#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl9 s PHE 39 N 0.00 3.16 0.50 1.61 5.36 -1.26 0.02 117.98 127.37 3dl9 s PHE 39 Ca 0.00 1.61 -0.23 0.00 -0.96 0.00 0.00 56.93 57.36 3dl9 s PHE 39 Cb 0.00 -3.04 -0.06 0.00 -0.34 0.00 0.00 43.02 39.58 3dl9 s PHE 39 CO 0.00 -0.60 1.27 -2.14 -1.46 0.00 0.00 175.22 172.29 3dl9 s PRO 40 N -2.95 3.47 1.00 10.12 0.02 -1.26 -4.88 135.00 140.51 3dl9 s PRO 40 Ca 0.63 2.04 -0.15 0.00 0.02 0.00 0.00 61.00 63.53 3dl9 s PRO 40 Cb -0.17 -2.36 0.19 0.00 0.02 0.00 0.00 34.50 32.18 3dl9 s PRO 40 CO 0.21 -0.87 1.20 -1.25 -0.33 0.00 0.00 177.00 175.96 3dl9 s PRO 41 N -2.76 0.43 0.00 5.54 0.04 -1.26 -4.06 135.00 132.92 3dl9 s PRO 41 Ca 0.67 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.64 3dl9 s PRO 41 Cb -0.35 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3dl9 s PRO 41 CO 0.42 -2.61 0.00 0.41 0.04 0.00 0.00 177.00 175.26 3dl9 n GLY 42 N -2.54 -0.85 3.76 0.56 0.00 -1.26 -0.54 105.19 104.33 3dl9 n GLY 42 Ca 0.11 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 3dl9 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dl9 s PRO 43 N -2.00 3.57 0.53 1.61 0.04 -1.26 -4.96 135.00 132.53 3dl9 s PRO 43 Ca 0.00 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 62.85 3dl9 s PRO 43 Cb 0.00 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 3dl9 s PRO 43 CO 0.00 -0.74 0.90 -1.25 0.04 0.00 0.00 177.00 175.95 3dl9 s PRO 44 N -2.76 3.64 0.00 0.56 0.04 -1.26 -4.83 135.00 130.39 3dl9 s PRO 44 Ca 0.66 0.53 0.00 0.00 0.04 0.00 0.00 61.00 62.23 3dl9 s PRO 44 Cb -0.32 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.98 3dl9 s PRO 44 CO 0.38 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.51 3dl9 n GLY 45 N -2.23 2.92 3.78 0.56 0.00 -1.26 -4.91 105.19 104.06 3dl9 n GLY 45 Ca 0.03 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3dl9 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dl9 s LEU 46 N 0.00 3.58 0.85 0.99 1.43 -1.18 -4.74 118.68 119.61 3dl9 s LEU 46 Ca 0.00 1.99 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 3dl9 s LEU 46 Cb 0.00 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.77 3dl9 s LEU 46 CO 0.00 -1.29 1.17 -2.16 0.23 0.00 0.00 176.35 174.30 3dl9 s PRO 47 N -3.75 1.38 0.00 1.29 0.04 -1.26 -0.68 135.00 132.01 3dl9 s PRO 47 Ca 0.68 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3dl9 s PRO 47 Cb -0.20 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3dl9 s PRO 47 CO 0.33 -2.38 0.00 0.34 0.04 0.00 0.00 177.00 175.33 3dl9 n PHE 48 N -3.74 0.00 0.75 0.56 7.35 -1.26 -4.29 117.46 116.82 3dl9 n PHE 48 Ca 0.12 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.94 3dl9 n PHE 48 Cb 0.51 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.56 3dl9 n PHE 48 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 3dl9 n ILE 49 N 0.00 0.20 -0.28 -2.13 -5.35 -1.25 -3.70 119.36 106.85 3dl9 n ILE 49 Ca 0.00 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 3dl9 n ILE 49 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 3dl9 n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dl9 n GLY 50 N 1.41 3.23 0.30 3.28 0.00 0.14 -1.91 105.19 111.64 3dl9 n GLY 50 Ca 0.04 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.12 3dl9 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dl9 n ASN 51 N 3.50 0.95 -0.30 1.61 4.13 0.30 -3.08 115.26 122.37 3dl9 n ASN 51 Ca 0.00 -1.24 0.12 0.00 1.68 0.00 0.00 54.58 55.14 3dl9 n ASN 51 Cb 0.00 -0.00 0.35 0.00 -1.54 0.00 0.00 39.78 38.59 3dl9 n ASN 51 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3dl9 h ILE 52 N 1.45 0.82 0.08 2.41 2.04 -1.47 -1.25 117.51 121.59 3dl9 h ILE 52 Ca 0.00 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 3dl9 h ILE 52 Cb 0.34 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3dl9 h ILE 52 CO 0.00 0.14 -0.04 0.22 0.00 0.00 0.00 178.15 178.46 3dl9 h TYR 53 N 0.75 -0.11 0.25 1.37 3.20 -1.69 -1.69 116.97 119.05 3dl9 h TYR 53 Ca 0.48 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.36 3dl9 h TYR 53 Cb 0.73 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 3dl9 h TYR 53 CO -0.00 -0.07 -0.44 0.77 -1.64 0.00 0.00 178.16 176.78 3dl9 h SER 54 N -0.12 -1.27 -0.40 -2.11 0.02 -1.51 0.72 113.55 108.89 3dl9 h SER 54 Ca -0.01 0.13 0.08 0.00 -0.84 0.00 0.00 61.79 61.15 3dl9 h SER 54 Cb 0.09 0.46 -0.08 0.00 0.14 0.00 0.00 62.40 63.01 3dl9 h SER 54 CO 0.01 -0.54 -0.12 -0.07 -1.14 0.00 0.00 176.83 174.97 3dl9 h LEU 55 N -0.77 -0.44 -0.19 5.07 3.38 -1.33 -1.62 115.31 119.42 3dl9 h LEU 55 Ca -0.01 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3dl9 h LEU 55 Cb 0.74 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3dl9 h LEU 55 CO -0.18 -0.16 0.10 0.00 0.09 0.00 0.00 178.44 178.29 3dl9 h ALA 56 N 1.34 0.24 0.00 1.53 0.00 -0.83 -2.80 119.26 118.74 3dl9 h ALA 56 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dl9 h ALA 56 Cb 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dl9 h ALA 56 CO -0.43 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.62 3dl9 h ALA 57 N 0.97 1.00 -2.67 0.00 0.00 0.61 -3.45 119.26 115.72 3dl9 h ALA 57 Ca 0.07 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.47 3dl9 h ALA 57 Cb 0.10 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.94 3dl9 h ALA 57 CO -0.01 0.00 0.48 0.45 0.00 0.00 0.00 179.25 180.17 3dl9 s SER 58 N -4.93 6.31 0.39 0.00 0.15 -0.62 -4.93 113.70 110.07 3dl9 s SER 58 Ca 0.01 2.27 0.21 0.00 0.70 0.00 0.00 55.95 59.14 3dl9 s SER 58 Cb 0.09 -2.60 0.66 0.00 -1.71 0.00 0.00 66.02 62.46 3dl9 s SER 58 CO 0.44 -0.82 1.71 0.28 1.20 0.00 0.00 173.24 176.05 3dl9 h SER 59 N 2.20 0.00 -3.80 5.45 0.02 -1.87 -3.46 113.55 112.09 3dl9 h SER 59 Ca -0.49 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 59.97 3dl9 h SER 59 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3dl9 h SER 59 CO 0.61 0.30 0.16 -1.61 -1.14 0.00 0.00 176.83 175.15 3dl9 s GLU 60 N -3.46 3.93 0.63 3.45 0.41 -1.26 -5.07 118.70 117.33 3dl9 s GLU 60 Ca 0.02 0.66 -0.15 0.00 -0.41 0.00 0.00 54.97 55.08 3dl9 s GLU 60 Cb 0.09 -2.36 -0.01 0.00 -1.78 0.00 0.00 34.13 30.07 3dl9 s GLU 60 CO 0.67 0.02 1.09 -0.51 -0.49 0.00 0.00 175.26 176.04 3dl9 s LEU 61 N -3.45 3.43 0.27 1.80 1.43 -1.26 -4.72 118.68 116.17 3dl9 s LEU 61 Ca 0.54 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 55.57 3dl9 s LEU 61 Cb -0.10 -4.54 0.56 0.00 0.03 0.00 0.00 46.19 42.13 3dl9 s LEU 61 CO 0.24 -1.46 1.75 -0.65 0.23 0.00 0.00 176.35 176.46 3dl9 h PRO 62 N 0.18 0.54 -0.13 1.29 0.11 -1.97 0.00 132.00 132.02 3dl9 h PRO 62 Ca -0.47 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3dl9 h PRO 62 Cb 1.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3dl9 h PRO 62 CO 0.55 0.36 -0.31 1.12 -0.21 0.00 0.00 178.00 179.51 3dl9 h HIS 63 N 0.56 0.29 0.01 0.65 2.07 -1.95 0.51 115.15 117.28 3dl9 h HIS 63 Ca 0.47 -0.06 -0.00 0.00 -2.85 0.00 0.00 60.37 57.93 3dl9 h HIS 63 Cb 0.72 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 30.63 3dl9 h HIS 63 CO -0.11 0.55 -0.01 0.28 -3.07 0.00 0.00 177.93 175.57 3dl9 h VAL 64 N 0.22 1.44 -0.71 6.12 2.07 -1.57 -2.16 116.25 121.66 3dl9 h VAL 64 Ca 0.03 -1.40 0.15 0.00 0.82 0.00 0.00 66.70 66.30 3dl9 h VAL 64 Cb 0.67 2.38 -0.13 0.00 -1.52 0.00 0.00 31.29 32.69 3dl9 h VAL 64 CO 0.05 0.36 -0.05 0.22 0.02 0.00 0.00 177.57 178.17 3dl9 h TYR 65 N -0.62 -0.15 -0.25 1.57 3.20 -0.87 -1.15 116.97 118.70 3dl9 h TYR 65 Ca -0.00 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3dl9 h TYR 65 Cb 0.60 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3dl9 h TYR 65 CO 0.13 -0.25 -0.31 0.52 -1.64 0.00 0.00 178.16 176.62 3dl9 h MET 66 N 0.07 0.52 -0.20 1.82 2.86 -0.89 -1.60 114.93 117.52 3dl9 h MET 66 Ca 0.37 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3dl9 h MET 66 Cb 0.62 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3dl9 h MET 66 CO -0.65 0.78 -0.01 -0.09 1.06 0.00 0.00 176.91 177.99 3dl9 h ARG 67 N 0.45 0.35 -0.53 1.72 2.43 -0.69 -1.31 114.38 116.80 3dl9 h ARG 67 Ca 0.05 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3dl9 h ARG 67 Cb 0.77 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.24 3dl9 h ARG 67 CO 0.06 0.56 0.25 0.87 -1.51 0.00 0.00 179.97 180.20 3dl9 h LYS 68 N 0.10 0.46 -0.01 0.20 1.57 -1.10 -1.55 116.57 116.24 3dl9 h LYS 68 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3dl9 h LYS 68 Cb 0.41 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3dl9 h LYS 68 CO 0.01 0.30 -0.13 1.96 -0.57 0.00 0.00 179.45 181.02 3dl9 h GLN 69 N 0.47 0.01 0.00 3.15 1.08 -1.12 -2.27 115.11 116.44 3dl9 h GLN 69 Ca 0.25 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 3dl9 h GLN 69 Cb 0.20 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3dl9 h GLN 69 CO -0.20 0.14 -0.33 0.66 -0.95 0.00 0.00 178.83 178.16 3dl9 h SER 70 N 0.01 0.00 0.36 1.46 4.64 -0.21 0.11 113.55 119.93 3dl9 h SER 70 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3dl9 h SER 70 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3dl9 h SER 70 CO 0.02 0.33 -0.11 1.56 -0.87 0.00 0.00 176.83 177.75 3dl9 h GLN 71 N 0.00 0.00 0.04 4.77 4.20 -1.13 0.21 115.11 123.20 3dl9 h GLN 71 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.33 3dl9 h GLN 71 Cb 0.80 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 3dl9 h GLN 71 CO 0.04 0.11 -2.15 0.28 -0.67 0.00 0.00 178.83 176.45 3dl9 n VAL 72 N -3.65 1.59 0.84 -0.54 0.31 -0.79 -4.68 118.33 111.41 3dl9 n VAL 72 Ca -0.02 -0.46 0.09 0.00 -0.01 0.00 0.00 64.34 63.94 3dl9 n VAL 72 Cb 0.23 -1.72 -0.08 0.00 -0.91 0.00 0.00 33.84 31.37 3dl9 n VAL 72 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3dl9 n TYR 73 N -3.74 0.00 0.00 3.52 4.02 0.31 -5.09 117.16 116.18 3dl9 n TYR 73 Ca -0.42 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 3dl9 n TYR 73 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.25 3dl9 n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dl9 n GLY 74 N 1.38 1.55 0.32 2.72 0.00 0.74 -4.74 105.19 107.16 3dl9 n GLY 74 Ca 0.04 -2.06 0.02 0.00 0.00 0.00 0.00 46.02 44.02 3dl9 n GLY 74 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dl9 h GLU 75 N 0.00 0.70 -4.81 1.61 5.08 -1.84 -3.37 114.58 111.94 3dl9 h GLU 75 Ca 0.00 -0.06 -0.68 0.00 -1.00 0.00 0.00 59.36 57.62 3dl9 h GLU 75 Cb 0.00 -0.15 -0.33 0.00 0.50 0.00 0.00 28.75 28.77 3dl9 h GLU 75 CO 0.00 0.50 -0.73 -1.50 -1.00 0.00 0.00 179.01 176.28 3dl9 s ILE 76 N -5.52 2.83 0.31 3.13 2.07 -1.26 -0.29 121.20 122.47 3dl9 s ILE 76 Ca -0.09 -1.36 0.03 0.00 -1.41 0.00 0.00 60.65 57.82 3dl9 s ILE 76 Cb 0.17 -2.60 -0.04 0.00 0.13 0.00 0.00 42.46 40.13 3dl9 s ILE 76 CO 0.76 -0.04 0.13 0.72 -1.91 0.00 0.00 174.94 174.61 3dl9 s PHE 77 N 1.24 1.63 0.16 3.50 -0.12 -1.04 -4.68 117.98 118.68 3dl9 s PHE 77 Ca -0.05 -1.29 0.09 0.00 -0.05 0.00 0.00 56.93 55.63 3dl9 s PHE 77 Cb -0.19 -0.93 -0.04 0.00 -0.63 0.00 0.00 43.02 41.23 3dl9 s PHE 77 CO -0.02 -0.42 -0.20 -1.54 -0.05 0.00 0.00 175.22 172.99 3dl9 s SER 78 N -3.39 2.84 0.07 1.98 1.04 0.30 -0.03 113.70 116.50 3dl9 s SER 78 Ca 0.35 -0.84 0.05 0.00 0.48 0.00 0.00 55.95 55.99 3dl9 s SER 78 Cb 0.06 -0.18 -0.03 0.00 0.10 0.00 0.00 66.02 65.97 3dl9 s SER 78 CO 0.16 0.01 -0.15 -0.76 0.98 0.00 0.00 173.24 173.48 3dl9 s LEU 79 N -2.58 2.26 -0.32 2.42 1.43 0.59 -4.10 118.68 118.38 3dl9 s LEU 79 Ca 0.16 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3dl9 s LEU 79 Cb -0.07 -0.58 0.04 0.00 0.03 0.00 0.00 46.19 45.61 3dl9 s LEU 79 CO 0.07 -0.04 0.06 -0.62 0.23 0.00 0.00 176.35 176.05 3dl9 s ASP 80 N -1.63 5.09 -0.86 2.29 2.15 -1.26 -1.78 116.67 120.68 3dl9 s ASP 80 Ca -0.00 -1.12 -0.09 0.00 0.43 0.00 0.00 52.55 51.76 3dl9 s ASP 80 Cb -0.10 -1.80 0.22 0.00 -0.30 0.00 0.00 42.92 40.94 3dl9 s ASP 80 CO 0.02 -0.28 0.78 -0.76 -0.17 0.00 0.00 175.17 174.76 3dl9 s LEU 81 N 1.36 6.23 -1.42 -1.34 1.43 0.04 0.11 118.68 125.08 3dl9 s LEU 81 Ca -0.02 -3.04 -0.04 0.00 -1.03 0.00 0.00 54.13 49.99 3dl9 s LEU 81 Cb -0.19 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.95 3dl9 s LEU 81 CO 0.01 -0.42 0.37 0.61 0.23 0.00 0.00 176.35 177.15 3dl9 n GLY 82 N 3.40 -0.51 0.15 -3.19 0.00 -0.93 -1.37 105.19 102.75 3dl9 n GLY 82 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3dl9 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl9 n GLY 83 N -1.22 0.17 3.63 -0.02 0.00 -1.24 -4.76 105.19 101.75 3dl9 n GLY 83 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3dl9 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dl9 s ILE 84 N -2.05 4.77 0.05 -0.61 1.01 -0.47 -5.03 121.20 118.87 3dl9 s ILE 84 Ca 0.00 1.42 -0.26 0.00 0.00 0.00 0.00 60.65 