.58 117.18 3d7d h GLU 68 Ca 0.55 -0.12 -0.17 0.00 0.07 0.00 0.00 59.36 59.69 3d7d h GLU 68 Cb 0.76 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3d7d h GLU 68 CO -0.34 0.60 -0.54 -0.91 0.07 0.00 0.00 179.01 177.89 3d7d h ASN 69 N 0.65 0.86 -0.64 3.06 2.35 -1.78 -1.69 115.58 118.39 3d7d h ASN 69 Ca 0.15 -0.56 0.03 0.00 -0.55 0.00 0.00 56.30 55.37 3d7d h ASN 69 Cb 0.24 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3d7d h ASN 69 CO -0.00 1.27 0.38 0.40 -1.65 0.00 0.00 177.43 177.83 3d7d h ILE 70 N 0.48 1.06 -0.18 2.81 2.04 -1.08 -0.67 117.51 121.97 3d7d h ILE 70 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3d7d h ILE 70 Cb 1.15 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3d7d h ILE 70 CO 0.12 0.14 0.11 0.50 0.00 0.00 0.00 178.15 179.02 3d7d h LYS 71 N 0.75 0.23 -0.83 2.37 3.64 -1.07 -0.41 116.57 121.25 3d7d h LYS 71 Ca 0.26 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3d7d h LYS 71 Cb 0.05 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3d7d h LYS 71 CO -0.12 0.15 0.53 0.87 -2.27 0.00 0.00 179.45 178.61 3d7d h LYS 72 N 0.23 1.00 -0.30 1.90 1.57 -0.95 -1.29 116.57 118.72 3d7d h LYS 72 Ca 0.07 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 3d7d h LYS 72 Cb -0.02 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 3d7d h LYS 72 CO -0.02 0.66 -0.47 0.74 -0.57 0.00 0.00 179.45 179.79 3d7d h PHE 73 N 1.03 0.98 -0.30 -1.35 0.04 -0.78 -1.98 116.94 114.58 3d7d h PHE 73 Ca 0.33 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3d7d h PHE 73 Cb 0.02 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 3d7d h PHE 73 CO -0.03 1.11 0.16 1.25 -0.60 0.00 0.00 178.31 180.20 3d7d h LEU 74 N 0.64 0.38 -0.51 1.54 5.85 -0.71 -0.09 115.31 122.41 3d7d h LEU 74 Ca 0.04 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3d7d h LEU 74 Cb 1.04 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 3d7d h LEU 74 CO 0.10 0.38 0.20 0.22 -0.34 0.00 0.00 178.44 179.00 3d7d h TYR 75 N 0.36 0.36 -0.22 1.25 3.20 -1.19 -2.41 116.97 118.32 3d7d h TYR 75 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3d7d h TYR 75 Cb 0.09 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 3d7d h TYR 75 CO -0.03 0.13 0.09 -0.97 -1.64 0.00 0.00 178.16 175.75 3d7d h ASN 76 N 0.39 0.27 0.05 -2.11 -0.73 -0.54 -2.80 115.58 110.11 3d7d h ASN 76 Ca 0.24 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.39 3d7d h ASN 76 Cb 0.24 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.76 3d7d h ASN 76 CO -0.23 0.25 -0.09 0.49 -0.37 0.00 0.00 177.43 177.48 3d7d n PHE 77 N -4.45 0.00 -0.85 0.67 3.72 -0.13 -4.37 117.46 112.06 3d7d n PHE 77 Ca 0.00 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.44 3d7d n PHE 77 Cb 0.12 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.68 3d7d n PHE 77 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3d7d n THR 78 N 0.08 1.06 0.09 4.37 -2.24 -1.06 -4.75 114.28 111.84 3d7d n THR 78 Ca 0.16 -1.21 -0.04 0.00 -2.27 0.00 0.00 64.05 60.69 3d7d n THR 78 Cb 0.39 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.82 3d7d n THR 78 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3d7d h GLN 79 N 0.00 0.00 -4.83 -0.78 1.08 -1.76 -3.43 115.11 105.40 3d7d h GLN 79 Ca 0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 3d7d h GLN 79 Cb 0.90 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.17 3d7d h GLN 79 CO 0.00 0.81 -0.71 0.96 -0.95 0.00 0.00 178.83 178.94 3d7d s ILE 80 N -2.80 0.88 0.55 2.54 -4.36 -1.26 -5.10 121.20 111.64 3d7d s ILE 80 Ca 0.02 -1.91 -0.20 0.00 -0.26 0.00 0.00 60.65 58.30 3d7d s ILE 80 Cb 0.09 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 3d7d s ILE 80 CO 0.79 -0.77 1.18 -2.84 0.24 0.00 0.00 174.94 173.54 3d7d s PRO 81 N -3.59 3.27 -0.46 0.37 0.02 -1.26 -4.71 135.00 128.64 3d7d s PRO 81 Ca 0.12 1.76 0.08 0.00 0.02 0.00 0.00 61.00 62.98 3d7d s PRO 81 Cb 0.03 -2.06 0.38 0.00 0.02 0.00 0.00 34.50 32.87 3d7d s PRO 81 CO -0.02 -0.95 0.96 0.72 -0.33 0.00 0.00 177.00 177.38 3d7d n HIS 82 N -1.25 2.76 -2.02 6.54 8.25 -1.10 -4.66 115.22 123.74 3d7d n HIS 82 Ca 0.12 -3.52 -0.41 0.00 -0.26 0.00 0.00 57.72 53.65 3d7d n HIS 82 Cb 0.50 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 3d7d n HIS 82 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3d7d s LEU 83 N -3.26 4.39 0.30 2.41 2.96 -1.22 -1.43 118.68 122.83 3d7d s LEU 83 Ca 0.44 2.74 -0.29 0.00 -0.22 0.00 0.00 54.13 56.80 3d7d s LEU 83 Cb 0.36 -3.64 -0.13 0.00 0.50 0.00 0.00 46.19 43.28 3d7d s LEU 83 CO -0.12 -0.67 1.31 0.00 -1.32 0.00 0.00 176.35 175.55 3d7d n ALA 84 N 1.44 1.12 -0.76 5.97 0.00 -1.26 -2.16 120.51 124.86 3d7d n ALA 84 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3d7d n ALA 84 Cb 0.41 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3d7d n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d7d n GLY 85 N 1.27 0.85 3.98 0.00 0.00 -1.26 -5.03 105.19 105.00 3d7d n GLY 85 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3d7d n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d7d s THR 86 N -3.32 4.66 0.27 2.61 -4.23 -0.92 -4.85 115.64 109.86 3d7d s THR 86 Ca 0.00 -0.93 -0.03 0.00 -1.18 0.00 0.00 61.69 59.56 3d7d s THR 86 Cb 0.00 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.37 3d7d s THR 86 CO 0.00 -0.27 1.84 -0.08 -0.54 0.00 0.00 174.62 175.56 3d7d h GLU 87 N 0.97 0.94 -0.75 3.99 4.57 -1.97 -2.17 114.58 120.17 3d7d h GLU 87 Ca -0.49 -0.17 0.05 0.00 -1.18 0.00 0.00 59.36 57.57 3d7d h GLU 87 Cb 1.24 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 3d7d h GLU 87 CO 0.57 0.79 0.49 1.96 -1.18 0.00 0.00 179.01 181.64 3d7d h GLN 88 N 0.92 0.83 0.02 1.92 4.20 -1.91 0.19 115.11 121.28 3d7d h GLN 88 Ca 0.21 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 58.66 3d7d h GLN 88 Cb 0.22 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3d7d h GLN 88 CO -0.01 0.55 -0.96 -0.97 -0.67 0.00 0.00 178.83 176.77 3d7d h ASN 89 N 0.86 0.17 -0.41 1.46 -0.00 -1.63 -1.76 115.58 114.27 3d7d h ASN 89 Ca 0.31 -0.16 -0.08 0.00 -0.00 0.00 0.00 56.30 56.38 3d7d h ASN 89 Cb 0.14 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.39 3d7d h ASN 89 CO -0.10 1.03 -0.05 0.15 -0.00 0.00 0.00 177.43 178.46 3d7d h PHE 90 N 0.05 0.83 -0.94 0.67 3.57 -0.99 -1.10 116.94 119.03 3d7d h PHE 90 Ca -0.04 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3d7d h PHE 90 Cb 1.64 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 40.12 3d7d h PHE 90 CO 0.02 0.85 0.60 1.96 -2.23 0.00 0.00 178.31 179.51 3d7d h GLN 91 N 0.57 1.26 -0.52 1.11 1.08 -0.50 -1.23 115.11 116.87 3d7d h GLN 91 Ca 0.11 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 3d7d h GLN 91 Cb 0.55 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3d7d h GLN 91 CO 0.03 0.85 -0.01 1.25 -0.95 0.00 0.00 178.83 180.01 3d7d h LEU 92 N 1.29 0.91 -0.53 1.46 5.85 -1.20 -0.79 115.31 122.29 3d7d h LEU 92 Ca 0.34 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3d7d h LEU 92 Cb -0.10 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 40.59 3d7d h LEU 92 CO -0.07 1.00 -0.02 0.00 -0.34 0.00 0.00 178.44 179.02 3d7d h ALA 93 N 0.94 0.49 -0.62 1.25 0.00 -0.59 0.26 119.26 120.99 3d7d h ALA 93 Ca 0.15 0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3d7d h ALA 93 Cb 0.54 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3d7d h ALA 93 CO 0.03 -0.40 0.16 0.87 0.00 0.00 0.00 179.25 179.91 3d7d h LYS 94 N 0.10 0.97 -0.12 0.00 1.57 -0.89 -0.49 116.57 117.71 3d7d h LYS 94 Ca 0.27 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3d7d h LYS 94 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3d7d h LYS 94 CO -0.46 0.86 0.07 0.37 -0.57 0.00 0.00 179.45 179.71 3d7d h GLN 95 N 0.93 0.17 -0.65 3.15 4.15 -0.48 -0.77 115.11 121.61 3d7d h GLN 95 Ca 0.20 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3d7d h GLN 95 Cb 0.32 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3d7d h GLN 95 CO -0.00 0.18 0.41 0.82 -1.93 0.00 0.00 178.83 178.31 3d7d h ILE 96 N 0.10 1.18 -0.37 2.39 2.04 -0.74 -0.39 117.51 121.71 3d7d h ILE 96 Ca 0.04 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3d7d h ILE 96 Cb 0.07 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 3d7d h ILE 96 CO -0.01 0.18 0.17 -0.61 0.00 0.00 0.00 178.15 177.88 3d7d h GLN 97 N 0.88 0.34 -0.45 2.37 4.15 -0.95 0.14 115.11 121.59 3d7d h GLN 97 Ca 0.23 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 3d7d h GLN 97 Cb -0.06 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 3d7d h GLN 97 CO -0.05 0.23 0.26 0.77 -1.93 0.00 0.00 178.83 178.11 3d7d h SER 98 N 0.35 0.56 -0.45 -0.69 0.02 -0.69 -2.30 113.55 110.34 3d7d h SER 98 Ca 0.16 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 3d7d h SER 98 Cb 0.09 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3d7d h SER 98 CO -0.13 0.47 -0.18 1.56 -1.14 0.00 0.00 176.83 177.41 3d7d h GLN 99 N 0.59 0.93 -0.64 3.45 4.20 -0.65 -1.82 115.11 121.17 3d7d h GLN 99 Ca 0.16 -0.39 0.01 0.00 0.06 0.00 0.00 58.65 58.49 3d7d h GLN 99 Cb 0.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3d7d h GLN 99 CO -0.03 1.05 0.42 -1.49 -0.67 0.00 0.00 178.83 178.11 3d7d h TRP 100 N 0.76 0.80 0.16 2.96 4.06 -0.61 0.26 115.95 124.35 3d7d h TRP 100 Ca 0.11 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 3d7d h TRP 100 Cb 0.75 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 3d7d h TRP 100 CO 0.05 0.50 -0.08 0.87 -3.56 0.00 0.00 178.44 176.23 3d7d h LYS 101 N 0.86 -0.21 -0.61 0.49 1.57 -1.19 -2.73 116.57 114.75 3d7d h LYS 101 Ca 0.23 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3d7d h LYS 101 Cb -0.10 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3d7d h LYS 101 CO -0.05 -0.11 0.37 1.49 -0.57 0.00 0.00 179.45 180.58 3d7d h GLU 102 N -0.25 0.81 0.00 3.15 4.22 -0.81 -1.64 114.58 120.06 3d7d h GLU 102 Ca -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.35 3d7d h GLU 102 Cb 0.19 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3d7d h GLU 102 CO 0.04 0.57 0.00 0.74 -2.18 0.00 0.00 179.01 178.17 3d7d h PHE 103 N 0.83 0.00 0.00 0.92 0.04 -0.36 -3.46 116.94 114.91 3d7d h PHE 103 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 3d7d h PHE 103 Cb -0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.11 3d7d h PHE 103 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 3d7d n GLY 104 N -0.37 1.32 3.75 -1.45 0.00 -0.62 -4.14 105.19 103.67 3d7d n GLY 104 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3d7d n GLY 104 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7d s LEU 105 N 0.00 3.66 0.24 0.99 1.43 -1.05 -4.93 118.68 119.02 3d7d s LEU 105 Ca 0.00 2.42 -0.04 0.00 -1.03 0.00 0.00 54.13 55.48 3d7d s LEU 105 Cb 0.00 -4.60 0.27 0.00 0.03 0.00 0.00 46.19 41.89 3d7d s LEU 105 CO 0.00 -1.64 1.77 0.44 0.23 0.00 0.00 176.35 177.15 3d7d h ASP 106 N 0.87 0.90 -4.58 2.29 3.32 -1.50 -3.45 116.42 114.27 3d7d h ASP 106 Ca -0.51 -0.19 -0.12 0.00 0.02 0.00 0.00 57.03 56.24 3d7d h ASP 106 Cb 1.30 -0.24 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 3d7d h ASP 106 CO 0.55 0.89 -0.25 -0.55 -1.72 0.00 0.00 179.24 178.16 3d7d s SER 107 N -6.54 -0.29 -0.13 6.45 0.15 -1.19 -5.00 113.70 107.14 3d7d s SER 107 Ca -0.11 0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.87 3d7d s SER 107 Cb 0.15 0.49 0.07 0.00 -1.71 0.00 0.00 66.02 65.02 3d7d s SER 107 CO 0.82 -0.34 0.19 -0.69 1.20 0.00 0.00 173.24 174.42 3d7d s VAL 108 N -0.76 -0.29 0.19 4.45 1.01 -1.26 -0.96 120.40 122.78 3d7d s VAL 108 Ca -0.08 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.13 3d7d s VAL 108 Cb -0.04 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3d7d s VAL 108 CO 0.03 -0.00 -0.16 -1.61 0.00 0.00 0.00 175.10 173.36 3d7d s GLU 109 N 2.31 1.31 -0.09 2.72 0.41 -0.34 -4.96 118.70 120.06 3d7d s GLU 109 Ca 0.04 -1.52 -0.13 0.00 -0.41 0.00 0.00 54.97 52.95 3d7d s GLU 109 Cb -0.14 -1.19 -0.05 0.00 -1.78 0.00 0.00 34.13 30.98 3d7d s GLU 109 CO -0.08 0.21 0.31 -0.51 -0.49 0.00 0.00 175.26 174.70 3d7d s LEU 110 N -3.09 4.36 -0.22 1.80 1.43 -1.26 -0.99 118.68 120.71 3d7d s LEU 110 Ca 0.20 0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 53.96 3d7d s LEU 110 Cb -0.03 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.80 3d7d s LEU 110 CO 0.07 0.25 -0.08 0.00 0.23 0.00 0.00 176.35 176.82 3d7d s ALA 111 N -0.42 2.69 0.23 4.21 0.00 0.19 -4.95 121.76 123.70 3d7d s ALA 111 Ca 0.19 -1.28 0.09 0.00 0.00 0.00 0.00 51.96 50.96 3d7d s ALA 111 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3d7d s ALA 111 CO 0.08 -0.55 -0.03 -3.38 0.00 0.00 0.00 175.76 171.87 3d7d s HIS 112 N 1.39 2.69 0.08 0.00 -3.43 -1.26 -0.33 115.29 114.44 3d7d s HIS 112 Ca 0.04 -0.21 -0.10 0.00 -0.80 0.00 0.00 55.06 53.99 3d7d s HIS 112 Cb -0.15 -1.24 0.00 0.00 -1.43 0.00 0.00 32.58 29.76 3d7d s HIS 112 CO -0.05 0.58 0.22 0.71 -2.00 0.00 0.00 174.74 174.19 3d7d s TYR 113 N -2.05 0.09 -0.33 0.38 2.02 -0.78 -4.86 117.35 111.81 3d7d s TYR 113 Ca 0.29 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.51 3d7d s TYR 113 Cb -0.08 -0.01 0.07 0.00 -0.40 0.00 0.00 41.96 41.54 3d7d s TYR 113 CO 0.18 -0.54 0.05 -0.51 -1.57 0.00 0.00 175.55 173.16 3d7d s ASP 114 N -2.71 4.95 0.27 2.29 1.01 -0.55 -0.80 116.67 121.13 3d7d s ASP 114 Ca 0.03 -1.54 0.11 0.00 0.71 0.00 0.00 52.55 51.85 3d7d s ASP 114 Cb 0.03 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.19 3d7d s ASP 114 CO -0.10 -0.34 -0.18 0.68 0.21 0.00 0.00 175.17 175.44 3d7d s VAL 115 N 1.19 2.31 -0.19 -1.27 -7.23 -0.45 -4.78 120.40 109.97 3d7d s VAL 115 Ca -0.01 -2.36 -0.29 0.00 -1.81 0.00 0.00 61.98 57.51 3d7d s VAL 115 Cb -0.20 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 3d7d s VAL 115 CO -0.03 -0.43 1.42 -0.22 -0.31 0.00 0.00 175.10 175.53 3d7d s LEU 116 N -3.47 4.06 0.52 1.32 2.96 -1.26 -0.52 118.68 122.29 3d7d s LEU 116 Ca 0.28 1.64 0.03 0.00 -0.22 0.00 0.00 54.13 55.87 3d7d s LEU 116 Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3d7d s LEU 116 CO 0.13 -0.98 0.17 -0.76 -1.32 0.00 0.00 176.35 173.59 3d7d s LEU 117 N 4.21 2.51 -0.07 -0.68 1.43 -0.19 -4.82 118.68 121.06 3d7d s LEU 117 Ca 0.62 -1.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.22 3d7d s LEU 117 Cb -0.23 -0.95 0.03 0.00 0.03 0.00 0.00 46.19 45.06 3d7d s LEU 117 CO 0.22 -0.93 0.18 -0.55 0.23 0.00 0.00 176.35 175.50 3d7d s SER 118 N -4.03 -0.17 -0.01 2.29 0.15 -1.26 -0.37 113.70 110.30 3d7d s SER 118 Ca 0.19 0.36 -0.06 0.00 0.70 0.00 0.00 55.95 57.14 3d7d s SER 118 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 3d7d s SER 118 CO 0.11 -0.11 0.12 -0.31 1.20 0.00 0.00 173.24 174.25 3d7d s TYR 119 N 0.72 0.01 0.83 3.44 2.02 -0.61 -4.81 117.35 118.95 3d7d s TYR 119 Ca -0.05 -0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.51 3d7d s TYR 119 Cb -0.07 -0.03 0.10 0.00 -0.40 0.00 0.00 41.96 41.56 3d7d s TYR 119 CO -0.04 -0.22 1.14 -2.14 -1.57 0.00 0.00 175.55 172.73 3d7d s PRO 120 N -0.99 1.61 -0.35 -1.71 0.02 -1.26 -1.31 135.00 131.00 3d7d s PRO 120 Ca -0.11 1.49 -0.26 0.00 0.02 0.00 0.00 61.00 62.14 3d7d s PRO 120 Cb -0.06 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.67 3d7d s PRO 120 CO 0.01 -2.18 0.94 1.21 -0.33 0.00 0.00 177.00 176.65 3d7d s ASN 121 N -2.72 6.72 0.55 2.53 3.84 -1.26 -4.80 114.94 119.80 3d7d s ASN 121 Ca 0.67 0.67 0.23 0.00 0.21 0.00 0.00 52.86 54.64 3d7d s ASN 121 Cb -0.23 -2.47 1.50 0.00 -0.55 0.00 0.00 41.25 39.51 3d7d s ASN 121 CO 0.54 -0.84 2.14 0.11 -2.79 0.00 0.00 177.10 176.27 3d7d h LYS 122 N 8.38 0.00 -0.41 0.43 1.57 -1.96 -2.49 116.57 122.09 3d7d h LYS 122 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3d7d h LYS 122 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3d7d h LYS 122 CO 0.98 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 180.11 3d7d n THR 123 N -4.19 1.59 -2.96 -0.16 -2.24 -1.26 -4.73 114.28 100.33 3d7d n THR 123 Ca -0.00 -1.31 -0.14 0.00 -2.27 0.00 0.00 64.05 60.34 3d7d n THR 123 Cb 0.22 0.19 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3d7d n THR 123 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3d7d n HIS 124 N 0.41 -2.42 -1.96 4.78 -0.00 -0.94 -5.15 115.22 109.94 3d7d n HIS 124 Ca 0.18 -2.31 -0.37 0.00 -0.00 0.00 0.00 57.72 55.22 3d7d n HIS 124 Cb 0.69 0.90 0.03 0.00 -0.00 0.00 0.00 29.99 31.61 3d7d n HIS 124 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3d7d s PRO 125 N 0.22 3.27 0.20 1.57 0.02 -1.25 -4.49 135.00 134.53 3d7d s PRO 125 Ca 0.32 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 3d7d s PRO 125 Cb 0.13 -2.22 -0.08 0.00 0.02 0.00 0.00 34.50 32.34 3d7d s PRO 125 CO -0.16 -1.02 0.97 -0.80 -0.33 0.00 0.00 177.00 175.66 3d7d s ASN 126 N -1.21 7.56 0.20 2.53 0.01 -1.26 -4.84 114.94 117.93 3d7d s ASN 126 Ca 0.71 1.93 -0.23 0.00 -0.71 0.00 0.00 52.86 54.56 3d7d s ASN 126 Cb -0.35 -2.60 0.05 0.00 0.41 0.00 0.00 41.25 38.75 3d7d s ASN 126 CO 0.41 0.05 0.86 -0.72 -1.51 0.00 0.00 177.10 176.19 3d7d s TYR 127 N -0.76 -0.16 0.03 2.20 -0.85 -0.79 -4.80 117.35 112.22 3d7d s TYR 127 Ca 0.44 -0.20 0.08 0.00 -0.52 0.00 0.00 57.07 56.86 3d7d s TYR 127 Cb -0.26 0.66 -0.02 0.00 0.38 0.00 0.00 41.96 42.72 3d7d s TYR 127 CO 0.32 -0.98 -0.23 0.42 -1.52 0.00 0.00 175.55 173.56 3d7d s ILE 128 N -3.53 1.87 0.17 -3.49 1.01 -1.26 -0.56 121.20 115.40 3d7d s ILE 128 Ca 0.12 -1.21 0.09 0.00 0.00 0.00 0.00 60.65 59.65 3d7d s ILE 128 Cb -0.03 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3d7d s ILE 128 CO 0.04 0.34 -0.20 -0.44 0.00 0.00 0.00 174.94 174.68 3d7d s SER 129 N -1.03 2.84 -0.16 3.58 0.01 0.68 -0.62 113.70 118.99 3d7d s SER 129 Ca 0.09 -0.85 -0.15 0.00 1.31 0.00 0.00 55.95 56.35 3d7d s SER 129 Cb -0.09 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 3d7d s SER 129 CO 0.01 0.00 0.35 -0.63 0.41 0.00 0.00 173.24 173.38 3d7d s ILE 130 N -1.91 5.26 -0.12 1.44 1.01 -0.60 -0.56 121.20 125.71 3d7d s ILE 130 Ca 0.16 0.65 0.02 0.00 0.00 0.00 0.00 60.65 61.48 3d7d s ILE 130 Cb -0.06 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 3d7d s ILE 130 CO 0.07 0.35 -0.19 -0.51 0.00 0.00 0.00 174.94 174.66 3d7d s ILE 131 N 0.70 2.49 0.87 2.92 2.07 -0.10 -0.64 121.20 129.50 3d7d s ILE 131 Ca 0.19 -0.86 -0.13 0.00 -1.41 0.00 0.00 60.65 58.44 3d7d s ILE 131 Cb -0.14 -2.00 0.14 0.00 0.13 0.00 0.00 42.46 40.59 3d7d s ILE 131 CO 0.06 0.54 1.22 0.54 -1.91 0.00 0.00 174.94 175.39 3d7d s ASN 132 N 0.46 3.84 0.25 4.50 2.20 0.24 -1.27 114.94 125.16 3d7d s ASN 132 Ca -0.13 0.44 0.07 0.00 -0.94 0.00 0.00 52.86 52.30 3d7d s ASN 132 Cb -0.17 -0.72 0.75 0.00 -2.00 0.00 0.00 41.25 39.12 3d7d s ASN 132 CO 0.05 -2.28 1.16 1.21 -2.94 0.00 0.00 177.10 174.31 3d7d n GLU 133 N -3.47 -0.05 0.00 3.55 2.13 -1.26 -0.55 120.64 120.99 3d7d n GLU 133 Ca 0.12 1.07 0.13 0.00 0.66 0.00 0.00 57.16 59.15 3d7d n GLU 133 Cb 0.60 -1.79 0.47 0.00 0.27 0.00 0.00 31.44 30.99 3d7d n GLU 133 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3d7d n ASP 134 N -4.88 0.95 0.00 4.31 8.00 -1.26 -4.92 116.55 118.75 3d7d n ASP 134 Ca 0.22 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.81 3d7d n ASP 134 Cb 0.73 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 3d7d n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d7d n GLY 135 N 1.29 0.69 3.72 0.44 0.00 0.29 -5.06 105.19 106.56 3d7d n GLY 135 Ca 0.14 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 3d7d n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d7d s ASN 136 N -2.49 7.19 -0.60 1.61 0.01 -1.25 -4.84 114.94 114.57 3d7d s ASN 136 Ca 0.00 1.43 -0.26 0.00 -0.71 0.00 0.00 52.86 53.32 3d7d s ASN 136 Cb 0.00 -2.48 0.04 0.00 0.41 0.00 0.00 41.25 39.21 3d7d s ASN 136 CO 0.00 -0.12 1.11 -1.61 -1.51 0.00 0.00 177.10 174.97 3d7d s GLU 137 N 0.60 3.39 0.10 -0.60 2.02 -1.26 -0.59 118.70 122.36 3d7d s GLU 137 Ca 0.43 -0.04 0.24 0.00 0.02 0.00 0.00 54.97 55.61 3d7d s GLU 137 Cb -0.20 -4.06 0.23 0.00 0.10 0.00 0.00 34.13 30.20 3d7d s GLU 137 CO 0.23 -1.69 1.21 0.44 0.02 0.00 0.00 175.26 175.47 3d7d n ILE 138 N 6.44 0.32 -3.77 -1.63 -5.35 0.19 -4.83 119.36 110.72 3d7d n ILE 138 Ca 0.05 -0.29 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 3d7d n ILE 138 Cb 0.48 -0.04 -0.12 0.00 -1.74 0.00 0.00 39.64 38.22 3d7d n ILE 138 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3d7d s PHE 139 N -3.19 -0.28 -0.03 4.28 5.36 -1.17 -4.97 117.98 117.97 3d7d s PHE 139 Ca 0.05 0.67 0.05 0.00 -0.96 0.00 0.00 56.93 56.74 3d7d s PHE 139 Cb 0.13 0.07 -0.01 0.00 -0.34 0.00 0.00 43.02 42.88 3d7d s PHE 139 CO 0.75 -0.16 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.36 3d7d s ASN 140 N 0.50 2.41 0.89 6.13 0.01 -1.26 -1.56 114.94 122.06 3d7d s ASN 140 Ca -0.03 -0.39 -0.11 0.00 -0.71 0.00 0.00 52.86 51.62 3d7d s ASN 140 Cb -0.05 -0.51 0.12 0.00 0.41 0.00 0.00 41.25 41.23 3d7d s ASN 140 CO -0.03 0.21 1.09 0.42 -1.51 0.00 0.00 177.10 177.28 3d7d s THR 141 N -0.21 2.71 0.60 1.60 -4.23 0.20 -4.99 115.64 111.33 3d7d s THR 141 Ca 0.01 0.23 -0.19 0.00 -1.18 0.00 0.00 61.69 60.56 3d7d s THR 141 Cb -0.10 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 3d7d s THR 141 CO 0.01 -0.30 1.21 -0.55 -0.54 0.00 0.00 174.62 174.45 3d7d s SER 142 N -3.39 5.14 0.00 3.99 0.15 -1.26 -4.70 113.70 113.63 3d7d s SER 142 Ca 0.63 2.39 0.24 0.00 0.70 0.00 0.00 55.95 59.91 3d7d s SER 142 Cb -0.18 -2.60 0.38 0.00 -1.71 0.00 0.00 66.02 61.91 3d7d s SER 142 CO 0.57 -1.63 1.33 0.18 1.20 0.00 0.00 173.24 174.89 3d7d n LEU 143 N -1.65 0.69 -3.52 3.45 4.77 -1.26 -4.89 117.00 114.59 3d7d n LEU 143 Ca 0.14 -0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 3d7d n LEU 143 Cb 0.50 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 3d7d n LEU 143 CO 0.45 0.16 0.66 0.72 -1.33 0.00 0.00 177.39 178.05 3d7d s PHE 144 N -2.93 -0.34 0.07 -1.77 -0.12 -1.26 -4.75 117.98 106.88 3d7d s PHE 144 Ca 0.12 0.18 -0.28 0.00 -0.05 0.00 0.00 56.93 56.90 3d7d s PHE 144 Cb 0.17 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 43.06 3d7d s PHE 144 CO 0.71 -0.61 0.89 -1.21 -0.05 0.00 0.00 175.22 174.94 3d7d s GLU 145 N -3.21 4.61 -0.07 1.99 2.02 -1.26 -4.99 118.70 117.78 3d7d s GLU 145 Ca 0.05 1.30 -0.35 0.00 0.02 0.00 0.00 54.97 55.99 3d7d s GLU 145 Cb -0.01 -3.38 -0.12 0.00 0.10 0.00 0.00 34.13 30.71 3d7d s GLU 145 CO -0.08 0.21 1.82 -2.30 0.02 0.00 0.00 175.26 174.93 3d7d n PRO 146 N 2.92 2.06 -2.15 0.39 -0.02 -1.26 -4.88 135.00 132.06 3d7d n PRO 146 Ca 0.01 0.75 -0.35 0.00 -2.02 0.00 0.00 63.50 61.90 3d7d n PRO 146 Cb 0.50 -2.57 0.01 0.00 -0.02 0.00 0.00 33.50 31.42 3d7d n PRO 146 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3d7d s PRO 147 N 3.58 3.24 0.83 0.52 0.04 -1.26 -5.00 135.00 136.96 3d7d s PRO 147 Ca 0.91 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 63.39 3d7d s PRO 147 Cb -0.73 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 31.90 3d7d s PRO 147 CO 0.51 -0.93 1.10 -1.25 0.04 0.00 0.00 177.00 176.48 3d7d s PRO 148 N -3.47 1.83 -0.03 0.56 0.04 -1.26 -4.66 135.00 128.01 3d7d s PRO 148 Ca 0.71 0.64 -0.37 0.00 0.04 0.00 0.00 61.00 62.03 3d7d s PRO 148 Cb -0.23 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 3d7d s PRO 148 CO 0.30 -1.80 1.58 -2.30 0.04 0.00 0.00 177.00 174.83 3d7d n PRO 149 N -3.55 1.49 -0.15 0.56 -0.02 -1.26 -1.34 135.00 130.72 3d7d n PRO 149 Ca 0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3d7d n PRO 149 Cb 0.56 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3d7d n PRO 149 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d7d n GLY 150 N 3.46 1.23 0.14 -1.23 0.00 -1.26 -4.84 105.19 102.69 3d7d n GLY 150 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 3d7d n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d7d n TYR 151 N -2.00 0.07 0.26 1.61 4.01 -0.45 -4.66 117.16 116.01 3d7d n TYR 151 Ca 0.00 -0.32 0.04 0.00 -0.16 0.00 0.00 57.90 57.46 3d7d n TYR 151 Cb 0.00 -0.03 0.20 0.00 -0.31 0.00 0.00 39.34 39.20 3d7d n TYR 151 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3d7d n GLU 152 N -0.10 0.02 -0.14 -0.72 4.71 -1.22 -1.91 120.64 121.28 3d7d n GLU 152 Ca 0.02 0.39 0.04 0.00 -0.01 0.00 0.00 57.16 57.60 3d7d n GLU 152 Cb 0.21 -1.54 0.12 0.00 -1.01 0.00 0.00 31.44 29.22 3d7d n GLU 152 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3d7d n ASN 153 N -1.57 2.71 -4.73 1.62 5.15 -1.26 -4.99 115.26 112.18 3d7d n ASN 153 Ca 0.02 -2.18 -0.41 0.00 -0.60 0.00 0.00 54.58 51.41 3d7d n ASN 153 Cb 0.09 -0.21 -0.03 0.00 -0.53 0.00 0.00 39.78 39.10 3d7d n ASN 153 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3d7d s VAL 154 N -1.31 3.83 0.43 3.44 1.01 -0.80 -5.04 120.40 121.95 3d7d s VAL 154 Ca 0.19 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.68 3d7d s VAL 154 Cb 0.12 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3d7d s VAL 154 CO 0.09 0.19 0.59 -0.55 0.00 0.00 0.00 175.10 175.42 3d7d s SER 155 N 0.44 5.68 -1.19 3.32 0.15 -1.26 -4.52 113.70 116.31 3d7d s SER 155 Ca 0.54 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.95 3d7d s SER 155 Cb -0.30 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 3d7d s SER 155 CO 0.33 -0.75 0.00 0.47 1.20 0.00 0.00 173.24 174.49 3d7d n ASP 156 N -1.91 -4.21 -4.64 5.45 8.00 -1.26 -4.81 116.55 113.17 3d7d n ASP 156 Ca 0.06 0.10 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 3d7d n ASP 156 Cb 0.59 -3.21 -0.02 0.00 -0.02 0.00 0.00 41.12 38.45 3d7d n ASP 156 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d7d s ILE 157 N -2.59 4.59 0.09 0.53 1.01 -1.26 -4.83 121.20 118.75 3d7d s ILE 157 Ca 0.00 1.77 -0.31 0.00 0.00 0.00 0.00 60.65 62.11 3d7d s ILE 157 Cb 0.00 -4.35 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 3d7d s ILE 157 CO 0.00 -0.36 1.40 0.54 0.00 0.00 0.00 174.94 176.52 3d7d s VAL 158 N 3.43 3.39 0.81 2.92 0.11 -1.26 -4.98 120.40 124.83 3d7d s VAL 158 Ca 0.44 0.96 -0.10 0.00 -2.93 0.00 0.00 61.98 60.34 3d7d s VAL 158 Cb -0.13 -3.62 0.08 0.00 -1.53 0.00 0.00 36.38 31.18 3d7d s VAL 158 CO 0.12 0.06 1.11 -2.16 -3.33 0.00 0.00 175.10 170.90 3d7d s PRO 159 N 1.41 1.88 0.23 1.54 0.04 -1.26 -4.90 135.00 133.94 3d7d s PRO 159 Ca 0.65 1.29 -0.32 0.00 0.04 0.00 0.00 61.00 62.66 3d7d s PRO 159 Cb -0.36 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 3d7d s PRO 159 CO 0.30 -1.95 1.47 -2.30 0.04 0.00 0.00 177.00 174.56 3d7d n PRO 160 N -3.72 2.15 -3.67 0.56 -0.02 -1.26 -4.96 135.00 124.08 3d7d n PRO 160 Ca 0.10 0.77 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 3d7d n PRO 160 Cb 0.53 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 3d7d n PRO 160 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3d7d s PHE 161 N 0.15 -0.33 -0.45 6.00 -0.12 -1.26 -4.87 117.98 117.10 3d7d s PHE 161 Ca 0.70 -0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 57.42 3d7d s PHE 161 Cb -0.63 0.64 0.06 0.00 -0.63 0.00 0.00 43.02 42.46 3d7d s PHE 161 CO 0.47 -1.03 0.35 -1.12 -0.05 0.00 0.00 175.22 173.84 3d7d s SER 162 N -2.84 6.06 0.26 1.98 0.01 -1.26 -3.70 113.70 114.22 3d7d s SER 162 Ca 0.07 -1.24 -0.30 0.00 1.31 0.00 0.00 55.95 55.79 3d7d s SER 162 Cb -0.04 -2.15 -0.11 0.00 0.21 0.00 0.00 66.02 63.94 3d7d s SER 162 CO -0.02 -0.58 1.55 0.00 0.41 0.00 0.00 173.24 174.60 3d7d s ALA 163 N 1.62 3.72 0.00 1.44 0.00 -1.13 -2.01 121.76 125.40 3d7d s ALA 163 Ca 0.04 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3d7d s ALA 163 Cb -0.23 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3d7d s ALA 163 CO 0.07 -0.89 0.00 1.19 0.00 0.00 0.00 175.76 176.13 3d7d n PHE 164 N 2.45 0.00 -1.68 0.00 3.72 -1.26 -2.54 117.46 118.15 3d7d n PHE 164 Ca 0.08 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.05 3d7d n PHE 164 Cb 0.38 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.91 3d7d n PHE 164 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3d7d n SER 165 N 0.00 2.63 -4.75 4.37 2.88 -0.85 -4.42 113.62 113.48 3d7d n SER 165 Ca 0.00 1.18 -0.29 0.00 -1.33 0.00 0.00 58.87 58.43 3d7d n SER 165 Cb 0.00 -1.44 0.14 0.00 -0.75 0.00 0.00 64.21 62.16 3d7d n SER 165 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3d7d s PRO 166 N -1.19 1.10 0.49 -1.46 0.04 -1.26 -4.79 135.00 127.92 3d7d s PRO 166 Ca 0.61 0.47 -0.18 0.00 0.04 0.00 0.00 61.00 61.95 3d7d s PRO 166 Cb -0.62 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 3d7d s PRO 166 CO 0.56 -2.26 0.98 -0.65 0.04 0.00 0.00 177.00 175.67 3d7d s GLN 167 N -5.13 4.01 0.00 4.56 -0.21 -1.26 -4.43 119.66 117.20 3d7d s GLN 167 Ca 0.64 1.02 0.00 0.00 0.02 0.00 0.00 55.36 57.04 3d7d s GLN 167 Cb -0.16 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.70 3d7d s GLN 167 CO 0.55 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.91 3d7d n GLY 168 N -1.26 1.41 2.50 3.09 0.00 -0.45 -4.82 105.19 105.66 3d7d n GLY 168 Ca 0.07 -0.90 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 3d7d n GLY 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d7d n MET 169 N -0.49 1.78 -1.83 1.61 2.81 -1.26 -1.39 117.12 118.35 3d7d n MET 169 Ca 0.00 -3.79 -0.41 0.00 -1.81 0.00 0.00 57.70 51.69 3d7d n MET 169 Cb 0.00 -1.76 -0.00 0.00 -0.71 0.00 0.00 33.22 30.74 3d7d n MET 169 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3d7d s PRO 170 N -2.96 4.13 -0.03 0.03 0.04 -1.25 -4.67 135.00 130.28 3d7d s PRO 170 Ca 0.39 2.54 0.06 0.00 0.04 0.00 0.00 61.00 64.04 3d7d s PRO 170 Cb 0.37 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 3d7d s PRO 170 CO -0.07 -0.52 -0.21 -1.21 0.04 0.00 0.00 177.00 175.03 3d7d s GLU 171 N -1.92 1.98 -0.01 4.56 2.02 -1.26 -1.35 118.70 122.72 3d7d s GLU 171 Ca 0.53 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 3d7d s GLU 171 Cb -0.46 -1.78 0.02 0.00 0.10 0.00 0.00 34.13 32.00 3d7d s GLU 171 CO 0.61 0.38 0.27 0.41 0.02 0.00 0.00 175.26 176.95 3d7d n GLY 172 N 2.82 0.49 3.83 -1.39 0.00 0.05 -4.95 105.19 106.03 3d7d n GLY 172 Ca -0.17 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 3d7d n GLY 172 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d7d s ASP 173 N -1.58 6.91 0.36 1.61 1.01 -1.26 -0.85 116.67 122.87 3d7d s ASP 173 Ca 0.06 1.09 -0.25 0.00 0.71 0.00 0.00 52.55 54.17 3d7d s ASP 173 Cb -0.00 -2.30 -0.09 0.00 1.01 0.00 0.00 42.92 41.54 3d7d s ASP 173 CO -0.00 0.26 1.01 -0.76 0.21 0.00 0.00 175.17 175.88 3d7d s LEU 174 N -1.28 4.23 -0.05 1.23 1.43 -1.26 -1.85 118.68 121.14 3d7d s LEU 174 Ca 0.29 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 3d7d s LEU 174 Cb -0.17 -4.10 -0.00 0.00 0.03 0.00 0.00 46.19 41.94 3d7d s LEU 174 CO 0.17 -0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 175.59 3d7d s VAL 175 N -1.64 1.47 -0.20 -1.59 1.01 0.27 0.00 120.40 119.72 3d7d s VAL 175 Ca 0.54 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 3d7d s VAL 175 Cb -0.21 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3d7d s VAL 175 CO 0.26 0.42 0.39 -0.47 0.00 0.00 0.00 175.10 175.70 3d7d s TYR 176 N 0.04 3.37 -0.15 5.22 5.04 -0.63 -0.74 117.35 129.51 3d7d s TYR 176 Ca -0.04 0.60 0.16 0.00 -2.44 0.00 0.00 57.07 55.35 3d7d s TYR 176 Cb -0.12 -2.51 0.32 0.00 0.35 0.00 0.00 41.96 40.00 3d7d s TYR 176 CO 0.02 -0.00 1.17 1.33 -1.34 0.00 0.00 175.55 176.73 3d7d n VAL 177 N 4.32 1.91 0.00 3.14 0.24 -0.51 -4.70 118.33 122.73 3d7d n VAL 177 Ca -0.09 -2.46 0.00 0.00 -2.04 0.00 0.00 64.34 59.75 3d7d n VAL 177 Cb 0.51 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 3d7d n VAL 177 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3d7d n ASN 178 N -1.29 0.00 -0.63 -1.34 5.15 -1.26 -0.93 115.26 114.95 3d7d n ASN 178 Ca 0.16 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.23 3d7d n ASN 178 Cb 0.66 0.00 0.27 0.00 -0.53 0.00 0.00 39.78 40.18 3d7d n ASN 178 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3d7d n TYR 179 N 13.73 0.36 -2.27 1.20 4.01 -1.26 -1.18 117.16 131.74 3d7d n TYR 179 Ca 0.00 -0.18 -0.19 0.00 -0.16 0.00 0.00 57.90 57.37 3d7d n TYR 179 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 3d7d n TYR 179 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3d7d n ALA 180 N 0.48 -0.60 -1.41 -0.72 0.00 -0.11 -4.83 120.51 113.32 3d7d n ALA 180 Ca 0.14 0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.46 3d7d n ALA 180 Cb 0.33 -2.01 0.10 0.00 0.00 0.00 0.00 19.45 17.87 3d7d n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3d7d s ARG 181 N -4.82 1.93 0.19 0.00 0.52 -1.26 -4.37 118.95 111.14 3d7d s ARG 181 Ca 0.00 0.79 -0.12 0.00 -0.52 0.00 0.00 55.73 55.87 3d7d s ARG 181 Cb 0.00 -1.89 0.19 0.00 0.52 0.00 0.00 34.95 33.77 3d7d s ARG 181 CO 0.00 -1.76 1.74 1.15 0.02 0.00 0.00 175.30 176.45 3d7d h THR 182 N -1.20 0.80 0.00 0.02 2.02 -1.94 -1.34 112.91 111.28 3d7d h THR 182 Ca -0.47 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 3d7d h THR 182 Cb 1.26 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3d7d h THR 182 CO 0.57 0.06 -0.25 1.05 0.37 0.00 0.00 175.52 177.32 3d7d h GLU 183 N 0.34 0.00 -0.34 6.66 9.09 -1.99 0.02 114.58 128.37 3d7d h GLU 183 Ca 0.25 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.59 3d7d h GLU 183 Cb 0.28 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 3d7d h GLU 183 CO -0.27 0.25 -0.07 -0.44 0.05 0.00 0.00 179.01 178.53 3d7d h ASP 184 N 0.00 0.64 0.02 3.06 3.32 -1.62 -1.66 116.42 120.18 3d7d h ASP 184 Ca -0.00 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 3d7d h ASP 184 Cb 0.57 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3d7d h ASP 184 CO 0.03 0.85 -0.33 -0.26 -1.72 0.00 0.00 179.24 177.81 3d7d h PHE 185 N 0.43 0.50 -0.26 4.55 -1.00 -0.98 -1.77 116.94 118.41 3d7d h PHE 185 Ca 0.09 -0.12 0.02 0.00 2.81 0.00 0.00 57.97 60.77 3d7d h PHE 185 Cb 0.56 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 3d7d h PHE 185 CO 0.05 0.72 0.10 0.74 -1.61 0.00 0.00 178.31 178.30 3d7d h PHE 186 N 0.38 0.17 -0.36 -0.55 0.04 -0.89 -1.46 116.94 114.27 3d7d h PHE 186 Ca 0.05 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3d7d h PHE 186 Cb 0.76 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 3d7d h PHE 186 CO 0.02 0.09 0.24 -0.22 -0.60 0.00 0.00 178.31 177.84 3d7d h LYS 187 N 0.22 0.48 0.24 1.51 1.63 -1.08 0.28 116.57 119.85 3d7d h LYS 187 Ca 0.11 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3d7d h LYS 187 Cb 0.07 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.60 3d7d h LYS 187 CO -0.11 0.32 -0.12 -0.07 -3.45 0.00 0.00 179.45 176.02 3d7d h LEU 188 N 0.49 -0.28 0.22 5.20 3.38 -1.23 -0.52 115.31 122.58 3d7d h LEU 188 Ca 0.13 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 3d7d h LEU 188 Cb -0.06 0.07 0.03 0.00 0.09 0.00 0.00 40.66 40.79 3d7d h LEU 188 CO -0.03 -0.19 -1.46 -0.33 0.09 0.00 0.00 178.44 176.52 3d7d h GLU 189 N -0.34 0.47 0.10 1.13 5.08 -1.17 0.26 114.58 120.13 3d7d h GLU 189 Ca -0.03 -0.81 -0.35 0.00 -1.00 0.00 0.00 59.36 57.17 3d7d h GLU 189 Cb 0.26 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3d7d h GLU 189 CO 0.05 1.39 -1.93 0.54 -1.00 0.00 0.00 179.01 178.06 3d7d n ARG 190 N -3.75 0.73 -0.12 2.33 1.74 0.98 -3.45 116.66 115.13 3d7d n ARG 190 Ca -0.19 0.27 -0.22 0.00 -0.77 0.00 0.00 57.85 56.94 3d7d n ARG 190 Cb 1.06 -1.73 -0.12 0.00 -1.02 0.00 0.00 32.46 30.66 3d7d n ARG 190 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3d7d n ASP 191 N -3.39 1.98 0.01 0.55 8.00 -0.85 -4.52 116.55 118.32 3d7d n ASP 191 Ca -0.29 0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.41 3d7d n ASP 191 Cb 1.05 -0.61 0.13 0.00 -0.02 0.00 0.00 41.12 41.67 3d7d n ASP 191 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3d7d n MET 192 N -3.66 0.06 -3.73 -1.24 2.81 -0.26 -4.96 117.12 106.13 3d7d n MET 192 Ca -0.47 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.15 3d7d n MET 192 Cb 0.95 -1.52 0.04 0.00 -0.71 0.00 0.00 33.22 31.97 3d7d n MET 192 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3d7d n LYS 193 N -1.60 -5.84 -3.43 0.03 4.01 -0.40 -4.96 118.16 105.97 3d7d n LYS 193 Ca 0.05 0.66 -0.38 0.00 -0.51 0.00 0.00 58.31 58.13 3d7d n LYS 193 Cb 0.35 -5.58 -0.06 0.00 -0.51 0.00 0.00 35.03 29.23 3d7d n LYS 193 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3d7d s ILE 194 N -3.26 5.17 -0.26 -0.18 1.01 0.79 -4.97 121.20 119.50 3d7d s ILE 194 Ca 0.60 0.81 -0.10 0.00 0.00 0.00 0.00 60.65 61.97 3d7d s ILE 194 Cb -0.29 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 3d7d s ILE 194 CO 0.74 0.42 0.14 0.21 0.00 0.00 0.00 174.94 176.45 3d7d s ASN 195 N 0.08 5.73 0.00 3.58 3.84 -1.26 -4.03 114.94 122.88 3d7d s ASN 195 Ca 0.23 -0.05 0.27 0.00 0.21 0.00 0.00 52.86 53.51 3d7d s ASN 195 Cb -0.15 -2.05 0.84 0.00 -0.55 0.00 0.00 41.25 39.34 3d7d s ASN 195 CO 0.09 -0.02 1.62 0.00 -2.79 0.00 0.00 177.10 176.01 3d7d n SER 197 N -0.98 2.98 0.00 0.00 2.88 -1.18 -1.07 113.62 116.25 3d7d n SER 197 Ca 0.11 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 3d7d n SER 197 Cb 0.33 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 3d7d n SER 197 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d7d n GLY 198 N 3.41 0.26 3.92 0.46 0.00 -0.36 -4.93 105.19 107.96 3d7d n GLY 198 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3d7d n GLY 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d7d s LYS 199 N -1.02 3.55 -0.13 1.61 -0.14 -0.23 -4.64 119.74 118.74 3d7d s LYS 199 Ca 0.00 -0.18 -0.21 0.00 -1.36 0.00 0.00 55.97 54.22 3d7d s LYS 199 Cb 0.00 -2.67 -0.03 0.00 -1.68 0.00 0.00 37.83 33.45 3d7d s LYS 199 CO 0.00 0.19 0.62 0.42 -0.76 0.00 0.00 175.35 175.82 3d7d s ILE 200 N -2.19 5.07 -0.07 2.17 1.01 -0.77 0.05 121.20 126.47 3d7d s ILE 200 Ca 0.42 1.23 -0.09 0.00 0.00 0.00 0.00 60.65 62.21 3d7d s ILE 200 Cb -0.10 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3d7d s ILE 200 CO 0.33 0.21 0.22 -0.69 0.00 0.00 0.00 174.94 175.02 3d7d s VAL 201 N 1.19 5.37 -0.09 2.92 1.01 -0.63 -0.56 120.40 129.61 3d7d s VAL 201 Ca 0.31 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.68 3d7d s VAL 201 Cb -0.16 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3d7d s VAL 201 CO 0.13 0.57 -0.23 -0.51 0.00 0.00 0.00 175.10 175.06 3d7d s ILE 202 N -1.09 2.22 0.00 2.22 2.07 0.09 -0.35 121.20 126.36 3d7d s ILE 202 Ca 0.19 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 3d7d s ILE 202 Cb -0.13 -1.85 -0.00 0.00 0.13 0.00 0.00 42.46 40.61 3d7d s ILE 202 CO 0.08 0.56 -0.01 0.00 -1.91 0.00 0.00 174.94 173.66 3d7d s ALA 203 N 0.17 0.09 0.18 1.50 0.00 -0.36 -1.42 121.76 121.91 3d7d s ALA 203 Ca -0.13 -0.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 3d7d s ALA 203 Cb -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.88 3d7d s ALA 203 CO 0.07 -0.00 0.74 -0.98 0.00 0.00 0.00 175.76 175.59 3d7d s ARG 204 N -0.21 4.42 0.75 0.00 1.70 -0.33 -1.75 118.95 123.53 3d7d s ARG 204 Ca -0.02 1.02 -0.14 0.00 -0.47 0.00 0.00 55.73 56.12 3d7d s ARG 204 Cb -0.02 -3.10 0.05 0.00 -0.57 0.00 0.00 34.95 31.31 3d7d s ARG 204 CO -0.00 0.50 1.20 0.71 -1.08 0.00 0.00 175.30 176.63 3d7d s TYR 205 N -1.30 2.04 0.00 5.89 4.12 0.34 -4.39 117.35 124.05 3d7d s TYR 205 Ca 0.38 1.62 0.00 0.00 0.02 0.00 0.00 57.07 59.09 3d7d s TYR 205 Cb -0.20 -3.44 0.00 0.00 -1.52 0.00 0.00 41.96 36.80 3d7d s TYR 205 CO 0.23 -2.58 0.00 0.41 0.02 0.00 0.00 175.55 173.63 3d7d n GLY 206 N 0.31 3.70 4.83 0.71 0.00 -1.26 -4.74 105.19 108.74 3d7d n GLY 206 Ca 0.13 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3d7d n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d7d n LYS 207 N -1.47 0.00 -4.15 1.61 4.76 -1.26 -4.82 118.16 112.83 3d7d n LYS 207 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3d7d n LYS 207 Cb 0.00 -0.04 -0.10 0.00 -1.84 0.00 0.00 35.03 33.05 3d7d n LYS 207 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3d7d s VAL 208 N 0.00 0.72 0.26 -0.18 -7.23 -1.26 -4.71 120.40 108.00 3d7d s VAL 208 Ca 0.00 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.12 3d7d s VAL 208 Cb 0.00 -1.45 -0.13 0.00 0.56 0.00 0.00 36.38 35.36 3d7d s VAL 208 CO 0.00 -0.74 1.39 0.33 -0.31 0.00 0.00 175.10 175.78 3d7d n PHE 209 N 0.31 2.23 0.12 2.82 7.35 -1.26 -4.88 117.46 124.14 3d7d n PHE 209 Ca -0.15 0.45 0.15 0.00 -0.76 0.00 0.00 57.45 57.14 3d7d n PHE 209 Cb 0.59 -2.46 0.69 0.00 0.35 0.00 0.00 39.48 38.65 3d7d n PHE 209 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 3d7d h ARG 210 N 3.91 0.00 -0.33 -4.13 0.11 -1.94 -1.01 114.38 110.99 3d7d h ARG 210 Ca -0.45 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.57 3d7d h ARG 210 Cb 1.27 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.34 3d7d h ARG 210 CO 0.73 0.00 -0.04 0.78 0.10 0.00 0.00 179.97 181.55 3d7d h GLY 211 N 0.00 0.56 1.19 0.08 0.00 -1.80 -2.01 103.07 101.09 3d7d h GLY 211 Ca 0.14 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3d7d h GLY 211 CO -0.00 0.32 0.04 3.43 0.00 0.00 0.00 176.54 180.33 3d7d h ASN 212 N 0.50 0.95 -0.48 0.19 4.21 -1.48 -1.16 115.58 118.31 3d7d h ASN 212 Ca 0.10 -0.24 0.04 0.00 1.21 0.00 0.00 56.30 57.41 3d7d h ASN 212 Cb 0.38 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 37.28 3d7d h ASN 212 CO 0.02 0.99 0.24 0.11 -1.29 0.00 0.00 177.43 177.49 3d7d h LYS 213 N 0.91 0.45 -0.32 0.81 1.57 -1.31 -0.09 116.57 118.60 3d7d h LYS 213 Ca 0.17 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3d7d h LYS 213 Cb 0.48 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3d7d h LYS 213 CO 0.02 0.30 -0.20 0.28 -0.57 0.00 0.00 179.45 179.28 3d7d h VAL 214 N 0.47 1.29 -0.56 0.50 2.07 -1.24 0.29 116.25 119.07 3d7d h VAL 214 Ca 0.21 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.44 3d7d h VAL 214 Cb 0.12 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3d7d h VAL 214 CO -0.15 0.43 0.32 0.50 0.02 0.00 0.00 177.57 178.69 3d7d h LYS 215 N 0.46 0.61 -0.54 1.57 3.64 -1.04 0.19 116.57 121.45 3d7d h LYS 215 Ca 0.07 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 3d7d h LYS 215 Cb 0.74 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 3d7d h LYS 215 CO 0.06 0.40 0.21 -0.91 -2.27 0.00 0.00 179.45 176.93 3d7d h ASN 216 N 0.62 0.76 -0.60 4.20 2.35 -0.78 -0.79 115.58 121.35 3d7d h ASN 216 Ca 0.23 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3d7d h ASN 216 Cb 0.07 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3d7d h ASN 216 CO -0.12 0.73 0.21 0.00 -1.65 0.00 0.00 177.43 176.60 3d7d h ALA 217 N 1.06 0.78 -0.49 -0.83 0.00 -0.46 -1.82 119.26 117.50 3d7d h ALA 217 Ca 0.18 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3d7d h ALA 217 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3d7d h ALA 217 CO -0.01 0.42 0.32 0.37 0.00 0.00 0.00 179.25 180.35 3d7d h GLN 218 N 0.84 0.64 0.00 0.00 4.15 -0.31 -1.62 115.11 118.80 3d7d h GLN 218 Ca 0.20 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 3d7d h GLN 218 Cb 0.24 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 3d7d h GLN 218 CO -0.01 0.42 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.09 3d7d h LEU 219 N 0.66 0.00 0.00 -2.39 3.38 -0.88 -0.92 115.31 115.15 3d7d h LEU 219 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3d7d h LEU 219 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3d7d h LEU 219 CO -0.04 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.64 3d7d n ALA 220 N -2.16 2.03 -0.75 1.53 0.00 -0.71 -4.92 120.51 115.54 3d7d n ALA 220 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3d7d n ALA 220 Cb 0.45 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3d7d n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d7d n GLY 221 N 0.42 0.61 3.55 0.00 0.00 -0.35 -3.07 105.19 106.35 3d7d n GLY 221 Ca 0.09 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3d7d n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7d n ALA 222 N 0.24 -0.41 0.69 4.61 0.00 -0.64 -1.22 120.51 123.77 3d7d n ALA 222 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.56 3d7d n ALA 222 Cb 0.00 -1.98 0.13 0.00 0.00 0.00 0.00 19.45 17.60 3d7d n ALA 222 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3d7d n LYS 223 N -0.50 2.17 -3.61 0.00 2.85 0.11 -4.77 118.16 114.42 3d7d n LYS 223 Ca 0.12 -1.95 -0.02 0.00 -1.05 0.00 0.00 58.31 55.41 3d7d n LYS 223 Cb 0.47 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.39 3d7d n LYS 223 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3d7d s GLY 224 N -1.68 -0.30 -0.02 2.58 0.00 -1.25 -4.28 107.32 102.37 3d7d s GLY 224 Ca 0.29 1.51 0.02 0.00 0.00 0.00 0.00 44.72 46.53 3d7d s GLY 224 CO 0.28 0.48 -0.05 0.14 0.00 0.00 0.00 173.10 173.94 3d7d s VAL 225 N -2.30 0.51 -0.21 1.40 1.01 -0.21 -1.60 120.40 119.00 3d7d s VAL 225 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3d7d s VAL 225 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3d7d s VAL 225 CO -0.04 0.18 -0.08 -0.63 0.00 0.00 0.00 175.10 174.53 3d7d s ILE 226 N 0.33 2.98 -0.11 2.22 1.01 0.53 -1.83 121.20 126.33 3d7d s ILE 226 Ca -0.04 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3d7d s ILE 226 Cb -0.08 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3d7d s ILE 226 CO -0.00 0.42 0.10 -0.76 0.00 0.00 0.00 174.94 174.71 3d7d s LEU 227 N 1.41 4.18 0.05 2.97 1.43 -0.53 -1.23 118.68 126.96 3d7d s LEU 227 Ca 0.05 0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.50 3d7d s LEU 227 Cb -0.14 -2.00 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3d7d s LEU 227 CO -0.06 0.40 0.05 -0.72 0.23 0.00 0.00 176.35 176.25 3d7d s TYR 228 N -0.99 0.33 -0.41 0.29 -0.85 -0.72 -0.69 117.35 114.31 3d7d s TYR 228 Ca 0.15 -0.74 -0.20 0.00 -0.52 0.00 0.00 57.07 55.75 3d7d s TYR 228 Cb -0.12 -0.23 0.02 0.00 0.38 0.00 0.00 41.96 42.00 3d7d s TYR 228 CO 0.04 -0.38 0.61 -1.12 -1.52 0.00 0.00 175.55 173.18 3d7d s SER 229 N -2.48 6.34 0.19 -0.18 0.01 -1.10 -0.50 113.70 115.98 3d7d s SER 229 Ca 0.00 -0.21 -0.27 0.00 1.31 0.00 0.00 55.95 56.78 3d7d s SER 229 Cb 0.02 -2.31 -0.08 0.00 0.21 0.00 0.00 66.02 63.86 3d7d s SER 229 CO -0.07 -0.69 0.84 -0.62 0.41 0.00 0.00 173.24 173.11 3d7d s ASP 230 N 1.91 7.48 0.65 2.44 2.15 -1.26 -3.93 116.67 126.12 3d7d s ASP 230 Ca 0.22 1.76 0.39 0.00 0.43 0.00 0.00 52.55 55.34 3d7d s ASP 230 Cb -0.14 -2.54 2.14 0.00 -0.30 0.00 0.00 42.92 42.07 3d7d s ASP 230 CO 0.17 0.17 2.26 -0.65 -0.17 0.00 0.00 175.17 176.95 3d7d h PRO 231 N 4.36 0.00 -0.55 4.34 0.11 -1.93 -0.28 132.00 138.05 3d7d h PRO 231 Ca -0.46 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3d7d h PRO 231 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3d7d h PRO 231 CO 0.67 0.00 0.36 0.00 -0.21 0.00 0.00 178.00 178.82 3d7d h ALA 232 N 1.87 1.80 0.00 -0.75 0.00 -1.92 -0.32 119.26 119.93 3d7d h ALA 232 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3d7d h ALA 232 Cb 0.