61.81 3dl9 s ILE 84 Cb 0.00 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.24 3dl9 s ILE 84 CO 0.00 -0.21 0.83 -0.94 0.00 0.00 0.00 174.94 174.61 3dl9 s SER 85 N 1.51 7.28 -0.03 3.58 1.04 -1.26 -0.78 113.70 125.03 3dl9 s SER 85 Ca 0.35 1.53 -0.01 0.00 0.48 0.00 0.00 55.95 58.31 3dl9 s SER 85 Cb -0.14 -2.50 0.03 0.00 0.10 0.00 0.00 66.02 63.51 3dl9 s SER 85 CO 0.11 -0.03 0.06 -0.89 0.98 0.00 0.00 173.24 173.46 3dl9 s THR 86 N 0.08 -0.05 -0.00 2.02 2.01 -0.73 -2.98 115.64 115.98 3dl9 s THR 86 Ca 0.41 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.64 3dl9 s THR 86 Cb -0.21 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 3dl9 s THR 86 CO 0.25 0.08 -0.02 0.68 -0.69 0.00 0.00 174.62 174.92 3dl9 s VAL 87 N 1.06 4.02 -0.13 3.82 -7.23 -0.38 -0.30 120.40 121.25 3dl9 s VAL 87 Ca -0.09 -0.65 -0.01 0.00 -1.81 0.00 0.00 61.98 59.42 3dl9 s VAL 87 Cb -0.12 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 34.02 3dl9 s VAL 87 CO -0.04 0.38 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.36 3dl9 s VAL 88 N -1.06 3.43 -0.25 1.32 1.01 0.95 -1.39 120.40 124.41 3dl9 s VAL 88 Ca 0.19 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 3dl9 s VAL 88 Cb -0.11 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3dl9 s VAL 88 CO 0.09 0.52 0.12 -0.76 0.00 0.00 0.00 175.10 175.08 3dl9 s LEU 89 N 0.26 3.81 -0.03 3.92 1.43 0.68 -2.50 118.68 126.25 3dl9 s LEU 89 Ca -0.06 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 3dl9 s LEU 89 Cb -0.15 -2.03 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 3dl9 s LEU 89 CO 0.04 0.01 -0.20 0.20 0.23 0.00 0.00 176.35 176.64 3dl9 s ASN 90 N 1.35 2.40 0.00 2.29 0.01 0.60 -1.74 114.94 119.86 3dl9 s ASN 90 Ca 0.06 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 3dl9 s ASN 90 Cb -0.15 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.04 3dl9 s ASN 90 CO 0.06 0.21 0.00 0.61 -1.51 0.00 0.00 177.10 176.47 3dl9 n GLY 91 N 2.84 -2.39 0.19 0.66 0.00 -1.26 -4.44 105.19 100.80 3dl9 n GLY 91 Ca -0.17 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 3dl9 n GLY 91 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dl9 h TYR 92 N 0.00 0.59 -0.19 1.61 3.20 -1.83 -2.96 116.97 117.40 3dl9 h TYR 92 Ca 0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3dl9 h TYR 92 Cb 0.00 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3dl9 h TYR 92 CO 0.00 0.44 0.11 -0.44 -1.64 0.00 0.00 178.16 176.63 3dl9 h ASP 93 N 0.57 0.23 -0.09 -2.11 3.45 -1.99 -0.39 116.42 116.08 3dl9 h ASP 93 Ca 0.15 -0.06 -0.18 0.00 0.43 0.00 0.00 57.03 57.37 3dl9 h ASP 93 Cb 0.04 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 38.75 3dl9 h ASP 93 CO -0.03 0.22 -0.61 0.58 -1.57 0.00 0.00 179.24 177.84 3dl9 h VAL 94 N 0.21 1.30 -0.36 -1.35 2.07 -1.77 -0.39 116.25 115.95 3dl9 h VAL 94 Ca 0.07 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.74 3dl9 h VAL 94 Cb 0.04 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3dl9 h VAL 94 CO -0.01 0.58 0.19 0.58 0.02 0.00 0.00 177.57 178.93 3dl9 h VAL 95 N 0.52 1.15 -0.84 2.57 2.07 -1.34 -2.29 116.25 118.10 3dl9 h VAL 95 Ca -0.00 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 3dl9 h VAL 95 Cb 1.19 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3dl9 h VAL 95 CO 0.12 0.15 0.39 0.50 0.02 0.00 0.00 177.57 178.76 3dl9 h LYS 96 N 0.46 1.21 -0.14 1.57 3.64 -0.97 -1.07 116.57 121.28 3dl9 h LYS 96 Ca 0.13 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3dl9 h LYS 96 Cb 0.07 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3dl9 h LYS 96 CO -0.02 0.93 -0.10 0.93 -2.27 0.00 0.00 179.45 178.92 3dl9 h GLU 97 N 1.19 0.21 0.00 1.90 5.08 -0.65 -0.29 114.58 122.02 3dl9 h GLU 97 Ca 0.29 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3dl9 h GLU 97 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3dl9 h GLU 97 CO -0.03 0.32 -0.50 0.00 -1.00 0.00 0.00 179.01 177.79 3dl9 h LEU 99 N -1.00 0.00 0.00 0.00 3.38 -1.26 -2.83 115.31 113.60 3dl9 h LEU 99 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3dl9 h LEU 99 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3dl9 h LEU 99 CO -0.01 0.09 -1.26 0.52 0.09 0.00 0.00 178.44 177.87 3dl9 n VAL 100 N -3.26 0.99 -0.02 1.22 0.31 -0.18 -3.94 118.33 113.45 3dl9 n VAL 100 Ca 0.00 -0.01 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 3dl9 n VAL 100 Cb 0.33 -1.79 0.09 0.00 -0.91 0.00 0.00 33.84 31.56 3dl9 n VAL 100 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3dl9 h HIS 101 N -0.49 0.72 -1.45 3.52 3.86 -1.36 -2.99 115.15 116.97 3dl9 h HIS 101 Ca -0.21 -0.21 -0.64 0.00 -1.16 0.00 0.00 60.37 58.15 3dl9 h HIS 101 Cb 0.98 -0.15 -0.37 0.00 1.06 0.00 0.00 27.41 28.93 3dl9 h HIS 101 CO -0.11 0.92 -0.12 1.04 0.86 0.00 0.00 177.93 180.52 3dl9 n GLN 102 N -4.03 3.21 -0.36 2.45 6.02 -1.04 -4.93 117.38 118.71 3dl9 n GLN 102 Ca -0.02 -4.07 0.07 0.00 -0.01 0.00 0.00 57.00 52.98 3dl9 n GLN 102 Cb 0.53 -2.26 0.24 0.00 1.02 0.00 0.00 30.24 29.77 3dl9 n GLN 102 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3dl9 h SER 103 N 2.55 0.92 -0.26 1.08 4.64 -1.47 -1.99 113.55 119.03 3dl9 h SER 103 Ca 0.41 0.05 -0.19 0.00 -0.47 0.00 0.00 61.79 61.59 3dl9 h SER 103 Cb 0.79 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3dl9 h SER 103 CO 1.06 0.49 -0.59 -0.33 -0.87 0.00 0.00 176.83 176.59 3dl9 h GLU 104 N 0.99 0.85 -0.73 4.77 4.39 -1.88 -2.75 114.58 120.22 3dl9 h GLU 104 Ca 0.49 -0.58 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 3dl9 h GLU 104 Cb 0.49 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 3dl9 h GLU 104 CO -0.26 1.20 0.35 0.82 -1.16 0.00 0.00 179.01 179.96 3dl9 h ILE 105 N 0.63 1.23 -0.55 3.13 2.04 -1.72 -3.10 117.51 119.17 3dl9 h ILE 105 Ca -0.00 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3dl9 h ILE 105 Cb 1.21 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3dl9 h ILE 105 CO 0.13 0.28 0.00 0.49 0.00 0.00 0.00 178.15 179.05 3dl9 n PHE 106 N -4.33 1.51 1.64 1.37 3.01 -0.98 -0.10 117.46 119.58 3dl9 n PHE 106 Ca 0.07 -0.68 0.12 0.00 1.01 0.00 0.00 57.45 57.97 3dl9 n PHE 106 Cb 0.14 -0.32 0.58 0.00 -0.01 0.00 0.00 39.48 39.87 3dl9 n PHE 106 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dl9 n ALA 107 N 0.70 2.59 -2.15 4.37 0.00 -1.04 -4.44 120.51 120.54 3dl9 n ALA 107 Ca 0.25 -0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 3dl9 n ALA 107 Cb 0.95 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 19.17 3dl9 n ALA 107 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dl9 s ASP 108 N -1.77 5.59 0.07 0.00 -1.08 -1.00 -4.48 116.67 114.00 3dl9 s ASP 108 Ca 0.36 -0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.42 3dl9 s ASP 108 Cb 0.18 -1.08 -0.04 0.00 -1.46 0.00 0.00 42.92 40.52 3dl9 s ASP 108 CO 0.29 -0.86 0.01 -0.13 0.52 0.00 0.00 175.17 175.00 3dl9 s ARG 109 N -4.56 2.63 0.34 4.34 1.81 -1.26 -0.12 118.95 122.11 3dl9 s ARG 109 Ca 0.53 -0.78 -0.24 0.00 -1.72 0.00 0.00 55.73 53.51 3dl9 s ARG 109 Cb -0.10 -2.58 -0.10 0.00 -0.45 0.00 0.00 34.95 31.72 3dl9 s ARG 109 CO 0.36 0.56 0.93 -1.25 -0.68 0.00 0.00 175.30 175.22 3dl9 s PRO 110 N -2.20 4.48 -0.97 3.54 0.04 -1.26 -4.60 135.00 134.03 3dl9 s PRO 110 Ca 0.25 1.24 -0.06 0.00 0.04 0.00 0.00 61.00 62.47 3dl9 s PRO 110 Cb -0.12 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.76 3dl9 s PRO 110 CO 0.17 0.22 2.78 0.00 0.04 0.00 0.00 177.00 180.22 3dl9 s LEU 112 N -1.38 4.45 0.29 0.00 1.43 -1.26 -4.83 118.68 117.39 3dl9 s LEU 112 Ca 0.60 2.60 -0.03 0.00 -1.03 0.00 0.00 54.13 56.27 3dl9 s LEU 112 Cb 0.25 -3.64 0.62 0.00 0.03 0.00 0.00 46.19 43.45 3dl9 s LEU 112 CO -0.11 -0.46 1.57 -0.65 0.23 0.00 0.00 176.35 176.93 3dl9 h PRO 113 N 3.56 0.00 -0.31 1.29 0.11 -1.93 -1.74 132.00 132.99 3dl9 h PRO 113 Ca -0.48 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3dl9 h PRO 113 Cb 1.22 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3dl9 h PRO 113 CO 0.66 0.00 0.07 1.25 -0.21 0.00 0.00 178.00 179.78 3dl9 h LEU 114 N 0.00 0.03 -0.81 2.35 5.85 -1.92 0.02 115.31 120.84 3dl9 h LEU 114 Ca 0.54 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 59.25 3dl9 h LEU 114 Cb 1.01 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 3dl9 h LEU 114 CO -0.97 0.05 0.16 -0.26 -0.34 0.00 0.00 178.44 177.09 3dl9 h PHE 115 N 0.19 1.10 -0.69 1.25 0.05 -1.72 -0.43 116.94 116.69 3dl9 h PHE 115 Ca 0.15 -0.12 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 3dl9 h PHE 115 Cb 0.15 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 37.75 3dl9 h PHE 115 CO -0.17 0.90 0.39 0.52 -0.18 0.00 0.00 178.31 179.77 3dl9 h MET 116 N 1.00 0.95 0.04 1.51 2.86 -0.96 -1.80 114.93 118.53 3dl9 h MET 116 Ca 0.21 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3dl9 h MET 116 Cb 0.36 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3dl9 h MET 116 CO 0.00 0.70 -0.02 -0.22 1.06 0.00 0.00 176.91 178.44 3dl9 h LYS 117 N 0.94 -0.05 0.19 1.72 3.64 -0.55 -0.77 116.57 121.69 3dl9 h LYS 117 Ca 0.24 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3dl9 h LYS 117 Cb 0.02 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3dl9 h LYS 117 CO -0.04 0.20 -0.09 0.52 -2.27 0.00 0.00 179.45 177.77 3dl9 h MET 118 N -0.30 -0.24 0.00 1.90 2.86 -1.04 -3.39 114.93 114.72 3dl9 h MET 118 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3dl9 h MET 118 Cb 0.27 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.99 3dl9 h MET 118 CO 0.01 0.01 0.00 0.25 1.06 0.00 0.00 176.91 178.24 3dl9 n THR 119 N -5.10 0.43 -1.96 2.22 -2.24 -0.69 -5.01 114.28 101.93 3dl9 n THR 119 Ca -0.09 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.11 3dl9 n THR 119 Cb 0.20 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 3dl9 n THR 119 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dl9 n LYS 120 N -0.21 -1.73 -3.04 -0.78 5.02 -0.29 -0.60 118.16 116.53 3dl9 n LYS 120 Ca 0.00 0.78 -0.21 0.00 -2.02 0.00 0.00 58.31 56.86 3dl9 n LYS 120 Cb 0.37 -5.23 0.01 0.00 -0.02 0.00 0.00 35.03 30.16 3dl9 n LYS 120 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3dl9 n MET 121 N -2.44 -3.59 0.00 1.97 2.81 -1.25 -4.95 117.12 109.67 3dl9 n MET 121 Ca -0.16 0.66 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 3dl9 n MET 121 Cb 0.56 -5.40 0.00 0.00 -0.71 0.00 0.00 33.22 27.67 3dl9 n MET 121 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dl9 n GLY 122 N -1.21 3.10 7.00 3.03 0.00 0.23 -2.33 105.19 115.01 3dl9 n GLY 122 Ca -0.08 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3dl9 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl9 n GLY 123 N 5.00 2.25 1.19 -0.02 0.00 -1.26 -2.66 105.19 109.69 3dl9 n GLY 123 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3dl9 n GLY 123 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dl9 n LEU 124 N 0.00 0.59 -0.11 0.99 7.94 -1.26 -4.56 117.00 120.59 3dl9 n LEU 124 Ca 0.00 0.13 -0.10 0.00 -1.11 0.00 0.00 56.01 54.93 3dl9 n LEU 124 Cb 0.00 -0.14 -0.02 0.00 0.53 0.00 0.00 43.42 43.79 3dl9 n LEU 124 CO 0.00 -0.67 0.87 0.25 -1.11 0.00 0.00 177.39 176.73 3dl9 h LEU 125 N 0.00 0.50 -3.20 -1.96 6.46 -1.93 -2.72 115.31 112.47 3dl9 h LEU 125 Ca 0.00 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3dl9 h LEU 125 Cb 0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 3dl9 h LEU 125 CO 0.00 0.57 0.00 0.59 -0.62 0.00 0.00 178.44 178.98 3dl9 n ASN 126 N -4.66 4.34 -4.75 1.25 3.02 -1.26 -5.00 115.26 108.20 3dl9 n ASN 126 Ca -0.01 -2.62 -0.39 0.00 -0.03 0.00 0.00 54.58 51.53 3dl9 n ASN 126 Cb 0.17 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 38.85 3dl9 n ASN 126 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dl9 s SER 127 N -1.22 5.36 0.67 6.41 0.15 -1.03 -4.49 113.70 119.56 3dl9 s SER 127 Ca 0.44 2.82 -0.17 0.00 0.70 0.00 0.00 55.95 59.74 3dl9 s SER 127 Cb 0.31 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3dl9 s SER 127 CO 0.17 -1.51 1.21 -0.13 1.20 0.00 0.00 173.24 174.18 3dl9 s ARG 128 N -2.82 2.52 -0.18 5.44 1.81 -0.98 -4.30 118.95 120.44 3dl9 s ARG 128 Ca 0.70 1.80 -0.29 0.00 -1.72 0.00 0.00 55.73 56.21 3dl9 s ARG 128 Cb -0.42 -1.88 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 3dl9 s ARG 128 CO 0.50 -1.55 1.80 -0.47 -0.68 0.00 0.00 175.30 174.90 3dl9 s TYR 129 N -1.80 1.77 -0.65 -0.53 5.04 -1.26 -4.21 117.35 115.70 3dl9 s TYR 129 Ca 0.76 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 3dl9 s TYR 129 Cb -0.30 -4.02 0.00 0.00 0.35 0.00 0.00 41.96 37.98 3dl9 s TYR 129 CO 0.40 -3.60 0.00 0.41 -1.34 0.00 0.00 175.55 171.42 3dl9 n GLY 130 N 4.90 -1.12 0.34 8.97 0.00 -1.26 -4.98 105.19 112.03 3dl9 n GLY 