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3d7d h ALA 232 CO -0.00 0.12 -1.97 -0.25 0.00 0.00 0.00 179.25 177.15 3d7d n ASP 233 N -4.47 0.70 -0.08 0.00 8.00 -0.38 -4.61 116.55 115.70 3d7d n ASP 233 Ca 0.07 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.61 3d7d n ASP 233 Cb 0.20 1.56 0.05 0.00 -0.02 0.00 0.00 41.12 42.90 3d7d n ASP 233 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3d7d n TYR 234 N -2.31 0.00 -3.61 1.24 4.02 -0.26 -4.85 117.16 111.39 3d7d n TYR 234 Ca -0.12 -0.57 -0.29 0.00 -0.01 0.00 0.00 57.90 56.91 3d7d n TYR 234 Cb 0.68 -0.08 -0.15 0.00 -0.02 0.00 0.00 39.34 39.76 3d7d n TYR 234 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 3d7d s PHE 235 N -1.46 0.78 0.07 -0.72 5.36 -0.14 -3.01 117.98 118.86 3d7d s PHE 235 Ca 0.12 -1.11 -0.31 0.00 -0.96 0.00 0.00 56.93 54.67 3d7d s PHE 235 Cb 0.10 -1.15 -0.07 0.00 -0.34 0.00 0.00 43.02 41.57 3d7d s PHE 235 CO 0.01 -0.82 1.33 0.00 -1.46 0.00 0.00 175.22 174.29 3d7d s ALA 236 N 1.94 3.53 0.19 11.12 0.00 -1.26 -4.73 121.76 132.54 3d7d s ALA 236 Ca 0.08 0.98 -0.33 0.00 0.00 0.00 0.00 51.96 52.70 3d7d s ALA 236 Cb -0.16 -3.52 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 3d7d s ALA 236 CO -0.30 -0.62 1.34 -2.30 0.00 0.00 0.00 175.76 173.88 3d7d n PRO 237 N 4.24 1.66 -0.75 0.00 -0.02 -1.26 -2.89 135.00 135.98 3d7d n PRO 237 Ca 0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3d7d n PRO 237 Cb 0.44 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3d7d n PRO 237 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d7d n GLY 238 N 2.33 0.82 3.48 -1.23 0.00 -1.26 -5.04 105.19 104.29 3d7d n GLY 238 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3d7d n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d7d s VAL 239 N -3.15 2.90 0.35 1.61 1.01 -1.14 -5.12 120.40 116.85 3d7d s VAL 239 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 61.98 60.59 3d7d s VAL 239 Cb 0.00 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 3d7d s VAL 239 CO 0.00 0.24 0.71 -0.54 0.00 0.00 0.00 175.10 175.51 3d7d s LYS 240 N -1.74 3.83 0.70 2.72 -0.14 -1.26 -4.81 119.74 119.04 3d7d s LYS 240 Ca 0.16 0.46 -0.16 0.00 -1.36 0.00 0.00 55.97 55.07 3d7d s LYS 240 Cb -0.11 -2.46 0.01 0.00 -1.68 0.00 0.00 37.83 33.60 3d7d s LYS 240 CO 0.08 0.09 1.14 0.43 -0.76 0.00 0.00 175.35 176.32 3d7d n SER 241 N -0.84 1.21 -4.67 2.83 7.64 -1.26 -2.29 113.62 116.24 3d7d n SER 241 Ca 0.02 0.73 -0.42 0.00 1.01 0.00 0.00 58.87 60.21 3d7d n SER 241 Cb 0.54 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.22 3d7d n SER 241 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3d7d s TYR 242 N -1.68 1.87 -0.44 1.43 5.04 -0.31 -1.49 117.35 121.76 3d7d s TYR 242 Ca 0.77 -0.04 0.04 0.00 -2.44 0.00 0.00 57.07 55.40 3d7d s TYR 242 Cb -0.35 -4.09 0.01 0.00 0.35 0.00 0.00 41.96 37.87 3d7d s TYR 242 CO 0.46 -4.63 0.47 -0.35 -1.34 0.00 0.00 175.55 170.16 3d7d n PRO 243 N 6.66 1.92 0.00 4.97 -0.05 -1.26 -4.78 135.00 142.45 3d7d n PRO 243 Ca 0.18 -0.48 0.10 0.00 -0.05 0.00 0.00 63.50 63.25 3d7d n PRO 243 Cb 0.41 -0.94 -0.05 0.00 -0.05 0.00 0.00 33.50 32.86 3d7d n PRO 243 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3d7d n ASP 244 N -0.25 1.51 -0.76 3.54 8.00 -0.56 -4.99 116.55 123.05 3d7d n ASP 244 Ca 0.02 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.26 3d7d n ASP 244 Cb 0.10 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 3d7d n ASP 244 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d7d n GLY 245 N 1.42 2.05 1.36 0.44 0.00 -0.88 -4.69 105.19 104.90 3d7d n GLY 245 Ca 0.07 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.26 3d7d n GLY 245 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3d7d n TRP 246 N 0.00 1.08 -2.06 1.61 4.27 -1.08 -2.96 117.44 118.31 3d7d n TRP 246 Ca 0.00 -0.54 -0.30 0.00 -3.89 0.00 0.00 57.50 52.78 3d7d n TRP 246 Cb 0.00 -0.07 0.01 0.00 -1.36 0.00 0.00 31.31 29.89 3d7d n TRP 246 CO 0.00 0.00 0.00 -0.80 -2.29 0.00 0.00 177.69 174.60 3d7d s ASN 247 N -0.99 6.10 -0.11 -0.67 0.01 -0.97 -4.30 114.94 114.01 3d7d s ASN 247 Ca 0.48 1.24 -0.26 0.00 -0.71 0.00 0.00 52.86 53.61 3d7d s ASN 247 Cb 0.27 -2.31 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 3d7d s ASN 247 CO 0.29 -0.88 0.86 -0.22 -1.51 0.00 0.00 177.10 175.64 3d7d s LEU 248 N -5.10 4.25 0.77 0.60 2.96 -1.16 -1.17 118.68 119.83 3d7d s LEU 248 Ca 0.54 1.32 -0.11 0.00 -0.22 0.00 0.00 54.13 55.65 3d7d s LEU 248 Cb -0.11 -3.31 0.06 0.00 0.50 0.00 0.00 46.19 43.32 3d7d s LEU 248 CO 0.51 -0.33 1.08 -2.16 -1.32 0.00 0.00 176.35 174.14 3d7d s PRO 249 N 1.68 2.27 0.37 0.98 0.05 -1.26 -4.87 135.00 134.22 3d7d s PRO 249 Ca 0.42 0.88 0.27 0.00 0.05 0.00 0.00 61.00 62.63 3d7d s PRO 249 Cb -0.18 -1.92 1.22 0.00 0.05 0.00 0.00 34.50 33.67 3d7d s PRO 249 CO 0.17 -1.55 1.82 0.78 0.05 0.00 0.00 177.00 178.27 3d7d h GLY 250 N -1.05 0.00 -0.02 0.56 0.00 -1.97 -0.08 103.07 100.51 3d7d h GLY 250 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3d7d h GLY 250 CO 0.56 0.00 -0.39 0.61 0.00 0.00 0.00 176.54 177.32 3d7d n GLY 251 N -0.31 -0.54 3.79 4.60 0.00 -1.26 -1.79 105.19 109.68 3d7d n GLY 251 Ca 0.01 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3d7d n GLY 251 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d7d s GLY 252 N -2.58 2.63 -0.05 -0.02 0.00 -0.05 -4.57 107.32 102.68 3d7d s GLY 252 Ca 0.20 0.71 -0.06 0.00 0.00 0.00 0.00 44.72 45.57 3d7d s GLY 252 CO 0.58 1.08 0.16 0.14 0.00 0.00 0.00 173.10 175.06 3d7d s VAL 253 N -1.80 0.02 -0.34 1.40 1.01 -1.26 -3.73 120.40 115.70 3d7d s VAL 253 Ca 0.65 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.33 3d7d s VAL 253 Cb -0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 3d7d s VAL 253 CO 0.25 -0.08 0.38 -1.58 0.00 0.00 0.00 175.10 174.08 3d7d s GLN 254 N -0.21 3.62 0.90 2.72 0.74 -1.26 -4.03 119.66 122.13 3d7d s GLN 254 Ca -0.03 -0.33 -0.12 0.00 0.05 0.00 0.00 55.36 54.93 3d7d s GLN 254 Cb -0.02 -3.79 0.13 0.00 1.10 0.00 0.00 33.01 30.43 3d7d s GLN 254 CO 0.00 -0.51 1.11 1.03 -0.55 0.00 0.00 175.29 176.37 3d7d s ARG 255 N 2.08 1.25 0.00 1.67 0.52 -0.82 -4.83 118.95 118.82 3d7d s ARG 255 Ca 0.13 0.49 0.00 0.00 -0.52 0.00 0.00 55.73 55.83 3d7d s ARG 255 Cb -0.16 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.47 3d7d s ARG 255 CO 0.12 -2.17 0.00 0.41 0.02 0.00 0.00 175.30 173.68 3d7d n GLY 256 N -1.82 3.67 3.81 -3.53 0.00 -1.24 -4.83 105.19 101.26 3d7d n GLY 256 Ca 0.06 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 3d7d n GLY 256 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d7d s ASN 257 N 0.00 5.79 -0.15 1.61 2.20 -1.26 -2.82 114.94 120.31 3d7d s ASN 257 Ca 0.00 1.72 0.15 0.00 -0.94 0.00 0.00 52.86 53.79 3d7d s ASN 257 Cb 0.00 -2.52 0.40 0.00 -2.00 0.00 0.00 41.25 37.13 3d7d s ASN 257 CO 0.00 -1.16 1.20 2.30 -2.94 0.00 0.00 177.10 176.49 3d7d n ILE 258 N -2.29 1.63 -1.55 0.54 -5.35 -1.05 -4.38 119.36 106.90 3d7d n ILE 258 Ca 0.08 -2.57 -0.31 0.00 -0.27 0.00 0.00 62.75 59.68 3d7d n ILE 258 Cb 0.53 0.06 0.05 0.00 -1.74 0.00 0.00 39.64 38.54 3d7d n ILE 258 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3d7d s LEU 259 N -2.39 3.13 -0.59 7.28 1.43 -1.26 -4.61 118.68 121.66 3d7d s LEU 259 Ca 0.35 1.64 0.06 0.00 -1.03 0.00 0.00 54.13 55.15 3d7d s LEU 259 Cb 0.36 -4.50 0.20 0.00 0.03 0.00 0.00 46.19 42.28 3d7d s LEU 259 CO -0.08 -1.50 0.55 0.59 0.23 0.00 0.00 176.35 176.14 3d7d n ASN 260 N -3.15 2.28 0.16 2.29 3.02 -0.49 -4.55 115.26 114.82 3d7d n ASN 260 Ca 0.08 -3.07 0.12 0.00 -0.03 0.00 0.00 54.58 51.67 3d7d n ASN 260 Cb 0.53 -0.68 0.10 0.00 -0.61 0.00 0.00 39.78 39.12 3d7d n ASN 260 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3d7d h LEU 261 N 4.87 0.00 -1.08 3.41 3.38 -1.88 -3.36 115.31 120.65 3d7d h LEU 261 Ca 0.18 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.60 3d7d h LEU 261 Cb 0.77 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.33 3d7d h LEU 261 CO 0.66 0.00 -0.82 0.59 0.09 0.00 0.00 178.44 178.96 3d7d n ASN 262 N -2.86 -3.56 0.00 -0.43 3.02 -1.26 -1.55 115.26 108.62 3d7d n ASN 262 Ca 0.02 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.59 3d7d n ASN 262 Cb 0.53 -2.92 0.00 0.00 -0.61 0.00 0.00 39.78 36.78 3d7d n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d7d n GLY 263 N -1.43 0.72 0.22 7.41 0.00 -1.26 -4.32 105.19 106.52 3d7d n GLY 263 Ca 0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 3d7d n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7d h ALA 264 N 0.00 0.95 0.00 4.61 0.00 -1.65 -3.47 119.26 119.70 3d7d h ALA 264 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3d7d h ALA 264 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3d7d h ALA 264 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 3d7d n GLY 265 N 0.49 -0.13 3.64 0.00 0.00 -1.26 -4.39 105.19 103.54 3d7d n GLY 265 Ca 0.01 -1.17 -0.55 0.00 0.00 0.00 0.00 46.02 44.31 3d7d n GLY 265 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3d7d n ASP 266 N 1.60 1.86 0.10 1.61 2.03 -1.26 -4.81 116.55 117.68 3d7d n ASP 266 Ca 0.00 1.10 0.20 0.00 0.52 0.00 0.00 54.79 56.61 3d7d n ASP 266 Cb 0.00 -1.15 0.76 0.00 -0.72 0.00 0.00 41.12 40.01 3d7d n ASP 266 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3d7d h PRO 267 N 5.58 0.00 0.00 -0.67 0.11 -1.88 -2.73 132.00 132.41 3d7d h PRO 267 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d7d h PRO 267 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 3d7d h PRO 267 CO 0.85 0.00 -0.63 1.28 -0.21 0.00 0.00 178.00 179.30 3d7d n LEU 268 N -3.85 0.58 -2.62 2.35 4.77 -1.26 -1.35 117.00 115.62 3d7d n LEU 268 Ca 0.06 0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 3d7d n LEU 268 Cb 0.55 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3d7d n LEU 268 CO 0.29 0.06 -0.05 0.35 -1.33 0.00 0.00 177.39 176.71 3d7d n THR 269 N -1.76 1.30 -1.84 -5.08 -2.24 -1.03 -1.10 114.28 102.52 3d7d n THR 269 Ca 0.04 -3.47 -0.42 0.00 -2.27 0.00 0.00 64.05 57.94 3d7d n THR 269 Cb 0.38 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 3d7d n THR 269 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3d7d s PRO 270 N -3.22 4.18 0.00 -0.78 0.04 -1.25 -2.09 135.00 131.87 3d7d s PRO 270 Ca 0.32 2.46 0.00 0.00 0.04 0.00 0.00 61.00 63.81 3d7d s PRO 270 Cb 0.45 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.66 3d7d s PRO 270 CO -0.01 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.72 3d7d n GLY 271 N 3.95 3.36 2.98 0.56 0.00 -1.26 -5.04 105.19 109.74 3d7d n GLY 271 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 3d7d n GLY 271 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3d7d s TYR 272 N -2.93 0.29 0.44 1.61 2.02 -0.89 -4.98 117.35 112.91 3d7d s TYR 272 Ca 0.00 -0.48 -0.24 0.00 -0.37 0.00 0.00 57.07 55.98 3d7d s TYR 272 Cb 0.00 -0.20 -0.08 0.00 -0.40 0.00 0.00 41.96 41.28 3d7d s TYR 272 CO 0.00 -0.16 1.20 -1.25 -1.57 0.00 0.00 175.55 173.77 3d7d s PRO 273 N -1.35 3.86 -1.53 -1.71 0.04 -1.26 -4.82 135.00 128.23 3d7d s PRO 273 Ca -0.14 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 3d7d s PRO 273 Cb -0.09 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 3d7d s PRO 273 CO -0.01 -0.50 2.62 0.00 0.04 0.00 0.00 177.00 179.15 3d7d n ALA 274 N -0.23 6.74 -1.53 8.56 0.00 -1.26 -4.76 120.51 128.04 3d7d n ALA 274 Ca 0.06 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.76 3d7d n ALA 274 Cb 0.47 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.57 3d7d n ALA 274 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3d7d n ASN 275 N 4.20 0.00 0.03 0.00 0.23 -1.26 -1.48 115.26 116.98 3d7d n ASN 275 Ca 0.67 -0.67 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 3d7d n ASN 275 Cb 0.29 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.25 3d7d n ASN 275 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3d7d h GLU 276 N 0.00 0.44 -0.49 -3.83 4.57 -1.92 -2.98 114.58 110.37 3d7d h GLU 276 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3d7d h GLU 276 Cb 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3d7d h GLU 276 CO 0.00 0.60 0.00 2.48 -1.18 0.00 0.00 179.01 180.91 3d7d n TYR 277 N -4.18 1.02 -1.76 0.92 0.18 -1.26 -5.02 117.16 107.05 3d7d n TYR 277 Ca 0.00 -0.61 -0.41 0.00 1.88 0.00 0.00 57.90 58.76 3d7d n TYR 277 Cb 0.34 -0.16 0.01 0.00 -0.38 0.00 0.00 39.34 39.15 3d7d n TYR 277 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3d7d n ALA 278 N 0.69 2.14 -2.71 -3.48 0.00 -1.13 -4.97 120.51 111.05 3d7d n ALA 278 Ca 0.20 0.30 -0.39 0.00 0.00 0.00 0.00 53.44 53.55 3d7d n ALA 278 Cb 0.72 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 3d7d n ALA 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3d7d s TYR 279 N -1.15 3.54 -0.07 0.00 5.04 -1.26 -4.99 117.35 118.45 3d7d s TYR 279 Ca 0.57 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 56.36 3d7d s TYR 279 Cb -0.47 -2.76 -0.03 0.00 0.35 0.00 0.00 41.96 39.05 3d7d s TYR 279 CO 0.61 0.07 -0.06 1.03 -1.34 0.00 0.00 175.55 175.85 3d7d s ARG 280 N 0.92 2.82 0.66 4.97 0.52 -1.26 -4.77 118.95 122.81 3d7d s ARG 280 Ca 0.35 -0.53 -0.18 0.00 -0.52 0.00 0.00 55.73 54.85 3d7d s ARG 280 Cb -0.17 -2.63 -0.00 0.00 0.52 0.00 0.00 34.95 32.66 3d7d s ARG 280 CO 0.16 0.65 1.28 1.03 0.02 0.00 0.00 175.30 178.44 3d7d s ARG 281 N -0.77 2.50 0.65 3.54 0.52 -0.26 -5.01 118.95 120.13 3d7d s ARG 281 Ca 0.12 2.01 -0.15 0.00 -0.52 0.00 0.00 55.73 57.18 3d7d s ARG 281 Cb -0.11 -1.85 -0.00 0.00 0.52 0.00 0.00 34.95 33.51 3d7d s ARG 281 CO 0.02 -1.62 1.11 0.20 0.02 0.00 0.00 175.30 175.03 3d7d s GLY 282 N -1.50 2.17 0.33 -3.53 0.00 -1.26 -4.85 107.32 98.68 3d7d s GLY 282 Ca 0.81 0.55 0.10 0.00 0.00 0.00 0.00 44.72 46.18 3d7d s GLY 282 CO 0.40 0.90 1.75 -2.22 0.00 0.00 0.00 173.10 173.93 3d7d h ILE 283 N 0.07 0.58 0.00 0.90 1.08 -1.98 -0.17 117.51 117.99 3d7d h ILE 283 Ca -0.47 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3d7d h ILE 283 Cb 1.25 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 3d7d h ILE 283 CO 0.54 0.11 -0.00 0.00 -0.69 0.00 0.00 178.15 178.11 3d7d h ALA 284 N 1.69 1.00 -0.27 1.87 0.00 -2.03 -1.78 119.26 119.75 3d7d h ALA 284 Ca 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3d7d h ALA 284 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3d7d h ALA 284 CO -0.42 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.22 3d7d n GLU 285 N -3.09 2.05 -1.38 0.00 4.71 -0.13 -5.02 120.64 117.77 3d7d n GLU 285 Ca -0.01 -1.88 -0.35 0.00 -0.01 0.00 0.00 57.16 54.91 3d7d n GLU 285 Cb 0.23 -1.35 0.10 0.00 -1.01 0.00 0.00 31.44 29.42 3d7d n GLU 285 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3d7d n ALA 286 N 0.92 0.49 -2.58 0.62 0.00 -0.67 -4.91 120.51 114.38 3d7d n ALA 286 Ca 0.13 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.99 3d7d n ALA 286 Cb 0.45 -2.28 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 3d7d n ALA 286 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3d7d s VAL 287 N -1.79 4.92 0.00 0.00 1.01 -0.45 -4.52 120.40 119.56 3d7d s VAL 287 Ca 0.78 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.26 3d7d s VAL 287 Cb -0.33 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 31.99 3d7d s VAL 287 CO 0.46 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.48 3d7d n GLY 288 N 2.77 0.79 3.75 4.51 0.00 -1.26 -4.60 105.19 111.14 3d7d n GLY 288 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3d7d n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7d s LEU 289 N 0.00 4.59 0.59 0.99 1.02 -1.26 -1.40 118.68 123.21 3d7d s LEU 289 Ca 0.00 2.01 -0.16 0.00 0.02 0.00 0.00 54.13 56.00 3d7d s LEU 289 Cb 0.00 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.56 3d7d s LEU 289 CO 0.00 0.02 1.06 -2.16 0.02 0.00 0.00 176.35 175.29 3d7d s PRO 290 N -0.97 3.30 0.00 1.29 0.04 -1.26 -4.97 135.00 132.43 3d7d s PRO 290 Ca 0.44 1.25 0.19 0.00 0.04 0.00 0.00 61.00 62.91 3d7d s PRO 290 Cb -0.27 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3d7d s PRO 290 CO 0.34 -0.83 1.00 -1.13 0.04 0.00 0.00 177.00 176.42 3d7d n SER 291 N -1.97 2.08 -4.19 6.66 3.41 -1.26 -4.44 113.62 113.91 3d7d n SER 291 Ca 0.09 -1.54 -0.22 0.00 -0.26 0.00 0.00 58.87 56.94 3d7d n SER 291 Cb 0.53 0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 64.65 3d7d n SER 291 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3d7d s ILE 292 N -1.94 1.32 0.49 -1.33 -4.36 -1.26 -4.96 121.20 109.16 3d7d s ILE 292 Ca 0.18 -1.12 -0.24 0.00 -0.26 0.00 0.00 60.65 59.21 3d7d s ILE 292 Cb 0.15 -1.18 -0.07 0.00 1.25 0.00 0.00 42.46 42.61 3d7d s ILE 292 CO 0.39 0.04 1.38 -2.84 0.24 0.00 0.00 174.94 174.14 3d7d s PRO 293 N -1.26 3.44 0.01 0.37 0.02 -1.26 -4.37 135.00 131.95 3d7d s PRO 293 Ca 0.03 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.34 3d7d s PRO 293 Cb -0.08 -2.46 -0.01 0.00 0.02 0.00 0.00 34.50 31.97 3d7d s PRO 293 CO 0.02 -0.96 -0.02 0.08 -0.33 0.00 0.00 177.00 175.79 3d7d s VAL 294 N -1.27 0.07 -0.19 3.83 1.01 -1.26 -1.04 120.40 121.56 3d7d s VAL 294 Ca 0.66 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 3d7d s VAL 294 Cb -0.41 -0.13 0.05 0.00 0.00 0.00 0.00 36.38 35.89 3d7d s VAL 294 CO 0.51 -0.19 0.49 -2.28 0.00 0.00 0.00 175.10 173.63 3d7d s HIS 295 N -0.58 -0.56 0.10 5.22 5.04 -0.76 -4.34 115.29 119.41 3d7d s HIS 295 Ca -0.06 1.34 0.01 0.00 -1.54 0.00 0.00 55.06 54.81 3d7d s HIS 295 Cb -0.04 0.21 -0.04 0.00 0.04 0.00 0.00 32.58 32.75 3d7d s HIS 295 CO -0.00 -0.28 0.25 -1.25 -2.34 0.00 0.00 174.74 171.12 3d7d s PRO 296 N 0.40 3.45 0.12 2.88 0.04 -1.26 -1.45 135.00 139.18 3d7d s PRO 296 Ca -0.01 -0.48 -0.04 0.00 0.04 0.00 0.00 61.00 60.51 3d7d s PRO 296 Cb -0.04 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 3d7d s PRO 296 CO -0.01 0.56 0.13 0.96 0.04 0.00 0.00 177.00 178.68 3d7d s ILE 297 N -1.62 0.12 0.79 0.56 -4.36 0.13 -4.79 121.20 112.03 3d7d s ILE 297 Ca 0.35 -1.63 -0.08 0.00 -0.26 0.00 0.00 60.65 59.03 3d7d s ILE 297 Cb -0.12 -1.78 0.12 0.00 1.25 0.00 0.00 42.46 41.93 3d7d s ILE 297 CO 0.28 -0.54 1.11 -0.83 0.24 0.00 0.00 174.94 175.20 3d7d s GLY 298 N -2.97 1.74 0.34 6.27 0.00 -1.24 -2.71 107.32 108.74 3d7d s GLY 298 Ca 0.16 -1.23 0.18 0.00 0.00 0.00 0.00 44.72 43.83 3d7d s GLY 298 CO -0.03 -0.66 1.51 0.10 0.00 0.00 0.00 173.10 174.02 3d7d h TYR 299 N -0.93 0.00 -0.28 1.90 -0.00 -1.63 -0.63 116.97 115.40 3d7d h TYR 299 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.31 3d7d h TYR 299 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.99 3d7d h TYR 299 CO -0.30 0.32 0.18 1.88 -0.00 0.00 0.00 178.16 180.25 3d7d h TYR 300 N 0.00 0.36 -0.49 0.10 0.05 -1.70 -0.88 116.97 114.41 3d7d h TYR 300 Ca -0.00 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 3d7d h TYR 300 Cb 1.24 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.84 3d7d h TYR 300 CO 0.00 0.23 -0.10 -0.44 -1.05 0.00 0.00 178.16 176.80 3d7d h ASP 301 N 0.38 0.88 -0.62 3.88 3.32 -1.75 -3.12 116.42 119.39 3d7d h ASP 301 Ca 0.10 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3d7d h ASP 301 Cb -0.04 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3d7d h ASP 301 CO -0.02 1.00 0.16 0.00 -1.72 0.00 0.00 179.24 178.66 3d7d h ALA 302 N 1.08 1.06 -0.58 3.45 0.00 -0.97 -2.52 119.26 120.79 3d7d h ALA 302 Ca 0.13 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3d7d h ALA 302 Cb 0.62 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3d7d h ALA 302 CO 0.04 0.62 0.27 0.37 0.00 0.00 0.00 179.25 180.55 3d7d h GLN 303 N 0.97 0.49 -0.65 0.00 5.75 -1.10 0.51 115.11 121.07 3d7d h GLN 303 Ca 0.21 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 3d7d h GLN 303 Cb 0.34 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3d7d h GLN 303 CO -0.00 0.32 0.32 0.87 -2.65 0.00 0.00 178.83 177.70 3d7d h LYS 304 N 0.50 0.91 0.01 1.69 1.79 -1.41 -0.28 116.57 119.79 3d7d h LYS 304 Ca 0.27 -0.11 -0.20 0.00 -2.18 0.00 0.00 60.65 58.43 3d7d h LYS 304 Cb 0.24 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 3d7d h LYS 304 CO -0.22 0.70 -0.92 -0.07 -1.08 0.00 0.00 179.45 177.85 3d7d h LEU 305 N 0.91 0.08 0.00 2.94 3.38 -0.87 -3.34 115.31 118.41 3d7d h LEU 305 Ca 0.23 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 3d7d h LEU 305 Cb 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3d7d h LEU 305 CO -0.03 0.95 -1.39 -0.07 0.09 0.00 0.00 178.44 177.99 3d7d h LEU 306 N 0.03 0.00 -1.64 1.67 3.38 -0.70 -3.39 115.31 114.65 3d7d h LEU 306 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3d7d h LEU 306 Cb 1.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3d7d h LEU 306 CO 0.13 0.72 -0.02 1.05 0.09 0.00 0.00 178.44 180.41 3d7d h GLU 307 N 0.00 0.20 -0.01 1.13 4.11 -1.17 -1.68 114.58 117.16 3d7d h GLU 307 Ca -0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3d7d h GLU 307 Cb 1.70 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3d7d h GLU 307 CO 0.06 0.24 -0.02 1.63 0.07 0.00 0.00 179.01 181.00 3d7d n LYS 308 N -4.40 1.32 -1.99 1.06 5.02 -1.26 -4.85 118.16 113.06 3d7d n LYS 308 Ca -0.01 -0.55 -0.42 0.00 -2.02 0.00 0.00 58.31 55.31 3d7d n LYS 308 Cb 0.17 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3d7d n LYS 308 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3d7d s MET 309 N -2.06 4.25 0.00 1.97 -1.94 -0.63 -0.70 119.30 120.19 3d7d s MET 309 Ca 0.40 2.31 0.00 0.00 -1.71 0.00 0.00 55.69 56.69 3d7d s MET 309 Cb 0.21 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.92 3d7d s MET 309 CO 0.36 -0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.29 3d7d n GLY 310 N 2.87 3.32 7.00 -0.03 0.00 0.31 -4.48 105.19 114.18 3d7d n GLY 310 Ca 0.10 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3d7d n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d7d n GLY 311 N 5.00 1.52 3.77 -0.02 0.00 -1.26 -1.23 105.19 112.96 3d7d n GLY 311 Ca 0.00 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3d7d n GLY 311 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d7d s SER 312 N -4.00 5.42 0.78 1.61 0.01 -1.19 -4.69 113.70 111.64 3d7d s SER 312 Ca 0.00 2.19 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 3d7d s SER 312 Cb 0.00 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.71 3d7d s SER 312 CO 0.00 -1.43 1.09 0.00 0.41 0.00 0.00 173.24 173.31 3d7d s ALA 313 N -1.86 2.27 0.37 1.44 0.00 -1.26 -1.08 121.76 121.64 3d7d s ALA 313 Ca 0.73 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 52.31 3d7d s ALA 313 Cb -0.25 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 19.62 3d7d s ALA 313 CO 0.32 -1.69 1.49 -0.35 0.00 0.00 0.00 175.76 175.53 3d7d n PRO 314 N -3.42 2.66 0.27 0.00 -0.04 -1.24 -4.54 135.00 128.70 3d7d n PRO 314 Ca 0.07 0.94 0.13 0.00 -0.04 0.00 0.00 63.50 64.60 3d7d n PRO 314 Cb 0.55 -2.67 0.74 0.00 -0.04 0.00 0.00 33.50 32.09 3d7d n PRO 314 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3d7d h PRO 315 N 3.11 0.00 -2.29 0.54 0.13 -1.94 -3.46 132.00 128.10 3d7d h PRO 315 Ca -0.50 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.86 3d7d h PRO 315 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 3d7d h PRO 315 CO 0.65 0.11 0.70 0.16 -0.23 0.00 0.00 178.00 179.39 3d7d s ASP 316 N -6.08 -0.01 0.45 1.44 1.47 -1.26 -5.05 116.67 107.62 3d7d s ASP 316 Ca -0.03 -0.46 0.24 0.00 1.18 0.00 0.00 52.55 53.49 3d7d s ASP 316 Cb 0.13 0.36 1.03 0.00 -0.34 0.00 0.00 42.92 44.10 3d7d s ASP 316 CO 0.58 -0.71 1.88 0.77 0.68 0.00 0.00 175.17 178.37 3d7d h SER 317 N 2.00 0.00 0.32 2.11 4.64 -1.96 -2.52 113.55 118.14 3d7d h SER 317 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3d7d h SER 317 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3d7d h SER 317 CO 0.33 0.22 0.00 -1.54 -0.87 0.00 0.00 176.83 174.97 3d7d n SER 318 N -3.48 0.00 0.01 4.97 3.41 -1.26 -1.53 113.62 115.74 3d7d n SER 318 Ca -0.00 0.48 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 3d7d n SER 318 Cb 0.39 -0.49 0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3d7d n SER 318 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3d7d n TRP 319 N -1.49 0.08 -3.31 7.33 7.02 -0.95 -4.91 117.44 121.21 3d7d n TRP 319 Ca 0.02 0.02 -0.39 0.00 -1.02 0.00 0.00 57.50 56.14 3d7d n TRP 319 Cb 0.11 -0.22 -0.07 0.00 -2.42 0.00 0.00 31.31 28.70 3d7d n TRP 319 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3d7d s ARG 320 N -3.07 4.15 0.00 -0.99 0.52 -0.58 -4.88 118.95 114.10 3d7d s ARG 320 Ca 0.08 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 3d7d s ARG 320 Cb 0.16 -3.58 0.00 0.00 0.52 0.00 0.00 34.95 32.05 3d7d s ARG 320 CO 0.79 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 176.37 3d7d n GLY 321 N 4.06 -0.26 0.99 -3.53 0.00 -1.26 -5.02 105.19 100.17 3d7d n GLY 321 Ca -0.06 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.38 3d7d n GLY 321 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d7d n SER 322 N 0.00 3.11 -4.85 1.61 7.64 -1.26 -4.94 113.62 114.92 3d7d n SER 322 Ca 0.00 -1.95 -0.31 0.00 1.01 0.00 0.00 58.87 57.62 3d7d n SER 322 Cb 0.00 -0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.09 3d7d n SER 322 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d7d s LEU 323 N -1.66 3.32 -1.38 -3.43 1.43 -1.26 -4.92 118.68 110.77 3d7d s LEU 323 Ca 0.31 1.50 -0.10 0.00 -1.03 0.00 0.00 54.13 54.81 3d7d s LEU 323 Cb 0.20 -4.48 0.09 0.00 0.03 0.00 0.00 46.19 42.03 3d7d s LEU 323 CO 0.29 -0.90 2.21 0.29 0.23 0.00 0.00 176.35 178.47 3d7d n LYS 324 N -2.51 3.63 -4.08 1.70 4.76 -1.26 -4.83 118.16 115.58 3d7d n LYS 324 Ca 0.06 -3.11 -0.08 0.00 -2.87 0.00 0.00 58.31 52.31 3d7d n LYS 324 Cb 0.54 -2.94 -0.10 0.00 -1.84 0.00 0.00 35.03 30.69 3d7d n LYS 324 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3d7d s VAL 325 N 1.02 0.17 0.05 -0.18 -7.23 -1.26 -5.00 120.40 107.97 3d7d s VAL 325 Ca 0.48 -1.75 0.25 0.00 -1.81 0.00 0.00 61.98 59.15 3d7d s VAL 325 Cb 0.14 -1.66 0.26 0.00 0.56 0.00 0.00 36.38 35.68 3d7d s VAL 325 CO -0.05 -0.79 1.80 1.55 -0.31 0.00 0.00 175.10 177.31 3d7d h PRO 326 N 3.00 0.00 -3.54 4.82 0.13 -1.88 -3.47 132.00 131.07 3d7d h PRO 326 Ca -0.34 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.46 3d7d h PRO 326 Cb 1.17 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.34 3d7d h PRO 326 CO 0.62 0.18 -0.48 0.66 -0.23 0.00 0.00 178.00 178.76 3d7d n TYR 327 N -3.29 -1.50 -1.79 1.56 4.01 -1.26 -4.62 117.16 110.27 3d7d n TYR 327 Ca 0.01 0.38 -0.40 0.00 -0.16 0.00 0.00 57.90 57.73 3d7d n TYR 327 Cb 0.44 -3.77 0.02 0.00 -0.31 0.00 0.00 39.34 35.72 3d7d n TYR 327 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3d7d s ASN 328 N -2.72 5.75 0.38 7.72 0.01 -1.26 -3.62 114.94 121.19 3d7d s ASN 328 Ca 0.22 2.90 0.23 0.00 -0.71 0.00 0.00 52.86 55.50 3d7d s ASN 328 Cb -0.10 -2.65 0.34 0.00 0.41 0.00 0.00 41.25 39.25 3d7d s ASN 328 CO 0.27 -1.26 1.54 0.58 -1.51 0.00 0.00 177.10 176.72 3d7d h VAL 329 N 2.13 0.00 -0.82 1.60 2.07 -1.26 -3.41 116.25 116.57 3d7d h VAL 329 Ca -0.51 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3d7d h VAL 329 Cb 1.27 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 3d7d h VAL 329 CO 0.60 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.80 3d7d n GLY 330 N 1.14 -0.21 3.74 2.17 0.00 -0.37 -1.61 105.19 110.06 3d7d n GLY 330 Ca 0.04 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.67 3d7d n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d7d s PRO 331 N 0.00 3.25 0.23 1.61 0.05 -1.26 -3.19 135.00 135.69 3d7d s PRO 331 Ca 0.00 -0.31 0.00 0.00 0.05 0.00 0.00 61.00 60.74 3d7d s PRO 331 Cb 0.00 -2.97 0.00 0.00 0.05 0.00 0.00 34.50 31.58 3d7d s PRO 331 CO 0.00 0.68 0.00 0.41 0.05 0.00 0.00 177.00 178.14 3d7d n GLY 332 N 2.24 -2.30 3.95 0.56 0.00 0.10 -4.37 105.19 105.37 3d7d n GLY 332 Ca -0.19 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.05 3d7d n GLY 332 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d7d s PHE 333 N -0.76 3.48 0.72 1.61 2.99 -1.26 -0.53 117.98 124.23 3d7d s PHE 333 Ca 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 56.93 56.99 3d7d s PHE 333 Cb 0.00 -1.77 0.03 0.00 0.00 0.00 0.00 43.02 41.29 3d7d s PHE 333 CO 0.00 0.30 1.22 0.95 -0.00 0.00 0.00 175.22 177.69 3d7d s THR 334 N -2.09 2.25 0.04 0.64 -4.23 0.12 -4.25 115.64 108.12 3d7d s THR 334 Ca 0.37 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.97 3d7d s THR 334 Cb -0.10 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.03 3d7d s THR 334 CO 0.32 -0.06 0.31 0.61 -0.54 0.00 0.00 174.62 175.26 3d7d n GLY 335 N 0.49 -0.43 0.31 3.99 0.00 -1.26 -0.38 105.19 107.91 3d7d n GLY 335 Ca 0.14 0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.44 3d7d n GLY 335 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3d7d h ASN 336 N 0.00 0.43 -0.36 1.61 2.35 -1.99 -2.57 115.58 115.05 3d7d h ASN 336 Ca 0.06 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3d7d h ASN 336 Cb 0.11 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3d7d h ASN 336 CO -0.20 0.30 0.00 0.49 -1.65 0.00 0.00 177.43 176.37 3d7d n PHE 337 N -4.48 0.70 0.32 1.19 3.01 0.49 -4.71 117.46 113.98 3d7d n PHE 337 Ca 0.04 -0.62 0.13 0.00 1.01 0.00 0.00 57.45 58.02 3d7d n PHE 337 Cb 0.12 -0.13 0.70 0.00 -0.01 0.00 0.00 39.48 40.16 3d7d n PHE 337 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3d7d h SER 338 N 2.19 0.00 -0.00 4.37 4.64 -1.01 0.21 113.55 123.96 3d7d h SER 338 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d7d h SER 338 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3d7d h SER 338 CO 0.08 0.00 -0.84 0.35 -0.87 0.00 0.00 176.83 175.55 3d7d n THR 339 N -2.79 0.00 -2.35 2.95 -2.24 -1.26 -4.79 114.28 103.79 3d7d n THR 339 Ca -0.02 -0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.33 3d7d n THR 339 Cb 0.44 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 3d7d n THR 339 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3d7d s GLN 340 N -2.73 3.66 0.32 -0.78 -0.21 0.06 -4.08 119.66 115.90 3d7d s GLN 340 Ca 0.08 1.60 0.03 0.00 0.02 0.00 0.00 55.36 57.09 3d7d s GLN 340 Cb 0.15 -2.20 -0.06 0.00 1.00 0.00 0.00 33.01 31.90 3d7d s GLN 340 CO 0.75 -0.59 0.08 0.15 -2.12 0.00 0.00 175.29 173.55 3d7d s LYS 341 N -3.01 1.63 -0.10 2.91 1.02 -0.40 -4.82 119.74 116.97 3d7d s LYS 341 Ca 0.67 -1.92 -0.02 0.00 0.02 0.00 0.00 55.97 54.73 3d7d s LYS 341 Cb -0.23 -0.71 -0.03 0.00 -0.52 0.00 0.00 37.83 36.34 3d7d s LYS 341 CO 0.28 -0.25 -0.02 0.08 -0.92 0.00 0.00 175.35 174.52 3d7d s VAL 342 N -3.39 4.09 -0.08 3.17 1.01 -0.03 -0.92 120.40 124.26 3d7d s VAL 342 Ca 0.35 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.03 3d7d s VAL 342 Cb 0.08 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3d7d s VAL 342 CO 0.15 0.57 -0.10 -0.75 0.00 0.00 0.00 175.10 174.97 3d7d s LYS 343 N -0.48 1.52 0.17 2.72 2.20 0.27 -0.77 119.74 125.37 3d7d s LYS 343 Ca 0.08 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 3d7d s LYS 343 Cb -0.12 -1.37 -0.05 0.00 -1.51 0.00 0.00 37.83 34.78 3d7d s LYS 343 CO 0.02 -0.07 0.40 -1.64 -0.36 0.00 0.00 175.35 173.70 3d7d s MET 344 N 1.00 3.60 -0.29 4.03 -1.94 -0.46 -0.23 119.30 125.01 3d7d s MET 344 Ca -0.09 -0.12 -0.02 0.00 -1.71 0.00 0.00 55.69 53.76 3d7d s MET 344 Cb -0.15 -2.83 0.10 0.00 2.01 0.00 0.00 34.83 33.96 3d7d s MET 344 CO -0.00 0.43 0.10 -1.01 -0.01 0.00 0.00 175.02 174.53 3d7d s HIS 345 N -1.74 1.33 -0.14 -0.03 0.09 0.28 -3.93 115.29 111.16 3d7d s HIS 345 Ca 0.41 -1.46 0.02 0.00 -0.00 0.00 0.00 55.06 54.03 3d7d s HIS 345 Cb -0.12 -1.47 0.01 0.00 -0.00 0.00 0.00 32.58 31.01 3d7d s HIS 345 CO 0.26 -0.84 -0.21 0.42 -0.00 0.00 0.00 174.74 174.36 3d7d s ILE 346 N 1.75 1.99 -0.03 0.60 -1.09 -0.49 -1.88 121.20 122.05 3d7d s ILE 346 Ca 0.09 -0.94 0.05 0.00 -2.23 0.00 0.00 60.65 57.62 3d7d s ILE 346 Cb -0.17 -1.77 0.07 0.00 -1.58 0.00 0.00 42.46 39.02 3d7d s ILE 346 CO -0.26 0.54 0.94 1.41 -1.23 0.00 0.00 174.94 176.33 3d7d n HIS 347 N 4.12 0.00 -1.20 3.97 8.25 -1.26 -1.34 115.22 127.76 3d7d n HIS 347 Ca -0.20 -0.31 -0.33 0.00 -0.26 0.00 0.00 57.72 56.61 3d7d n HIS 347 Cb 0.51 -0.07 0.12 0.00 1.12 0.00 0.00 29.99 31.68 3d7d n HIS 347 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3d7d s SER 348 N -1.27 3.78 0.05 0.41 0.01 -1.26 -4.14 113.70 111.28 3d7d s SER 348 Ca 0.08 2.33 0.06 0.00 1.31 0.00 0.00 55.95 59.73 3d7d s SER 348 Cb 0.07 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 3d7d s SER 348 CO 0.01 -2.54 -0.16 0.42 0.41 0.00 0.00 173.24 171.38 3d7d s THR 349 N -2.16 1.28 -0.04 1.44 -4.23 -0.43 -4.53 115.64 106.98 3d7d s THR 349 Ca 0.73 -1.16 -0.13 0.00 -1.18 0.00 0.00 61.69 59.95 3d7d s THR 349 Cb -0.28 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.34 3d7d s THR 349 CO 0.49 -0.01 0.33 0.20 -0.54 0.00 0.00 174.62 175.09 3d7d s ASN 350 N -1.36 6.69 -0.15 3.99 0.01 -1.26 -1.58 114.94 121.27 3d7d s ASN 350 Ca 0.02 0.82 -0.08 0.00 -0.71 0.00 0.00 52.86 52.91 3d7d s ASN 350 Cb -0.09 -2.20 0.06 0.00 0.41 0.00 0.00 41.25 39.43 3d7d s ASN 350 CO 0.02 0.34 0.37 -1.61 -1.51 0.00 0.00 177.10 174.71 3d7d s GLU 351 N -1.02 0.34 0.03 -0.60 0.41 0.50 -4.96 118.70 113.40 3d7d s GLU 351 Ca 0.21 0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 55.19 3d7d s GLU 351 Cb -0.15 -0.04 -0.06 0.00 -1.78 0.00 0.00 34.13 32.09 3d7d s GLU 351 CO 0.11 -0.16 1.34 0.08 -0.49 0.00 0.00 175.26 176.13 3d7d s VAL 352 N 1.39 3.73 -0.01 2.63 1.01 -1.26 -1.03 120.40 126.88 3d7d s VAL 352 Ca -0.09 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 3d7d s VAL 352 Cb -0.09 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3d7d s VAL 352 CO -0.12 0.04 0.07 -0.89 0.00 0.00 0.00 175.10 174.20 3d7d s THR 353 N 1.80 0.06 0.24 3.92 2.01 0.32 -4.89 115.64 119.10 3d7d s THR 353 Ca 0.62 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.87 3d7d s THR 353 Cb -0.32 -0.25 -0.09 0.00 0.01 0.00 0.00 72.50 71.85 3d7d s THR 353 CO 0.27 -0.25 0.91 -0.60 -0.69 0.00 0.00 174.62 174.27 3d7d s ARG 354 N -0.80 4.78 0.20 4.92 3.52 -1.26 -1.34 118.95 128.96 3d7d s ARG 354 Ca -0.09 1.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.98 3d7d s ARG 354 Cb -0.05 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 3d7d s ARG 354 CO 0.00 0.50 -0.09 0.96 -0.81 0.00 0.00 175.30 175.86 3d7d s ILE 355 N -1.23 1.37 -0.07 4.11 -4.36 0.02 -4.32 121.20 116.72 3d7d s ILE 355 Ca 0.41 -2.11 -0.02 0.00 -0.26 0.00 0.00 60.65 58.68 3d7d s ILE 355 Cb -0.25 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.40 3d7d s ILE 355 CO 0.30 -0.55 0.03 -0.31 0.24 0.00 0.00 174.94 174.66 3d7d s TYR 356 N -3.20 0.37 0.02 1.37 2.02 -1.26 -1.87 117.35 114.79 3d7d s TYR 356 Ca 0.23 -0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.84 3d7d s TYR 356 Cb 0.02 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.88 3d7d s TYR 356 CO 0.06 -0.28 0.31 -0.80 -1.57 0.00 0.00 175.55 173.26 3d7d s ASN 357 N 2.07 6.56 -0.20 2.29 0.01 0.55 -4.09 114.94 122.13 3d7d s ASN 357 Ca 0.05 0.66 -0.09 0.00 -0.71 0.00 0.00 52.86 52.76 3d7d s ASN 357 Cb -0.12 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3d7d s ASN 357 CO -0.04 0.25 0.12 -0.69 -1.51 0.00 0.00 177.10 175.23 3d7d s VAL 358 N -1.28 5.26 -0.19 1.60 1.01 -0.45 -0.64 120.40 125.71 3d7d s VAL 358 Ca 0.27 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3d7d s VAL 358 Cb -0.14 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.89 3d7d s VAL 358 CO 0.15 0.43 -0.09 -0.63 0.00 0.00 0.00 175.10 174.97 3d7d s ILE 359 N 0.44 1.52 -0.00 2.22 -1.09 -0.16 -1.18 121.20 122.95 3d7d s ILE 359 Ca 0.07 -0.94 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 3d7d s ILE 359 Cb -0.12 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 3d7d s ILE 359 CO -0.01 0.15 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.01 3d7d s GLY 360 N 1.45 1.86 -0.07 6.18 0.00 0.04 -1.20 107.32 115.57 3d7d s GLY 360 Ca -0.01 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.80 3d7d s GLY 360 CO -0.08 -0.82 -0.21 -1.59 0.00 0.00 0.00 173.10 170.40 3d7d s THR 361 N -1.06 1.77 -0.36 0.90 2.01 -0.14 -0.75 115.64 118.01 3d7d s THR 361 Ca 0.19 -0.88 -0.00 0.00 0.31 0.00 0.00 61.69 61.30 3d7d s THR 361 Cb -0.11 -1.53 0.10 0.00 0.01 0.00 0.00 72.50 70.96 3d7d s THR 361 CO 0.09 0.50 0.11 -0.22 -0.69 0.00 0.00 174.62 174.41 3d7d s LEU 362 N 0.18 4.84 0.21 4.42 2.96 0.35 -1.16 118.68 130.48 3d7d s LEU 362 Ca -0.11 -1.95 -0.31 0.00 -0.22 0.00 0.00 54.13 51.54 3d7d s LEU 362 Cb -0.15 -1.73 -0.11 0.00 0.50 0.00 0.00 46.19 44.70 3d7d s LEU 362 CO 0.05 -0.44 1.59 -0.60 -1.32 0.00 0.00 176.35 175.63 3d7d s ARG 363 N 1.07 4.19 0.46 1.98 3.52 -1.26 -1.52 118.95 127.38 3d7d s ARG 363 Ca 0.07 2.45 -0.24 0.00 -0.13 0.00 0.00 55.73 57.88 3d7d s ARG 363 Cb -0.21 -3.10 -0.07 0.00 -1.56 0.00 0.00 34.95 30.00 3d7d s ARG 363 CO -0.05 -0.62 1.23 0.20 -0.81 0.00 0.00 175.30 175.25 3d7d s GLY 364 N 0.91 2.84 0.16 8.12 0.00 -1.25 -4.55 107.32 113.54 3d7d s GLY 364 Ca 0.68 1.07 0.09 0.00 0.00 0.00 0.00 44.72 46.56 3d7d s GLY 364 CO 0.36 1.58 1.33 0.00 0.00 0.00 0.00 173.10 176.36 3d7d h ALA 365 N 2.14 0.44 0.00 3.20 0.00 -0.40 -3.36 119.26 121.28 3d7d h ALA 365 Ca -0.50 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 53.60 3d7d h ALA 365 Cb 1.26 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3d7d h ALA 365 CO 0.60 1.10 -1.05 0.28 0.00 0.00 0.00 179.25 180.19 3d7d n VAL 366 N -3.34 0.05 -3.47 0.00 0.31 -0.52 -4.86 118.33 106.50 3d7d n VAL 366 Ca 0.00 -0.01 -0.27 0.00 -0.01 0.00 0.00 64.34 64.05 3d7d n VAL 366 Cb 0.89 -1.23 -0.08 0.00 -0.91 0.00 0.00 33.84 32.50 3d7d n VAL 366 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3d7d n GLU 367 N -2.89 2.40 0.26 5.55 1.02 -0.00 -4.91 120.64 122.07 3d7d n GLU 367 Ca -0.02 -4.62 0.18 0.00 -0.02 0.00 0.00 57.16 52.69 3d7d n GLU 367 Cb 0.51 -2.23 0.87 0.00 -0.02 0.00 0.00 31.44 30.57 3d7d n GLU 367 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3d7d h PRO 368 N 4.31 0.00 -0.87 3.49 0.13 -1.76 -2.03 132.00 135.27 3d7d h PRO 368 Ca 0.19 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.05 3d7d h PRO 368 Cb 0.68 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.65 3d7d h PRO 368 CO 0.81 0.00 0.34 -0.40 -0.23 0.00 0.00 178.00 178.52 3d7d n ASP 369 N -2.83 4.10 -4.01 1.44 5.75 -1.26 -4.47 116.55 115.27 3d7d n ASP 369 Ca -0.01 -3.11 -0.26 0.00 -0.01 0.00 0.00 54.79 51.40 3d7d n ASP 369 Cb 0.15 -0.73 -0.17 0.00 -1.03 0.00 0.00 41.12 39.34 3d7d n ASP 369 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3d7d s ARG 370 N -2.61 1.77 -0.12 0.11 1.81 -0.77 -4.67 118.95 114.47 3d7d s ARG 370 Ca 0.46 -0.42 0.01 0.00 -1.72 0.00 0.00 55.73 54.07 3d7d s ARG 370 Cb 0.37 -1.52 -0.01 0.00 -0.45 0.00 0.00 34.95 33.34 3d7d s ARG 370 CO 0.11 -0.03 -0.17 0.71 -0.68 0.00 0.00 175.30 175.24 3d7d s TYR 371 N 0.88 2.73 -0.17 -0.53 2.02 -0.13 -1.27 117.35 120.87 3d7d s TYR 371 Ca -0.10 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 55.81 3d7d s TYR 371 Cb -0.15 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.60 3d7d s TYR 371 CO 0.01 -0.28 -0.11 0.08 -1.57 0.00 0.00 175.55 173.68 3d7d s VAL 372 N 0.35 3.04 -0.12 0.71 1.01 -0.10 -0.46 120.40 124.83 3d7d s VAL 372 Ca -0.13 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3d7d s VAL 372 Cb -0.17 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3d7d s VAL 372 CO 0.07 0.49 -0.14 -0.63 0.00 0.00 0.00 175.10 174.88 3d7d s ILE 373 N 0.91 2.94 -0.24 2.22 1.01 -0.11 -1.21 121.20 126.72 3d7d s ILE 373 Ca -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 3d7d s ILE 373 Cb -0.15 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3d7d s ILE 373 CO -0.00 0.53 -0.07 -0.22 0.00 0.00 0.00 174.94 175.18 3d7d s LEU 374 N 0.23 3.06 0.02 2.97 2.96 -0.03 -0.63 118.68 127.27 3d7d s LEU 374 Ca -0.10 -0.80 0.02 0.00 -0.22 0.00 0.00 54.13 53.03 3d7d s LEU 374 Cb -0.16 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3d7d s LEU 374 CO 0.06 -0.10 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.08 3d7d s GLY 375 N 1.34 0.40 0.16 7.98 0.00 -0.49 -1.32 107.32 115.38 3d7d s GLY 375 Ca 0.01 -0.53 -0.24 0.00 0.00 0.00 0.00 44.72 43.96 3d7d s GLY 375 CO -0.05 -0.54 0.78 -0.32 0.00 0.00 0.00 173.10 172.96 3d7d s GLY 376 N -0.95 -0.35 0.49 0.20 0.00 -0.88 -0.00 107.32 105.84 3d7d s GLY 376 Ca -0.05 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.96 3d7d s GLY 376 CO 0.00 0.09 0.73 -2.38 0.00 0.00 0.00 173.10 171.54 3d7d s HIS 377 N -3.56 3.19 -0.03 1.90 -3.43 -1.26 -1.01 115.29 111.10 3d7d s HIS 377 Ca 0.07 0.29 0.02 0.00 -0.80 0.00 0.00 55.06 54.65 3d7d s HIS 377 Cb -0.02 -2.45 -0.03 0.00 -1.43 0.00 0.00 32.58 28.65 3d7d s HIS 377 CO -0.03 -0.51 0.00 -2.13 -2.00 0.00 0.00 174.74 170.07 3d7d n ARG 378 N -2.21 3.14 -2.09 -0.38 0.63 0.26 -4.60 116.66 111.41 3d7d n ARG 378 Ca 0.03 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.58 3d7d n ARG 378 Cb 0.58 -1.07 0.00 0.00 0.45 0.00 0.00 32.46 32.43 3d7d n ARG 378 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3d7d s ASP 379 N -3.44 6.03 0.16 6.15 -4.77 -1.25 -4.85 116.67 114.70 3d7d s ASP 379 Ca -0.02 2.52 0.02 0.00 -3.30 0.00 0.00 52.55 51.78 3d7d s ASP 379 Cb 0.01 -2.62 -0.05 0.00 -1.09 0.00 0.00 42.92 39.17 3d7d s ASP 379 CO 0.10 -1.03 -0.02 -0.94 0.70 0.00 0.00 175.17 173.98 3d7d s SER 380 N -1.06 1.34 -0.03 2.11 1.04 -0.52 -4.52 113.70 112.06 3d7d s SER 380 Ca 0.63 -1.13 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 3d7d s SER 380 Cb -0.34 0.09 -0.21 0.00 0.10 0.00 0.00 66.02 65.66 3d7d s SER 380 CO 0.42 -0.52 1.14 -0.50 0.98 0.00 0.00 173.24 174.77 3d7d h TRP 381 N 2.72 0.18 0.00 5.02 4.06 -1.87 -3.23 115.95 122.82 3d7d h TRP 381 Ca -0.37 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.51 3d7d h TRP 381 Cb 1.20 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3d7d h TRP 381 CO 0.56 0.75 0.00 0.28 -3.56 0.00 0.00 178.44 176.48 3d7d n VAL 382 N -4.65 0.00 0.16 1.49 0.31 -1.26 -4.61 118.33 109.77 3d7d n VAL 382 Ca -0.09 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.34 3d7d n VAL 382 Cb 0.39 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.39 3d7d n VAL 382 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3d7d h PHE 383 N 0.00 0.00 -3.79 3.52 0.04 -1.84 -2.91 116.94 111.95 3d7d h PHE 383 Ca 0.00 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 3d7d h PHE 383 Cb 0.00 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.20 3d7d h PHE 383 CO 0.00 0.12 -0.50 0.41 -0.60 0.00 0.00 178.31 177.75 3d7d n GLY 384 N 1.17 -0.29 0.37 -1.45 0.00 -1.22 -4.50 105.19 99.26 3d7d n GLY 384 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.05 3d7d n GLY 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d7d h GLY 385 N -1.21 1.47 0.00 -0.02 0.00 -1.63 -0.93 103.07 100.76 3d7d h GLY 385 Ca -0.44 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.39 3d7d h GLY 385 CO 0.46 0.25 -1.23 1.39 0.00 0.00 0.00 176.54 177.41 3d7d n ILE 386 N -4.54 1.49 -3.41 2.60 5.41 -1.26 -3.64 119.36 116.01 3d7d n ILE 386 Ca 0.16 0.06 -0.45 0.00 1.00 0.00 0.00 62.75 63.52 3d7d n ILE 386 Cb 0.27 -2.24 -0.04 0.00 -0.71 0.00 0.00 39.64 36.92 3d7d n ILE 386 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3d7d s ASP 387 N -6.18 6.35 0.00 4.38 2.15 -1.21 -1.87 116.67 120.29 3d7d s ASP 387 Ca -0.30 -2.51 0.00 0.00 0.43 0.00 0.00 52.55 50.17 3d7d s ASP 387 Cb 0.06 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 3d7d s ASP 387 CO 0.42 -0.60 0.40 -0.81 -0.17 0.00 0.00 175.17 174.42 3d7d n PRO 388 N 4.17 -0.26 0.28 4.34 -0.04 -1.23 -4.32 135.00 137.95 3d7d n PRO 388 Ca 0.07 -0.40 0.17 0.00 -0.04 0.00 0.00 63.50 63.30 3d7d n PRO 388 Cb 0.44 -0.89 0.80 0.00 -0.04 0.00 0.00 33.50 33.80 3d7d n PRO 388 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3d7d h GLN 389 N 0.00 0.00 0.00 0.54 1.08 -0.87 0.18 115.11 116.04 3d7d h GLN 389 Ca 0.00 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3d7d h GLN 389 Cb 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3d7d h GLN 389 CO 0.00 0.04 -0.32 0.66 -0.95 0.00 0.00 178.83 178.26 3d7d h SER 390 N 0.00 0.00 0.10 1.46 4.64 -1.44 0.16 113.55 118.47 3d7d h SER 390 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3d7d h SER 390 Cb 0.38 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3d7d h SER 390 CO 0.01 0.32 -0.67 1.23 -0.87 0.00 0.00 176.83 176.85 3d7d h GLY 391 N 1.04 0.24 1.44 -0.77 0.00 -0.80 -3.25 103.07 100.98 3d7d h GLY 391 Ca -0.00 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.73 3d7d h GLY 391 CO 0.04 0.55 0.30 0.00 0.00 0.00 0.00 176.54 177.43 3d7d h ALA 392 N 0.04 1.82 -0.17 3.60 0.00 -1.00 0.30 119.26 123.85 3d7d h ALA 392 Ca -0.12 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 3d7d h ALA 392 Cb 1.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3d7d h ALA 392 CO 0.10 0.13 -0.54 0.00 0.00 0.00 0.00 179.25 178.93 3d7d h ALA 393 N 1.74 0.75 -0.15 0.00 0.00 -1.10 -0.59 119.26 119.91 3d7d h ALA 393 Ca 0.18 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3d7d h ALA 393 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3d7d h ALA 393 CO -0.05 0.69 0.01 0.28 0.00 0.00 0.00 179.25 180.18 3d7d h VAL 394 N 0.38 1.24 -0.77 0.00 2.07 -1.34 -2.00 116.25 115.83 3d7d h VAL 394 Ca 0.01 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.77 3d7d h VAL 394 Cb 1.07 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 3d7d h VAL 394 CO 0.10 0.23 0.50 0.58 0.02 0.00 0.00 177.57 179.00 3d7d h VAL 395 N 0.01 1.14 -0.84 2.57 2.07 -0.74 -0.13 116.25 120.34 3d7d h VAL 395 Ca 0.04 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3d7d h VAL 395 Cb 0.34 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 3d7d h VAL 395 CO 0.01 0.18 0.54 -0.74 0.02 0.00 0.00 177.57 177.57 3d7d h HIS 396 N 0.99 1.08 -0.00 1.57 6.17 -0.97 -0.43 115.15 123.56 3d7d h HIS 396 Ca 0.30 0.01 -0.15 0.00 0.71 0.00 0.00 60.37 61.24 3d7d h HIS 396 Cb -0.03 -0.36 -0.02 0.00 2.52 0.00 0.00 27.41 29.52 3d7d h HIS 396 CO -0.03 0.70 -0.73 1.49 0.71 0.00 0.00 177.93 180.07 3d7d h GLU 397 N 1.15 0.03 -0.33 5.26 4.57 -0.91 -1.07 114.58 123.27 3d7d h GLU 397 Ca 0.31 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3d7d h GLU 397 Cb -0.09 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3d7d h GLU 397 CO -0.06 0.74 0.12 0.82 -1.18 0.00 0.00 179.01 179.45 3d7d h ILE 398 N 0.02 1.20 -0.42 2.32 2.04 -0.16 -1.03 117.51 121.48 3d7d h ILE 398 Ca -0.01 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3d7d h ILE 398 Cb 1.29 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3d7d h ILE 398 CO 0.10 0.22 0.23 0.58 0.00 0.00 0.00 178.15 179.27 3d7d h VAL 399 N 0.39 1.01 -0.29 1.67 2.07 -0.93 0.43 116.25 120.60 3d7d h VAL 399 Ca 0.11 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3d7d h VAL 399 Cb 0.22 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3d7d h VAL 399 CO -0.01 0.08 -0.03 -0.09 0.02 0.00 0.00 177.57 177.55 3d7d h ARG 400 N 0.46 0.05 -0.21 1.57 2.43 -1.02 0.90 114.38 118.57 3d7d h ARG 400 Ca 0.17 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3d7d h ARG 400 Cb 0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3d7d h ARG 400 CO -0.10 0.03 0.10 0.77 -1.51 0.00 0.00 179.97 179.26 3d7d h SER 401 N 0.05 0.27 -0.94 -3.80 0.02 -0.78 -0.67 113.55 107.70 3d7d h SER 401 Ca 0.14 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3d7d h SER 401 Cb 0.20 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3d7d h SER 401 CO -0.26 0.32 0.61 -0.26 -1.14 0.00 0.00 176.83 176.11 3d7d h PHE 402 N 0.20 1.20 -0.24 3.45 0.04 -0.61 -2.05 116.94 118.93 3d7d h PHE 402 Ca 0.07 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 3d7d h PHE 402 Cb 0.13 -0.40 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 3d7d h PHE 402 CO -0.02 0.76 -0.07 0.78 -0.60 0.00 0.00 178.31 179.16 3d7d h GLY 403 N 1.28 0.41 0.87 -1.45 0.00 -0.63 -1.32 103.07 102.23 3d7d h GLY 403 Ca 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 3d7d h GLY 403 CO -0.07 0.23 0.07 -0.91 0.00 0.00 0.00 176.54 175.86 3d7d h THR 404 N 0.37 1.18 -0.63 4.70 1.35 -0.41 -0.59 112.91 118.87 3d7d h THR 404 Ca 0.08 -0.55 0.02 0.00 -0.55 0.00 0.00 66.41 65.41 3d7d h THR 404 Cb 0.36 1.19 -0.04 0.00 -1.73 0.00 0.00 68.15 67.93 3d7d h THR 404 CO 0.02 0.17 0.40 -0.07 -0.25 0.00 0.00 175.52 175.79 3d7d h LEU 405 N 0.14 0.67 -0.95 3.87 4.07 -1.22 -2.54 115.31 119.35 3d7d h LEU 405 Ca 0.06 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.03 3d7d h LEU 405 Cb 0.21 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 41.75 3d7d h LEU 405 CO -0.00 0.48 0.63 0.50 -1.08 0.00 0.00 178.44 178.96 3d7d h LYS 406 N 0.80 1.25 0.00 1.13 3.64 -0.91 -1.68 116.57 120.81 3d7d h LYS 406 Ca 0.25 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3d7d h LYS 406 Cb -0.03 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.51 3d7d h LYS 406 CO -0.08 0.83 -0.06 0.87 -2.27 0.00 0.00 179.45 178.74 3d7d h LYS 407 N 1.29 0.00 -0.21 1.90 1.57 -0.69 -0.77 116.57 119.66 3d7d h LYS 407 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 3d7d h LYS 407 Cb -0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3d7d h LYS 407 CO -0.08 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 3d7d n GLU 408 N -3.29 1.65 0.00 3.15 1.02 -0.69 -4.92 120.64 117.56 3d7d n GLU 408 Ca -0.01 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.14 3d7d n GLU 408 Cb 0.23 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3d7d n GLU 408 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d7d n GLY 409 N 1.04 0.61 3.88 0.62 0.00 -0.30 -5.08 105.19 105.95 3d7d n GLY 409 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3d7d n GLY 409 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3d7d s TRP 410 N -2.00 3.44 -0.00 1.61 -0.00 -0.88 -4.99 118.94 116.11 3d7d s TRP 410 Ca 0.00 0.93 -0.03 0.00 -0.00 0.00 0.00 56.10 57.00 3d7d s TRP 410 Cb 0.00 -2.32 -0.00 0.00 -0.00 0.00 0.00 33.47 31.14 3d7d s TRP 410 CO 0.00 0.12 0.06 1.03 -0.00 0.00 0.00 176.95 178.16 3d7d s ARG 411 N -3.26 