130 Ca 0.21 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.47 3dl9 n GLY 130 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dl9 h ARG 131 N 0.00 0.90 -0.57 1.61 2.43 -1.99 -1.01 114.38 115.74 3dl9 h ARG 131 Ca 0.00 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3dl9 h ARG 131 Cb 0.00 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 29.29 3dl9 h ARG 131 CO 0.00 0.59 0.27 0.78 -1.51 0.00 0.00 179.97 180.11 3dl9 h GLY 132 N 0.93 0.81 0.71 2.80 0.00 -1.94 -0.43 103.07 105.94 3dl9 h GLY 132 Ca 0.45 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3dl9 h GLY 132 CO -0.25 0.08 -0.01 -0.25 0.00 0.00 0.00 176.54 176.11 3dl9 h TRP 133 N 0.51 0.14 -0.50 5.60 7.01 -1.60 -1.97 115.95 125.15 3dl9 h TRP 133 Ca 0.27 -0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.33 3dl9 h TRP 133 Cb 0.22 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.17 3dl9 h TRP 133 CO -0.12 0.43 0.07 0.28 -2.79 0.00 0.00 178.44 176.31 3dl9 h VAL 134 N -0.19 0.68 0.01 2.65 2.07 -0.92 0.24 116.25 120.78 3dl9 h VAL 134 Ca 0.02 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3dl9 h VAL 134 Cb 0.38 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3dl9 h VAL 134 CO 0.01 0.03 -0.07 0.44 0.02 0.00 0.00 177.57 178.00 3dl9 h ASP 135 N 0.19 -0.21 0.22 0.57 3.32 -0.99 -0.52 116.42 119.01 3dl9 h ASP 135 Ca 0.25 0.03 -0.21 0.00 0.02 0.00 0.00 57.03 57.13 3dl9 h ASP 135 Cb 0.36 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3dl9 h ASP 135 CO -0.36 -0.11 -0.82 0.45 -1.72 0.00 0.00 179.24 176.68 3dl9 h HIS 136 N -0.13 0.66 0.75 4.55 3.86 -1.11 -2.50 115.15 121.22 3dl9 h HIS 136 Ca 0.03 -0.31 -0.04 0.00 -1.16 0.00 0.00 60.37 58.88 3dl9 h HIS 136 Cb 0.16 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 28.55 3dl9 h HIS 136 CO -0.14 1.11 -0.36 -0.09 0.86 0.00 0.00 177.93 179.31 3dl9 h ARG 137 N 0.30 -0.98 -0.56 2.45 9.65 -0.50 -1.77 114.38 122.97 3dl9 h ARG 137 Ca -0.05 0.07 0.11 0.00 -1.10 0.00 0.00 59.98 59.00 3dl9 h ARG 137 Cb 1.43 0.22 -0.09 0.00 -1.39 0.00 0.00 29.97 30.14 3dl9 h ARG 137 CO 0.15 -0.64 0.06 -0.09 2.80 0.00 0.00 179.97 182.24 3dl9 h ARG 138 N -1.06 0.17 -0.62 0.20 2.43 -1.14 0.02 114.38 114.38 3dl9 h ARG 138 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3dl9 h ARG 138 Cb 0.79 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3dl9 h ARG 138 CO 0.17 0.11 0.39 1.25 -1.51 0.00 0.00 179.97 180.39 3dl9 h LEU 139 N 0.18 0.73 -0.22 3.80 5.85 -1.40 -1.18 115.31 123.07 3dl9 h LEU 139 Ca 0.29 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3dl9 h LEU 139 Cb 0.45 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3dl9 h LEU 139 CO -0.43 0.55 0.05 0.00 -0.34 0.00 0.00 178.44 178.27 3dl9 h ALA 140 N 1.21 0.29 0.29 1.25 0.00 -0.46 0.35 119.26 122.20 3dl9 h ALA 140 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dl9 h ALA 140 Cb -0.06 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3dl9 h ALA 140 CO -0.05 -0.06 -0.25 0.28 0.00 0.00 0.00 179.25 179.17 3dl9 h VAL 141 N 0.17 0.46 -0.77 0.00 2.07 -0.81 -0.39 116.25 116.99 3dl9 h VAL 141 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3dl9 h VAL 141 Cb 0.27 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3dl9 h VAL 141 CO 0.00 0.00 0.51 0.78 0.02 0.00 0.00 177.57 178.88 3dl9 h ASN 142 N -0.56 0.79 -0.21 0.57 2.35 -1.22 -2.44 115.58 114.86 3dl9 h ASN 142 Ca -0.02 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.58 3dl9 h ASN 142 Cb 0.51 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3dl9 h ASN 142 CO -0.03 0.53 -0.40 0.28 -1.65 0.00 0.00 177.43 176.16 3dl9 h SER 143 N 0.91 0.80 -0.10 5.81 0.02 -0.42 -0.81 113.55 119.76 3dl9 h SER 143 Ca 0.32 -0.36 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 3dl9 h SER 143 Cb 0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3dl9 h SER 143 CO -0.10 1.10 -0.48 -0.26 -1.14 0.00 0.00 176.83 175.96 3dl9 h PHE 144 N 0.62 0.80 0.01 3.45 -1.00 -0.68 0.30 116.94 120.43 3dl9 h PHE 144 Ca 0.05 -0.26 -0.00 0.00 2.81 0.00 0.00 57.97 60.57 3dl9 h PHE 144 Cb 0.95 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 40.35 3dl9 h PHE 144 CO 0.05 1.01 -0.00 0.00 -1.61 0.00 0.00 178.31 177.75 3dl9 h ARG 145 N 0.52 -0.01 0.03 1.51 3.08 -1.40 -1.93 114.38 116.19 3dl9 h ARG 145 Ca 0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dl9 h ARG 145 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3dl9 h ARG 145 CO 0.10 0.25 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.31 3dl9 h TYR 146 N -0.27 -0.04 -0.00 3.04 3.20 -0.98 0.52 116.97 122.44 3dl9 h TYR 146 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3dl9 h TYR 146 Cb 0.26 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.55 3dl9 h TYR 146 CO 0.01 0.54 -0.23 1.19 -1.64 0.00 0.00 178.16 178.03 3dl9 n PHE 147 N -4.82 0.00 0.00 -3.82 3.01 0.08 -4.47 117.46 107.44 3dl9 n PHE 147 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3dl9 n PHE 147 Cb 0.30 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 3dl9 n PHE 147 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dl9 n GLY 148 N 1.44 1.35 0.03 1.37 0.00 -0.74 -4.73 105.19 103.91 3dl9 n GLY 148 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.20 3dl9 n GLY 148 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dl9 n TYR 149 N 0.00 0.21 0.38 1.61 0.18 -1.10 -2.09 117.16 116.36 3dl9 n TYR 149 Ca 0.00 0.08 0.12 0.00 1.88 0.00 0.00 57.90 59.98 3dl9 n TYR 149 Cb 0.00 -0.63 0.50 0.00 -0.38 0.00 0.00 39.34 38.83 3dl9 n TYR 149 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3dl9 n GLY 150 N 0.30 -1.26 3.75 -7.48 0.00 0.18 -4.73 105.19 95.96 3dl9 n GLY 150 Ca 0.04 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3dl9 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dl9 s GLN 151 N -3.33 4.07 0.32 1.61 -0.21 -0.89 -4.99 119.66 116.25 3dl9 s GLN 151 Ca 0.04 -0.19 0.11 0.00 0.02 0.00 0.00 55.36 55.33 3dl9 s GLN 151 Cb 0.09 -3.38 0.93 0.00 1.00 0.00 0.00 33.01 31.65 3dl9 s GLN 151 CO 0.38 0.37 1.71 1.57 -2.12 0.00 0.00 175.29 177.21 3dl9 h LYS 152 N 6.40 0.51 0.00 2.91 5.09 -1.88 -1.20 116.57 128.39 3dl9 h LYS 152 Ca -0.43 -0.03 0.00 0.00 0.09 0.00 0.00 60.65 60.28 3dl9 h LYS 152 Cb 1.16 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.38 3dl9 h LYS 152 CO 0.73 0.34 0.00 -1.13 -2.09 0.00 0.00 179.45 177.30 3dl9 n SER 153 N -4.92 0.00 -0.06 7.07 3.41 -1.26 -4.21 113.62 113.64 3dl9 n SER 153 Ca 0.28 -0.16 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 3dl9 n SER 153 Cb 0.80 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3dl9 n SER 153 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dl9 h PHE 154 N 0.00 0.69 -0.66 7.33 3.57 -1.47 -3.11 116.94 123.28 3dl9 h PHE 154 Ca 0.00 -0.24 0.14 0.00 3.53 0.00 0.00 57.97 61.40 3dl9 h PHE 154 Cb 0.22 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 3dl9 h PHE 154 CO 0.00 0.96 0.45 1.49 -2.23 0.00 0.00 178.31 178.98 3dl9 h GLU 155 N 0.22 0.31 0.00 1.11 4.81 -1.79 0.21 114.58 119.45 3dl9 h GLU 155 Ca 0.02 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 3dl9 h GLU 155 Cb 0.90 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3dl9 h GLU 155 CO 0.07 0.21 -0.41 0.66 -0.73 0.00 0.00 179.01 178.81 3dl9 h SER 156 N 0.32 0.00 -0.40 1.04 4.64 -1.83 -1.52 113.55 115.80 3dl9 h SER 156 Ca 0.32 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.55 3dl9 h SER 156 Cb 0.81 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 3dl9 h SER 156 CO -0.08 0.41 -0.06 0.11 -0.87 0.00 0.00 176.83 176.34 3dl9 h LYS 157 N 0.00 0.82 -0.14 4.77 1.57 -0.96 0.14 116.57 122.77 3dl9 h LYS 157 Ca -0.00 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 3dl9 h LYS 157 Cb 1.21 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3dl9 h LYS 157 CO 0.05 0.86 0.05 0.82 -0.57 0.00 0.00 179.45 180.67 3dl9 h ILE 158 N 0.75 1.16 -0.70 1.86 2.04 -1.04 -2.48 117.51 119.10 3dl9 h ILE 158 Ca 0.13 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3dl9 h ILE 158 Cb 0.54 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3dl9 h ILE 158 CO 0.03 0.14 0.43 -0.07 0.00 0.00 0.00 178.15 178.69 3dl9 h LEU 159 N 0.07 0.84 -0.75 1.44 -0.00 -1.04 0.07 115.31 115.93 3dl9 h LEU 159 Ca 0.05 -0.04 0.04 0.00 -0.00 0.00 0.00 57.88 57.93 3dl9 h LEU 159 Cb 0.18 -0.21 -0.05 0.00 -0.00 0.00 0.00 40.66 40.58 3dl9 h LEU 159 CO -0.00 0.64 0.46 -0.33 -0.00 0.00 0.00 178.44 179.21 3dl9 h GLU 160 N 0.97 0.86 -0.55 1.13 5.08 -0.60 -1.38 114.58 120.09 3dl9 h GLU 160 Ca 0.25 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3dl9 h GLU 160 Cb -0.05 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 3dl9 h GLU 160 CO -0.05 0.57 0.13 1.49 -1.00 0.00 0.00 179.01 180.15 3dl9 h GLU 161 N 0.89 0.85 -0.65 2.33 4.57 -0.56 -0.85 114.58 121.14 3dl9 h GLU 161 Ca 0.31 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 3dl9 h GLU 161 Cb 0.07 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 3dl9 h GLU 161 CO -0.13 0.76 0.23 1.79 -1.18 0.00 0.00 179.01 180.48 3dl9 h THR 162 N 0.82 1.24 0.04 0.32 1.35 -0.54 -0.31 112.91 115.83 3dl9 h THR 162 Ca 0.18 -0.79 -0.00 0.00 -0.55 0.00 0.00 66.41 65.25 3dl9 h THR 162 Cb 0.30 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 3dl9 h THR 162 CO -0.00 0.31 -0.02 0.50 -0.25 0.00 0.00 175.52 176.06 3dl9 h LYS 163 N 0.96 -0.06 -0.88 4.72 3.11 -0.19 0.52 116.57 124.76 3dl9 h LYS 163 Ca 0.22 0.00 0.14 0.00 -2.81 0.00 0.00 60.65 58.20 3dl9 h LYS 163 Cb 0.24 0.01 -0.09 0.00 -1.00 0.00 0.00 32.23 31.39 3dl9 h LYS 163 CO -0.01 0.09 0.48 0.74 -2.81 0.00 0.00 179.45 177.94 3dl9 h PHE 164 N -0.19 0.85 0.34 1.91 -1.00 -1.04 0.78 116.94 118.59 3dl9 h PHE 164 Ca -0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 3dl9 h PHE 164 Cb 0.17 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 39.49 3dl9 h PHE 164 CO -0.03 0.25 -0.16 0.35 -1.61 0.00 0.00 178.31 177.10 3dl9 h PHE 165 N 0.71 -0.42 -0.75 -0.55 3.57 -0.69 -1.95 116.94 116.86 3dl9 h PHE 165 Ca 0.47 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.97 3dl9 h PHE 165 Cb 0.61 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3dl9 h PHE 165 CO -0.07 -0.09 0.49 -0.91 -2.23 0.00 0.00 178.31 175.50 3dl9 h ASN 166 N -0.93 0.83 -0.71 0.41 2.35 0.25 -0.97 115.58 116.82 3dl9 h ASN 166 Ca -0.05 -0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.78 3dl9 h ASN 166 Cb 0.52 -0.20 -0.07 0.00 0.05 0.00 0.00 38.32 38.62 3dl9 h ASN 166 CO 0.08 0.59 0.35 0.44 -1.65 0.00 0.00 177.43 177.24 3dl9 h ASP 167 N 0.98 0.46 -0.83 5.81 3.32 -0.90 0.24 116.42 125.51 3dl9 h ASP 167 Ca 0.28 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 3dl9 h ASP 167 Cb -0.08 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 3dl9 h ASP 167 CO -0.08 0.27 0.51 0.00 -1.72 0.00 0.00 179.24 178.22 3dl9 h ALA 168 N 1.42 1.06 -0.61 3.45 0.00 -0.45 -2.50 119.26 121.63 3dl9 h ALA 168 Ca 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3dl9 h ALA 168 Cb 0.35 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3dl9 h ALA 168 CO -0.26 0.52 0.27 0.82 0.00 0.00 0.00 179.25 180.60 3dl9 h ILE 169 N 1.14 1.22 -0.15 0.00 2.04 -0.03 -2.67 117.51 119.06 3dl9 h ILE 169 Ca 0.30 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3dl9 h ILE 169 Cb -0.05 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3dl9 h ILE 169 CO -0.06 0.26 0.03 -0.08 0.00 0.00 0.00 178.15 178.30 3dl9 h GLU 170 N 0.84 0.21 0.00 2.37 4.57 -0.69 -2.80 114.58 119.07 3dl9 h GLU 170 Ca 0.21 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3dl9 h GLU 170 Cb 0.15 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3dl9 h GLU 170 CO -0.02 0.20 -0.03 1.79 -1.18 0.00 0.00 179.01 179.77 3dl9 h THR 171 N 0.21 0.43 0.00 0.32 1.35 -1.09 0.13 112.91 114.26 3dl9 h THR 171 Ca 0.05 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3dl9 h THR 171 Cb 0.10 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3dl9 h THR 171 CO -0.00 0.03 0.00 -1.22 -0.25 0.00 0.00 175.52 174.08 3dl9 n TYR 172 N -3.64 0.09 -3.78 4.73 4.02 -1.06 -4.93 117.16 112.59 3dl9 n TYR 172 Ca -0.03 0.03 -0.24 0.00 -0.01 0.00 0.00 57.90 57.66 3dl9 n TYR 172 Cb 0.13 -0.55 0.02 0.00 -0.02 0.00 0.00 39.34 38.92 3dl9 n TYR 172 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3dl9 n LYS 173 N -1.57 -4.74 -0.46 -0.72 4.76 0.44 -1.74 118.16 114.12 3dl9 n LYS 173 Ca 0.05 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 56.07 3dl9 n LYS 173 Cb 0.27 -5.13 0.00 0.00 -1.84 0.00 0.00 35.03 28.33 3dl9 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dl9 n GLY 174 N -1.66 1.29 3.78 0.72 0.00 -1.23 -5.00 