0.27 0.87 5.86 0.52 -1.26 -3.93 118.95 118.01 3d7d s ARG 411 Ca 0.49 -0.26 -0.11 0.00 -0.52 0.00 0.00 55.73 55.33 3d7d s ARG 411 Cb -0.11 0.11 0.11 0.00 0.52 0.00 0.00 34.95 35.58 3d7d s ARG 411 CO 0.25 -0.05 1.09 -1.25 0.02 0.00 0.00 175.30 175.36 3d7d s PRO 412 N -0.82 1.48 0.03 3.54 0.04 -1.26 -4.67 135.00 133.33 3d7d s PRO 412 Ca -0.09 0.94 -0.26 0.00 0.04 0.00 0.00 61.00 61.63 3d7d s PRO 412 Cb -0.05 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.49 3d7d s PRO 412 CO 0.00 -2.12 1.39 -0.09 0.04 0.00 0.00 177.00 176.22 3d7d h ARG 413 N -1.47 -0.34 -6.40 4.56 2.43 -1.76 0.10 114.38 111.50 3d7d h ARG 413 Ca -0.48 0.02 -0.45 0.00 -0.81 0.00 0.00 59.98 58.27 3d7d h ARG 413 Cb 1.27 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3d7d h ARG 413 CO 0.53 -0.06 -0.29 1.03 -1.51 0.00 0.00 179.97 179.67 3d7d s ARG 414 N -5.10 3.14 0.26 0.20 0.52 0.32 -0.82 118.95 117.47 3d7d s ARG 414 Ca -0.15 -0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 53.91 3d7d s ARG 414 Cb 0.03 -2.76 -0.09 0.00 0.52 0.00 0.00 34.95 32.65 3d7d s ARG 414 CO 0.59 0.01 1.18 0.99 0.02 0.00 0.00 175.30 178.10 3d7d s THR 415 N -2.25 3.32 -0.14 0.02 2.01 -0.40 -3.91 115.64 114.29 3d7d s THR 415 Ca 0.45 1.25 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 3d7d s THR 415 Cb -0.10 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3d7d s THR 415 CO 0.33 0.27 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.77 3d7d s ILE 416 N -0.78 3.06 -0.11 1.82 1.01 -0.58 -0.92 121.20 124.69 3d7d s ILE 416 Ca 0.48 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 3d7d s ILE 416 Cb -0.34 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3d7d s ILE 416 CO 0.42 0.51 -0.04 -0.76 0.00 0.00 0.00 174.94 175.08 3d7d s LEU 417 N 0.52 3.30 -0.05 2.97 1.43 -0.35 -0.50 118.68 126.00 3d7d s LEU 417 Ca -0.08 -0.03 0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3d7d s LEU 417 Cb -0.16 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 3d7d s LEU 417 CO 0.04 0.29 -0.19 -0.36 0.23 0.00 0.00 176.35 176.36 3d7d s PHE 418 N -0.34 2.59 -0.00 0.29 0.08 0.07 -0.85 117.98 119.81 3d7d s PHE 418 Ca 0.06 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.75 3d7d s PHE 418 Cb -0.12 -1.62 -0.00 0.00 -0.57 0.00 0.00 43.02 40.70 3d7d s PHE 418 CO 0.02 0.02 -0.06 0.00 -0.10 0.00 0.00 175.22 175.11 3d7d s ALA 419 N -0.48 0.46 -0.43 5.36 0.00 -0.44 -0.78 121.76 125.45 3d7d s ALA 419 Ca 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 3d7d s ALA 419 Cb -0.12 -0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.00 3d7d s ALA 419 CO 0.01 0.11 0.21 0.45 0.00 0.00 0.00 175.76 176.55 3d7d s SER 420 N -0.13 5.15 0.42 0.00 0.15 -0.32 -2.06 113.70 116.91 3d7d s SER 420 Ca 0.02 -2.19 -0.15 0.00 0.70 0.00 0.00 55.95 54.33 3d7d s SER 420 Cb -0.02 -1.80 -0.08 0.00 -1.71 0.00 0.00 66.02 62.41 3d7d s SER 420 CO -0.00 -0.49 0.86 0.26 1.20 0.00 0.00 173.24 175.07 3d7d s TRP 421 N 0.90 3.41 0.32 3.44 0.23 -0.18 -1.34 118.94 125.72 3d7d s TRP 421 Ca 0.10 1.31 0.08 0.00 -2.03 0.00 0.00 56.10 55.56 3d7d s TRP 421 Cb -0.22 -2.64 -0.03 0.00 0.03 0.00 0.00 33.47 30.60 3d7d s TRP 421 CO -0.05 -0.14 0.20 0.34 0.96 0.00 0.00 176.95 178.26 3d7d s ASP 422 N -2.75 5.03 -1.28 2.95 -1.08 -1.26 -0.57 116.67 117.71 3d7d s ASP 422 Ca 0.56 -0.58 -0.01 0.00 -0.52 0.00 0.00 52.55 52.00 3d7d s ASP 422 Cb -0.10 -0.93 0.00 0.00 -1.46 0.00 0.00 42.92 40.44 3d7d s ASP 422 CO 0.25 -0.27 0.06 0.00 0.52 0.00 0.00 175.17 175.74 3d7d n ALA 423 N -1.23 -0.77 -0.17 3.66 0.00 -1.26 -1.79 120.51 118.95 3d7d n ALA 423 Ca -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 3d7d n ALA 423 Cb 0.60 -1.88 0.18 0.00 0.00 0.00 0.00 19.45 18.35 3d7d n ALA 423 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3d7d h GLU 424 N -0.13 0.92 0.00 0.00 4.22 -1.89 -2.39 114.58 115.31 3d7d h GLU 424 Ca -0.37 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 58.92 3d7d h GLU 424 Cb 1.27 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3d7d h GLU 424 CO 0.43 0.77 0.00 0.93 -2.18 0.00 0.00 179.01 178.96 3d7d h GLU 425 N 0.90 0.00 -0.66 1.92 4.39 -1.88 -0.30 114.58 118.96 3d7d h GLU 425 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3d7d h GLU 425 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3d7d h GLU 425 CO -0.02 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.02 3d7d n PHE 426 N -2.77 1.40 0.00 4.33 3.72 -0.99 -4.03 117.46 119.13 3d7d n PHE 426 Ca 0.00 -0.60 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 3d7d n PHE 426 Cb 0.22 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3d7d n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d7d n GLY 427 N 1.19 1.47 2.49 1.37 0.00 -0.70 -4.73 105.19 106.28 3d7d n GLY 427 Ca 0.26 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 3d7d n GLY 427 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d7d n LEU 428 N 0.00 -2.06 -0.07 0.99 4.77 -0.20 -4.62 117.00 115.81 3d7d n LEU 428 Ca 0.00 -0.12 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 3d7d n LEU 428 Cb 0.00 -2.30 -0.05 0.00 -2.33 0.00 0.00 43.42 38.73 3d7d n LEU 428 CO 0.00 0.01 0.45 -0.07 -1.33 0.00 0.00 177.39 176.46 3d7d h LEU 429 N -0.54 0.82 -0.21 2.23 3.38 -1.65 -2.22 115.31 117.14 3d7d h LEU 429 Ca -0.38 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 56.98 3d7d h LEU 429 Cb 1.27 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 3d7d h LEU 429 CO 0.42 1.21 -0.15 1.23 0.09 0.00 0.00 178.44 181.24 3d7d h GLY 430 N 0.47 0.52 0.94 0.83 0.00 -1.54 -1.00 103.07 103.28 3d7d h GLY 430 Ca 0.01 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 3d7d h GLY 430 CO 0.10 0.45 0.07 1.48 0.00 0.00 0.00 176.54 178.65 3d7d h SER 431 N 0.16 0.63 -0.32 0.19 4.64 -1.75 -2.01 113.55 115.09 3d7d h SER 431 Ca 0.04 -0.25 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 3d7d h SER 431 Cb 0.68 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3d7d h SER 431 CO 0.04 0.73 0.01 0.74 -0.87 0.00 0.00 176.83 177.48 3d7d h THR 432 N 0.52 1.25 -0.61 2.95 2.02 -1.32 -0.45 112.91 117.27 3d7d h THR 432 Ca 0.12 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 3d7d h THR 432 Cb 0.36 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3d7d h THR 432 CO 0.01 0.30 0.22 -0.33 0.37 0.00 0.00 175.52 176.09 3d7d h GLU 433 N 0.36 0.93 -0.48 6.66 4.39 -1.16 0.14 114.58 125.42 3d7d h GLU 433 Ca 0.09 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3d7d h GLU 433 Cb 0.42 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3d7d h GLU 433 CO 0.01 0.80 0.27 2.35 -1.16 0.00 0.00 179.01 181.29 3d7d h TRP 434 N 0.86 0.65 -0.65 4.33 7.01 -1.20 -0.74 115.95 126.21 3d7d h TRP 434 Ca 0.20 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.13 3d7d h TRP 434 Cb 0.24 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 3d7d h TRP 434 CO 0.01 0.47 0.16 0.00 -2.79 0.00 0.00 178.44 176.30 3d7d h ALA 435 N 1.12 1.07 -0.96 2.65 0.00 -0.79 -0.27 119.26 122.07 3d7d h ALA 435 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3d7d h ALA 435 Cb 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3d7d h ALA 435 CO -0.03 0.62 0.63 0.93 0.00 0.00 0.00 179.25 181.40 3d7d h GLU 436 N 0.97 1.25 -0.42 0.00 5.08 -0.32 0.66 114.58 121.80 3d7d h GLU 436 Ca 0.21 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3d7d h GLU 436 Cb 0.33 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3d7d h GLU 436 CO -0.00 0.83 -0.03 1.49 -1.00 0.00 0.00 179.01 180.30 3d7d h GLU 437 N 1.29 0.76 -0.45 2.33 4.81 -0.55 -3.26 114.58 119.52 3d7d h GLU 437 Ca 0.35 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3d7d h GLU 437 Cb -0.14 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.18 3d7d h GLU 437 CO -0.08 0.86 0.00 0.09 -0.73 0.00 0.00 179.01 179.15 3d7d n ASN 438 N -4.38 4.81 -0.05 1.04 3.02 -0.17 -4.72 115.26 114.81 3d7d n ASN 438 Ca -0.01 -2.89 0.05 0.00 -0.03 0.00 0.00 54.58 51.71 3d7d n ASN 438 Cb 0.32 -0.60 0.41 0.00 -0.61 0.00 0.00 39.78 39.30 3d7d n ASN 438 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3d7d h SER 439 N 3.06 0.51 -0.31 6.41 4.64 -0.92 -0.41 113.55 126.53 3d7d h SER 439 Ca 0.00 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3d7d h SER 439 Cb 1.68 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.64 3d7d h SER 439 CO 0.34 0.36 -0.32 0.03 -0.87 0.00 0.00 176.83 176.37 3d7d h ARG 440 N 0.59 0.84 -0.39 4.77 3.08 -1.86 0.10 114.38 121.52 3d7d h ARG 440 Ca 0.20 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3d7d h ARG 440 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3d7d h ARG 440 CO -0.05 1.04 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.76 3d7d h LEU 441 N 0.70 0.72 -0.44 3.04 3.38 -1.57 -2.85 115.31 118.29 3d7d h LEU 441 Ca 0.07 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 3d7d h LEU 441 Cb 0.87 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3d7d h LEU 441 CO 0.08 0.89 -0.15 -0.07 0.09 0.00 0.00 178.44 179.28 3d7d h LEU 442 N 0.54 0.89 -0.70 1.67 3.38 -0.92 -1.04 115.31 119.13 3d7d h LEU 442 Ca 0.10 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.80 3d7d h LEU 442 Cb 0.56 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.98 3d7d h LEU 442 CO 0.03 1.07 0.32 -0.61 0.09 0.00 0.00 178.44 179.34 3d7d h GLN 443 N 0.71 0.51 0.00 1.13 5.75 -0.83 0.85 115.11 123.23 3d7d h GLN 443 Ca 0.11 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3d7d h GLN 443 Cb 0.71 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.14 3d7d h GLN 443 CO 0.05 0.33 -1.19 0.39 -2.65 0.00 0.00 178.83 175.77 3d7d n GLU 444 N -4.93 0.16 0.00 1.69 -0.58 -1.08 -4.54 120.64 111.36 3d7d n GLU 444 Ca 0.11 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 3d7d n GLU 444 Cb 0.31 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 3d7d n GLU 444 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3d7d n ARG 445 N -1.69 3.49 -2.77 3.49 1.74 -0.40 -5.05 116.66 115.47 3d7d n ARG 445 Ca 0.02 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3d7d n ARG 445 Cb 0.39 -0.33 -0.03 0.00 -1.02 0.00 0.00 32.46 31.47 3d7d n ARG 445 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3d7d s GLY 446 N -0.51 1.63 -0.15 -0.13 0.00 0.29 -0.96 107.32 107.49 3d7d s GLY 446 Ca 0.00 -0.19 -0.28 0.00 0.00 0.00 0.00 44.72 44.25 3d7d s GLY 446 CO 0.00 2.04 0.71 -2.08 0.00 0.00 0.00 173.10 173.77 3d7d h VAL 447 N 5.65 1.69 -2.38 1.40 2.07 -1.09 -3.45 116.25 120.15 3d7d h VAL 447 Ca -0.22 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.00 3d7d h VAL 447 Cb 1.08 3.24 -0.16 0.00 -1.52 0.00 0.00 31.29 33.92 3d7d h VAL 447 CO 0.97 0.57 0.31 0.00 0.02 0.00 0.00 177.57 179.44 3d7d s ALA 448 N -2.24 -1.74 -0.09 1.67 0.00 -1.22 -4.07 121.76 114.08 3d7d s ALA 448 Ca -0.20 0.98 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3d7d s ALA 448 Cb -0.02 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3d7d s ALA 448 CO 0.67 -0.58 -0.11 -0.47 0.00 0.00 0.00 175.76 175.27 3d7d s TYR 449 N -2.56 1.54 -0.19 0.00 5.04 -0.05 -0.93 117.35 120.19 3d7d s TYR 449 Ca -0.02 -0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 53.92 3d7d s TYR 449 Cb -0.01 -1.18 -0.01 0.00 0.35 0.00 0.00 41.96 41.12 3d7d s TYR 449 CO -0.04 -0.40 -0.09 0.42 -1.34 0.00 0.00 175.55 174.11 3d7d s ILE 450 N 1.10 3.14 0.65 3.14 -1.09 0.20 -1.31 121.20 127.03 3d7d s ILE 450 Ca -0.06 -0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 57.68 3d7d s ILE 450 Cb -0.14 -2.38 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 3d7d s ILE 450 CO -0.02 0.47 1.01 0.21 -1.23 0.00 0.00 174.94 175.39 3d7d s ASN 451 N 1.10 5.59 -0.43 3.58 2.47 -0.27 -1.40 114.94 125.58 3d7d s ASN 451 Ca 0.01 1.01 0.08 0.00 0.42 0.00 0.00 52.86 54.37 3d7d s ASN 451 Cb -0.15 -1.91 0.33 0.00 -1.45 0.00 0.00 41.25 38.07 3d7d s ASN 451 CO -0.02 -1.18 0.98 0.00 -3.72 0.00 0.00 177.10 173.16 3d7d n ALA 452 N -2.81 0.17 -1.04 1.71 0.00 1.00 -4.65 120.51 114.88 3d7d n ALA 452 Ca 0.06 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.36 3d7d n ALA 452 Cb 0.57 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3d7d n ALA 452 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3d7d n ASP 453 N 0.36 0.00 -4.56 0.00 -0.08 -1.26 -4.13 116.55 106.88 3d7d n ASP 453 Ca 0.13 0.00 -0.54 0.00 -1.51 0.00 0.00 54.79 52.86 3d7d n ASP 453 Cb 0.68 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 44.08 3d7d n ASP 453 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3d7d n SER 454 N 0.00 1.15 0.19 1.67 3.41 -1.26 -3.74 113.62 115.04 3d7d n SER 454 Ca 0.00 1.13 0.09 0.00 -0.26 0.00 0.00 58.87 59.83 3d7d n SER 454 Cb 0.00 -1.11 0.19 0.00 -0.26 0.00 0.00 64.21 63.03 3d7d n SER 454 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3d7d h SER 455 N 4.09 0.00 -4.05 4.04 0.02 -1.82 -3.45 113.55 112.39 3d7d h SER 455 Ca -0.49 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.18 3d7d h SER 455 Cb 1.36 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.64 3d7d h SER 455 CO 0.74 0.22 -0.74 0.27 -1.14 0.00 0.00 176.83 176.17 3d7d s ILE 456 N -3.21 0.31 -0.00 3.27 -4.36 -1.26 -0.72 121.20 115.23 3d7d s ILE 456 Ca 0.05 -0.33 0.01 0.00 -0.26 0.00 0.00 60.65 60.12 3d7d s ILE 456 Cb 0.07 -0.30 0.01 0.00 1.25 0.00 0.00 42.46 43.49 3d7d s ILE 456 CO 0.68 -0.02 0.68 -1.84 0.24 0.00 0.00 174.94 174.69 3d7d n GLU 457 N 2.70 0.58 -3.06 0.37 0.28 0.19 -4.93 120.64 116.76 3d7d n GLU 457 Ca -0.15 -0.82 0.00 0.00 -0.16 0.00 0.00 57.16 56.03 3d7d n GLU 457 Cb 0.58 -0.63 0.00 0.00 1.43 0.00 0.00 31.44 32.82 3d7d n GLU 457 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3d7d n GLY 458 N -0.14 -1.22 0.85 -1.84 0.00 -1.23 -4.21 105.19 97.40 3d7d n GLY 458 Ca 0.01 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.12 3d7d n GLY 458 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d7d n ASN 459 N 0.19 1.01 -0.10 1.61 0.23 -1.17 -4.16 115.26 112.87 3d7d n ASN 459 Ca 0.00 -2.48 -0.17 0.00 -0.53 0.00 0.00 54.58 51.40 3d7d n ASN 459 Cb 0.00 -0.33 -0.07 0.00 -2.08 0.00 0.00 39.78 37.30 3d7d n ASN 459 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3d7d n TYR 460 N -0.19 0.61 -3.83 -2.53 9.36 0.38 -4.99 117.16 115.97 3d7d n TYR 460 Ca 0.08 0.26 -0.07 0.00 3.32 0.00 0.00 57.90 61.50 3d7d n TYR 460 Cb 0.87 -0.90 0.02 0.00 -0.63 0.00 0.00 39.34 38.70 3d7d n TYR 460 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3d7d s THR 461 N -2.45 0.00 0.48 2.97 -1.32 -1.04 -4.98 115.64 109.29 3d7d s THR 461 Ca -0.27 -0.85 -0.21 0.00 -1.21 0.00 0.00 61.69 59.15 3d7d s THR 461 Cb 0.07 -2.86 -0.08 0.00 -1.51 0.00 0.00 72.50 68.11 3d7d s THR 461 CO 0.45 0.00 1.04 -0.22 -2.21 0.00 0.00 174.62 173.68 3d7d s LEU 462 N -3.18 3.88 -0.09 9.08 2.96 -1.26 -0.06 118.68 130.00 3d7d s LEU 462 Ca 0.18 1.95 -0.00 0.00 -0.22 0.00 0.00 54.13 56.03 3d7d s LEU 462 Cb -0.04 -4.52 0.02 0.00 0.50 0.00 0.00 46.19 42.15 3d7d s LEU 462 CO 0.09 -0.75 -0.06 -0.60 -1.32 0.00 0.00 176.35 173.70 3d7d s ARG 463 N -3.15 1.29 -0.05 1.98 3.52 0.88 -4.79 118.95 118.64 3d7d s ARG 463 Ca 0.66 -0.18 0.03 0.00 -0.13 0.00 0.00 55.73 56.12 3d7d s ARG 463 Cb -0.17 -1.39 0.00 0.00 -1.56 0.00 0.00 34.95 31.84 3d7d s ARG 463 CO 0.21 -0.24 -0.15 0.08 -0.81 0.00 0.00 175.30 174.40 3d7d s VAL 464 N 1.62 1.26 -0.07 7.11 1.01 -1.26 -1.12 120.40 128.95 3d7d s VAL 464 Ca 0.02 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3d7d s VAL 464 Cb -0.13 -1.11 0.01 0.00 0.00 0.00 0.00 36.38 35.15 3d7d s VAL 464 CO -0.06 0.37 -0.15 -1.81 0.00 0.00 0.00 175.10 173.45 3d7d s ASP 465 N 0.27 2.09 0.19 3.32 1.01 -0.89 -1.73 116.67 120.93 3d7d s ASP 465 Ca -0.08 -0.36 -0.24 0.00 0.71 0.00 0.00 52.55 52.59 3d7d s ASP 465 Cb -0.13 -0.93 0.05 0.00 1.01 0.00 0.00 42.92 42.92 3d7d s ASP 465 CO 0.03 0.07 0.83 0.00 0.21 0.00 0.00 175.17 176.31 3d7d s THR 467 N -3.55 2.42 0.57 0.00 -1.32 -0.64 -4.41 115.64 108.70 3d7d s THR 467 Ca 0.10 0.31 0.29 0.00 -1.21 0.00 0.00 61.69 61.19 3d7d s THR 467 Cb -0.03 -3.16 0.42 0.00 -1.51 0.00 0.00 72.50 68.22 3d7d s THR 467 CO 0.02 -0.00 1.89 -0.65 -2.21 0.00 0.00 174.62 173.66 3d7d h PRO 468 N 1.66 0.00 0.00 7.08 0.11 -1.93 -0.53 132.00 138.39 3d7d h PRO 468 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3d7d h PRO 468 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3d7d h PRO 468 CO 0.58 0.00 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.28 3d7d h LEU 469 N 0.00 0.00 -2.07 2.35 3.38 -1.91 -2.34 115.31 114.73 3d7d h LEU 469 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3d7d h LEU 469 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3d7d h LEU 469 CO -0.00 0.02 0.00 0.23 0.09 0.00 0.00 178.44 178.78 3d7d n MET 470 N -3.42 2.36 -0.05 1.13 2.81 -0.21 -2.60 117.12 117.14 3d7d n MET 470 Ca -0.02 -2.04 -0.08 0.00 -1.81 0.00 0.00 57.70 53.74 3d7d n MET 470 Cb 0.13 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 3d7d n MET 470 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 3d7d h TYR 471 N 4.57 -0.02 -0.64 2.03 0.05 -1.49 -0.82 116.97 120.65 3d7d h TYR 471 Ca 0.00 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 3d7d h TYR 471 Cb 0.98 0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.74 3d7d h TYR 471 CO 0.09 -0.04 0.24 1.03 -1.05 0.00 0.00 178.16 178.43 3d7d h SER 472 N 0.07 0.89 -0.31 3.88 0.87 -1.81 -0.58 113.55 116.56 3d7d h SER 472 Ca 0.11 -0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 3d7d h SER 472 Cb 0.14 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3d7d h SER 472 CO -0.19 0.83 0.08 0.25 -0.53 0.00 0.00 176.83 177.27 3d7d h LEU 473 N 0.90 0.05 -0.39 2.23 5.85 -1.68 0.41 115.31 122.68 3d7d h LEU 473 Ca 0.21 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3d7d h LEU 473 Cb 0.22 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3d7d h LEU 473 CO -0.02 0.06 0.16 0.58 -0.34 0.00 0.00 178.44 178.88 3d7d h VAL 474 N 0.20 1.19 0.10 1.05 2.07 -0.88 0.12 116.25 120.10 3d7d h VAL 474 Ca 0.14 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3d7d h VAL 474 Cb 0.14 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3d7d h VAL 474 CO -0.17 0.21 -0.05 0.45 0.02 0.00 0.00 177.57 178.04 3d7d h HIS 475 N 0.48 -0.13 -0.76 1.57 3.86 -0.89 -0.97 115.15 118.33 3d7d h HIS 475 Ca 0.13 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3d7d h HIS 475 Cb 0.19 0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 3d7d h HIS 475 CO -0.00 -0.07 0.42 -0.91 0.86 0.00 0.00 177.93 178.23 3d7d h ASN 476 N -0.15 0.94 -0.30 2.45 4.21 -0.76 -2.27 115.58 119.71 3d7d h ASN 476 Ca -0.01 -0.10 -0.09 0.00 1.21 0.00 0.00 56.30 57.31 3d7d h ASN 476 Cb 0.12 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 3d7d h ASN 476 CO 0.02 0.77 -0.16 0.25 -1.29 0.00 0.00 177.43 177.02 3d7d h LEU 477 N 1.05 0.65 -1.63 1.61 5.85 -0.55 -3.03 115.31 119.26 3d7d h LEU 477 Ca 0.27 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3d7d h LEU 477 Cb 0.03 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3d7d h LEU 477 CO -0.04 0.93 -0.19 0.71 -0.34 0.00 0.00 178.44 179.50 3d7d h THR 478 N 0.38 0.74 0.00 1.05 1.35 -1.04 -0.80 112.91 114.59 3d7d h THR 478 Ca 0.06 -0.79 -0.01 0.00 -0.55 0.00 0.00 66.41 65.13 3d7d h THR 478 Cb 0.69 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3d7d h THR 478 CO 0.05 0.19 -0.03 0.11 -0.25 0.00 0.00 175.52 175.58 3d7d h LYS 479 N 0.00 0.00 -0.02 4.72 1.57 -1.28 -0.79 116.57 120.77 3d7d h LYS 479 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d7d h LYS 479 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3d7d h LYS 479 CO 0.03 0.03 -0.38 0.39 -0.57 0.00 0.00 179.45 178.95 3d7d n GLU 480 N -3.16 1.38 -4.03 3.15 -0.58 -0.32 -4.83 120.64 112.24 3d7d n GLU 480 Ca -0.00 -1.12 -0.31 0.00 -0.42 0.00 0.00 57.16 55.31 3d7d n GLU 480 Cb 0.27 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 3d7d n GLU 480 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3d7d s LEU 481 N -2.40 3.91 0.24 -4.62 1.43 -1.13 -5.03 118.68 111.09 3d7d s LEU 481 Ca 0.21 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 3d7d s LEU 481 Cb 0.19 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 3d7d s LEU 481 CO 0.52 0.18 1.03 -0.54 0.23 0.00 0.00 176.35 177.78 3d7d s LYS 482 N -2.33 4.72 0.24 1.70 1.02 -1.26 -0.55 119.74 123.27 3d7d s LYS 482 Ca 0.30 1.66 -0.30 0.00 0.02 0.00 0.00 55.97 57.65 3d7d s LYS 482 Cb -0.12 -3.25 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 3d7d s LYS 482 CO 0.22 0.30 1.17 0.45 -0.92 0.00 0.00 175.35 176.58 3d7d s SER 483 N -0.82 7.12 0.00 2.83 0.15 -0.35 -4.31 113.70 118.32 3d7d s SER 483 Ca 0.44 2.30 0.28 0.00 0.70 0.00 0.00 55.95 59.66 3d7d s SER 483 Cb -0.29 -2.62 0.98 0.00 -1.71 0.00 0.00 66.02 62.39 3d7d s SER 483 CO 0.36 -0.30 1.71 -0.81 1.20 0.00 0.00 173.24 175.40 3d7d n PRO 484 N 1.82 1.60 -2.61 5.44 -0.04 -1.26 -4.74 135.00 135.21 3d7d n PRO 484 Ca 0.02 -0.95 -0.39 0.00 -0.04 0.00 0.00 63.50 62.14 3d7d n PRO 484 Cb 0.44 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3d7d n PRO 484 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d7d s ASP 485 N -2.05 7.24 0.26 3.54 1.11 -1.26 -4.98 116.67 120.53 3d7d s ASP 485 Ca 0.36 2.06 -0.30 0.00 0.18 0.00 0.00 52.55 54.85 3d7d s ASP 485 Cb 0.21 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.49 3d7d s ASP 485 CO 0.35 -0.15 1.43 -1.61 1.18 0.00 0.00 175.17 176.38 3d7d s GLU 486 N -1.77 4.27 0.00 8.23 8.01 -1.26 -2.19 118.70 134.00 3d7d s GLU 486 Ca 0.48 2.30 0.00 0.00 0.01 0.00 0.00 54.97 57.76 3d7d s GLU 486 Cb -0.26 -3.10 0.00 0.00 -4.31 0.00 0.00 34.13 26.46 3d7d s GLU 486 CO 0.32 -0.40 0.00 0.41 0.01 0.00 0.00 175.26 175.60 3d7d n GLY 487 N 2.04 2.00 0.39 -1.39 0.00 -1.26 -4.85 105.19 102.11 3d7d n GLY 487 Ca 0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.16 3d7d n GLY 487 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d7d n PHE 488 N -2.00 0.00 -1.87 1.61 3.72 -0.93 -5.03 117.46 112.96 3d7d n PHE 488 Ca 0.00 -1.21 -0.41 0.00 -0.05 0.00 0.00 57.45 55.78 3d7d n PHE 488 Cb 0.00 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.33 3d7d n PHE 488 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3d7d s GLU 489 N -2.90 4.17 0.00 -1.08 1.03 -1.25 -0.96 118.70 117.70 3d7d s GLU 489 Ca 0.34 2.48 0.00 0.00 0.03 0.00 0.00 54.97 57.83 3d7d s GLU 489 Cb 0.32 -3.02 0.00 0.00 -0.80 0.00 0.00 34.13 30.63 3d7d s GLU 489 CO -0.03 -0.49 0.00 0.41 -1.33 0.00 0.00 175.26 173.82 3d7d n GLY 490 N 1.20 0.58 3.92 -3.83 0.00 -1.26 -5.02 105.19 100.78 3d7d n GLY 490 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3d7d n GLY 490 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d7d s LYS 491 N -0.43 3.28 0.62 1.61 -0.14 -0.14 -5.02 119.74 119.52 3d7d s LYS 491 Ca 0.00 -0.80 -0.14 0.00 -1.36 0.00 0.00 55.97 53.67 3d7d s LYS 491 Cb 0.00 -2.81 -0.03 0.00 -1.68 0.00 0.00 37.83 33.31 3d7d s LYS 491 CO 0.00 0.45 1.05 -1.54 -0.76 0.00 0.00 175.35 174.54 3d7d s SER 492 N -3.72 5.80 0.29 2.83 1.04 -1.26 -1.21 113.70 117.46 3d7d s SER 492 Ca 0.34 1.70 -0.02 0.00 0.48 0.00 0.00 55.95 58.45 3d7d s SER 492 Cb -0.09 -2.51 0.44 0.00 0.10 0.00 0.00 66.02 63.95 3d7d s SER 492 CO 0.27 -1.16 1.92 0.25 0.98 0.00 0.00 173.24 175.51 3d7d h LEU 493 N 0.11 0.99 -0.70 2.42 5.85 -0.74 -1.84 115.31 121.40 3d7d h LEU 493 Ca -0.46 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.33 3d7d h LEU 493 Cb 1.21 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 3d7d h LEU 493 CO 0.58 0.67 0.37 0.22 -0.34 0.00 0.00 178.44 179.94 3d7d h TYR 494 N 1.14 0.68 -0.18 1.25 3.20 -1.39 -0.26 116.97 121.41 3d7d h TYR 494 Ca 0.37 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 3d7d h TYR 494 Cb 0.05 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3d7d h TYR 494 CO -0.00 0.29 0.06 1.49 -1.64 0.00 0.00 178.16 178.36 3d7d h GLU 495 N 0.66 0.28 -0.35 1.82 4.81 -1.64 -0.18 114.58 119.98 3d7d h GLU 495 Ca 0.32 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3d7d h GLU 495 Cb 0.26 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3d7d h GLU 495 CO -0.22 0.37 0.05 0.66 -0.73 0.00 0.00 179.01 179.15 3d7d h SER 496 N 0.13 