105.19 103.09 3dl9 n GLY 174 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3dl9 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dl9 s ARG 175 N -0.18 3.50 0.23 1.61 0.52 -0.71 -4.40 118.95 119.52 3dl9 s ARG 175 Ca 0.00 1.59 -0.30 0.00 -0.52 0.00 0.00 55.73 56.50 3dl9 s ARG 175 Cb 0.00 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.29 3dl9 s ARG 175 CO 0.00 -0.72 1.35 -1.25 0.02 0.00 0.00 175.30 174.69 3dl9 s PRO 176 N -3.18 4.35 0.22 3.54 0.04 -1.26 -4.67 135.00 134.04 3dl9 s PRO 176 Ca 0.70 2.15 -0.18 0.00 0.04 0.00 0.00 61.00 63.71 3dl9 s PRO 176 Cb -0.23 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.18 3dl9 s PRO 176 CO 0.27 -0.29 0.57 -0.59 0.04 0.00 0.00 177.00 177.00 3dl9 s PHE 177 N -0.07 -0.08 -0.26 0.56 -0.12 -0.67 -4.86 117.98 112.47 3dl9 s PHE 177 Ca 0.57 -0.28 -0.18 0.00 -0.05 0.00 0.00 56.93 56.98 3dl9 s PHE 177 Cb -0.38 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 3dl9 s PHE 177 CO 0.41 -1.01 0.54 0.34 -0.05 0.00 0.00 175.22 175.45 3dl9 s ASP 178 N -2.90 6.47 0.19 1.98 3.68 -1.26 -0.99 116.67 123.83 3dl9 s ASP 178 Ca 0.11 0.56 0.24 0.00 2.13 0.00 0.00 52.55 55.60 3dl9 s ASP 178 Cb -0.02 -2.29 0.91 0.00 -1.45 0.00 0.00 42.92 40.06 3dl9 s ASP 178 CO 0.01 -0.30 1.74 0.49 0.13 0.00 0.00 175.17 177.24 3dl9 n PHE 179 N 5.54 0.72 -0.25 -5.34 0.99 -1.26 -4.28 117.46 113.58 3dl9 n PHE 179 Ca -0.03 0.24 0.03 0.00 -0.00 0.00 0.00 57.45 57.69 3dl9 n PHE 179 Cb 0.50 -0.89 0.12 0.00 -1.00 0.00 0.00 39.48 38.20 3dl9 n PHE 179 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 3dl9 h LYS 180 N 0.00 0.05 0.06 -1.08 3.64 -1.93 -1.19 116.57 116.12 3dl9 h LYS 180 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3dl9 h LYS 180 Cb 0.53 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3dl9 h LYS 180 CO 0.00 0.03 -0.03 0.37 -2.27 0.00 0.00 179.45 177.56 3dl9 h GLN 181 N 0.05 -0.08 -0.35 1.90 5.75 -2.00 -1.43 115.11 118.96 3dl9 h GLN 181 Ca 0.38 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.88 3dl9 h GLN 181 Cb 0.63 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 3dl9 h GLN 181 CO -0.69 0.32 0.20 -0.07 -2.65 0.00 0.00 178.83 175.94 3dl9 h LEU 182 N -0.49 0.42 -0.49 -2.39 3.38 -1.77 0.94 115.31 114.92 3dl9 h LEU 182 Ca -0.01 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3dl9 h LEU 182 Cb 0.43 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3dl9 h LEU 182 CO 0.01 0.37 0.17 0.40 0.09 0.00 0.00 178.44 179.49 3dl9 h ILE 183 N 0.45 0.84 -0.06 1.22 2.04 -1.21 0.13 117.51 120.92 3dl9 h ILE 183 Ca 0.12 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3dl9 h ILE 183 Cb 0.03 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3dl9 h ILE 183 CO -0.02 0.06 0.04 0.74 0.00 0.00 0.00 178.15 178.97 3dl9 h THR 184 N 0.35 1.03 -0.21 -0.27 2.02 -0.85 0.52 112.91 115.50 3dl9 h THR 184 Ca 0.23 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.39 3dl9 h THR 184 Cb 0.24 0.97 -0.07 0.00 -1.74 0.00 0.00 68.15 67.55 3dl9 h THR 184 CO -0.24 0.02 -0.50 0.78 0.37 0.00 0.00 175.52 175.96 3dl9 h ASN 185 N 0.06 -1.59 0.03 4.18 2.35 -0.40 -1.43 115.58 118.78 3dl9 h ASN 185 Ca 0.02 0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.99 3dl9 h ASN 185 Cb 0.01 0.64 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3dl9 h ASN 185 CO -0.00 -0.44 -0.12 0.00 -1.65 0.00 0.00 177.43 175.21 3dl9 h ALA 186 N -0.04 -0.16 -0.49 -0.83 0.00 -0.50 -1.77 119.26 115.47 3dl9 h ALA 186 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3dl9 h ALA 186 Cb 0.64 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3dl9 h ALA 186 CO -0.47 -0.62 0.13 0.28 0.00 0.00 0.00 179.25 178.57 3dl9 h VAL 187 N -0.22 1.24 -0.75 0.00 2.07 -0.83 -2.93 116.25 114.83 3dl9 h VAL 187 Ca 0.03 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 3dl9 h VAL 187 Cb 0.26 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3dl9 h VAL 187 CO -0.10 0.29 0.31 0.77 0.02 0.00 0.00 177.57 178.87 3dl9 h SER 188 N 0.66 1.01 -0.75 0.57 4.64 -1.06 -2.01 113.55 116.62 3dl9 h SER 188 Ca 0.15 -0.14 0.17 0.00 -0.47 0.00 0.00 61.79 61.50 3dl9 h SER 188 Cb 0.31 -0.26 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3dl9 h SER 188 CO -0.00 0.89 0.51 0.78 -0.87 0.00 0.00 176.83 178.14 3dl9 h ASN 189 N 1.08 0.29 -0.43 4.97 2.35 -1.13 -1.09 115.58 121.62 3dl9 h ASN 189 Ca 0.25 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3dl9 h ASN 189 Cb 0.19 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3dl9 h ASN 189 CO -0.02 0.14 0.05 0.40 -1.65 0.00 0.00 177.43 176.35 3dl9 h ILE 190 N 0.31 1.23 0.06 2.81 1.08 -1.33 -1.93 117.51 119.74 3dl9 h ILE 190 Ca 0.37 -0.92 -0.26 0.00 -0.39 0.00 0.00 64.86 63.65 3dl9 h ILE 190 Cb 1.00 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 3dl9 h ILE 190 CO -0.10 0.33 -1.33 0.71 -0.69 0.00 0.00 178.15 177.07 3dl9 h THR 191 N 0.76 1.35 -1.00 -0.27 1.35 -1.50 -3.19 112.91 110.41 3dl9 h THR 191 Ca 0.16 -3.04 0.23 0.00 -0.55 0.00 0.00 66.41 63.20 3dl9 h THR 191 Cb 0.38 2.76 -0.12 0.00 -1.73 0.00 0.00 68.15 69.45 3dl9 h THR 191 CO 0.01 0.83 0.59 0.78 -0.25 0.00 0.00 175.52 177.48 3dl9 h ASN 192 N 0.03 0.70 -0.59 5.36 2.35 -0.92 0.23 115.58 122.74 3dl9 h ASN 192 Ca -0.15 0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3dl9 h ASN 192 Cb 1.92 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 40.26 3dl9 h ASN 192 CO 0.14 0.15 0.32 -0.07 -1.65 0.00 0.00 177.43 176.33 3dl9 h LEU 193 N 0.63 0.49 -0.16 1.61 3.38 -1.05 0.16 115.31 120.37 3dl9 h LEU 193 Ca 0.62 0.02 -0.23 0.00 0.09 0.00 0.00 57.88 58.39 3dl9 h LEU 193 Cb 1.12 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.81 3dl9 h LEU 193 CO -0.45 0.33 -0.80 0.40 0.09 0.00 0.00 178.44 178.01 3dl9 h ILE 194 N 0.62 1.28 0.12 1.22 2.04 -0.87 -1.34 117.51 120.58 3dl9 h ILE 194 Ca 0.26 -2.00 -0.28 0.00 1.00 0.00 0.00 64.86 63.84 3dl9 h ILE 194 Cb 0.13 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3dl9 h ILE 194 CO -0.15 0.63 -1.41 0.40 0.00 0.00 0.00 178.15 177.62 3dl9 h ILE 195 N 0.52 1.05 -0.01 -0.67 2.04 -0.57 -1.66 117.51 118.21 3dl9 h ILE 195 Ca -0.06 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.39 3dl9 h ILE 195 Cb 1.42 2.74 0.00 0.00 -0.74 0.00 0.00 36.82 40.25 3dl9 h ILE 195 CO 0.16 0.72 -0.05 0.49 0.00 0.00 0.00 178.15 179.47 3dl9 n PHE 196 N -3.90 0.00 -1.22 1.37 3.72 0.52 -2.91 117.46 115.03 3dl9 n PHE 196 Ca -0.24 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.08 3dl9 n PHE 196 Cb 0.91 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 3dl9 n PHE 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dl9 n GLY 197 N 0.62 0.86 3.47 1.37 0.00 -0.50 -4.95 105.19 106.06 3dl9 n GLY 197 Ca 0.05 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3dl9 n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dl9 s GLU 198 N -2.36 1.32 0.26 1.61 -1.05 -1.16 -4.89 118.70 112.42 3dl9 s GLU 198 Ca 0.00 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.00 3dl9 s GLU 198 Cb 0.00 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.16 3dl9 s GLU 198 CO 0.00 -0.55 0.43 -0.98 0.95 0.00 0.00 175.26 175.11 3dl9 s ARG 199 N -3.86 3.49 0.16 -4.83 1.70 -1.26 -2.51 118.95 111.84 3dl9 s ARG 199 Ca 0.08 -0.44 0.08 0.00 -0.47 0.00 0.00 55.73 54.98 3dl9 s ARG 199 Cb -0.00 -2.79 -0.04 0.00 -0.57 0.00 0.00 34.95 31.54 3dl9 s ARG 199 CO -0.05 0.33 -0.06 -0.06 -1.08 0.00 0.00 175.30 174.38 3dl9 s PHE 200 N -2.04 2.75 0.59 5.89 0.40 -1.26 -5.05 117.98 119.26 3dl9 s PHE 200 Ca 0.38 -0.17 -0.09 0.00 -0.60 0.00 0.00 56.93 56.45 3dl9 s PHE 200 Cb -0.10 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 3dl9 s PHE 200 CO 0.31 0.49 0.97 0.95 0.70 0.00 0.00 175.22 178.64 3dl9 s THR 201 N -1.58 4.53 -2.00 0.64 -4.23 -1.26 -4.92 115.64 106.82 3dl9 s THR 201 Ca 0.25 0.60 0.19 0.00 -1.18 0.00 0.00 61.69 61.55 3dl9 s THR 201 Cb -0.10 -3.79 0.55 0.00 1.34 0.00 0.00 72.50 70.50 3dl9 s THR 201 CO 0.16 -0.96 1.58 -1.22 -0.54 0.00 0.00 174.62 173.64 3dl9 n TYR 202 N -2.65 0.00 0.98 3.99 0.53 -1.26 -1.24 117.16 117.51 3dl9 n TYR 202 Ca 0.05 0.00 0.11 0.00 -1.02 0.00 0.00 57.90 57.04 3dl9 n TYR 202 Cb 0.55 0.00 0.13 0.00 -1.03 0.00 0.00 39.34 38.99 3dl9 n TYR 202 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3dl9 n GLU 203 N -0.91 0.01 -1.54 -0.72 4.71 -1.26 -4.78 120.64 116.15 3dl9 n GLU 203 Ca 0.14 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.93 3dl9 n GLU 203 Cb 0.07 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 28.93 3dl9 n GLU 203 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3dl9 n ASP 204 N -1.52 2.71 0.18 1.62 4.64 -0.37 -4.70 116.55 119.10 3dl9 n ASP 204 Ca 0.05 -2.68 0.14 0.00 -1.38 0.00 0.00 54.79 50.91 3dl9 n ASP 204 Cb 0.34 -1.37 0.52 0.00 -1.04 0.00 0.00 41.12 39.57 3dl9 n ASP 204 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 3dl9 h THR 205 N 5.25 0.00 -0.15 5.18 1.35 -1.87 -2.38 112.91 120.29 3dl9 h THR 205 Ca 0.32 -0.38 -0.05 0.00 -0.55 0.00 0.00 66.41 65.75 3dl9 h THR 205 Cb 0.79 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3dl9 h THR 205 CO 1.63 0.00 -0.11 0.44 -0.25 0.00 0.00 175.52 177.23 3dl9 h ASP 206 N 0.00 0.36 -0.50 5.36 3.32 -1.99 -0.78 116.42 122.19 3dl9 h ASP 206 Ca 0.00 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 3dl9 h ASP 206 Cb 0.48 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3dl9 h ASP 206 CO 0.00 0.74 0.11 0.15 -1.72 0.00 0.00 179.24 178.52 3dl9 h PHE 207 N -0.01 0.85 -0.91 4.55 3.57 -1.90 -1.93 116.94 121.15 3dl9 h PHE 207 Ca 0.03 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.44 3dl9 h PHE 207 Cb 0.62 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 3dl9 h PHE 207 CO 0.08 0.76 0.60 1.96 -2.23 0.00 0.00 178.31 179.48 3dl9 h GLN 208 N 0.69 1.16 -0.53 1.11 4.20 -1.42 -1.55 115.11 118.77 3dl9 h GLN 208 Ca 0.15 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 3dl9 h GLN 208 Cb 0.35 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3dl9 h GLN 208 CO 0.00 0.77 0.02 1.25 -0.67 0.00 0.00 178.83 180.20 3dl9 h HIS 209 N 1.20 0.94 -0.83 2.96 2.76 -0.87 -1.14 115.15 120.16 3dl9 h HIS 209 Ca 0.35 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3dl9 h HIS 209 Cb -0.07 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.59 3dl9 h HIS 209 CO -0.01 0.84 0.47 1.98 -1.30 0.00 0.00 177.93 179.92 3dl9 h MET 210 N 0.82 1.15 -0.11 5.26 1.85 -0.67 -2.50 114.93 120.73 3dl9 h MET 210 Ca 0.16 -0.12 -0.11 0.00 -0.61 0.00 0.00 59.70 59.01 3dl9 h MET 210 Cb 0.46 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3dl9 h MET 210 CO 0.02 0.83 -0.44 0.82 -0.40 0.00 0.00 176.91 177.75 3dl9 h ILE 211 N 1.15 1.32 -0.56 1.77 2.04 -0.85 -2.34 117.51 120.05 3dl9 h ILE 211 Ca 0.29 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.52 3dl9 h ILE 211 Cb 0.00 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3dl9 h ILE 211 CO -0.05 0.47 0.16 -0.08 0.00 0.00 0.00 178.15 178.65 3dl9 h GLU 212 N 0.21 0.87 -0.11 2.37 4.81 -0.98 -0.34 114.58 121.41 3dl9 h GLU 212 Ca 0.02 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 58.92 3dl9 h GLU 212 Cb 0.86 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3dl9 h GLU 212 CO 0.07 0.80 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.60 3dl9 h LEU 213 N 0.78 0.32 -0.41 1.64 3.38 -1.32 -2.45 115.31 117.25 3dl9 h LEU 213 Ca 0.18 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3dl9 h LEU 213 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dl9 h LEU 213 CO -0.00 0.75 -0.68 0.15 0.09 0.00 0.00 178.44 178.75 3dl9 h PHE 214 N 0.24 0.64 -0.05 1.13 -0.00 -1.05 -2.48 116.94 115.37 3dl9 h PHE 214 Ca 0.01 -0.27 -0.00 0.00 -0.00 0.00 0.00 57.97 57.71 3dl9 h PHE 214 Cb 0.94 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 36.78 3dl9 h PHE 214 CO 0.02 1.02 0.02 0.77 -0.00 0.00 0.00 178.31 180.15 3dl9 h SER 215 N 0.35 0.07 -0.83 0.41 0.02 -0.98 -2.35 113.55 110.24 3dl9 h SER 215 Ca -0.02 -0.16 0.20 0.00 -0.84 0.00 0.00 61.79 60.97 3dl9 h SER 215 Cb 1.26 -0.02 -0.13 0.00 0.14 0.00 0.00 62.40 63.64 3dl9 h SER 215 CO 0.12 0.21 0.17 -0.33 -1.14 0.00 0.00 176.83 175.86 3dl9 h GLU 216 N -0.08 0.19 -0.75 3.45 5.08 -1.30 -0.72 114.58 120.45 3dl9 h GLU 216 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3dl9 h GLU 216 Cb 0.16 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3dl9 h GLU 216 CO -0.00 0.13 0.47 -0.91 -1.00 0.00 0.00 179.01 177.70 3dl9 h ASN 217 N 0.20 0.88 -0.27 1.42 4.21 -1.08 0.35 115.58 121.29 3dl9 h ASN 217 Ca 0.49 -0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.93 3dl9 h ASN 217 Cb 0.94 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.90 