0.55 -0.38 1.04 4.64 -1.22 -2.16 113.55 116.16 3d7d h SER 496 Ca 0.06 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3d7d h SER 496 Cb 0.21 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3d7d h SER 496 CO -0.00 0.68 0.24 -0.25 -0.87 0.00 0.00 176.83 176.63 3d7d h TRP 497 N 0.41 0.48 -0.53 4.77 7.01 -1.05 -0.88 115.95 126.16 3d7d h TRP 497 Ca 0.10 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.06 3d7d h TRP 497 Cb 0.36 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 3d7d h TRP 497 CO 0.02 0.32 0.11 1.15 -2.79 0.00 0.00 178.44 177.25 3d7d h THR 498 N 0.50 1.23 -0.23 2.65 2.02 -0.97 0.24 112.91 118.36 3d7d h THR 498 Ca 0.14 -0.84 -0.06 0.00 0.77 0.00 0.00 66.41 66.41 3d7d h THR 498 Cb -0.04 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3d7d h THR 498 CO -0.03 0.31 -0.09 0.50 0.37 0.00 0.00 175.52 176.58 3d7d h LYS 499 N 0.79 0.46 0.00 6.66 3.64 -1.06 -2.88 116.57 124.19 3d7d h LYS 499 Ca 0.17 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 3d7d h LYS 499 Cb 0.32 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3d7d h LYS 499 CO 0.00 0.72 -0.73 0.87 -2.27 0.00 0.00 179.45 178.05 3d7d h LYS 500 N 0.18 0.00 -2.06 1.90 1.57 -1.00 -3.38 116.57 113.77 3d7d h LYS 500 Ca 0.05 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.27 3d7d h LYS 500 Cb 0.57 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.48 3d7d h LYS 500 CO 0.03 0.69 -0.96 0.45 -0.57 0.00 0.00 179.45 179.08 3d7d n SER 501 N -3.26 1.40 -4.78 0.86 2.88 0.84 -5.07 113.62 106.49 3d7d n SER 501 Ca 0.01 -2.98 -0.41 0.00 -1.33 0.00 0.00 58.87 54.16 3d7d n SER 501 Cb 0.82 -0.64 -0.01 0.00 -0.75 0.00 0.00 64.21 63.63 3d7d n SER 501 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3d7d s PRO 502 N -1.79 4.18 0.29 -1.46 0.04 -1.09 -0.47 135.00 134.70 3d7d s PRO 502 Ca 0.38 2.47 -0.30 0.00 0.04 0.00 0.00 61.00 63.59 3d7d s PRO 502 Cb 0.19 -3.00 -0.13 0.00 0.04 0.00 0.00 34.50 31.61 3d7d s PRO 502 CO -0.08 -0.44 1.38 0.45 0.04 0.00 0.00 177.00 178.35 3d7d n SER 503 N 0.61 2.89 0.17 6.66 2.88 0.12 -4.18 113.62 122.77 3d7d n SER 503 Ca 0.01 1.17 0.04 0.00 -1.33 0.00 0.00 58.87 58.76 3d7d n SER 503 Cb 0.40 -1.47 0.27 0.00 -0.75 0.00 0.00 64.21 62.66 3d7d n SER 503 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3d7d h PRO 504 N 3.61 0.00 0.17 -1.46 0.13 -1.91 -3.32 132.00 129.22 3d7d h PRO 504 Ca -0.46 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.35 3d7d h PRO 504 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.41 3d7d h PRO 504 CO 0.71 0.44 -1.63 1.05 -0.23 0.00 0.00 178.00 178.34 3d7d h GLU 505 N 0.00 0.36 -4.66 0.86 9.09 -1.96 -3.48 114.58 114.78 3d7d h GLU 505 Ca -0.00 -0.61 -0.56 0.00 0.05 0.00 0.00 59.36 58.23 3d7d h GLU 505 Cb 1.00 0.23 -0.34 0.00 -1.65 0.00 0.00 28.75 27.98 3d7d h GLU 505 CO 0.06 1.29 -0.83 -0.06 0.05 0.00 0.00 179.01 179.52 3d7d s PHE 506 N -2.55 1.81 0.28 2.06 0.40 -1.25 -5.11 117.98 113.62 3d7d s PHE 506 Ca -0.17 -0.81 -0.29 0.00 -0.60 0.00 0.00 56.93 55.06 3d7d s PHE 506 Cb 0.05 -1.32 -0.10 0.00 0.51 0.00 0.00 43.02 42.16 3d7d s PHE 506 CO 0.83 -0.43 1.35 -1.12 0.70 0.00 0.00 175.22 176.55 3d7d s SER 507 N 0.95 6.76 0.00 1.36 0.01 -1.26 -2.90 113.70 118.62 3d7d s SER 507 Ca -0.08 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.81 3d7d s SER 507 Cb -0.15 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.45 3d7d s SER 507 CO -0.00 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3d7d n GLY 508 N 1.52 0.69 3.42 3.44 0.00 -1.26 -5.03 105.19 107.97 3d7d n GLY 508 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3d7d n GLY 508 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d7d s MET 509 N -0.10 1.55 0.58 1.61 1.00 -1.14 -5.04 119.30 117.76 3d7d s MET 509 Ca 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 55.69 54.33 3d7d s MET 509 Cb 0.00 -1.97 -0.02 0.00 0.00 0.00 0.00 34.83 32.84 3d7d s MET 509 CO 0.00 0.46 0.93 -1.25 0.00 0.00 0.00 175.02 175.16 3d7d s PRO 510 N -2.04 3.27 0.09 2.03 0.04 -1.26 0.14 135.00 137.27 3d7d s PRO 510 Ca 0.15 0.31 -0.31 0.00 0.04 0.00 0.00 61.00 61.20 3d7d s PRO 510 Cb -0.10 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.16 3d7d s PRO 510 CO 0.07 -0.56 1.23 0.50 0.04 0.00 0.00 177.00 178.27 3d7d s ARG 511 N -5.02 4.42 -0.07 4.56 3.52 0.38 -4.12 118.95 122.63 3d7d s ARG 511 Ca 0.53 1.83 0.01 0.00 -0.13 0.00 0.00 55.73 57.97 3d7d s ARG 511 Cb -0.11 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 3d7d s ARG 511 CO 0.48 -0.26 -0.08 0.42 -0.81 0.00 0.00 175.30 175.05 3d7d s ILE 512 N 0.91 0.89 0.42 4.11 1.01 -1.26 -4.58 121.20 122.69 3d7d s ILE 512 Ca 0.59 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.99 3d7d s ILE 512 Cb -0.31 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3d7d s ILE 512 CO 0.30 0.32 0.59 -0.44 0.00 0.00 0.00 174.94 175.71 3d7d s SER 513 N 1.08 5.74 0.62 3.58 0.01 -0.71 -4.94 113.70 119.08 3d7d s SER 513 Ca -0.07 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 56.92 3d7d s SER 513 Cb -0.14 -1.08 -0.02 0.00 0.21 0.00 0.00 66.02 64.98 3d7d s SER 513 CO -0.01 -0.70 1.07 -1.59 0.41 0.00 0.00 173.24 172.42 3d7d s LYS 514 N -4.40 3.16 0.11 12.44 -2.85 -1.26 -2.37 119.74 124.57 3d7d s LYS 514 Ca 0.50 1.19 -0.30 0.00 -1.00 0.00 0.00 55.97 56.37 3d7d s LYS 514 Cb -0.10 -2.01 -0.06 0.00 -2.06 0.00 0.00 37.83 33.60 3d7d s LYS 514 CO 0.34 -0.94 1.06 -0.51 0.10 0.00 0.00 175.35 175.40 3d7d s LEU 515 N -4.74 4.45 0.00 2.77 1.43 -1.26 -4.61 118.68 116.72 3d7d s LEU 515 Ca 0.63 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 3d7d s LEU 515 Cb -0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3d7d s LEU 515 CO 0.41 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.37 3d7d n GLY 516 N 2.45 0.53 0.00 -3.19 0.00 -1.26 -4.07 105.19 99.65 3d7d n GLY 516 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3d7d n GLY 516 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3d7d n SER 517 N 0.00 0.00 0.00 1.61 2.88 -0.38 -4.66 113.62 113.08 3d7d n SER 517 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3d7d n SER 517 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3d7d n SER 517 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d7d n GLY 518 N 0.00 0.66 3.74 0.46 0.00 -1.26 -4.28 105.19 104.52 3d7d n GLY 518 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 3d7d n GLY 518 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d7d s ASN 519 N -2.31 -0.06 0.00 1.61 3.84 -1.26 -5.06 114.94 111.70 3d7d s ASN 519 Ca 0.00 -0.88 0.15 0.00 0.21 0.00 0.00 52.86 52.34 3d7d s ASN 519 Cb 0.00 0.71 0.66 0.00 -0.55 0.00 0.00 41.25 42.07 3d7d s ASN 519 CO 0.00 -1.36 1.46 0.47 -2.79 0.00 0.00 177.10 174.89 3d7d n ASP 520 N -0.71 0.00 0.08 -4.21 8.00 -1.26 -2.01 116.55 116.44 3d7d n ASP 520 Ca -0.04 0.40 0.11 0.00 0.71 0.00 0.00 54.79 55.97 3d7d n ASP 520 Cb 0.60 -0.45 0.44 0.00 -0.02 0.00 0.00 41.12 41.69 3d7d n ASP 520 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 3d7d n PHE 521 N -1.45 0.55 -0.13 1.24 1.16 -1.26 -4.10 117.46 113.46 3d7d n PHE 521 Ca 0.04 0.21 -0.04 0.00 -1.87 0.00 0.00 57.45 55.79 3d7d n PHE 521 Cb 0.16 -0.84 0.04 0.00 -1.61 0.00 0.00 39.48 37.23 3d7d n PHE 521 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3d7d h GLU 522 N 0.00 0.29 -0.56 3.97 4.81 -1.75 -1.06 114.58 120.28 3d7d h GLU 522 Ca 0.00 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3d7d h GLU 522 Cb 0.37 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3d7d h GLU 522 CO 0.00 0.19 -0.10 -0.24 -0.73 0.00 0.00 179.01 178.13 3d7d h VAL 523 N 0.30 1.27 -0.61 0.32 3.04 -1.86 -0.78 116.25 117.93 3d7d h VAL 523 Ca 0.20 -1.27 -0.08 0.00 -1.01 0.00 0.00 66.70 64.54 3d7d h VAL 523 Cb 0.21 0.94 -0.02 0.00 -2.01 0.00 0.00 31.29 30.41 3d7d h VAL 523 CO -0.22 0.45 0.05 -0.26 -1.01 0.00 0.00 177.57 176.58 3d7d h PHE 524 N 0.93 1.12 0.00 3.17 0.04 -1.66 -1.28 116.94 119.26 3d7d h PHE 524 Ca 0.14 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.74 3d7d h PHE 524 Cb 0.68 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3d7d h PHE 524 CO 0.05 0.97 -0.24 0.35 -0.60 0.00 0.00 178.31 178.85 3d7d h PHE 525 N 0.94 0.00 0.00 -0.55 3.57 -1.12 0.92 116.94 120.70 3d7d h PHE 525 Ca 0.18 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3d7d h PHE 525 Cb 0.50 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3d7d h PHE 525 CO 0.04 0.00 -0.60 1.96 -2.23 0.00 0.00 178.31 177.47 3d7d h GLN 526 N -0.75 0.00 0.02 1.11 7.50 -1.32 -1.22 115.11 120.44 3d7d h GLN 526 Ca 0.00 0.00 -0.26 0.00 0.50 0.00 0.00 58.65 58.89 3d7d h GLN 526 Cb 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.73 3d7d h GLN 526 CO 0.00 0.60 -1.40 -2.13 -1.50 0.00 0.00 178.83 174.41 3d7d n ARG 527 N -3.44 0.60 -0.00 1.46 0.63 -1.09 -0.38 116.66 114.43 3d7d n ARG 527 Ca 0.00 0.52 0.10 0.00 -0.92 0.00 0.00 57.85 57.56 3d7d n ARG 527 Cb 0.70 -1.74 -0.14 0.00 0.45 0.00 0.00 32.46 31.73 3d7d n ARG 527 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3d7d n LEU 528 N -4.28 0.68 -1.43 6.15 4.77 -0.50 -4.65 117.00 117.74 3d7d n LEU 528 Ca -0.32 -0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 55.24 3d7d n LEU 528 Cb 0.74 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.86 3d7d n LEU 528 CO 0.23 0.17 0.06 0.61 -1.33 0.00 0.00 177.39 177.13 3d7d n GLY 529 N 1.42 0.42 3.69 -0.72 0.00 -0.46 -4.82 105.19 104.71 3d7d n GLY 529 Ca 0.01 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 3d7d n GLY 529 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d7d s ILE 530 N -3.01 5.34 -0.05 -0.61 1.01 0.24 -2.03 121.20 122.10 3d7d s ILE 530 Ca 0.17 0.31 -0.37 0.00 0.00 0.00 0.00 60.65 60.76 3d7d s ILE 530 Cb -0.08 -3.54 -0.15 0.00 0.01 0.00 0.00 42.46 38.70 3d7d s ILE 530 CO 0.21 0.37 1.61 0.00 0.00 0.00 0.00 174.94 177.13 3d7d n ALA 531 N 3.99 0.04 -2.51 9.38 0.00 -1.26 -4.10 120.51 126.06 3d7d n ALA 531 Ca -0.14 0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.56 3d7d n ALA 531 Cb 0.52 -2.25 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 3d7d n ALA 531 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3d7d s SER 532 N 2.18 1.71 0.25 0.00 0.01 -1.26 -0.88 113.70 115.71 3d7d s SER 532 Ca 0.89 -0.80 -0.12 0.00 1.31 0.00 0.00 55.95 57.24 3d7d s SER 532 Cb -0.89 -0.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 3d7d s SER 532 CO 0.52 -0.20 0.45 -0.83 0.41 0.00 0.00 173.24 173.60 3d7d s GLY 533 N -2.39 0.62 0.01 3.44 0.00 -0.43 -1.62 107.32 106.94 3d7d s GLY 533 Ca 0.06 -0.95 -0.19 0.00 0.00 0.00 0.00 44.72 43.64 3d7d s GLY 533 CO 0.02 -0.69 0.43 1.09 0.00 0.00 0.00 173.10 173.95 3d7d s ARG 534 N -4.00 0.86 -0.10 2.90 1.70 -0.41 -1.12 118.95 118.78 3d7d s ARG 534 Ca 0.24 -0.19 -0.14 0.00 -0.47 0.00 0.00 55.73 55.16 3d7d s ARG 534 Cb -0.00 0.39 0.03 0.00 -0.57 0.00 0.00 34.95 34.80 3d7d s ARG 534 CO 0.09 -0.27 0.37 0.00 -1.08 0.00 0.00 175.30 174.41 3d7d s ALA 535 N -1.85 -0.93 0.26 7.88 0.00 -1.26 -2.10 121.76 123.75 3d7d s ALA 535 Ca -0.09 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 52.58 3d7d s ALA 535 Cb -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3d7d s ALA 535 CO 0.02 -0.21 0.57 -0.98 0.00 0.00 0.00 175.76 175.16 3d7d s ARG 536 N -0.30 1.65 0.19 0.00 1.70 -0.28 -4.90 118.95 117.01 3d7d s ARG 536 Ca -0.04 -1.15 -0.21 0.00 -0.47 0.00 0.00 55.73 53.86 3d7d s ARG 536 Cb -0.03 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.79 3d7d s ARG 536 CO 0.02 -0.71 0.71 0.71 -1.08 0.00 0.00 175.30 174.95 3d7d s TYR 537 N -3.97 3.72 0.34 5.89 1.51 0.10 -0.09 117.35 124.86 3d7d s TYR 537 Ca 0.18 1.41 0.04 0.00 -1.01 0.00 0.00 57.07 57.69 3d7d s TYR 537 Cb -0.03 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3d7d s TYR 537 CO 0.08 0.41 0.17 -0.08 -1.11 0.00 0.00 175.55 175.02 3d7d s THR 538 N -1.40 0.35 0.71 -0.71 -1.32 0.91 -0.64 115.64 113.54 3d7d s THR 538 Ca 0.40 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.84 3d7d s THR 538 Cb -0.18 -2.46 0.10 0.00 -1.51 0.00 0.00 72.50 68.45 3d7d s THR 538 CO 0.22 0.00 0.99 -1.59 -2.21 0.00 0.00 174.62 172.03 3d7d s LYS 539 N -3.71 1.85 -0.92 7.08 -2.85 -1.26 -0.47 119.74 119.46 3d7d s LYS 539 Ca 0.33 -0.77 -0.05 0.00 -1.00 0.00 0.00 55.97 54.48 3d7d s LYS 539 Cb 0.04 -2.27 0.23 0.00 -2.06 0.00 0.00 37.83 33.77 3d7d s LYS 539 CO 0.19 -1.36 0.84 1.21 0.10 0.00 0.00 175.35 176.32 3d7d s ASN 540 N -4.64 6.38 -0.46 0.03 2.47 -1.26 -4.73 114.94 112.72 3d7d s ASN 540 Ca 0.64 -3.49 0.07 0.00 0.42 0.00 0.00 52.86 50.50 3d7d s ASN 540 Cb -0.07 -2.02 0.26 0.00 -1.45 0.00 0.00 41.25 37.97 3d7d s ASN 540 CO 0.44 -0.27 0.85 1.87 -3.72 0.00 0.00 177.10 176.27 3d7d n TRP 541 N 2.73 -2.53 -0.27 0.43 -0.00 -1.26 -5.06 117.44 111.47 3d7d n TRP 541 Ca 0.20 -2.26 0.00 0.00 -0.00 0.00 0.00 57.50 55.44 3d7d n TRP 541 Cb 0.39 1.11 0.05 0.00 -0.00 0.00 0.00 31.31 32.86 3d7d n TRP 541 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 3d7d n GLU 542 N 1.33 -0.15 0.00 5.87 0.00 -1.26 -0.29 120.64 126.15 3d7d n GLU 542 Ca 0.12 1.11 0.14 0.00 0.00 0.00 0.00 57.16 58.53 3d7d n GLU 542 Cb 0.62 -1.66 0.68 0.00 0.00 0.00 0.00 31.44 31.08 3d7d n GLU 542 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3d7d n THR 543 N -5.09 0.04 -0.12 3.84 -2.24 -1.26 -2.21 114.28 107.24 3d7d n THR 543 Ca 0.08 0.01 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 3d7d n THR 543 Cb 0.31 -0.52 0.29 0.00 -2.10 0.00 0.00 70.33 68.30 3d7d n THR 543 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3d7d n ASN 544 N -1.39 3.70 -0.32 3.42 4.13 0.60 -4.71 115.26 120.69 3d7d n ASN 544 Ca 0.10 -2.17 0.15 0.00 1.68 0.00 0.00 54.58 54.34 3d7d n ASN 544 Cb 0.28 -0.47 0.38 0.00 -1.54 0.00 0.00 39.78 38.44 3d7d n ASN 544 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 3d7d h LYS 545 N 3.58 0.63 -0.30 3.52 3.64 -1.44 -1.90 116.57 124.30 3d7d h LYS 545 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3d7d h LYS 545 Cb 1.04 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3d7d h LYS 545 CO 0.09 0.42 0.00 1.19 -2.27 0.00 0.00 179.45 178.88 3d7d n PHE 546 N -4.68 0.39 0.18 1.91 0.99 -1.26 -4.65 117.46 110.34 3d7d n PHE 546 Ca 0.22 -0.42 0.11 0.00 -0.00 0.00 0.00 57.45 57.37 3d7d n PHE 546 Cb 0.63 -0.02 -0.04 0.00 -1.00 0.00 0.00 39.48 39.05 3d7d n PHE 546 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3d7d n SER 547 N 0.54 0.58 0.00 4.37 3.41 -0.71 -4.40 113.62 117.40 3d7d n SER 547 Ca 0.11 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 3d7d n SER 547 Cb 0.40 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 65.27 3d7d n SER 547 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d7d n GLY 548 N 1.24 1.08 3.71 5.00 0.00 -1.25 -4.74 105.19 110.23 3d7d n GLY 548 Ca -0.01 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 3d7d n GLY 548 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d7d s TYR 549 N -2.64 2.14 0.36 1.61 -0.85 -1.26 -4.93 117.35 111.77 3d7d s TYR 549 Ca 0.00 1.57 0.07 0.00 -0.52 0.00 0.00 57.07 58.19 3d7d s TYR 549 Cb 0.00 -3.17 0.77 0.00 0.38 0.00 0.00 41.96 39.95 3d7d s TYR 549 CO 0.00 -2.36 1.92 -1.35 -1.52 0.00 0.00 175.55 172.24 3d7d h PRO 550 N -1.54 0.71 -0.55 -3.49 0.11 -1.83 -2.01 132.00 123.41 3d7d h PRO 550 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3d7d h PRO 550 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3d7d h PRO 550 CO 0.48 0.47 0.00 1.28 -0.21 0.00 0.00 178.00 180.02 3d7d n LEU 551 N -4.51 3.00 -4.69 2.35 4.77 -1.26 -4.52 117.00 112.13 3d7d n LEU 551 Ca 0.14 -1.50 -0.58 0.00 -0.03 0.00 0.00 56.01 54.03 3d7d n LEU 551 Cb 0.34 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.98 3d7d n LEU 551 CO 0.32 0.70 1.21 0.00 -1.33 0.00 0.00 177.39 178.28 3d7d n TYR 552 N 1.01 1.87 -1.41 -1.77 9.36 -0.76 -1.74 117.16 123.72 3d7d n TYR 552 Ca 0.18 0.67 -0.14 0.00 3.32 0.00 0.00 57.90 61.93 3d7d n TYR 552 Cb 0.49 -2.39 -0.06 0.00 -0.63 0.00 0.00 39.34 36.75 3d7d n TYR 552 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3d7d n HIS 553 N 4.59 0.00 -3.79 2.98 8.25 -1.26 -4.56 115.22 121.43 3d7d n HIS 553 Ca 0.26 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.51 3d7d n HIS 553 Cb 0.11 -2.64 -0.02 0.00 1.12 0.00 0.00 29.99 28.56 3d7d n HIS 553 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3d7d s SER 554 N -2.75 6.11 0.45 0.41 0.15 -0.71 -1.94 113.70 115.42 3d7d s SER 554 Ca 0.00 -0.06 0.31 0.00 0.70 0.00 0.00 55.95 56.90 3d7d s SER 554 Cb 0.00 -1.57 1.53 0.00 -1.71 0.00 0.00 66.02 64.27 3d7d s SER 554 CO 0.00 -0.21 1.93 1.62 1.20 0.00 0.00 173.24 177.78 3d7d h VAL 555 N 1.09 0.00 -0.00 4.45 3.04 -1.86 -2.59 116.25 120.38 3d7d h VAL 555 Ca -0.49 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3d7d h VAL 555 Cb 1.24 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 3d7d h VAL 555 CO 0.58 0.00 -0.09 -1.22 -1.01 0.00 0.00 177.57 175.83 3d7d n TYR 556 N -2.64 0.00 -2.53 3.17 4.01 -1.26 -4.60 117.16 113.31 3d7d n TYR 556 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 3d7d n TYR 556 Cb 0.13 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 38.86 3d7d n TYR 556 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3d7d s GLU 557 N -2.64 3.45 0.35 -0.72 2.12 -0.98 -4.68 118.70 115.60 3d7d s GLU 557 Ca 0.25 -0.87 0.04 0.00 0.36 0.00 0.00 54.97 54.75 3d7d s GLU 557 Cb 0.20 -5.07 -0.06 0.00 0.26 0.00 0.00 34.13 29.46 3d7d s GLU 557 CO 0.50 -2.25 0.06 0.95 -0.54 0.00 0.00 175.26 173.98 3d7d s THR 558 N 5.40 1.20 0.27 -1.70 -4.23 -1.26 -1.91 115.64 113.41 3d7d s THR 558 Ca 0.45 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.95 3d7d s THR 558 Cb -0.02 -2.74 0.26 0.00 1.34 0.00 0.00 72.50 71.33 3d7d s THR 558 CO -0.04 0.00 1.82 0.22 -0.54 0.00 0.00 174.62 176.08 3d7d h TYR 559 N 2.02 1.02 -0.43 3.99 3.20 -1.87 -2.47 116.97 122.43 3d7d h TYR 559 Ca -0.41 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.42 3d7d h TYR 559 Cb 1.25 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 3d7d h TYR 559 CO 0.73 0.40 -0.05 0.93 -1.64 0.00 0.00 178.16 178.53 3d7d h GLU 560 N 0.90 0.74 -0.59 1.82 3.07 -1.95 -0.45 114.58 118.11 3d7d h GLU 560 Ca 0.46 -0.21 0.11 0.00 -0.50 0.00 0.00 59.36 59.22 3d7d h GLU 560 Cb 0.46 -0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.20 3d7d h GLU 560 CO -0.27 0.78 0.09 1.25 -1.40 0.00 0.00 179.01 179.46 3d7d h LEU 561 N 0.68 -0.08 0.11 1.33 5.85 -1.72 0.10 115.31 121.58 3d7d h LEU 561 Ca 0.13 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3d7d h LEU 561 Cb 0.49 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.71 3d7d h LEU 561 CO 0.03 -0.03 -0.05 0.58 -0.34 0.00 0.00 178.44 178.63 3d7d h VAL 562 N 0.21 1.07 -0.41 1.05 2.07 -1.18 -1.89 116.25 117.17 3d7d h VAL 562 Ca 0.31 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3d7d h VAL 562 Cb 0.47 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 3d7d h VAL 562 CO -0.43 0.26 0.12 -0.08 0.02 0.00 0.00 177.57 177.47 3d7d h GLU 563 N -0.74 0.59 0.15 1.57 4.22 -1.08 0.19 114.58 119.48 3d7d h GLU 563 Ca -0.02 -0.09 -0.34 0.00 0.08 0.00 0.00 59.36 58.99 3d7d h GLU 563 Cb 0.55 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3d7d h GLU 563 CO 0.03 0.53 -1.76 0.87 -2.18 0.00 0.00 179.01 176.50 3d7d h LYS 564 N 0.58 0.31 0.00 1.92 1.57 -1.06 -3.28 116.57 116.61 3d7d h LYS 564 Ca 0.14 -0.53 -0.07 0.00 -1.87 0.00 0.00 60.65 58.33 3d7d h LYS 564 Cb 0.19 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3d7d h LYS 564 CO -0.01 1.25 -1.36 1.19 -0.57 0.00 0.00 179.45 179.95 3d7d n PHE 565 N -3.65 0.00 -0.14 -1.35 3.72 -0.72 -4.80 117.46 110.52 3d7d n PHE 565 Ca -0.28 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.84 3d7d n PHE 565 Cb 1.02 -0.23 -0.10 0.00 -0.94 0.00 0.00 39.48 39.22 3d7d n PHE 565 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3d7d n TYR 566 N -2.03 0.00 -2.85 1.38 4.02 -0.60 -4.92 117.16 112.16 3d7d n TYR 566 Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.71 3d7d n TYR 566 Cb 0.49 -1.00 0.04 0.00 -0.02 0.00 0.00 39.34 38.85 3d7d n TYR 566 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3d7d n ASP 567 N -4.09 -1.78 0.07 7.72 2.03 -0.04 -4.78 116.55 115.68 3d7d n ASP 567 Ca -0.53 -3.37 0.10 0.00 0.52 0.00 0.00 54.79 51.51 3d7d n ASP 567 Cb 0.90 1.25 0.57 0.00 -0.72 0.00 0.00 41.12 43.13 3d7d n ASP 567 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3d7d h PRO 568 N 3.42 0.21 -0.01 -0.67 0.13 -1.70 0.41 132.00 133.79 3d7d h PRO 568 Ca -0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 3d7d h PRO 568 Cb 1.03 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3d7d h PRO 568 CO 0.28 0.14 -0.18 -1.33 -0.23 0.00 0.00 178.00 176.68 3d7d n MET 569 N -4.48 1.29 -2.01 0.86 2.81 -1.26 -4.95 117.12 109.38 3d7d n MET 569 Ca 0.04 -0.84 -0.19 0.00 -1.81 0.00 0.00 57.70 54.89 3d7d n MET 569 Cb 0.25 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.23 3d7d n MET 569 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3d7d n PHE 570 N -0.12 -0.60 0.06 2.03 3.72 0.13 -4.85 117.46 117.83 3d7d n PHE 570 Ca 0.14 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.46 3d7d n PHE 570 Cb 0.39 -3.56 -0.12 0.00 -0.94 0.00 0.00 39.48 35.24 3d7d n PHE 570 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 3d7d h LYS 571 N 0.00 0.02 -0.17 -1.08 2.10 -1.93 -0.92 116.57 114.59 3d7d h LYS 571 Ca -0.43 -0.03 -0.11 0.00 -2.00 0.00 0.00 60.65 58.07 3d7d h LYS 571 Cb 1.31 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 3d7d h LYS 571 CO 0.56 1.00 -0.33 1.88 -2.00 0.00 0.00 179.45 180.56 3d7d h TYR 572 N 0.01 0.67 -0.43 0.07 0.05 -1.92 -1.87 116.97 113.55 3d7d h TYR 572 Ca -0.03 -0.24 0.08 0.00 0.05 0.00 0.00 58.73 58.59 3d7d h TYR 572 Cb 1.79 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 39.33 3d7d h TYR 572 CO 0.00 0.97 -0.07 0.45 -1.05 0.00 0.00 178.16 178.46 3d7d h HIS 573 N 0.17 -0.16 -0.78 4.88 3.86 -1.89 -0.52 115.15 120.71 3d7d h HIS 573 Ca 0.01 0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3d7d h HIS 573 Cb 0.93 0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.49 3d7d h HIS 573 CO 0.09 -0.15 0.50 1.25 0.86 0.00 0.00 177.93 180.48 3d7d h LEU 574 N 0.03 0.84 -0.44 2.43 5.85 -1.08 0.84 115.31 123.77 3d7d h LEU 574 Ca 0.21 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3d7d h LEU 574 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3d7d h LEU 574 CO -0.41 0.59 0.25 0.74 -0.34 0.00 0.00 178.44 179.27 3d7d h THR 575 N 0.99 1.15 -0.70 1.05 2.02 -0.82 -0.05 112.91 116.56 3d7d h THR 575 Ca 0.31 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3d7d h THR 575 Cb -0.02 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 3d7d h THR 575 CO -0.10 0.15 0.25 0.58 0.37 0.00 0.00 175.52 176.77 3d7d h VAL 576 N 0.58 1.25 -0.79 3.16 2.07 -0.69 -0.68 116.25 121.14 3d7d h VAL 576 Ca 0.16 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3d7d h VAL 576 Cb 0.03 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3d7d h VAL 576 CO -0.03 0.32 0.39 0.00 0.02 0.00 0.00 177.57 178.27 3d7d h ALA 577 N 1.24 1.02 -0.75 1.67 0.00 -0.18 0.46 119.26 122.73 3d7d h ALA 577 Ca 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3d7d h ALA 577 Cb 0.24 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3d7d h ALA 577 CO -0.01 0.58 0.32 1.96 0.00 0.00 0.00 179.25 182.10 3d7d h GLN 578 N 1.12 1.10 0.20 0.00 4.20 -0.28 0.14 115.11 121.57 3d7d h GLN 578 Ca 0.27 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3d7d h GLN 578 Cb 0.11 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.70 3d7d h GLN 578 CO -0.04 0.88 -0.09 0.28 -0.67 0.00 0.00 178.83 179.19 3d7d h VAL 579 N 1.08 0.80 -0.17 -0.54 2.07 -0.71 0.60 116.25 119.38 3d7d h VAL 579 Ca 0.25 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3d7d h VAL 579 Cb 0.17 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3d7d h VAL 579 CO -0.03 0.19 0.09 0.03 0.02 0.00 0.00 177.57 177.88 3d7d h ARG 580 N -0.84 0.24 -0.63 1.57 3.08 -0.94 -1.12 114.38 115.74 3d7d h ARG 580 Ca -0.03 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.90 3d7d h ARG 580 Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3d7d h ARG 580 CO 0.04 0.25 0.03 0.78 -1.07 0.00 0.00 179.97 180.00 3d7d h GLY 581 N 0.17 1.17 1.00 0.04 0.00 -0.82 -2.11 103.07 102.52 3d7d h GLY 581 Ca 0.06 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 3d7d h GLY 581 CO -0.01 0.77 0.36 -1.33 0.00 0.00 0.00 176.54 176.32 3d7d h GLY 582 N 1.01 0.82 0.98 4.60 0.00 -0.77 0.20 103.07 109.91 3d7d h GLY 582 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3d7d h GLY 582 CO 0.03 0.32 0.01 -0.33 0.00 0.00 0.00 176.54 176.57 3d7d h MET 583 N 0.77 0.02 -0.54 4.80 2.07 -1.01 -1.17 114.93 119.87 3d7d h MET 583 Ca 0.21 -0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.85 3d7d h MET 583 Cb -0.04 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.66 3d7d h MET 583 CO -0.04 0.03 0.35 0.28 1.07 0.00 0.00 176.91 178.60 3d7d h VAL 584 N -0.00 1.10 -0.14 -2.22 2.07 -1.07 -0.54 116.25 115.45 3d7d h VAL 584 Ca 0.01 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3d7d h VAL 584 Cb 0.02 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 3d7d h VAL 584 CO -0.00 0.13 -0.01 0.15 0.02 0.00 0.00 177.57 177.86 3d7d h PHE 585 N 0.70 -0.03 -0.34 1.57 3.57 -0.24 -0.02 116.94 122.15 3d7d h PHE 585 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3d7d h PHE 585 Cb -0.04 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3d7d h PHE 585 CO -0.05 -0.03 0.08 0.93 -2.23 0.00 0.00 178.31 177.01 3d7d h GLU 586 N 0.03 0.55 -0.83 1.11 4.39 -0.98 0.46 114.58 119.31 3d7d h GLU 586 Ca 0.07 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.65 3d7d h GLU 586 Cb 0.09 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 3d7d h GLU 586 CO -0.12 0.60 0.55 -0.07 -1.16 0.00 0.00 179.01 178.81 3d7d h LEU 587 N 0.40 0.93 0.00 1.33 3.38 -0.89 -0.13 115.31 120.33 3d7d h LEU 587 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3d7d h LEU 587 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3d7d h LEU 587 CO 0.00 0.66 -0.51 0.00 0.09 0.00 0.00 178.44 178.69 3d7d h ALA 588 N 1.49 0.68 0.00 1.53 0.00 -0.67 -3.41 119.26 118.89 3d7d h ALA 588 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3d7d h ALA 588 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3d7d h ALA 588 CO -0.08 0.00 -0.91 0.09 0.00 0.00 0.00 179.25 178.36 3d7d n ASN 589 N -2.30 4.53 -4.77 0.00 4.13 0.12 -0.52 115.26 116.45 3d7d n ASN 589 Ca 0.03 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.88 3d7d n ASN 589 Cb 0.46 0.75 -0.00 0.00 -1.54 0.00 0.00 39.78 39.45 3d7d n ASN 589 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3d7d s SER 590 N -2.15 6.32 0.06 6.41 0.15 -0.09 -4.73 113.70 119.67 3d7d s SER 590 Ca 0.00 3.05 -0.21 0.00 0.70 0.00 0.00 55.95 59.49 3d7d s SER 590 Cb 0.00 -2.66 -0.12 0.00 -1.71 0.00 0.00 66.02 61.52 3d7d s SER 590 CO 0.00 -0.90 1.48 0.40 1.20 0.00 0.00 173.24 175.42 3d7d h ILE 591 N 3.05 1.26 -3.28 6.45 1.08 -1.96 -3.39 117.51 120.71 3d7d h ILE 591 Ca -0.50 -0.86 -0.59 0.00 -0.39 0.00 0.00 64.86 62.53 3d7d h ILE 591 Cb 1.24 1.53 -0.09 0.00 -3.07 0.00 0.00 36.82 36.43 3d7d h ILE 591 CO 0.67 0.25 -0.23 -0.69 -0.69 0.00 0.00 178.15 177.46 3d7d s VAL 592 N -4.94 5.23 0.27 1.67 1.01 -1.26 -5.02 120.40 117.36 3d7d s VAL 592 Ca -0.14 0.76 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3d7d s VAL 592 Cb 0.06 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 3d7d s VAL 592 CO 0.72 0.38 1.29 0.18 0.00 0.00 0.00 175.10 177.67 3d7d n LEU 593 N 3.45 2.92 -3.09 3.92 4.77 -1.26 -4.82 117.00 122.89 3d7d n LEU 593 Ca -0.10 1.17 -0.34 0.00 -0.03 0.00 0.00 56.01 56.71 3d7d n LEU 593 Cb 0.52 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 3d7d n LEU 593 CO 0.41 -0.69 2.43 -0.81 -1.33 0.00 0.00 177.39 177.41 3d7d n PRO 594 N 1.37 3.69 -4.78 3.23 -0.04 -1.26 -4.85 135.00 132.35 3d7d n PRO 594 Ca 0.09 -2.66 -0.33 0.00 -0.04 0.00 0.00 63.50 60.56 3d7d n PRO 594 Cb 0.32 -2.52 -0.13 0.00 -0.04 0.00 0.00 33.50 31.14 3d7d n PRO 594 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3d7d s PHE 595 N -0.16 2.80 -0.36 0.54 0.08 -1.26 -4.38 117.98 115.23 3d7d s PHE 595 Ca 0.61 -0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.46 3d7d s PHE 595 Cb 0.23 -1.70 0.09 0.00 -0.57 0.00 0.00 43.02 41.07 3d7d s PHE 595 CO -0.10 0.16 0.11 0.34 -0.10 0.00 0.00 175.22 175.63 3d7d s ASP 596 N -0.55 5.06 0.59 1.36 -1.08 -1.07 -4.98 116.67 116.00 3d7d s ASP 596 Ca 0.08 -1.76 0.30 0.00 -0.52 0.00 0.00 52.55 50.65 3d7d s ASP 596 Cb -0.12 -1.76 1.78 0.00 -1.46 0.00 0.00 42.92 41.36 3d7d s ASP 596 CO 0.02 -0.42 2.19 0.00 0.52 0.00 0.00 175.17 177.48 3d7d h ARG 598 N 0.00 0.00 -0.10 0.00 3.08 -1.94 -1.80 114.38 113.62 3d7d h ARG 598 Ca 0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 3d7d h ARG 598 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3d7d h ARG 598 CO -0.00 0.16 -0.42 -0.44 -1.07 0.00 0.00 179.97 178.20 3d7d h ASP 599 N 0.00 0.24 -0.64 7.04 3.32 -1.70 -1.90 116.42 122.78 3d7d h ASP 599 Ca -0.00 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.89 3d7d h ASP 599 Cb 0.38 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3d7d h ASP 599 CO 0.02 0.64 0.17 0.22 -1.72 0.00 0.00 179.24 178.56 3d7d h TYR 600 N 0.19 1.09 -0.86 4.55 5.03 -1.44 -2.66 116.97 122.87 3d7d h TYR 600 Ca 0.02 -0.12 0.01 0.00 2.58 0.00 0.00 58.73 61.21 3d7d h TYR 600 Cb 0.82 -0.31 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 3d7d h TYR 600 CO 0.01 0.88 0.56 0.00 -1.32 0.00 0.00 178.16 178.30 3d7d h ALA 601 N 1.18 1.10 -0.09 1.82 0.00 -1.12 -0.96 119.26 121.19 3d7d h ALA 601 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3d7d h ALA 601 Cb 0.34 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3d7d h ALA 601 CO -0.00 0.52 0.05 0.28 0.00 0.00 0.00 179.25 180.10 3d7d h VAL 602 N 1.17 1.04 -0.09 0.00 2.07 -1.35 -2.64 116.25 116.45 3d7d h VAL 602 Ca 0.31 -0.10 -0.14 0.00 0.82 0.00 0.00 66.70 67.59 3d7d h VAL 602 Cb -0.11 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3d7d h VAL 602 CO -0.07 0.04 -0.54 -0.37 0.02 0.00 0.00 177.57 176.65 3d7d h VAL 603 N 0.09 1.36 -0.88 2.57 -1.51 -1.11 -2.71 116.25 114.06 3d7d h VAL 603 Ca 0.03 -1.83 0.03 0.00 -1.23 0.00 0.00 66.70 63.70 3d7d h VAL 603 Cb 0.02 1.89 -0.05 0.00 -2.13 0.00 0.00 31.29 31.01 3d7d h VAL 603 CO -0.01 0.55 0.58 -0.07 -1.23 0.00 0.00 177.57 177.39 3d7d h LEU 604 N 0.21 0.96 -0.41 4.19 3.38 -1.03 0.17 115.31 122.77 3d7d h LEU 604 Ca 0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3d7d h LEU 604 Cb 1.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 3d7d h LEU 604 CO 0.09 0.66 0.02 -0.09 0.09 0.00 0.00 178.44 179.21 3d7d h ARG 605 N 1.11 0.70 -0.27 1.13 9.65 -1.19 0.88 114.38 126.40 3d7d h ARG 605 Ca 0.35 -0.21 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 3d7d h ARG 605 Cb 0.00 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 3d7d h ARG 605 CO -0.10 0.78 0.05 -0.22 2.80 0.00 0.00 179.97 183.28 3d7d h LYS 606 N 0.54 0.15 -0.37 0.20 3.64 -1.06 0.44 116.57 120.11 3d7d h LYS 606 Ca 0.12 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 3d7d h LYS 606 Cb 0.45 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3d7d h LYS 606 CO 0.02 0.10 -0.19 1.88 -2.27 0.00 0.00 179.45 178.99 3d7d h TYR 607 N 0.15 0.77 -0.34 1.91 0.05 -0.49 -1.12 116.97 117.90 3d7d h TYR 607 Ca 0.13 -0.16 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 3d7d h TYR 607 Cb 0.13 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3d7d h TYR 607 CO -0.16 0.83 0.11 0.00 -1.05 0.00 0.00 178.16 177.88 3d7d h ALA 608 N 1.18 0.45 -0.89 3.88 0.00 -0.45 -0.61 119.26 122.81 3d7d h ALA 608 Ca 0.09 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.94 3d7d h ALA 608 Cb 0.66 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 3d7d h ALA 608 CO 0.05 0.09 0.53 -0.44 0.00 0.00 0.00 179.25 179.48 3d7d h ASP 609 N 0.40 0.78 -0.24 0.00 3.32 -0.71 -1.20 116.42 118.77 3d7d h ASP 609 Ca 0.11 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3d7d h ASP 609 Cb 0.25 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3d7d h ASP 609 CO -0.00 0.44 -0.02 0.50 -1.72 0.00 0.00 179.24 178.44 3d7d h LYS 610 N 0.88 0.43 -0.25 3.56 3.64 -0.83 -1.20 116.57 122.81 3d7d h LYS 610 Ca 0.43 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 59.50 3d7d h LYS 610 Cb 0.38 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3d7d h LYS 610 CO -0.24 0.63 -0.48 0.97 -2.27 0.00 0.00 179.45 178.05 3d7d h ILE 611 N 0.19 1.30 -0.70 2.00 6.09 -0.93 -2.12 117.51 123.35 3d7d h ILE 611 Ca 0.07 -1.68 0.06 0.00 -1.37 0.00 0.00 64.86 61.94 3d7d h ILE 611 Cb 0.45 1.62 -0.06 0.00 0.47 0.00 0.00 36.82 39.30 3d7d h ILE 611 CO 0.02 0.54 0.39 0.22 -3.07 0.00 0.00 178.15 176.24 3d7d h TYR 612 N 0.53 0.72 -0.57 2.19 3.20 -1.18 -1.86 116.97 120.01 3d7d h TYR 612 Ca 0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3d7d h TYR 612 Cb 1.03 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3d7d h TYR 612 CO 0.05 0.34 0.20 0.66 -1.64 0.00 0.00 178.16 177.77 3d7d h SER 613 N 0.72 0.77 -0.56 -2.11 4.64 -0.86 0.07 113.55 116.21 3d7d h SER 613 Ca 0.31 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 3d7d h SER 613 Cb 0.20 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 3d7d h SER 613 CO -0.19 0.72 0.26 0.40 -0.87 0.00 0.00 176.83 177.15 3d7d h ILE 614 N 0.82 1.21 -0.39 0.95 2.04 -0.94 -3.00 117.51 118.21 3d7d h ILE 614 Ca 0.19 -0.61 -0.10 0.00 1.00 0.00 0.00 64.86 65.34 3d7d h ILE 614 Cb 0.21 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3d7d h ILE 614 CO -0.01 0.24 -0.15 -1.28 0.00 0.00 0.00 178.15 176.95 3d7d h SER 615 N 0.77 0.70 0.07 1.72 0.87 -0.58 -2.86 113.55 114.24 3d7d h SER 615 Ca 0.19 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3d7d h SER 615 Cb 0.14 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3d7d h SER 615 CO -0.02 0.87 0.00 0.23 -0.53 0.00 0.00 176.83 177.38 3d7d n MET 616 N -4.15 0.53 0.00 2.24 2.81 -0.06 -0.60 117.12 117.88 3d7d n MET 616 Ca 0.01 0.02 0.08 0.00 -1.81 0.00 0.00 57.70 56.00 3d7d n MET 616 Cb 0.38 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.77 3d7d n MET 616 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3d7d n LYS 617 N -1.06 0.06 -2.89 0.03 4.76 -1.08 -3.97 118.16 114.01 3d7d n LYS 617 Ca 0.13 0.19 -0.24 0.00 -2.87 0.00 0.00 58.31 55.52 3d7d n LYS 617 Cb 0.08 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 3d7d n LYS 617 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3d7d n HIS 618 N -1.45 2.87 -0.16 2.13 8.25 0.23 -4.96 115.22 122.13 3d7d n HIS 618 Ca 0.05 -3.71 0.00 0.00 -0.26 0.00 0.00 57.72 53.80 3d7d n HIS 618 Cb 0.18 -0.39 0.26 0.00 1.12 0.00 0.00 29.99 31.15 3d7d n HIS 618 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3d7d h PRO 619 N 2.92 0.89 -0.59 -0.41 0.13 -1.77 -1.68 132.00 131.48 3d7d h PRO 619 Ca 0.14 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3d7d h PRO 619 Cb 0.73 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 3d7d h PRO 619 CO 0.73 0.64 0.34 0.37 -0.23 0.00 0.00 178.00 179.85 3d7d h GLN 620 N 0.90 0.81 -0.36 0.86 5.75 -1.95 -0.96 115.11 120.17 3d7d h GLN 620 Ca 0.23 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.54 3d7d h GLN 620 Cb -0.00 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 3d7d h GLN 620 CO -0.04 0.61 -0.20 0.93 -2.65 0.00 0.00 178.83 177.47 3d7d h GLU 621 N 0.80 0.68 -0.18 1.69 3.07 -1.83 -0.26 114.58 118.55 3d7d h GLU 621 Ca 0.21 -0.26 -0.08 0.00 -0.50 0.00 0.00 59.36 58.74 3d7d h GLU 621 Cb 0.02 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 3d7d h GLU 621 CO -0.04 0.83 -0.23 0.52 -1.40 0.00 0.00 179.01 178.70 3d7d h MET 622 N 0.60 0.32 0.07 2.33 2.86 -0.85 -0.90 114.93 119.36 3d7d h MET 622 Ca 0.09 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3d7d h MET 622 Cb 0.67 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3d7d h MET 622 CO 0.05 0.54 -0.03 0.87 1.06 0.00 0.00 176.91 179.39 3d7d h LYS 623 N 0.29 -0.09 -0.56 1.72 1.57 -0.72 -0.30 116.57 118.48 3d7d h LYS 623 Ca 0.05 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3d7d h LYS 623 Cb 0.57 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 3d7d h LYS 623 CO 0.04 0.27 0.36 1.15 -0.57 0.00 0.00 179.45 180.70 3d7d h THR 624 N -0.46 1.11 -0.51 -0.16 2.02 -0.84 -2.95 112.91 111.12 3d7d h THR 624 Ca -0.01 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3d7d h THR 624 Cb 0.40 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3d7d h THR 624 CO 0.02 0.13 0.00 -1.22 0.37 0.00 0.00 175.52 174.82 3d7d n TYR 625 N -4.73 0.67 -3.57 3.16 4.01 -0.36 -4.97 117.16 111.37 3d7d n TYR 625 Ca 0.04 -0.37 -0.20 0.00 -0.16 0.00 0.00 57.90 57.22 3d7d n TYR 625 Cb 0.05 -0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.13 3d7d n TYR 625 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d7d n SER 626 N 1.43 -1.93 -4.54 7.72 2.88 -0.59 -4.91 113.62 113.69 3d7d n SER 626 Ca 0.20 -0.74 -0.43 0.00 -1.33 0.00 0.00 58.87 56.57 3d7d n SER 626 Cb 0.58 -4.52 -0.04 0.00 -0.75 0.00 0.00 64.21 59.49 3d7d n SER 626 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3d7d s VAL 627 N -3.53 4.40 -0.10 2.46 1.01 -0.23 -5.01 120.40 119.40 3d7d s VAL 627 Ca 0.04 0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.47 3d7d s VAL 627 Cb -0.01 -4.51 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 3d7d s VAL 627 CO 0.78 -1.04 -0.12 -0.55 0.00 0.00 0.00 175.10 174.17 3d7d s SER 628 N 2.67 4.18 0.00 3.32 0.15 -1.26 -4.88 113.70 117.87 3d7d s SER 628 Ca 0.33 -0.23 0.17 0.00 0.70 0.00 0.00 55.95 56.92 3d7d s SER 628 Cb -0.12 -1.33 0.51 0.00 -1.71 0.00 0.00 66.02 63.37 3d7d s SER 628 CO 0.22 0.25 1.41 0.49 1.20 0.00 0.00 173.24 176.80 3d7d n PHE 629 N 2.98 0.51 -0.34 3.44 3.72 -1.26 -4.57 117.46 121.94 3d7d n PHE 629 Ca -0.18 -0.26 0.07 0.00 -0.05 0.00 0.00 57.45 57.03 3d7d n PHE 629 Cb 0.53 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.29 3d7d n PHE 629 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3d7d h ASP 630 N 2.88 0.84 -0.55 4.37 3.32 -2.00 -1.29 116.42 124.00 3d7d h ASP 630 Ca 0.00 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3d7d h ASP 630 Cb 0.65 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3d7d h ASP 630 CO 0.00 0.44 0.02 0.77 -1.72 0.00 0.00 179.24 178.75 3d7d h SER 631 N 0.92 0.96 -0.25 6.45 4.64 -1.96 -0.24 113.55 124.06 3d7d h SER 631 Ca 0.48 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.51 3d7d h SER 631 Cb 0.50 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3d7d h SER 631 CO -0.28 1.00 0.02 0.25 -0.87 0.00 0.00 176.83 176.95 3d7d h LEU 632 N 0.91 0.42 -0.93 5.97 5.85 -1.55 -1.04 115.31 124.94 3d7d h LEU 632 Ca 0.17 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3d7d h LEU 632 Cb 0.51 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3d7d h LEU 632 CO 0.02 0.61 0.32 -0.26 -0.34 0.00 0.00 178.44 178.79 3d7d h PHE 633 N 0.22 1.10 -0.41 1.25 0.04 -1.31 -1.06 116.94 116.78 3d7d h PHE 633 Ca 0.07 -0.07 0.05 0.00 2.80 0.00 0.00 57.97 60.82 3d7d h PHE 633 Cb 0.38 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 3d7d h PHE 633 CO 0.03 0.83 0.15 1.03 -0.60 0.00 0.00 178.31 179.75 3d7d h SER 634 N 1.08 0.17 -0.84 2.17 0.87 -0.91 0.00 113.55 116.09 3d7d h SER 634 Ca 0.25 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3d7d h SER 634 Cb 0.17 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.12 3d7d h SER 634 CO -0.03 0.13 0.48 0.00 -0.53 0.00 0.00 176.83 176.89 3d7d h ALA 635 N 1.26 1.07 -0.49 6.23 0.00 -0.75 -0.25 119.26 126.33 3d7d h ALA 635 Ca 0.19 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3d7d h ALA 635 Cb 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3d7d h ALA 635 CO -0.19 0.55 -0.10 0.28 0.00 0.00 0.00 179.25 179.79 3d7d h VAL 636 N 1.16 1.27 -0.63 0.00 2.07 -0.88 0.13 116.25 119.37 3d7d h VAL 636 Ca 0.30 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3d7d h VAL 636 Cb -0.01 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3d7d h VAL 636 CO -0.05 0.43 0.39 0.50 0.02 0.00 0.00 177.57 178.86 3d7d h LYS 637 N 0.79 0.85 -0.61 1.57 3.64 -0.67 0.23 116.57 122.37 3d7d h LYS 637 Ca 0.13 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3d7d h LYS 637 Cb 0.66 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3d7d h LYS 637 CO 0.05 0.60 0.14 -0.91 -2.27 0.00 0.00 179.45 177.05 3d7d h ASN 638 N 0.86 0.94 -0.71 4.20 2.35 -0.71 -1.30 115.58 121.20 3d7d h ASN 638 Ca 0.23 -0.24 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3d7d h ASN 638 Cb -0.05 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.03 3d7d h ASN 638 CO -0.04 0.93 0.44 0.15 -1.65 0.00 0.00 177.43 177.26 3d7d h PHE 639 N 0.90 0.82 -0.29 1.19 3.57 -0.31 0.60 116.94 123.43 3d7d h PHE 639 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3d7d h PHE 639 Cb 0.36 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3d7d h PHE 639 CO 0.03 0.46 0.13 1.15 -2.23 0.00 0.00 178.31 177.85 3d7d h THR 640 N 0.86 1.16 -0.14 4.41 2.02 -0.53 0.75 112.91 121.43 3d7d h THR 640 Ca 0.29 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3d7d h THR 640 Cb 0.04 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3d7d h THR 640 CO -0.12 0.16 0.08 -0.33 0.37 0.00 0.00 175.52 175.69 3d7d h GLU 641 N 0.33 0.20 -0.42 6.66 5.08 -0.92 -1.11 114.58 124.40 3d7d h GLU 641 Ca 0.10 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3d7d h GLU 641 Cb 0.14 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3d7d h GLU 641 CO -0.01 0.21 -0.24 0.82 -1.00 0.00 0.00 179.01 178.79 3d7d h ILE 642 N 0.14 1.27 -0.66 3.13 2.04 -0.75 -2.39 117.51 120.28 3d7d h ILE 642 Ca 0.05 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.45 3d7d h ILE 642 Cb 0.07 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3d7d h ILE 642 CO -0.01 0.47 0.13 0.00 0.00 0.00 0.00 178.15 178.75 3d7d h ALA 643 N 0.96 0.98 -0.42 1.87 0.00 -0.80 0.11 119.26 121.96 3d7d h ALA 643 Ca 0.10 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3d7d h ALA 643 Cb 0.79 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3d7d h ALA 643 CO 0.07 0.65 0.22 1.03 0.00 0.00 0.00 179.25 181.21 3d7d h SER 644 N 1.01 0.32 -0.47 0.00 0.87 -0.91 -0.98 113.55 113.41 3d7d h SER 644 Ca 0.21 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 3d7d h SER 644 Cb 0.39 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 3d7d h SER 644 CO 0.01 0.23 -0.12 0.11 -0.53 0.00 0.00 176.83 176.53 3d7d h LYS 645 N 0.44 0.94 -0.66 2.24 1.79 -1.14 -2.31 116.57 117.87 3d7d h LYS 645 Ca 0.18 -0.34 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 3d7d h LYS 645 Cb 0.07 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.63 3d7d h LYS 645 CO -0.12 1.00 0.27 0.35 -1.08 0.00 0.00 179.45 179.88 3d7d h PHE 646 N 0.84 0.99 -0.65 -1.35 3.57 -0.55 -1.86 116.94 117.94 3d7d h PHE 646 Ca 0.13 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3d7d h PHE 646 Cb 0.66 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3d7d h PHE 646 CO 0.04 0.77 0.41 1.03 -2.23 0.00 0.00 178.31 178.33 3d7d h SER 647 N 0.92 0.70 -0.24 0.41 0.87 -0.96 0.97 113.55 116.21 3d7d h SER 647 Ca 0.22 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.80 3d7d h SER 647 Cb 0.19 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3d7d h SER 647 CO -0.02 0.49 0.06 -0.33 -0.53 0.00 0.00 176.83 176.50 3d7d h GLU 648 N 0.83 0.16 -0.40 2.24 5.08 -1.15 -0.93 114.58 120.40 3d7d h GLU 648 Ca 0.25 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3d7d h GLU 648 Cb -0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3d7d h GLU 648 CO -0.08 0.10 0.09 0.00 -1.00 0.00 0.00 179.01 178.13 3d7d h ARG 649 N 0.16 0.59 -0.13 2.33 3.08 -0.70 0.65 114.38 120.37 3d7d h ARG 649 Ca 0.11 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3d7d h ARG 649 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3d7d h ARG 649 CO -0.13 0.55 -0.38 1.25 -1.07 0.00 0.00 179.97 180.18 3d7d h LEU 650 N 0.58 0.29 0.00 3.04 5.85 -0.11 0.06 115.31 125.02 3d7d h LEU 650 Ca 0.13 -0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.55 3d7d h LEU 650 Cb 0.23 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3d7d h LEU 650 CO -0.00 0.65 -0.96 0.06 -0.34 0.00 0.00 178.44 177.85 3d7d h GLN 651 N 0.24 0.00 -0.01 1.25 3.07 -0.51 -3.36 115.11 115.78 3d7d h GLN 651 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 3d7d h GLN 651 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.35 3d7d h GLN 651 CO 0.06 0.80 -0.40 -0.25 0.09 0.00 0.00 178.83 179.14 3d7d n ASP 652 N -3.27 1.84 0.00 0.06 10.43 0.16 -5.11 116.55 120.66 3d7d n ASP 652 Ca -0.01 -1.40 0.00 0.00 2.57 0.00 0.00 54.79 55.95 3d7d n ASP 652 Cb 0.90 0.37 0.00 0.00 1.84 0.00 0.00 41.12 44.23 3d7d n ASP 652 CO 0.00 0.00 0.00 2.22 -1.07 0.00 0.00 177.20 178.35 3d7d n PHE 653 N -0.09 0.00 -0.10 1.24 1.16 -0.02 -5.01 117.46 114.63 3d7d n PHE 653 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 3d7d n PHE 653 Cb 0.45 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 3d7d n PHE 653 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 3d7d n SER 656 N 0.00 -0.49 -4.37 5.98 3.41 -1.26 -5.13 113.62 111.75 3d7d n SER 656 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 3d7d n SER 656 Cb 0.00 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 3d7d n SER 656 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3d7d s ASN 657 N -0.23 6.19 0.21 4.04 3.84 -1.26 -4.97 114.94 122.75 3d7d s ASN 657 Ca 0.00 -1.41 -0.09 0.00 0.21 0.00 0.00 52.86 51.56 3d7d s ASN 657 Cb 0.00 -2.28 0.24 0.00 -0.55 0.00 0.00 41.25 38.66 3d7d s ASN 657 CO 0.00 -1.02 1.80 -0.65 -2.79 0.00 0.00 177.10 174.43 3d7d h PRO 658 N 9.09 0.61 -0.35 0.43 0.11 -2.05 -1.00 132.00 138.84 3d7d h PRO 658 Ca -0.29 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.61 3d7d h PRO 658 Cb 1.09 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3d7d h PRO 658 CO 1.06 0.41 -0.44 0.82 -0.21 0.00 0.00 178.00 179.64 3d7d h ILE 659 N 0.63 1.27 -0.81 4.15 1.08 -1.98 0.79 117.51 122.64 3d7d h ILE 659 Ca 0.30 -1.62 -0.04 0.00 -0.39 0.00 0.00 64.86 63.10 3d7d h ILE 659 Cb 0.22 1.46 -0.04 0.00 -3.07 0.00 0.00 36.82 35.40 3d7d h ILE 659 CO -0.20 0.54 0.33 0.58 -0.69 0.00 0.00 178.15 178.71 3d7d h VAL 660 N 0.73 1.26 -0.43 1.67 2.07 -1.93 -2.17 116.25 117.45 3d7d h VAL 660 Ca 0.04 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 3d7d h VAL 660 Cb 1.04 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3d7d h VAL 660 CO 0.11 0.34 0.15 0.25 0.02 0.00 0.00 177.57 178.43 3d7d h LEU 661 N 1.17 0.61 -1.99 2.57 5.85 -1.06 -1.67 115.31 120.80 3d7d h LEU 661 Ca 0.27 -0.19 0.20 0.00 0.84 0.00 0.00 57.88 59.01 3d7d h LEU 661 Cb 0.20 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3d7d h LEU 661 CO -0.02 0.63 0.51 -0.09 -0.34 0.00 0.00 178.44 179.12 3d7d h ARG 662 N 0.55 0.01 -0.01 1.25 9.65 -0.40 -2.80 114.38 122.64 3d7d h ARG 662 Ca 0.14 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.98 3d7d h ARG 662 Cb 0.23 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3d7d h ARG 662 CO -0.01 0.01 -0.16 0.52 2.80 0.00 0.00 179.97 183.13 3d7d h MET 663 N 0.01 0.13 -0.14 0.20 2.86 -0.69 -2.15 114.93 115.16 3d7d h MET 663 Ca 0.33 -0.13 -0.17 0.00 -2.06 0.00 0.00 59.70 57.68 3d7d h MET 663 Cb 1.33 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 3d7d h MET 663 CO -0.01 0.84 -0.61 0.52 1.06 0.00 0.00 176.91 178.72 3d7d h MET 664 N -0.54 0.47 -0.60 1.72 2.86 -1.53 -1.01 114.93 116.29 3d7d h MET 664 Ca -0.02 -0.32 -0.06 0.00 -2.06 0.00 0.00 59.70 57.24 3d7d h MET 664 Cb 0.89 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 3d7d h MET 664 CO 0.03 0.93 0.12 -0.91 1.06 0.00 0.00 176.91 178.15 3d7d h ASN 665 N 0.35 0.91 -0.59 1.22 2.35 -1.57 -1.40 115.58 116.85 3d7d h ASN 665 Ca -0.01 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.47 3d7d h ASN 665 Cb 1.15 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 3d7d h ASN 665 CO 0.11 0.90 0.05 0.44 -1.65 0.00 0.00 177.43 177.28 3d7d h ASP 666 N 0.91 0.97 -0.70 5.81 3.32 -1.12 0.52 116.42 126.13 3d7d h ASP 666 Ca 