3dl9 h ASN 217 CO -0.63 0.67 0.09 0.58 -1.29 0.00 0.00 177.43 176.84 3dl9 h VAL 218 N 1.02 1.16 0.03 2.81 2.07 -0.66 -0.67 116.25 122.02 3dl9 h VAL 218 Ca 0.27 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3dl9 h VAL 218 Cb -0.07 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3dl9 h VAL 218 CO -0.05 0.20 -0.02 -0.08 0.02 0.00 0.00 177.57 177.64 3dl9 h GLU 219 N 0.49 -0.04 0.00 1.57 4.81 -0.16 -2.85 114.58 118.39 3dl9 h GLU 219 Ca 0.12 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3dl9 h GLU 219 Cb 0.18 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3dl9 h GLU 219 CO -0.00 0.53 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.69 3dl9 h LEU 220 N -0.66 0.00 -2.52 1.64 3.38 -0.22 -1.86 115.31 115.08 3dl9 h LEU 220 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3dl9 h LEU 220 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3dl9 h LEU 220 CO 0.01 0.04 0.09 0.00 0.09 0.00 0.00 178.44 178.67 3dl9 h ALA 221 N 1.96 1.42 -0.01 1.53 0.00 -1.17 -1.94 119.26 121.05 3dl9 h ALA 221 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dl9 h ALA 221 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3dl9 h ALA 221 CO 0.01 -0.12 -0.48 0.00 0.00 0.00 0.00 179.25 178.66 3dl9 n ALA 222 N -2.21 3.57 -1.72 0.00 0.00 -0.70 -4.73 120.51 114.72 3dl9 n ALA 222 Ca -0.02 -0.54 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 3dl9 n ALA 222 Cb 0.17 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.70 3dl9 n ALA 222 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dl9 s SER 223 N -2.59 6.02 0.25 0.00 1.04 -0.73 -4.88 113.70 112.80 3dl9 s SER 223 Ca 0.18 1.77 -0.04 0.00 0.48 0.00 0.00 55.95 58.34 3dl9 s SER 223 Cb 0.18 -2.53 0.47 0.00 0.10 0.00 0.00 66.02 64.24 3dl9 s SER 223 CO 0.60 -1.01 1.72 0.00 0.98 0.00 0.00 173.24 175.54 3dl9 h ALA 224 N 0.63 1.05 -0.94 5.32 0.00 -1.94 -1.57 119.26 121.81 3dl9 h ALA 224 Ca -0.47 0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.77 3dl9 h ALA 224 Cb 1.21 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.00 3dl9 h ALA 224 CO 0.58 -0.24 0.51 0.77 0.00 0.00 0.00 179.25 180.87 3dl9 h SER 225 N 0.41 0.57 0.57 0.00 0.02 -1.92 0.13 113.55 113.33 3dl9 h SER 225 Ca 0.42 0.13 -0.29 0.00 -0.84 0.00 0.00 61.79 61.21 3dl9 h SER 225 Cb 0.66 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 3dl9 h SER 225 CO -0.42 0.13 -1.39 0.58 -1.14 0.00 0.00 176.83 174.59 3dl9 h VAL 226 N 0.57 1.31 -1.00 2.27 2.07 -1.56 -0.39 116.25 119.52 3dl9 h VAL 226 Ca 0.57 -2.95 0.04 0.00 0.82 0.00 0.00 66.70 65.19 3dl9 h VAL 226 Cb 1.00 2.82 -0.06 0.00 -1.52 0.00 0.00 31.29 33.53 3dl9 h VAL 226 CO -0.45 0.84 0.66 -0.26 0.02 0.00 0.00 177.57 178.38 3dl9 h PHE 227 N 0.06 1.23 -0.06 1.57 -1.00 -0.37 -0.57 116.94 117.80 3dl9 h PHE 227 Ca -0.18 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.61 3dl9 h PHE 227 Cb 1.98 -0.41 -0.00 0.00 3.61 0.00 0.00 35.95 41.13 3dl9 h PHE 227 CO 0.05 0.70 -0.04 -0.07 -1.61 0.00 0.00 178.31 177.35 3dl9 h LEU 228 N 1.26 0.13 -0.64 1.54 3.38 -0.76 -2.63 115.31 117.59 3dl9 h LEU 228 Ca 0.40 -0.46 0.13 0.00 0.09 0.00 0.00 57.88 58.05 3dl9 h LEU 228 Cb 0.02 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.61 3dl9 h LEU 228 CO -0.13 0.56 -0.08 0.22 0.09 0.00 0.00 178.44 179.10 3dl9 h TYR 229 N -0.30 -0.20 -0.37 1.13 3.20 -0.78 0.63 116.97 120.29 3dl9 h TYR 229 Ca 0.01 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3dl9 h TYR 229 Cb 0.52 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 3dl9 h TYR 229 CO 0.08 -0.23 -0.03 -0.91 -1.64 0.00 0.00 178.16 175.43 3dl9 h ASN 230 N 0.05 0.56 -0.06 -2.11 2.35 -1.11 -1.30 115.58 113.96 3dl9 h ASN 230 Ca 0.33 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3dl9 h ASN 230 Cb 0.52 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.75 3dl9 h ASN 230 CO -0.61 0.65 -0.13 0.00 -1.65 0.00 0.00 177.43 175.68 3dl9 h ALA 231 N 1.41 0.10 -2.85 -0.83 0.00 -0.80 -3.40 119.26 112.89 3dl9 h ALA 231 Ca 0.11 -0.35 -0.61 0.00 0.00 0.00 0.00 54.91 54.06 3dl9 h ALA 231 Cb 0.40 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.77 3dl9 h ALA 231 CO 0.02 -0.01 -0.67 1.19 0.00 0.00 0.00 179.25 179.78 3dl9 n PHE 232 N -4.62 2.35 0.29 0.00 3.01 0.21 -4.96 117.46 113.73 3dl9 n PHE 232 Ca -0.08 -4.08 0.16 0.00 1.01 0.00 0.00 57.45 54.46 3dl9 n PHE 232 Cb 0.38 -0.43 0.77 0.00 -0.01 0.00 0.00 39.48 40.18 3dl9 n PHE 232 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3dl9 h PRO 233 N 5.32 0.00 0.00 -1.08 0.11 -1.46 -0.96 132.00 133.93 3dl9 h PRO 233 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3dl9 h PRO 233 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3dl9 h PRO 233 CO 0.65 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.55 3dl9 h TRP 234 N 0.00 0.00 0.00 0.65 5.08 -1.93 -1.18 115.95 118.56 3dl9 h TRP 234 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3dl9 h TRP 234 Cb 0.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.34 3dl9 h TRP 234 CO 0.00 0.00 0.22 0.82 -1.28 0.00 0.00 178.44 178.20 3dl9 h ILE 235 N 0.00 0.00 -0.18 0.12 2.04 -1.49 -2.13 117.51 115.87 3dl9 h ILE 235 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3dl9 h ILE 235 Cb 0.02 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3dl9 h ILE 235 CO 0.00 0.00 0.31 1.23 0.00 0.00 0.00 178.15 179.69 3dl9 h GLY 236 N 0.00 0.00 2.00 5.37 0.00 -1.46 -0.81 103.07 108.17 3dl9 h GLY 236 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3dl9 h GLY 236 CO 0.00 0.00 -0.27 -2.22 0.00 0.00 0.00 176.54 174.05 3dl9 h ILE 237 N 0.00 1.10 -2.97 2.60 2.04 -1.64 -3.43 117.51 115.20 3dl9 h ILE 237 Ca 0.08 -0.94 -0.55 0.00 1.00 0.00 0.00 64.86 64.46 3dl9 h ILE 237 Cb 0.70 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3dl9 h ILE 237 CO -0.00 0.26 0.79 -0.76 0.00 0.00 0.00 178.15 178.44 3dl9 s LEU 238 N -8.18 4.30 0.45 1.44 1.43 -0.31 -4.92 118.68 112.88 3dl9 s LEU 238 Ca -0.03 1.98 0.25 0.00 -1.03 0.00 0.00 54.13 55.30 3dl9 s LEU 238 Cb 0.15 -3.56 0.75 0.00 0.03 0.00 0.00 46.19 43.56 3dl9 s LEU 238 CO 0.69 -0.67 1.75 1.55 0.23 0.00 0.00 176.35 179.90 3dl9 h PRO 239 N 7.74 0.00 -6.18 1.29 0.13 -1.87 -3.46 132.00 129.65 3dl9 h PRO 239 Ca -0.36 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.25 3dl9 h PRO 239 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 3dl9 h PRO 239 CO 0.90 0.11 -0.51 -0.06 -0.23 0.00 0.00 178.00 178.21 3dl9 s PHE 240 N -3.42 3.23 0.00 1.56 0.40 -1.26 -4.84 117.98 113.66 3dl9 s PHE 240 Ca 0.03 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 3dl9 s PHE 240 Cb 0.08 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 42.11 3dl9 s PHE 240 CO 0.63 0.50 0.00 0.41 0.70 0.00 0.00 175.22 177.47 3dl9 n GLY 241 N -0.92 2.60 0.27 4.36 0.00 -1.26 -4.73 105.19 105.51 3dl9 n GLY 241 Ca -0.08 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 43.98 3dl9 n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dl9 h LYS 242 N 0.00 0.00 -0.40 1.61 1.57 -1.97 -2.45 116.57 114.93 3dl9 h LYS 242 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3dl9 h LYS 242 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3dl9 h LYS 242 CO 0.00 0.10 -0.27 1.12 -0.57 0.00 0.00 179.45 179.84 3dl9 h HIS 243 N 0.00 0.98 -0.30 -1.35 2.07 -1.89 -1.56 115.15 113.10 3dl9 h HIS 243 Ca -0.00 -0.25 -0.17 0.00 -2.85 0.00 0.00 60.37 57.11 3dl9 h HIS 243 Cb 0.30 -0.23 -0.00 0.00 2.57 0.00 0.00 27.41 30.05 3dl9 h HIS 243 CO 0.00 1.02 -0.48 1.96 -3.07 0.00 0.00 177.93 177.36 3dl9 h GLN 244 N 0.73 0.82 -0.58 5.12 1.08 -1.73 -1.78 115.11 118.77 3dl9 h GLN 244 Ca 0.09 -0.47 0.08 0.00 -1.45 0.00 0.00 58.65 56.90 3dl9 h GLN 244 Cb 0.81 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.22 3dl9 h GLN 244 CO 0.07 1.11 0.23 0.37 -0.95 0.00 0.00 178.83 179.65 3dl9 h GLN 245 N 0.64 0.41 -0.08 1.46 4.15 -1.47 -0.11 115.11 120.11 3dl9 h GLN 245 Ca 0.03 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3dl9 h GLN 245 Cb 1.06 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 3dl9 h GLN 245 CO 0.11 0.27 0.04 1.25 -1.93 0.00 0.00 178.83 178.56 3dl9 h LEU 246 N 0.42 0.11 -0.76 -2.39 6.46 -1.00 -0.38 115.31 117.77 3dl9 h LEU 246 Ca 0.28 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3dl9 h LEU 246 Cb 0.31 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 3dl9 h LEU 246 CO -0.27 0.21 0.37 -0.26 -0.62 0.00 0.00 178.44 177.87 3dl9 h PHE 247 N -0.01 1.10 0.45 1.25 0.04 -1.17 0.87 116.94 119.47 3dl9 h PHE 247 Ca 0.03 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3dl9 h PHE 247 Cb 0.14 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 37.95 3dl9 h PHE 247 CO -0.03 0.80 -0.22 -0.09 -0.60 0.00 0.00 178.31 178.18 3dl9 h ARG 248 N 1.07 -0.58 -0.72 1.51 2.43 -0.90 -1.64 114.38 115.55 3dl9 h ARG 248 Ca 0.26 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.62 3dl9 h ARG 248 Cb 0.12 0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 29.69 3dl9 h ARG 248 CO -0.03 -0.38 0.17 -0.91 -1.51 0.00 0.00 179.97 177.30 3dl9 h ASN 249 N -0.62 0.01 -0.48 -3.80 4.21 -0.88 -1.72 115.58 112.29 3dl9 h ASN 249 Ca -0.06 0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 3dl9 h ASN 249 Cb 0.47 0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 3dl9 h ASN 249 CO 0.10 -0.03 0.15 0.00 -1.29 0.00 0.00 177.43 176.36 3dl9 h ALA 250 N 1.59 1.26 0.54 -0.83 0.00 -0.50 -0.49 119.26 120.84 3dl9 h ALA 250 Ca 0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3dl9 h ALA 250 Cb 0.67 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3dl9 h ALA 250 CO -0.50 0.52 -0.26 0.00 0.00 0.00 0.00 179.25 179.02 3dl9 h ALA 251 N 1.38 -0.73 -0.74 0.00 0.00 -0.45 -0.33 119.26 118.39 3dl9 h ALA 251 Ca 0.18 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3dl9 h ALA 251 Cb 0.26 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3dl9 h ALA 251 CO -0.01 -0.81 0.29 0.28 0.00 0.00 0.00 179.25 179.01 3dl9 h VAL 252 N -0.92 0.68 -0.44 0.00 2.07 -1.19 -2.00 116.25 114.45 3dl9 h VAL 252 Ca -0.07 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3dl9 h VAL 252 Cb 0.62 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3dl9 h VAL 252 CO 0.12 0.08 0.13 0.58 0.02 0.00 0.00 177.57 178.50 3dl9 h VAL 253 N 0.45 1.23 -0.76 2.57 2.07 -1.00 -2.56 116.25 118.24 3dl9 h VAL 253 Ca 0.40 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3dl9 h VAL 253 Cb 0.58 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 3dl9 h VAL 253 CO -0.39 0.27 0.48 0.22 0.02 0.00 0.00 177.57 178.17 3dl9 h TYR 254 N 0.58 0.89 0.06 1.57 3.20 -0.42 -1.43 116.97 121.41 3dl9 h TYR 254 Ca 0.14 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3dl9 h TYR 254 Cb 0.28 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3dl9 h TYR 254 CO 0.01 0.50 -0.03 0.22 -1.64 0.00 0.00 178.16 177.23 3dl9 h ASP 255 N 0.92 -0.07 -0.03 -2.11 1.82 -1.24 -2.26 116.42 113.44 3dl9 h ASP 255 Ca 0.31 -0.32 0.04 0.00 -0.39 0.00 0.00 57.03 56.67 3dl9 h ASP 255 Cb 0.03 0.02 -0.05 0.00 0.68 0.00 0.00 39.33 40.01 3dl9 h ASP 255 CO -0.12 0.29 -0.29 0.15 -1.61 0.00 0.00 179.24 177.66 3dl9 h PHE 256 N -0.43 -0.79 -0.93 0.28 3.57 -1.33 -1.36 116.94 115.94 3dl9 h PHE 256 Ca -0.01 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.62 3dl9 h PHE 256 Cb 0.38 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 3dl9 h PHE 256 CO 0.04 -0.38 0.60 -0.07 -2.23 0.00 0.00 178.31 176.27 3dl9 h LEU 257 N -0.42 0.86 -1.00 0.59 3.38 -1.27 -0.43 115.31 117.02 3dl9 h LEU 257 Ca 0.07 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 3dl9 h LEU 257 Cb 0.52 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3dl9 h LEU 257 CO -0.27 0.51 -0.47 0.77 0.09 0.00 0.00 178.44 179.07 3dl9 h SER 258 N 0.95 0.07 -0.21 -0.43 4.64 -0.81 -1.55 113.55 116.22 3dl9 h SER 258 Ca 0.43 -0.03 -0.18 0.00 -0.47 0.00 0.00 61.79 61.53 3dl9 h SER 258 Cb 0.38 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3dl9 h SER 258 CO -0.19 0.53 -0.59 0.03 -0.87 0.00 0.00 176.83 175.74 3dl9 h ARG 259 N 0.05 0.77 -0.67 4.77 3.08 -0.03 -1.96 114.38 120.39 3dl9 h ARG 259 Ca 0.00 -0.55 0.06 0.00 0.07 0.00 0.00 59.98 59.57 3dl9 h ARG 259 Cb 0.85 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.94 3dl9 h ARG 259 CO 0.06 1.17 0.37 -0.07 -1.07 0.00 0.00 179.97 180.43 3dl9 h LEU 260 N 0.50 0.54 -0.96 3.04 3.38 -1.13 -1.90 115.31 118.78 3dl9 h LEU 260 Ca -0.01 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3dl9 h LEU 260 Cb 1.21 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3dl9 h LEU 260 CO 0.13 0.34 0.18 0.40 0.09 0.00 0.00 178.44 179.58 3dl9 h ILE 261 N 0.67 1.24 0.43 1.22 2.04 -1.11 0.16 117.51 122.16 3dl9 h ILE 261 Ca 0.31 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3dl9 h ILE 261 Cb 0.21 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3dl9 h ILE 261 CO -0.19 0.31 -0.21 -0.33 0.00 0.00 0.00 178.15 177.73 3dl9 h GLU 262 N 0.91 -0.56 -0.88 2.37 4.39 -1.15 -2.07 114.58 117.59 3dl9 h GLU 262 Ca 0.20 0.04 0.18 0.00 0.34 0.00 0.00 59.36 60.12 3dl9 h GLU 262 Cb 0.27 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 3dl9 h GLU 262 CO -0.01 -0.29 0.58 0.87 -1.16 0.00 0.00 179.01 179.00 3dl9 h LYS 263 N -0.74 0.47 0.00 2.33 1.57 -1.08 0.01 116.57 119.13 3dl9 h LYS 263 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3dl9 h LYS 263 Cb 0.52 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3dl9 h LYS 263 CO 0.10 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 3dl9 h ALA 264 N 1.62 1.00 -0.00 3.86 0.00 -0.39 -3.21 119.26 122.13 3dl9 h ALA 264 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3dl9 h ALA 264 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3dl9 h ALA 264 CO -0.19 0.00 -0.75 -1.13 0.00 0.00 0.00 179.25 177.19 3dl9 n SER 265 N -3.07 1.21 -0.20 0.00 3.41 -0.07 -4.65 113.62 110.26 3dl9 n SER 265 Ca 0.02 -1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 57.43 3dl9 n SER 265 Cb 0.38 0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 65.12 3dl9 n SER 265 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3dl9 h VAL 266 N 0.70 0.07 -0.36 -3.33 2.07 -1.40 -1.51 116.25 112.50 3dl9 h VAL 266 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3dl9 h VAL 266 Cb 0.52 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 3dl9 h VAL 266 CO 0.00 0.00 0.10 0.59 0.02 0.00 0.00 177.57 178.28 3dl9 n ASN 267 N -5.40 3.40 -4.74 0.57 3.02 -1.26 -4.98 115.26 105.88 3dl9 n ASN 267 Ca 0.01 -2.58 -0.42 0.00 -0.03 0.00 0.00 54.58 51.57 3dl9 n ASN 267 Cb 0.35 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 3dl9 n ASN 267 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3dl9 s ARG 268 N -1.83 4.14 -0.48 3.52 3.52 -0.57 -4.96 118.95 122.30 3dl9 s ARG 268 Ca 0.28 2.55 -0.13 0.00 -0.13 0.00 0.00 55.73 58.30 3dl9 s ARG 268 Cb 0.22 -3.05 0.10 0.00 -1.56 0.00 0.00 34.95 30.66 3dl9 s ARG 268 CO 0.07 -0.64 0.38 0.15 -0.81 0.00 0.00 175.30 174.45 3dl9 s LYS 269 N 0.07 2.76 0.22 5.12 3.01 -1.26 -5.08 119.74 124.58 3dl9 s LYS 269 Ca 0.66 -1.60 -0.28 0.00 -1.01 0.00 0.00 55.97 53.75 3dl9 s LYS 269 Cb -0.47 -4.05 -0.17 0.00 -1.01 0.00 0.00 37.83 32.13 3dl9 s LYS 269 CO 0.42 -1.15 0.57 -2.30 0.51 0.00 0.00 175.35 173.40 3dl9 n PRO 270 N 5.08 0.18 -0.67 -1.68 -0.02 -1.26 -1.50 135.00 135.12 3dl9 n PRO 270 Ca -0.11 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3dl9 n PRO 270 Cb 0.42 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 3dl9 n PRO 270 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dl9 n GLN 271 N 0.97 -1.74 -3.46 -0.52 3.00 -1.26 -4.85 117.38 109.52 3dl9 n GLN 271 Ca 0.17 0.31 -0.26 0.00 -0.01 0.00 0.00 57.00 57.20 3dl9 n GLN 271 Cb 0.26 -4.19 -0.09 0.00 0.00 0.00 0.00 30.24 26.22 3dl9 n GLN 271 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3dl9 n LEU 272 N 0.00 1.27 -4.79 1.08 4.77 -0.56 -5.13 117.00 113.64 3dl9 n LEU 272 Ca 0.00 -4.85 -0.36 0.00 -0.03 0.00 0.00 56.01 50.77 3dl9 n LEU 272 Cb 0.31 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 3dl9 n LEU 272 CO 0.00 1.93 0.70 -2.16 -1.33 0.00 0.00 177.39 176.53 3dl9 s PRO 273 N -1.09 4.29 0.00 3.23 0.04 -1.26 -4.41 135.00 135.81 3dl9 s PRO 273 Ca 0.33 1.40 0.21 0.00 0.04 0.00 0.00 61.00 62.97 3dl9 s PRO 273 Cb 0.08 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 3dl9 s PRO 273 CO -0.13 -0.00 1.01 1.04 0.04 0.00 0.00 177.00 178.95 3dl9 n GLN 274 N 0.02 1.21 -3.68 4.56 1.13 -1.26 -4.96 117.38 114.40 3dl9 n GLN 274 Ca 0.04 -0.83 -0.00 0.00 -1.94 0.00 0.00 57.00 54.27 3dl9 n GLN 274 Cb 0.50 -1.43 0.02 0.00 0.11 0.00 0.00 30.24 29.44 3dl9 n GLN 274 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 3dl9 n HIS 275 N -0.23 -0.83 -0.29 1.08 1.44 -1.26 -4.60 115.22 110.53 3dl9 n HIS 275 Ca 0.08 -0.89 -0.03 0.00 -2.01 0.00 0.00 57.72 54.87 3dl9 n HIS 275 Cb 0.42 0.42 0.12 0.00 0.12 0.00 0.00 29.99 31.08 3dl9 n HIS 275 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3dl9 h PHE 276 N 1.88 1.16 0.11 -1.40 3.57 -1.31 -1.41 116.94 119.55 3dl9 h PHE 276 Ca -0.22 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 3dl9 h PHE 276 Cb 1.06 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.43 3dl9 h PHE 276 CO 0.00 0.81 -0.05 0.28 -2.23 0.00 0.00 178.31 177.12 3dl9 h VAL 277 N 1.17 0.91 -0.99 1.41 2.07 -1.81 0.81 116.25 119.82 3dl9 h VAL 277 Ca 0.29 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.81 3dl9 h VAL 277 Cb 0.05 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 3dl9 h VAL 277 CO -0.04 0.02 0.64 0.44 0.02 0.00 0.00 177.57 178.64 3dl9 h ASP 278 N -0.19 1.01 -0.80 0.57 3.32 -1.82 -0.44 116.42 118.08 3dl9 h ASP 278 Ca -0.02 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3dl9 h ASP 278 Cb 0.15 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 3dl9 h ASP 278 CO 0.03 0.63 0.37 0.00 -1.72 0.00 0.00 179.24 178.55 3dl9 h ALA 279 N 1.46 1.03 -0.19 3.45 0.00 -0.81 -0.04 119.26 124.16 3dl9 h ALA 279 Ca 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3dl9 h ALA 279 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dl9 h ALA 279 CO -0.18 0.61 0.02 -0.92 0.00 0.00 0.00 179.25 178.77 3dl9 h TYR 280 N 1.13 0.35 -0.96 0.00 3.20 0.16 -2.04 116.97 118.81 3dl9 h TYR 280 Ca 0.27 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3dl9 h TYR 280 Cb 0.14 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 3dl9 h TYR 280 CO 0.01 0.49 0.59 -0.07 -1.64 0.00 0.00 178.16 177.55 3dl9 h LEU 281 N 0.10 1.15 -0.98 2.82 3.38 -0.91 -0.92 115.31 119.95 3dl9 h LEU 281 Ca 0.06 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3dl9 h LEU 281 Cb 0.34 -0.29 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 3dl9 h LEU 281 CO 0.01 0.87 0.60 0.44 0.09 0.00 0.00 178.44 180.45 3dl9 h ASP 282 N 1.32 0.84 -0.30 -0.43 3.32 -0.72 -0.89 116.42 119.57 3dl9 h ASP 282 Ca 0.35 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 3dl9 h ASP 282 Cb -0.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3dl9 h ASP 282 CO -0.07 0.40 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.44 3dl9 h GLU 283 N 0.89 0.58 -0.75 3.56 4.39 -0.48 -2.04 114.58 120.72 3dl9 h GLU 283 Ca 0.51 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.99 3dl9 h GLU 283 Cb 0.61 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.19 3dl9 h GLU 283 CO -0.31 0.78 0.50 0.52 -1.16 0.00 0.00 179.01 179.34 3dl9 h MET 284 N 0.34 0.99 -0.35 2.33 2.86 -0.84 -1.17 114.93 119.09 3dl9 h MET 284 Ca 0.07 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3dl9 h MET 284 Cb 0.58 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3dl9 h MET 284 CO 0.03 0.66 0.14 -0.44 1.06 0.00 0.00 176.91 178.35 3dl9 h ASP 285 N 1.02 0.48 0.85 1.22 3.32 -1.02 -2.40 116.42 119.88 3dl9 h ASP 285 Ca 0.28 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3dl9 h ASP 285 Cb -0.12 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3dl9 h ASP 285 CO -0.06 0.52 -0.22 1.56 -1.72 0.00 0.00 179.24 179.32 3dl9 h GLN 286 N 0.41 0.00 -0.63 3.56 4.20 -0.89 -2.70 115.11 119.07 3dl9 h GLN 286 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3dl9 h GLN 286 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3dl9 h GLN 286 CO -0.01 0.22 0.00 0.41 -0.67 0.00 0.00 178.83 178.78 3dl9 n GLY 287 N 0.04 2.82 0.37 3.46 0.00 -0.49 -4.58 105.19 106.81 3dl9 n GLY 287 Ca -0.00 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.23 3dl9 n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dl9 h LYS 288 N 4.01 0.90 0.00 1.61 1.57 -1.08 -2.47 116.57 121.11 3dl9 h LYS 288 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dl9 h LYS 288 Cb 1.50 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3dl9 h LYS 288 CO 0.26 0.60 -0.90 0.09 -0.57 0.00 0.00 179.45 178.92 3dl9 n ASN 289 N -4.56 0.65 -4.64 0.86 3.02 -1.26 -4.74 115.26 104.59 3dl9 n ASN 289 Ca 0.17 -0.36 -0.43 0.00 -0.03 0.00 0.00 54.58 53.93 3dl9 n ASN 289 Cb 0.33 0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 40.18 3dl9 n ASN 289 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3dl9 s ASP 290 N -3.54 6.91 0.16 6.41 -1.08 -0.93 -4.94 116.67 119.67 3dl9 s ASP 290 Ca 0.06 1.07 0.03 0.00 -0.52 0.00 0.00 52.55 53.19 3dl9 s ASP 290 Cb 0.15 -2.50 -0.03 0.00 -1.46 0.00 0.00 42.92 39.09 3dl9 s ASP 290 CO 0.79 -0.71 1.36 1.55 0.52 0.00 0.00 175.17 178.68 3dl9 h PRO 291 N 7.84 0.18 0.00 4.34 0.14 -1.85 -3.12 132.00 139.52 3dl9 h PRO 291 Ca -0.21 -0.20 0.00 0.00 0.14 0.00 0.00 66.00 65.73 3dl9 h PRO 291 Cb 1.07 0.06 0.00 0.00 0.14 0.00 0.00 31.00 32.27 3dl9 h PRO 291 CO 0.96 0.96 0.00 -1.13 0.14 0.00 0.00 178.00 178.93 3dl9 n SER 292 N -3.63 0.00 -4.57 1.44 3.41 -1.26 -4.83 113.62 104.19 3dl9 n SER 292 Ca -0.03 -0.16 -0.52 0.00 -0.26 0.00 0.00 58.87 57.89 3dl9 n SER 292 Cb 0.82 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.45 3dl9 n SER 292 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3dl9 n SER 293 N -1.26 1.18 -0.17 4.04 2.88 -1.18 -4.88 113.62 114.22 3dl9 n SER 293 Ca 0.14 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.92 3dl9 n SER 293 Cb 0.21 -1.15 -0.02 0.00 -0.75 0.00 0.00 64.21 62.50 3dl9 n SER 293 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3dl9 n THR 294 N 1.94 0.00 -2.46 2.46 -2.24 -1.26 -4.93 114.28 107.79 3dl9 n THR 294 Ca 0.18 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 3dl9 n THR 294 Cb 0.19 0.98 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 3dl9 n THR 294 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3dl9 s PHE 295 N -2.81 3.54 0.17 4.78 0.40 -1.26 -4.89 117.98 117.91 3dl9 s PHE 295 Ca 0.12 1.63 -0.17 0.00 -0.60 0.00 0.00 56.93 57.92 3dl9 s PHE 295 Cb 0.17 -3.32 0.03 0.00 0.51 0.00 0.00 43.02 40.41 3dl9 s PHE 295 CO 0.74 -0.69 0.47 -1.54 0.70 0.00 0.00 175.22 174.90 3dl9 s SER 296 N -0.59 -0.25 0.30 1.36 1.04 -1.26 -4.94 113.70 109.37 3dl9 s SER 296 Ca 0.47 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.49 3dl9 s SER 296 Cb -0.32 0.54 0.59 0.00 0.10 0.00 0.00 66.02 66.93 3dl9 s SER 296 CO 0.40 -0.97 1.86 0.50 0.98 0.00 0.00 173.24 176.00 3dl9 h LYS 297 N 2.27 0.93 0.33 4.02 1.63 -1.99 0.23 116.57 123.98 3dl9 h LYS 297 Ca -0.31 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.42 3dl9 h LYS 297 Cb 1.26 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 3dl9 h LYS 297 CO 0.41 0.61 -0.16 0.93 -3.45 0.00 0.00 179.45 177.80 3dl9 h GLU 298 N 0.96 -0.43 0.00 1.90 5.08 -1.99 -2.51 114.58 117.59 3dl9 h GLU 298 Ca 0.46 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 3dl9 h GLU 298 Cb 0.46 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3dl9 h GLU 298 CO -0.22 -0.15 -0.07 -0.91 -1.00 0.00 0.00 179.01 176.65 3dl9 h ASN 299 N -0.66 0.00 -0.17 1.42 2.35 -1.84 -0.21 115.58 116.47 3dl9 h ASN 299 Ca -0.05 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3dl9 h ASN 299 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3dl9 h ASN 299 CO 0.07 0.07 -0.16 0.25 -1.65 0.00 0.00 177.43 176.01 3dl9 h LEU 300 N 0.00 0.43 -0.68 1.61 5.85 -0.90 -0.86 115.31 120.76 3dl9 h LEU 300 Ca -0.00 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 3dl9 h LEU 300 Cb 0.32 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3dl9 h LEU 300 CO 0.01 0.82 0.17 0.40 -0.34 0.00 0.00 178.44 179.50 3dl9 h ILE 301 N 0.05 1.26 -0.08 4.05 2.04 -0.84 -1.44 117.51 122.55 3dl9 h ILE 301 Ca 0.03 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3dl9 h ILE 301 Cb 0.70 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3dl9 h ILE 301 CO 0.04 0.36 -0.03 -0.26 0.00 0.00 0.00 178.15 178.27 3dl9 h PHE 302 N 1.02 0.18 -0.16 1.37 0.04 -1.10 -1.44 116.94 116.85 3dl9 h PHE 302 Ca 0.21 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.79 3dl9 h PHE 302 Cb 0.36 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3dl9 h PHE 302 CO 0.03 0.50 -0.56 0.66 -0.60 0.00 0.00 178.31 178.34 3dl9 h SER 303 N -0.19 0.54 -0.08 2.17 4.64 -1.15 -0.80 113.55 118.67 3dl9 h SER 303 Ca 0.02 -0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3dl9 h SER 303 Cb 0.44 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3dl9 h SER 303 CO 0.01 0.98 0.05 0.58 -0.87 0.00 0.00 176.83 177.58 3dl9 h VAL 304 N 0.37 1.06 -0.91 0.95 2.07 -1.27 -0.31 116.25 118.21 