0.19 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 57.01 3d7d h ASP 666 Cb 0.37 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.60 3d7d h ASP 666 CO 0.00 1.01 0.40 1.56 -1.72 0.00 0.00 179.24 180.50 3d7d h GLN 667 N 0.90 0.71 -0.51 3.56 4.20 -0.94 0.12 115.11 123.15 3d7d h GLN 667 Ca 0.17 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 3d7d h GLN 667 Cb 0.48 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3d7d h GLN 667 CO 0.02 0.47 0.01 -0.07 -0.67 0.00 0.00 178.83 178.60 3d7d h LEU 668 N 0.74 0.86 -0.30 1.46 3.38 -0.82 -2.54 115.31 118.09 3d7d h LEU 668 Ca 0.31 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3d7d h LEU 668 Cb 0.18 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3d7d h LEU 668 CO -0.18 0.95 -0.35 -0.03 0.09 0.00 0.00 178.44 178.93 3d7d h MET 669 N 0.75 0.76 -0.00 1.13 4.05 -0.60 -2.99 114.93 118.04 3d7d h MET 669 Ca 0.14 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 3d7d h MET 669 Cb 0.50 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 3d7d h MET 669 CO 0.02 1.04 -0.01 1.19 0.23 0.00 0.00 176.91 179.39 3d7d n PHE 670 N -4.20 0.00 -0.06 1.39 3.72 0.39 -3.97 117.46 114.74 3d7d n PHE 670 Ca -0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.24 3d7d n PHE 670 Cb 0.51 -0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 38.93 3d7d n PHE 670 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3d7d h LEU 671 N 0.27 0.34 -1.28 4.37 5.85 -1.29 -0.01 115.31 123.56 3d7d h LEU 671 Ca 0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3d7d h LEU 671 Cb 0.11 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3d7d h LEU 671 CO 0.00 0.69 0.42 -0.08 -0.34 0.00 0.00 178.44 179.13 3d7d h GLU 672 N -0.01 0.90 -0.24 1.25 4.57 -1.75 -1.69 114.58 117.61 3d7d h GLU 672 Ca 0.03 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3d7d h GLU 672 Cb 0.57 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 3d7d h GLU 672 CO 0.03 0.62 0.05 -0.09 -1.18 0.00 0.00 179.01 178.43 3d7d h ARG 673 N 0.93 0.34 0.00 1.92 9.65 -0.87 -2.24 114.38 124.11 3d7d h ARG 673 Ca 0.25 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.08 3d7d h ARG 673 Cb -0.06 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 3d7d h ARG 673 CO -0.05 0.33 0.00 0.00 2.80 0.00 0.00 179.97 183.06 3d7d h ALA 674 N 1.72 1.00 -0.00 2.80 0.00 -0.02 -2.15 119.26 122.60 3d7d h ALA 674 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3d7d h ALA 674 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3d7d h ALA 674 CO -0.00 0.00 -0.00 1.19 0.00 0.00 0.00 179.25 180.44 3d7d n PHE 675 N -3.06 0.00 -2.74 0.00 3.72 -0.84 -4.57 117.46 109.97 3d7d n PHE 675 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3d7d n PHE 675 Cb 0.20 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.62 3d7d n PHE 675 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3d7d s ILE 676 N -2.18 4.73 -0.23 4.37 -1.09 -0.81 -1.01 121.20 124.97 3d7d s ILE 676 Ca 0.42 2.02 -0.07 0.00 -2.23 0.00 0.00 60.65 60.79 3d7d s ILE 676 Cb 0.21 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 3d7d s ILE 676 CO 0.40 0.23 0.06 -0.62 -1.23 0.00 0.00 174.94 173.78 3d7d s ASP 677 N 0.57 5.15 0.50 3.58 -1.08 0.11 -4.96 116.67 120.53 3d7d s ASP 677 Ca 0.49 -0.17 0.34 0.00 -0.52 0.00 0.00 52.55 52.68 3d7d s ASP 677 Cb -0.22 -1.91 1.65 0.00 -1.46 0.00 0.00 42.92 40.98 3d7d s ASP 677 CO 0.28 0.00 2.01 1.55 0.52 0.00 0.00 175.17 179.54 3d7d h PRO 678 N 7.96 0.00 -0.01 4.34 0.13 -1.97 -0.87 132.00 141.58 3d7d h PRO 678 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3d7d h PRO 678 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3d7d h PRO 678 CO 0.59 0.00 -0.15 1.28 -0.23 0.00 0.00 178.00 179.49 3d7d n LEU 679 N -2.77 0.66 -0.70 1.56 4.77 -1.26 -5.04 117.00 114.21 3d7d n LEU 679 Ca -0.01 -0.09 0.09 0.00 -0.03 0.00 0.00 56.01 55.98 3d7d n LEU 679 Cb 0.15 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3d7d n LEU 679 CO 0.20 0.12 -0.14 0.61 -1.33 0.00 0.00 177.39 176.85 3d7d n GLY 680 N 1.29 -1.66 3.91 -0.72 0.00 -0.33 -4.81 105.19 102.87 3d7d n GLY 680 Ca 0.14 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 3d7d n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d7d s LEU 681 N -4.70 3.31 -0.13 0.99 1.43 -0.35 -4.95 118.68 114.27 3d7d s LEU 681 Ca 0.00 0.81 -0.36 0.00 -1.03 0.00 0.00 54.13 53.55 3d7d s LEU 681 Cb 0.00 -3.67 -0.13 0.00 0.03 0.00 0.00 46.19 42.42 3d7d s LEU 681 CO 0.00 -0.95 1.84 -2.65 0.23 0.00 0.00 176.35 174.82 3d7d n PRO 682 N -2.53 1.90 -1.08 1.29 -0.02 -1.26 -0.93 135.00 132.36 3d7d n PRO 682 Ca 0.04 0.70 -0.05 0.00 -2.02 0.00 0.00 63.50 62.17 3d7d n PRO 682 Cb 0.57 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3d7d n PRO 682 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3d7d n ASP 683 N 6.22 -5.49 -3.42 2.55 8.00 -1.26 -4.88 116.55 118.27 3d7d n ASP 683 Ca 0.24 0.11 -0.26 0.00 0.71 0.00 0.00 54.79 55.59 3d7d n ASP 683 Cb 0.25 -3.60 -0.09 0.00 -0.02 0.00 0.00 41.12 37.66 3d7d n ASP 683 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3d7d n ARG 684 N 0.17 0.93 0.31 -1.24 1.74 -0.11 -4.98 116.66 113.48 3d7d n ARG 684 Ca -0.05 -3.61 0.19 0.00 -0.77 0.00 0.00 57.85 53.62 3d7d n ARG 684 Cb 0.51 -1.72 0.98 0.00 -1.02 0.00 0.00 32.46 31.21 3d7d n ARG 684 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3d7d h PRO 685 N 4.91 0.00 -0.02 5.56 0.13 -1.88 -1.58 132.00 139.12 3d7d h PRO 685 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3d7d h PRO 685 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3d7d h PRO 685 CO 0.52 0.02 -0.08 1.19 -0.23 0.00 0.00 178.00 179.41 3d7d n PHE 686 N -3.19 0.00 -3.46 1.56 3.72 -1.26 -4.43 117.46 110.40 3d7d n PHE 686 Ca -0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.95 3d7d n PHE 686 Cb 0.17 -0.02 -0.07 0.00 -0.94 0.00 0.00 39.48 38.62 3d7d n PHE 686 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3d7d s TYR 687 N -2.12 3.34 -0.56 1.38 2.02 -0.61 -3.79 117.35 117.02 3d7d s TYR 687 Ca 0.31 -1.57 0.11 0.00 -0.37 0.00 0.00 57.07 55.55 3d7d s TYR 687 Cb 0.20 -3.54 -0.10 0.00 -0.40 0.00 0.00 41.96 38.12 3d7d s TYR 687 CO 0.37 -0.98 0.48 0.54 -1.57 0.00 0.00 175.55 174.39 3d7d n ARG 688 N 5.05 3.33 -2.65 -0.62 1.74 0.49 -1.22 116.66 122.78 3d7d n ARG 688 Ca -0.11 -0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 3d7d n ARG 688 Cb 0.41 -1.02 -0.03 0.00 -1.02 0.00 0.00 32.46 30.80 3d7d n ARG 688 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3d7d s HIS 689 N -1.95 3.59 -0.24 -1.55 2.46 -1.01 0.05 115.29 116.63 3d7d s HIS 689 Ca 0.05 1.61 0.18 0.00 0.47 0.00 0.00 55.06 57.36 3d7d s HIS 689 Cb 0.08 -3.19 0.12 0.00 -0.13 0.00 0.00 32.58 29.47 3d7d s HIS 689 CO 0.42 -0.28 1.43 0.28 -2.47 0.00 0.00 174.74 174.13 3d7d h VAL 690 N 4.82 0.56 0.14 0.89 2.07 -1.44 -3.33 116.25 119.95 3d7d h VAL 690 Ca -0.39 -1.81 -0.34 0.00 0.82 0.00 0.00 66.70 64.97 3d7d h VAL 690 Cb 1.20 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3d7d h VAL 690 CO 0.78 0.32 -1.80 0.40 0.02 0.00 0.00 177.57 177.29 3d7d h ILE 691 N 0.00 0.85 -3.72 4.57 1.08 -1.92 -3.37 117.51 115.01 3d7d h ILE 691 Ca -0.01 -2.52 -0.52 0.00 -0.39 0.00 0.00 64.86 61.42 3d7d h ILE 691 Cb 1.28 2.64 -0.32 0.00 -3.07 0.00 0.00 36.82 37.35 3d7d h ILE 691 CO 0.04 0.84 -0.82 -0.31 -0.69 0.00 0.00 178.15 177.21 3d7d s TYR 692 N -2.58 1.49 0.07 1.37 2.02 -1.25 -0.63 117.35 117.84 3d7d s TYR 692 Ca -0.16 -0.46 -0.05 0.00 -0.37 0.00 0.00 57.07 56.03 3d7d s TYR 692 Cb 0.06 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.56 3d7d s TYR 692 CO 0.82 -0.19 0.09 0.00 -1.57 0.00 0.00 175.55 174.69 3d7d s ALA 693 N 0.28 0.12 0.34 3.71 0.00 -0.91 -4.45 121.76 120.85 3d7d s ALA 693 Ca -0.07 -0.88 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 3d7d s ALA 693 Cb -0.12 0.38 -0.11 0.00 0.00 0.00 0.00 23.12 23.26 3d7d s ALA 693 CO 0.02 -0.44 1.53 -2.30 0.00 0.00 0.00 175.76 174.58 3d7d n PRO 694 N 0.06 2.67 -1.69 0.00 -0.02 -1.26 -0.72 135.00 134.04 3d7d n PRO 694 Ca -0.15 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 3d7d n PRO 694 Cb 0.62 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 3d7d n PRO 694 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3d7d n SER 695 N 1.15 3.00 0.12 2.55 2.88 0.51 -4.73 113.62 119.10 3d7d n SER 695 Ca 0.04 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.85 3d7d n SER 695 Cb 0.38 -1.48 0.47 0.00 -0.75 0.00 0.00 64.21 62.83 3d7d n SER 695 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3d7d n SER 696 N 1.76 0.52 -0.20 -3.46 3.41 -1.26 -1.76 113.62 112.63 3d7d n SER 696 Ca 0.09 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 3d7d n SER 696 Cb 0.34 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 3d7d n SER 696 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3d7d n HIS 697 N -2.13 0.00 -3.12 7.33 8.25 -1.26 -4.90 115.22 119.39 3d7d n HIS 697 Ca 0.01 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.51 3d7d n HIS 697 Cb 0.13 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 3d7d n HIS 697 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3d7d s ASN 698 N -2.10 -0.92 0.54 0.41 2.47 -0.72 -4.80 114.94 109.82 3d7d s ASN 698 Ca 0.10 0.03 0.30 0.00 0.42 0.00 0.00 52.86 53.71 3d7d s ASN 698 Cb 0.12 1.52 1.47 0.00 -1.45 0.00 0.00 41.25 42.91 3d7d s ASN 698 CO 0.49 -0.16 1.91 0.50 -3.72 0.00 0.00 177.10 176.12 3d7d h LYS 699 N 7.36 0.00 0.00 0.43 3.64 -1.89 -1.66 116.57 124.46 3d7d h LYS 699 Ca -0.05 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3d7d h LYS 699 Cb 1.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3d7d h LYS 699 CO 0.01 0.00 -0.36 1.88 -2.27 0.00 0.00 179.45 178.71 3d7d h TYR 700 N 0.00 0.00 -3.06 1.91 0.05 -1.89 -0.99 116.97 112.99 3d7d h TYR 700 Ca 0.39 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.56 3d7d h TYR 700 Cb 1.57 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 39.25 3d7d h TYR 700 CO 0.00 0.36 -0.20 0.00 -1.05 0.00 0.00 178.16 177.28 3d7d s ALA 701 N -3.63 3.67 0.41 3.88 0.00 -0.63 -3.58 121.76 121.88 3d7d s ALA 701 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.60 3d7d s ALA 701 Cb 0.11 -2.42 -0.08 0.00 0.00 0.00 0.00 23.12 20.73 3d7d s ALA 701 CO 0.68 0.42 0.82 0.20 0.00 0.00 0.00 175.76 177.88 3d7d s GLY 702 N -0.86 2.12 -0.03 0.00 0.00 -1.26 -0.36 107.32 106.94 3d7d s GLY 702 Ca 0.24 0.00 0.07 0.00 0.00 0.00 0.00 44.72 45.03 3d7d s GLY 702 CO 0.13 0.22 -0.24 1.85 0.00 0.00 0.00 173.10 175.07 3d7d s GLU 703 N -3.58 2.05 0.17 2.90 2.56 0.11 -4.71 118.70 118.19 3d7d s GLU 703 Ca 0.55 -0.85 -0.01 0.00 0.00 0.00 0.00 54.97 54.66 3d7d s GLU 703 Cb -0.10 -1.91 -0.04 0.00 2.00 0.00 0.00 34.13 34.07 3d7d s GLU 703 CO 0.26 0.47 0.35 -1.54 -0.56 0.00 0.00 175.26 174.24 3d7d s SER 704 N -0.45 6.39 -1.42 -1.70 1.04 -1.26 -2.14 113.70 114.15 3d7d s SER 704 Ca 0.06 0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.73 3d7d s SER 704 Cb -0.10 -2.00 0.02 0.00 0.10 0.00 0.00 66.02 64.04 3d7d s SER 704 CO 0.00 0.01 0.27 0.49 0.98 0.00 0.00 173.24 174.99 3d7d n PHE 705 N -0.43 -1.32 0.01 5.02 3.72 0.20 -4.65 117.46 120.01 3d7d n PHE 705 Ca -0.05 0.41 0.05 0.00 -0.05 0.00 0.00 57.45 57.81 3d7d n PHE 705 Cb 0.53 -2.83 0.45 0.00 -0.94 0.00 0.00 39.48 36.69 3d7d n PHE 705 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3d7d h PRO 706 N -2.11 0.49 -0.50 -1.08 0.13 -1.75 0.88 132.00 128.07 3d7d h PRO 706 Ca -0.68 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.38 3d7d h PRO 706 Cb 1.40 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3d7d h PRO 706 CO 0.64 0.32 0.13 0.78 -0.23 0.00 0.00 178.00 179.65 3d7d h GLY 707 N 0.51 0.84 1.05 1.56 0.00 -1.88 0.38 103.07 105.52 3d7d h GLY 707 Ca 0.15 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 3d7d h GLY 707 CO -0.03 0.48 -0.54 -2.22 0.00 0.00 0.00 176.54 174.23 3d7d h ILE 708 N 0.68 1.30 -0.14 2.60 2.04 -1.62 -2.37 117.51 120.00 3d7d h ILE 708 Ca 0.16 -1.76 0.04 0.00 1.00 0.00 0.00 64.86 64.29 3d7d h ILE 708 Cb 0.31 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3d7d h ILE 708 CO -0.00 0.56 -0.08 0.22 0.00 0.00 0.00 178.15 178.84 3d7d h TYR 709 N 0.44 -0.20 -0.09 1.37 3.20 -0.65 -1.03 116.97 120.01 3d7d h TYR 709 Ca -0.01 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3d7d h TYR 709 Cb 1.16 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 3d7d h TYR 709 CO 0.09 -0.13 -0.22 -0.44 -1.64 0.00 0.00 178.16 175.82 3d7d h ASP 710 N -0.08 0.14 -0.07 -2.11 3.32 -0.96 -1.05 116.42 115.61 3d7d h ASP 710 Ca 0.08 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3d7d h ASP 710 Cb 0.20 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3d7d h ASP 710 CO -0.19 0.36 -0.23 0.00 -1.72 0.00 0.00 179.24 177.46 3d7d h ALA 711 N 1.65 1.13 0.00 3.45 0.00 -0.82 -2.97 119.26 121.70 3d7d h ALA 711 Ca 0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3d7d h ALA 711 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3d7d h ALA 711 CO 0.03 0.55 -0.38 -0.07 0.00 0.00 0.00 179.25 179.38 3d7d h LEU 712 N 0.43 0.00 -9.51 0.00 3.38 -0.58 -3.44 115.31 105.59 3d7d h LEU 712 Ca 0.07 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.51 3d7d h LEU 712 Cb 0.64 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.42 3d7d h LEU 712 CO 0.05 0.20 0.93 0.12 0.09 0.00 0.00 178.44 179.82 3d7d s PHE 713 N -3.13 2.74 -1.44 1.13 5.36 -0.45 -2.29 117.98 119.89 3d7d s PHE 713 Ca 0.04 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3d7d s PHE 713 Cb 0.07 -3.91 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3d7d s PHE 713 CO 0.72 -3.51 0.00 -3.47 -1.46 0.00 0.00 175.22 167.50 3d7d n ASP 714 N 4.89 -4.80 0.21 6.13 2.03 -1.26 -4.85 116.55 118.89 3d7d n ASP 714 Ca 0.15 0.13 0.04 0.00 0.52 0.00 0.00 54.79 55.63 3d7d n ASP 714 Cb 0.40 -4.06 0.43 0.00 -0.72 0.00 0.00 41.12 37.17 3d7d n ASP 714 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3d7d h ILE 715 N 0.00 1.19 0.00 5.18 2.10 -1.74 -1.76 117.51 122.48 3d7d h ILE 715 Ca -0.38 -0.93 0.00 0.00 1.08 0.00 0.00 64.86 64.62 3d7d h ILE 715 Cb 1.26 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.50 3d7d h ILE 715 CO 0.46 0.27 0.00 1.05 -1.08 0.00 0.00 178.15 178.85 3d7d h GLU 716 N 0.00 0.00 -0.01 2.19 9.09 -1.89 -1.18 114.58 122.78 3d7d h GLU 716 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3d7d h GLU 716 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 3d7d h GLU 716 CO 0.04 0.00 -0.25 0.43 0.05 0.00 0.00 179.01 179.28 3d7d n SER 717 N -2.48 1.59 -4.76 3.06 7.64 -0.66 -4.96 113.62 113.04 3d7d n SER 717 Ca -0.01 -1.29 -0.39 0.00 1.01 0.00 0.00 58.87 58.19 3d7d n SER 717 Cb 0.08 0.19 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 3d7d n SER 717 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3d7d s LYS 718 N -2.35 4.66 0.26 1.43 -0.14 -0.45 -4.95 119.74 118.20 3d7d s LYS 718 Ca 0.26 1.53 0.07 0.00 -1.36 0.00 0.00 55.97 56.46 3d7d s LYS 718 Cb 0.19 -3.06 0.33 0.00 -1.68 0.00 0.00 37.83 33.61 3d7d s LYS 718 CO 0.48 0.31 1.61 0.28 -0.76 0.00 0.00 175.35 177.27 3d7d h VAL 719 N 2.90 1.38 -3.34 3.17 2.07 -1.93 -3.37 116.25 117.14 3d7d h VAL 719 Ca -0.46 -1.91 -0.65 0.00 0.82 0.00 0.00 66.70 64.51 3d7d h VAL 719 Cb 1.20 1.97 -0.40 0.00 -1.52 0.00 0.00 31.29 32.54 3d7d h VAL 719 CO 0.66 0.56 -0.56 -0.62 0.02 0.00 0.00 177.57 177.63 3d7d s ASP 720 N -6.88 4.61 0.44 0.57 -1.08 -1.26 -4.96 116.67 108.11 3d7d s ASP 720 Ca -0.03 -3.20 0.12 0.00 -0.52 0.00 0.00 52.55 48.92 3d7d s ASP 720 Cb 0.12 -1.68 0.98 0.00 -1.46 0.00 0.00 42.92 40.89 3d7d s ASP 720 CO 0.78 -0.22 2.03 1.55 0.52 0.00 0.00 175.17 179.83 3d7d h PRO 721 N 6.32 0.19 -0.17 4.34 0.13 -1.94 -1.97 132.00 138.90 3d7d h PRO 721 Ca -0.02 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3d7d h PRO 721 Cb 0.87 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 3d7d h PRO 721 CO 0.70 0.23 0.04 1.03 -0.23 0.00 0.00 178.00 179.78 3d7d h SER 722 N 0.19 0.04 -0.37 1.44 0.87 -1.96 0.43 113.55 114.17 3d7d h SER 722 Ca 0.05 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3d7d h SER 722 Cb 0.16 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3d7d h SER 722 CO 0.00 0.05 0.22 0.50 -0.53 0.00 0.00 176.83 177.07 3d7d h LYS 723 N 0.12 0.51 -0.35 2.24 3.64 -1.90 -1.35 116.57 119.48 3d7d h LYS 723 Ca 0.07 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3d7d h LYS 723 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3d7d h LYS 723 CO -0.09 0.39 0.03 0.00 -2.27 0.00 0.00 179.45 177.52 3d7d h ALA 724 N 1.09 0.47 -0.08 5.00 0.00 -1.02 -1.43 119.26 123.28 3d7d h ALA 724 Ca 0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3d7d h ALA 724 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d7d h ALA 724 CO -0.02 0.20 -0.51 -1.49 0.00 0.00 0.00 179.25 177.42 3d7d h TRP 725 N 0.42 0.27 -0.92 0.00 4.06 -0.94 -1.74 115.95 117.10 3d7d h TRP 725 Ca 0.10 -0.09 0.05 0.00 2.06 0.00 0.00 58.89 61.01 3d7d h TRP 725 Cb 0.40 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 28.45 3d7d h TRP 725 CO 0.03 0.69 0.60 0.78 -3.56 0.00 0.00 178.44 176.98 3d7d h GLY 726 N 1.37 1.34 1.49 1.49 0.00 -0.92 0.05 103.07 107.89 3d7d h GLY 726 Ca 0.01 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.70 3d7d h GLY 726 CO 0.08 0.36 -0.73 -2.09 0.00 0.00 0.00 176.54 174.15 3d7d h GLU 727 N 1.11 0.51 -0.33 4.80 4.57 -0.80 0.32 114.58 124.75 3d7d h GLU 727 Ca 0.38 -0.41 0.05 0.00 -1.18 0.00 0.00 59.36 58.20 3d7d h GLU 727 Cb 0.09 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.72 3d7d h GLU 727 CO -0.13 1.04 0.04 0.28 -1.18 0.00 0.00 179.01 179.06 3d7d h VAL 728 N 0.35 0.81 -0.78 0.32 2.07 -0.78 -0.68 116.25 117.56 3d7d h VAL 728 Ca -0.03 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3d7d h VAL 728 Cb 1.32 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3d7d h VAL 728 CO 0.13 0.03 0.33 0.11 0.02 0.00 0.00 177.57 178.19 3d7d h LYS 729 N 0.15 1.14 -0.58 1.57 1.57 -0.71 -0.89 116.57 118.82 3d7d h LYS 729 Ca 0.16 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 3d7d h LYS 729 Cb 0.19 -0.19 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3d7d h LYS 729 CO -0.23 0.91 0.28 -0.09 -0.57 0.00 0.00 179.45 179.75 3d7d h ARG 730 N 1.11 0.50 -0.22 3.15 2.43 -0.59 -1.78 114.38 118.99 3d7d h ARG 730 Ca 0.26 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 3d7d h ARG 730 Cb 0.18 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3d7d h ARG 730 CO -0.03 0.33 -0.28 1.96 -1.51 0.00 0.00 179.97 180.45 3d7d h GLN 731 N 0.52 0.43 -0.34 0.20 1.08 -0.54 -0.92 115.11 115.54 3d7d h GLN 731 Ca 0.27 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3d7d h GLN 731 Cb 0.23 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3d7d h GLN 731 CO -0.21 0.68 0.21 0.82 -0.95 0.00 0.00 178.83 179.37 3d7d h ILE 732 N 0.38 1.11 -0.16 2.54 2.04 -0.79 -0.77 117.51 121.86 3d7d h ILE 732 Ca 0.05 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3d7d h ILE 732 Cb 0.69 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3d7d h ILE 732 CO 0.05 0.11 -0.04 0.22 0.00 0.00 0.00 178.15 178.49 3d7d h TYR 733 N 0.45 -0.09 -0.56 1.37 3.20 -0.96 0.34 116.97 120.72 3d7d h TYR 733 Ca 0.12 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3d7d h TYR 733 Cb -0.01 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3d7d h TYR 733 CO -0.04 -0.07 0.37 0.28 -1.64 0.00 0.00 178.16 177.05 3d7d h VAL 734 N -0.00 1.14 -0.28 1.81 2.07 -1.04 0.03 116.25 119.98 3d7d h VAL 734 Ca 0.08 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3d7d h VAL 734 Cb 0.12 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3d7d h VAL 734 CO -0.17 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.60 3d7d h ALA 735 N 1.21 0.37 -0.57 1.67 0.00 -0.87 -0.90 119.26 120.17 3d7d h ALA 735 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3d7d h ALA 735 Cb -0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3d7d h ALA 735 CO -0.05 0.07 0.30 0.00 0.00 0.00 0.00 179.25 179.57 3d7d h ALA 736 N 0.87 0.74 -0.46 0.00 0.00 -0.78 -0.17 119.26 119.46 3d7d h ALA 736 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3d7d h ALA 736 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3d7d h ALA 736 CO 0.01 0.27 0.30 0.35 0.00 0.00 0.00 179.25 180.18 3d7d h PHE 737 N 0.78 0.59 -0.44 0.00 3.57 -0.89 -0.72 116.94 119.83 3d7d h PHE 737 Ca 0.20 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.60 3d7d h PHE 737 Cb 0.07 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3d7d h PHE 737 CO -0.01 0.38 -0.15 1.15 -2.23 0.00 0.00 178.31 177.45 3d7d h THR 738 N 0.62 1.27 -0.53 4.41 2.02 -0.78 0.10 112.91 120.03 3d7d h THR 738 Ca 0.17 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 3d7d h THR 738 Cb -0.05 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3d7d h THR 738 CO -0.04 0.44 0.24 0.58 0.37 0.00 0.00 175.52 177.11 3d7d h VAL 739 N 0.70 1.21 -0.65 3.16 2.07 -0.85 0.13 116.25 122.01 3d7d h VAL 739 Ca 0.10 -0.61 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 3d7d h VAL 739 Cb 0.71 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3d7d h VAL 739 CO 0.05 0.24 0.19 -0.61 0.02 0.00 0.00 177.57 177.46 3d7d h GLN 740 N 0.72 1.02 -0.65 1.57 5.75 -0.83 -0.30 115.11 122.38 3d7d h GLN 740 Ca 0.18 -0.23 -0.08 0.00 -0.15 0.00 0.00 58.65 58.37 3d7d h GLN 740 Cb 0.15 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.53 3d7d h GLN 740 CO -0.02 0.90 0.09 0.00 -2.65 0.00 0.00 178.83 177.15 3d7d h ALA 741 N 1.07 0.92 -0.33 3.38 0.00 -0.51 -0.21 119.26 123.58 3d7d h ALA 741 Ca 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3d7d h ALA 741 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3d7d h ALA 741 CO -0.00 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.92 3d7d h ALA 742 N 1.07 0.44 -0.54 0.00 0.00 -0.65 -2.63 119.26 116.95 3d7d h ALA 742 Ca 0.20 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3d7d h ALA 742 Cb 0.46 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3d7d h ALA 742 CO 0.02 0.19 0.05 0.00 0.00 0.00 0.00 179.25 179.50 3d7d h ALA 743 N 0.86 0.56 0.00 0.00 0.00 -0.65 -1.58 119.26 118.45 3d7d h ALA 743 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3d7d h ALA 743 Cb 0.43 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3d7d h ALA 743 CO 0.02 -0.36 0.00 0.93 0.00 0.00 0.00 179.25 179.84 3d7d h GLU 744 N 0.17 0.00 0.00 0.00 5.08 -0.69 0.11 114.58 119.26 3d7d h GLU 744 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3d7d h GLU 744 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3d7d h GLU 744 CO -0.41 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.39 3d7d h THR 745 N 0.00 0.00 0.00 1.13 1.35 -1.05 -2.72 112.91 111.62 3d7d h THR 745 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3d7d h THR 745 Cb 0.13 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 3d7d h THR 745 CO 0.00 0.00 -1.00 0.18 -0.25 0.00 0.00 175.52 174.45 3d7d n LEU 746 N -2.73 0.64 -4.56 3.87 4.77 0.02 -4.88 117.00 114.12 3d7d n LEU 746 Ca 0.01 -0.11 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 3d7d n LEU 746 Cb 0.28 -0.09 0.20 0.00 -2.33 0.00 0.00 43.42 41.48 3d7d n LEU 746 CO 0.24 0.09 0.52 -1.20 -1.33 0.00 0.00 177.39 175.71 3d7d n SER 747 N -1.83 -0.70 -4.77 -1.43 7.64 -1.03 -4.64 113.62 106.86 3d7d n SER 747 Ca 0.02 0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.67 3d7d n SER 747 Cb 0.41 -1.36 0.01 0.00 -1.01 0.00 0.00 64.21 62.26 3d7d n SER 747 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3d7d n GLU 748 N -4.29 2.48 0.23 1.43 1.02 -1.26 -4.85 120.64 115.39 3d7d n GLU 748 Ca 0.08 0.87 0.13 0.00 -0.02 0.00 0.00 57.16 58.22 3d7d n GLU 748 Cb 0.53 -2.66 0.41 0.00 -0.02 0.00 0.00 31.44 29.70 3d7d n GLU 748 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3d7d h VAL 749 N 2.63 0.20 0.00 2.62 -1.51 -1.94 -3.51 116.25 114.73 3d7d h VAL 749 Ca -0.51 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.01 3d7d h VAL 749 Cb 1.25 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 3d7d h VAL 749 CO 0.62 0.09 0.00 0.00 -1.23 0.00 0.00 177.57 177.06