3dl9 h VAL 304 Ca 0.00 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3dl9 h VAL 304 Cb 1.09 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3dl9 h VAL 304 CO 0.10 0.05 0.60 1.23 0.02 0.00 0.00 177.57 179.58 3dl9 h GLY 305 N 0.07 1.28 0.92 2.17 0.00 -1.05 -0.51 103.07 105.95 3dl9 h GLY 305 Ca 0.03 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3dl9 h GLY 305 CO -0.01 0.46 0.13 0.83 0.00 0.00 0.00 176.54 177.95 3dl9 h GLU 306 N 1.22 0.51 -0.51 4.80 5.08 -0.94 -1.19 114.58 123.54 3dl9 h GLU 306 Ca 0.34 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3dl9 h GLU 306 Cb -0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 3dl9 h GLU 306 CO -0.08 0.51 0.28 -0.07 -1.00 0.00 0.00 179.01 178.65 3dl9 h LEU 307 N 0.40 0.64 0.34 1.33 3.38 -0.64 -0.68 115.31 120.08 3dl9 h LEU 307 Ca 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3dl9 h LEU 307 Cb 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3dl9 h LEU 307 CO -0.01 0.55 -0.16 0.40 0.09 0.00 0.00 178.44 179.31 3dl9 h ILE 308 N 0.69 0.68 -0.04 1.22 2.04 -0.93 -2.54 117.51 118.63 3dl9 h ILE 308 Ca 0.18 -0.07 -0.15 0.00 1.00 0.00 0.00 64.86 65.82 3dl9 h ILE 308 Cb 0.05 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3dl9 h ILE 308 CO -0.03 0.01 -0.65 -0.29 0.00 0.00 0.00 178.15 177.19 3dl9 h ILE 309 N -0.49 1.43 -0.57 -0.67 6.09 -1.19 -1.82 117.51 120.29 3dl9 h ILE 309 Ca -0.05 -2.14 -0.04 0.00 -1.37 0.00 0.00 64.86 61.26 3dl9 h ILE 309 Cb 0.37 2.13 -0.02 0.00 0.47 0.00 0.00 36.82 39.76 3dl9 h ILE 309 CO 0.08 0.62 0.18 0.00 -3.07 0.00 0.00 178.15 175.96 3dl9 h ALA 310 N 1.22 0.74 -0.20 0.18 0.00 -1.13 -1.44 119.26 118.63 3dl9 h ALA 310 Ca -0.01 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3dl9 h ALA 310 Cb 1.17 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dl9 h ALA 310 CO 0.10 0.40 -0.21 0.78 0.00 0.00 0.00 179.25 180.32 3dl9 h GLY 311 N 0.80 0.53 0.24 0.00 0.00 -1.37 -3.21 103.07 100.06 3dl9 h GLY 311 Ca 0.18 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3dl9 h GLY 311 CO -0.01 0.50 -0.00 -0.84 0.00 0.00 0.00 176.54 176.19 3dl9 h THR 312 N 0.16 1.59 -0.09 4.70 2.02 -1.29 -2.68 112.91 117.32 3dl9 h THR 312 Ca 0.03 -1.77 0.04 0.00 0.77 0.00 0.00 66.41 65.48 3dl9 h THR 312 Cb 0.75 2.80 -0.05 0.00 -1.74 0.00 0.00 68.15 69.91 3dl9 h THR 312 CO 0.05 0.46 -0.21 -0.33 0.37 0.00 0.00 175.52 175.86 3dl9 h GLU 313 N -0.76 -0.27 0.27 6.66 4.39 -1.43 -2.63 114.58 120.81 3dl9 h GLU 313 Ca -0.00 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3dl9 h GLU 313 Cb 0.75 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 3dl9 h GLU 313 CO 0.00 -0.18 -0.13 1.79 -1.16 0.00 0.00 179.01 179.33 3dl9 h THR 314 N -0.28 0.00 -0.64 1.13 1.35 -1.64 -2.89 112.91 109.93 3dl9 h THR 314 Ca 0.09 -0.45 0.08 0.00 -0.55 0.00 0.00 66.41 65.58 3dl9 h THR 314 Cb 0.41 0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 66.76 3dl9 h THR 314 CO -0.25 0.00 0.30 0.74 -0.25 0.00 0.00 175.52 176.06 3dl9 h THR 315 N -0.81 0.85 -0.57 6.82 2.02 -1.60 0.08 112.91 119.70 3dl9 h THR 315 Ca -0.04 -0.18 0.12 0.00 0.77 0.00 0.00 66.41 67.08 3dl9 h THR 315 Cb 0.28 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 66.86 3dl9 h THR 315 CO 0.06 0.10 -0.04 0.74 0.37 0.00 0.00 175.52 176.75 3dl9 h THR 316 N 0.53 0.51 -0.34 3.16 2.02 -1.57 -1.96 112.91 115.26 3dl9 h THR 316 Ca 0.31 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 67.31 3dl9 h THR 316 Cb 0.32 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3dl9 h THR 316 CO -0.26 0.01 -0.39 0.78 0.37 0.00 0.00 175.52 176.04 3dl9 h ASN 317 N 0.08 0.89 -0.52 4.18 2.35 -0.81 0.01 115.58 121.75 3dl9 h ASN 317 Ca 0.29 -0.40 0.10 0.00 -0.55 0.00 0.00 56.30 55.74 3dl9 h ASN 317 Cb 0.45 -0.25 -0.09 0.00 0.05 0.00 0.00 38.32 38.49 3dl9 h ASN 317 CO -0.51 1.17 -0.00 0.58 -1.65 0.00 0.00 177.43 177.01 3dl9 h VAL 318 N 0.68 0.59 -0.36 2.81 2.07 -0.69 0.17 116.25 121.52 3dl9 h VAL 318 Ca 0.06 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 3dl9 h VAL 318 Cb 0.96 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3dl9 h VAL 318 CO 0.09 0.02 -0.24 -0.07 0.02 0.00 0.00 177.57 177.40 3dl9 h LEU 319 N 0.12 0.73 -0.64 2.57 3.38 -0.94 -1.02 115.31 119.51 3dl9 h LEU 319 Ca 0.26 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3dl9 h LEU 319 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3dl9 h LEU 319 CO -0.44 0.94 -0.14 0.03 0.09 0.00 0.00 178.44 178.93 3dl9 h ARG 320 N 0.63 0.93 -0.44 1.13 3.08 -0.20 -0.43 114.38 119.07 3dl9 h ARG 320 Ca 0.09 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 3dl9 h ARG 320 Cb 0.73 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 3dl9 h ARG 320 CO 0.06 1.00 0.10 -1.49 -1.07 0.00 0.00 179.97 178.57 3dl9 h TRP 321 N 0.82 0.75 -0.16 3.04 4.06 -0.56 -2.14 115.95 121.76 3dl9 h TRP 321 Ca 0.13 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 3dl9 h TRP 321 Cb 0.68 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 3dl9 h TRP 321 CO 0.04 0.69 0.04 0.00 -3.56 0.00 0.00 178.44 175.66 3dl9 h ALA 322 N 0.96 0.21 -0.64 1.49 0.00 -0.86 -1.68 119.26 118.74 3dl9 h ALA 322 Ca 0.14 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3dl9 h ALA 322 Cb 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3dl9 h ALA 322 CO 0.00 -0.16 0.25 0.82 0.00 0.00 0.00 179.25 180.16 3dl9 h ILE 323 N 0.07 0.77 -0.13 0.00 2.04 -1.11 -0.14 117.51 119.01 3dl9 h ILE 323 Ca 0.05 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3dl9 h ILE 323 Cb 0.24 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3dl9 h ILE 323 CO -0.00 0.08 -0.10 0.25 0.00 0.00 0.00 178.15 178.38 3dl9 h LEU 324 N 0.44 -0.33 -1.12 1.44 5.85 -0.88 -1.48 115.31 119.24 3dl9 h LEU 324 Ca 0.32 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 59.02 3dl9 h LEU 324 Cb 0.40 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3dl9 h LEU 324 CO -0.31 -0.14 -0.42 -0.26 -0.34 0.00 0.00 178.44 176.98 3dl9 h PHE 325 N -0.12 0.00 -0.16 1.25 0.04 -0.89 -1.25 116.94 115.82 3dl9 h PHE 325 Ca 0.08 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.66 3dl9 h PHE 325 Cb 0.24 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 3dl9 h PHE 325 CO -0.23 0.42 -0.67 0.52 -0.60 0.00 0.00 178.31 177.75 3dl9 h MET 326 N 0.00 0.62 -0.16 1.51 2.86 -0.58 -0.88 114.93 118.30 3dl9 h MET 326 Ca -0.00 -0.46 -0.13 0.00 -2.06 0.00 0.00 59.70 57.05 3dl9 h MET 326 Cb 0.79 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3dl9 h MET 326 CO 0.05 1.08 -0.45 0.00 1.06 0.00 0.00 176.91 178.65 3dl9 h ALA 327 N 0.81 0.93 -0.09 6.32 0.00 -0.97 -3.18 119.26 123.08 3dl9 h ALA 327 Ca -0.02 -0.45 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 3dl9 h ALA 327 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3dl9 h ALA 327 CO 0.13 0.64 -0.76 1.25 0.00 0.00 0.00 179.25 180.51 3dl9 h LEU 328 N 0.33 0.58 -6.54 0.00 5.85 -1.13 -3.38 115.31 111.01 3dl9 h LEU 328 Ca 0.02 -0.39 -0.61 0.00 0.84 0.00 0.00 57.88 57.75 3dl9 h LEU 328 Cb 0.92 -0.17 -0.42 0.00 0.37 0.00 0.00 40.66 41.36 3dl9 h LEU 328 CO 0.08 1.14 -0.62 -1.22 -0.34 0.00 0.00 178.44 177.48 3dl9 n TYR 329 N -3.85 3.15 0.23 1.25 0.53 -0.34 -4.98 117.16 113.15 3dl9 n TYR 329 Ca -0.05 -4.16 0.16 0.00 -1.02 0.00 0.00 57.90 52.83 3dl9 n TYR 329 Cb 0.73 -0.55 0.85 0.00 -1.03 0.00 0.00 39.34 39.34 3dl9 n TYR 329 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 3dl9 h PRO 330 N 4.69 0.00 -0.04 -0.72 0.13 -1.73 -0.18 132.00 134.15 3dl9 h PRO 330 Ca 0.18 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.25 3dl9 h PRO 330 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 3dl9 h PRO 330 CO 0.76 0.00 -0.23 -0.91 -0.23 0.00 0.00 178.00 177.38 3dl9 h ASN 331 N 0.00 0.07 0.04 1.44 2.35 -1.94 0.16 115.58 117.69 3dl9 h ASN 331 Ca 0.06 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 3dl9 h ASN 331 Cb 0.35 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.71 3dl9 h ASN 331 CO -0.00 0.31 -0.45 0.40 -1.65 0.00 0.00 177.43 176.04 3dl9 h ILE 332 N 0.07 1.54 -0.45 2.81 2.04 -1.39 -2.48 117.51 119.64 3dl9 h ILE 332 Ca 0.01 -2.18 0.09 0.00 1.00 0.00 0.00 64.86 63.78 3dl9 h ILE 332 Cb 0.45 2.91 -0.08 0.00 -0.74 0.00 0.00 36.82 39.36 3dl9 h ILE 332 CO 0.03 0.61 -0.10 -0.61 0.00 0.00 0.00 178.15 178.08 3dl9 h GLN 333 N -0.43 0.01 -0.14 2.37 4.15 -1.25 -1.17 115.11 118.65 3dl9 h GLN 333 Ca -0.07 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.27 3dl9 h GLN 333 Cb 1.24 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3dl9 h GLN 333 CO 0.09 0.01 -0.29 0.78 -1.93 0.00 0.00 178.83 177.49 3dl9 h GLY 334 N 0.01 0.29 1.52 2.39 0.00 -0.76 -0.41 103.07 106.11 3dl9 h GLY 334 Ca 0.22 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3dl9 h GLY 334 CO -0.45 0.21 -0.40 -1.61 0.00 0.00 0.00 176.54 174.29 3dl9 h GLN 335 N 0.24 0.53 0.37 4.80 5.75 -0.92 0.20 115.11 126.08 3dl9 h GLN 335 Ca 0.03 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 3dl9 h GLN 335 Cb 0.64 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.19 3dl9 h GLN 335 CO 0.05 0.85 -0.18 0.28 -2.65 0.00 0.00 178.83 177.18 3dl9 h VAL 336 N 0.44 0.64 -0.96 2.39 2.07 -0.67 -2.69 116.25 117.48 3dl9 h VAL 336 Ca 0.04 -0.35 0.14 0.00 0.82 0.00 0.00 66.70 67.36 3dl9 h VAL 336 Cb 0.89 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 3dl9 h VAL 336 CO 0.08 0.07 0.61 1.56 0.02 0.00 0.00 177.57 179.90 3dl9 h GLN 337 N -0.69 0.80 -0.74 1.57 4.20 -0.96 -1.12 115.11 118.17 3dl9 h GLN 337 Ca -0.05 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.69 3dl9 h GLN 337 Cb 0.49 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 3dl9 h GLN 337 CO 0.08 0.53 0.41 -0.22 -0.67 0.00 0.00 178.83 178.96 3dl9 h LYS 338 N 0.83 0.69 -0.48 1.46 3.64 -0.51 -0.88 116.57 121.32 3dl9 h LYS 338 Ca 0.49 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.70 3dl9 h LYS 338 Cb 0.67 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3dl9 h LYS 338 CO -0.26 0.46 -0.24 1.49 -2.27 0.00 0.00 179.45 178.63 3dl9 h GLU 339 N 0.71 1.00 0.33 1.90 4.81 -0.90 -1.78 114.58 120.65 3dl9 h GLU 339 Ca 0.35 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3dl9 h GLU 339 Cb 0.29 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3dl9 h GLU 339 CO -0.23 1.12 -0.29 0.82 -0.73 0.00 0.00 179.01 179.70 3dl9 h ILE 340 N 0.86 0.39 -0.81 2.32 2.04 -0.87 -0.55 117.51 120.89 3dl9 h ILE 340 Ca 0.11 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.04 3dl9 h ILE 340 Cb 0.82 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3dl9 h ILE 340 CO 0.07 0.00 0.48 0.44 0.00 0.00 0.00 178.15 179.14 3dl9 h ASP 341 N -0.64 0.73 -0.12 1.72 3.32 -1.16 0.91 116.42 121.18 3dl9 h ASP 341 Ca -0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3dl9 h ASP 341 Cb 0.57 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 3dl9 h ASP 341 CO -0.03 0.45 0.06 0.25 -1.72 0.00 0.00 179.24 178.25 3dl9 h LEU 342 N 0.86 0.16 0.09 1.55 5.85 -1.06 -2.32 115.31 120.44 3dl9 h LEU 342 Ca 0.37 -0.13 -0.37 0.00 0.84 0.00 0.00 57.88 58.59 3dl9 h LEU 342 Cb 0.23 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3dl9 h LEU 342 CO -0.20 0.25 -2.11 -0.38 -0.34 0.00 0.00 178.44 175.66 3dl9 n ILE 343 N -4.92 1.71 0.79 4.05 2.08 -0.23 -4.33 119.36 118.50 3dl9 n ILE 343 Ca -0.05 -0.64 0.11 0.00 0.56 0.00 0.00 62.75 62.72 3dl9 n ILE 343 Cb 0.10 -1.63 -0.05 0.00 -0.75 0.00 0.00 39.64 37.31 3dl9 n ILE 343 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 3dl9 n MET 344 N -3.41 0.14 -0.78 0.38 2.81 0.31 -5.07 117.12 111.49 3dl9 n MET 344 Ca -0.35 -0.03 0.10 0.00 -1.81 0.00 0.00 57.70 55.61 3dl9 n MET 344 Cb 1.04 -1.52 -0.05 0.00 -0.71 0.00 0.00 33.22 31.98 3dl9 n MET 344 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dl9 n GLY 345 N 1.44 -2.89 0.00 3.03 0.00 -0.87 -2.72 105.19 103.18 3dl9 n GLY 345 Ca 0.03 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.90 3dl9 n GLY 345 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3dl9 n PRO 346 N -3.32 0.57 0.00 1.61 -0.02 -1.26 -3.89 135.00 128.68 3dl9 n PRO 346 Ca -0.05 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3dl9 n PRO 346 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3dl9 n PRO 346 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3dl9 n ASN 347 N -1.02 1.28 -4.78 2.55 0.23 -1.26 -4.92 115.26 107.34 3dl9 n ASN 347 Ca 0.14 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.84 3dl9 n ASN 347 Cb 0.07 0.19 -0.01 0.00 -2.08 0.00 0.00 39.78 37.96 3dl9 n ASN 347 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3dl9 s GLY 348 N -1.03 2.59 -0.08 4.83 0.00 -1.10 -5.00 107.32 107.53 3dl9 s GLY 348 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 44.72 45.19 3dl9 s GLY 348 CO 0.00 1.11 1.42 0.54 0.00 0.00 0.00 173.10 176.18 3dl9 s LYS 349 N -3.29 4.23 0.42 2.90 3.01 -1.26 -4.88 119.74 120.87 3dl9 s LYS 349 Ca 0.71 1.91 -0.24 0.00 -1.01 0.00 0.00 55.97 57.34 3dl9 s LYS 349 Cb -0.22 -3.78 -0.10 0.00 -1.01 0.00 0.00 37.83 32.72 3dl9 s LYS 349 CO 0.26 -0.71 1.01 -2.30 0.51 0.00 0.00 175.35 174.12 3dl9 n PRO 350 N 6.40 1.36 -4.01 -1.68 -0.02 -1.26 -5.02 135.00 130.76 3dl9 n PRO 350 Ca 0.15 0.49 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 3dl9 n PRO 350 Cb 0.44 -2.05 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 3dl9 n PRO 350 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3dl9 s SER 351 N -0.74 0.29 0.48 2.55 0.15 -1.26 -5.01 113.70 110.16 3dl9 s SER 351 Ca 0.63 -0.05 0.24 0.00 0.70 0.00 0.00 55.95 57.47 3dl9 s SER 351 Cb -0.55 -0.03 1.28 0.00 -1.71 0.00 0.00 66.02 65.00 3dl9 s SER 351 CO 0.57 0.03 1.91 -0.25 1.20 0.00 0.00 173.24 176.70 3dl9 h TRP 352 N 6.09 0.23 0.00 3.44 -0.00 -1.95 0.83 115.95 124.59 3dl9 h TRP 352 Ca -0.26 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.64 3dl9 h TRP 352 Cb 1.20 -0.07 0.00 0.00 -0.00 0.00 0.00 29.16 30.29 3dl9 h TRP 352 CO 0.41 0.07 0.00 -0.44 -0.00 0.00 0.00 178.44 178.48 3dl9 h ASP 353 N 0.18 0.00 1.06 2.65 3.45 -2.01 -2.18 116.42 119.58 3dl9 h ASP 353 Ca 0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.85 3dl9 h ASP 353 Cb 1.26 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.03 3dl9 h ASP 353 CO -0.07 0.00 0.00 0.47 -1.57 0.00 0.00 179.24 178.07 3dl9 n ASP 354 N -2.78 0.75 -0.26 6.45 8.00 0.29 -4.23 116.55 124.76 3dl9 n ASP 354 Ca 0.01 0.63 0.06 0.00 0.71 0.00 0.00 54.79 56.20 3dl9 n ASP 354 Cb 0.25 -0.81 0.20 0.00 -0.02 0.00 0.00 41.12 40.74 3dl9 n ASP 354 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3dl9 h LYS 355 N 0.00 0.39 0.00 -1.24 3.64 -1.50 -1.32 116.57 116.54 3dl9 h LYS 355 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3dl9 h LYS 355 Cb 0.53 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3dl9 h LYS 355 CO 0.00 0.26 -0.06 0.00 -2.27 0.00 0.00 179.45 177.38 3dl9 n LYS 357 N -1.80 1.54 -3.14 0.00 5.02 -0.51 -4.63 118.16 114.64 3dl9 n LYS 357 Ca 0.06 -0.81 -0.19 0.00 -2.02 0.00 0.00 58.31 55.35 3dl9 n LYS 357 Cb 0.38 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3dl9 n LYS 357 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3dl9 n MET 358 N 0.06 1.33 0.20 1.97 2.81 -0.83 -4.94 117.12 117.73 3dl9 n MET 358 Ca 0.14 -3.61 0.05 0.00 -1.81 0.00 0.00 57.70 52.47 3dl9 n MET 358 Cb 0.25 -1.78 0.44 0.00 -0.71 0.00 0.00 33.22 31.41 3dl9 n MET 358 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3dl9 h PRO 359 N 3.00 0.00 -0.19 0.03 0.13 -1.82 -2.29 132.00 130.86 3dl9 h PRO 359 Ca 0.10 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.07 3dl9 h PRO 359 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 3dl9 h PRO 359 CO 0.55 0.31 -0.55 -0.92 -0.23 0.00 0.00 178.00 177.15 3dl9 h TYR 360 N 0.00 0.72 -0.17 1.56 3.20 -1.93 0.33 116.97 120.68 3dl9 h TYR 360 Ca -0.00 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 3dl9 h TYR 360 Cb 0.59 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3dl9 h TYR 360 CO 0.00 0.99 0.04 1.15 -1.64 0.00 0.00 178.16 178.70 3dl9 h THR 361 N 0.44 1.21 -0.41 1.81 2.02 -1.82 -1.25 112.91 114.90 3dl9 h THR 361 Ca 0.01 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 3dl9 h THR 361 Cb 1.10 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 3dl9 h THR 361 CO 0.11 0.20 0.22 -0.08 0.37 0.00 0.00 175.52 176.34 3dl9 h GLU 362 N 0.08 0.55 -0.28 6.66 4.81 -1.35 -2.48 114.58 122.57 3dl9 h GLU 362 Ca 0.05 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3dl9 h GLU 362 Cb 0.27 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3dl9 h GLU 362 CO 0.00 0.41 0.01 0.00 -0.73 0.00 0.00 179.01 178.70 3dl9 h ALA 363 N 1.69 0.38 -0.47 2.92 0.00 -0.54 -1.55 119.26 121.69 3dl9 h ALA 363 Ca 0.15 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dl9 h ALA 363 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dl9 h ALA 363 CO -0.02 0.11 0.31 0.28 0.00 0.00 0.00 179.25 179.92 3dl9 h VAL 364 N 0.29 1.11 -0.45 0.00 2.07 -0.95 -1.15 116.25 117.17 3dl9 h VAL 364 Ca 0.08 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 3dl9 h VAL 364 Cb 0.40 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3dl9 h VAL 364 CO 0.01 0.11 -0.07 -0.07 0.02 0.00 0.00 177.57 177.57 3dl9 h LEU 365 N 0.63 0.84 -1.40 2.57 3.38 -1.36 -0.61 115.31 119.36 3dl9 h LEU 365 Ca 0.17 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3dl9 h LEU 365 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3dl9 h LEU 365 CO -0.04 0.99 -0.15 0.45 0.09 0.00 0.00 178.44 179.78 3dl9 h HIS 366 N 0.68 0.22 0.00 1.13 3.86 -1.10 -2.64 115.15 117.31 3dl9 h HIS 366 Ca 0.12 -0.03 -0.18 0.00 -1.16 0.00 0.00 60.37 59.13 3dl9 h HIS 366 Cb 0.60 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 3dl9 h HIS 366 CO 0.05 0.36 -0.82 1.49 0.86 0.00 0.00 177.93 179.86 3dl9 h GLU 367 N 0.20 0.05 -0.69 2.45 4.57 -0.65 -1.21 114.58 119.31 3dl9 h GLU 367 Ca 0.04 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3dl9 h GLU 367 Cb 0.39 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 3dl9 h GLU 367 CO 0.02 0.84 0.39 0.28 -1.18 0.00 0.00 179.01 179.36 3dl9 h VAL 368 N 0.03 1.21 -0.01 0.32 2.07 -0.98 0.28 116.25 119.18 3dl9 h VAL 368 Ca -0.02 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3dl9 h VAL 368 Cb 1.45 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3dl9 h VAL 368 CO 0.11 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.86 3dl9 h LEU 369 N 0.94 0.01 -0.59 2.57 3.38 -1.20 -0.05 115.31 120.37 3dl9 h LEU 369 Ca 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3dl9 h LEU 369 Cb 0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3dl9 h LEU 369 CO -0.04 0.22 0.27 -0.09 0.09 0.00 0.00 178.44 178.88 3dl9 h ARG 370 N -0.20 0.86 0.08 1.13 2.43 -1.23 -2.48 114.38 114.98 3dl9 h ARG 370 Ca 0.00 -0.14 -0.14 0.00 -0.81 0.00 0.00 59.98 58.89 3dl9 h ARG 370 Cb 0.21 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3dl9 h ARG 370 CO -0.00 0.71 -0.66 0.35 -1.51 0.00 0.00 179.97 178.86 3dl9 h PHE 371 N 0.81 0.30 0.00 2.20 3.57 -0.87 -3.38 116.94 119.58 3dl9 h PHE 371 Ca 0.20 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 3dl9 h PHE 371 Cb 0.15 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 3dl9 h PHE 371 CO 0.00 1.26 -0.70 0.00 -2.23 0.00 0.00 178.31 176.64 3dl9 n ASN 373 N -2.81 -6.60 -0.12 0.00 3.02 -0.93 -4.86 115.26 102.96 3dl9 n ASN 373 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 3dl9 n ASN 373 Cb 0.55 -3.48 -0.03 0.00 -0.61 0.00 0.00 39.78 36.22 3dl9 n ASN 373 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dl9 h ILE 374 N 1.55 1.28 -3.39 2.41 5.03 -1.84 -3.22 117.51 119.33 3dl9 h ILE 374 Ca -0.30 -1.50 -0.70 0.00 -0.12 0.00 0.00 64.86 62.23 3dl9 h ILE 374 Cb 1.21 1.40 -0.35 0.00 -3.03 0.00 0.00 36.82 36.05 3dl9 h ILE 374 CO 0.25 0.50 -0.16 -0.69 -0.68 0.00 0.00 178.15 177.36 3dl9 s VAL 375 N -4.43 4.22 0.21 1.67 1.01 -1.26 0.05 120.40 121.87 3dl9 s VAL 375 Ca -0.11 -3.61 -0.08 0.00 0.00 0.00 0.00 61.98 58.17 3dl9 s VAL 375 Cb 0.11 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.97 3dl9 s VAL 375 CO 0.87 -1.03 1.74 1.55 0.00 0.00 0.00 175.10 178.22 3dl9 h PRO 376 N 6.30 1.15 -0.29 2.72 0.13 -1.75 -3.02 132.00 137.24 3dl9 h PRO 376 Ca 0.12 -0.26 -0.07 0.00 -0.87 0.00 0.00 66.00 64.92 3dl9 h PRO 376 Cb 0.85 -0.16 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 3dl9 h PRO 376 CO 0.81 0.99 -0.01 1.28 -0.23 0.00 0.00 178.00 180.84 3dl9 n LEU 377 N -4.24 3.93 0.00 1.56 4.77 -1.26 -1.28 117.00 120.48 3dl9 n LEU 377 Ca 0.06 -3.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.75 3dl9 n LEU 377 Cb 0.24 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3dl9 n LEU 377 CO 0.42 0.87 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 3dl9 n GLY 378 N -0.79 1.15 3.54 -0.72 0.00 -1.14 -4.13 105.19 103.10 3dl9 n GLY 378 Ca 0.26 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 3dl9 n GLY 378 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dl9 s ILE 379 N 0.00 3.48 0.37 -0.61 1.01 -1.26 -5.01 121.20 119.18 3dl9 s ILE 379 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.81 3dl9 s ILE 379 Cb 0.00 -2.41 -0.10 0.00 0.01 0.00 0.00 42.46 39.96 3dl9 s ILE 379 CO 0.00 0.59 1.38 -0.36 0.00 0.00 0.00 174.94 176.55 3dl9 s PHE 380 N -0.75 2.80 0.57 3.97 2.99 -1.26 -4.77 117.98 121.53 3dl9 s PHE 380 Ca 0.11 1.31 0.08 0.00 0.00 0.00 0.00 56.93 58.44 3dl9 s PHE 380 Cb -0.11 -3.82 0.08 0.00 0.00 0.00 0.00 43.02 39.17 3dl9 s PHE 380 CO 0.01 -2.38 0.70 0.72 -0.00 0.00 0.00 175.22 174.27 3dl9 n HIS 381 N 0.49 -1.84 -3.68 0.36 8.25 0.30 -4.54 115.22 114.56 3dl9 n HIS 381 Ca 0.01 -2.17 -0.11 0.00 -0.26 0.00 0.00 57.72 55.19 3dl9 n HIS 381 Cb 0.41 -0.52 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 3dl9 n HIS 381 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dl9 s ALA 382 N -2.72 -0.82 -0.13 -1.41 0.00 0.82 -0.72 121.76 116.78 3dl9 s ALA 382 Ca 0.53 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.16 3dl9 s ALA 382 Cb -0.04 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 3dl9 s ALA 382 CO 0.34 -0.57 0.90 0.95 0.00 0.00 0.00 175.76 177.37 3dl9 s THR 383 N -3.46 4.86 -0.44 0.00 -4.23 -1.11 -2.39 115.64 108.86 3dl9 s THR 383 Ca 0.01 1.80 0.26 0.00 -1.18 0.00 0.00 61.69 62.59 3dl9 s THR 383 Cb 0.02 -4.21 0.31 0.00 1.34 0.00 0.00 72.50 69.96 3dl9 s THR 383 CO -0.09 0.04 1.76 0.77 -0.54 0.00 0.00 174.62 176.56 3dl9 h SER 384 N 7.16 0.00 -5.36 3.99 4.64 -0.75 0.16 113.55 123.38 3dl9 h SER 384 Ca -0.32 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.87 3dl9 h SER 384 Cb 1.15 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.14 3dl9 h SER 384 CO 0.83 0.00 -0.21 -1.83 -0.87 0.00 0.00 176.83 174.76 3dl9 s GLU 385 N -3.29 1.60 0.12 4.77 -1.05 -1.26 -4.85 118.70 114.74 3dl9 s GLU 385 Ca 0.06 -1.44 -0.34 0.00 -0.15 0.00 0.00 54.97 53.10 3dl9 s GLU 385 Cb 0.09 0.44 -0.13 0.00 -0.44 0.00 0.00 34.13 34.08 3dl9 s GLU 385 CO 0.55 -0.65 1.63 -0.25 0.95 0.00 0.00 175.26 177.50 3dl9 n ASP 386 N -0.64 3.16 -4.38 0.83 8.00 -1.26 -3.73 116.55 118.53 3dl9 n ASP 386 Ca -0.01 1.06 -0.25 0.00 0.71 0.00 0.00 54.79 56.31 3dl9 n ASP 386 Cb 0.62 -1.42 -0.12 0.00 -0.02 0.00 0.00 41.12 40.19 3dl9 n ASP 386 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dl9 s ALA 387 N 1.46 2.27 -0.10 2.24 0.00 0.80 -4.87 121.76 123.56 3dl9 s ALA 387 Ca 0.81 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 51.24 3dl9 s ALA 387 Cb -0.68 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.18 3dl9 s ALA 387 CO 0.40 0.37 -0.10 0.08 0.00 0.00 0.00 175.76 176.52 3dl9 s VAL 388 N -1.67 1.09 -0.05 0.00 1.01 -1.26 0.13 120.40 119.65 3dl9 s VAL 388 Ca 0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 3dl9 s VAL 388 Cb -0.08 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.27 3dl9 s VAL 388 CO 0.08 0.37 -0.00 0.54 0.00 0.00 0.00 175.10 176.08 3dl9 s VAL 389 N 1.29 0.31 -1.49 2.92 0.11 -0.18 -4.83 120.40 118.53 3dl9 s VAL 389 Ca -0.03 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 3dl9 s VAL 389 Cb -0.14 -0.44 0.07 0.00 -1.53 0.00 0.00 36.38 34.35 3dl9 s VAL 389 CO -0.04 0.22 0.88 0.54 -3.33 0.00 0.00 175.10 173.37 3dl9 n ARG 390 N 4.68 -5.33 0.00 1.54 1.74 -1.26 -1.44 116.66 116.60 3dl9 n ARG 390 Ca -0.15 0.63 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3dl9 n ARG 390 Cb 0.50 -5.51 0.00 0.00 -1.02 0.00 0.00 32.46 26.43 3dl9 n ARG 390 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dl9 n GLY 391 N -1.62 3.12 3.85 -0.13 0.00 -1.26 -5.02 105.19 104.12 3dl9 n GLY 391 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3dl9 n GLY 391 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dl9 s TYR 392 N -1.84 3.47 -0.08 1.61 4.12 -0.52 -4.53 117.35 119.58 3dl9 s TYR 392 Ca 0.00 1.17 -0.11 0.00 0.02 0.00 0.00 57.07 58.15 3dl9 s TYR 392 Cb 0.00 -2.48 -0.05 0.00 -1.52 0.00 0.00 41.96 37.91 3dl9 s TYR 392 CO 0.00 0.22 0.27 0.45 0.02 0.00 0.00 175.55 176.51 3dl9 s SER 393 N -2.08 6.57 -0.28 2.29 0.15 0.10 -1.01 113.70 119.44 3dl9 s SER 393 Ca 0.48 0.67 -0.00 0.00 0.70 0.00 0.00 55.95 57.80 3dl9 s SER 393 Cb -0.12 -2.16 0.08 0.00 -1.71 0.00 0.00 66.02 62.11 3dl9 s SER 393 CO 0.19 0.33 0.05 -0.63 1.20 0.00 0.00 173.24 174.38 3dl9 s ILE 394 N -0.83 1.07 0.44 6.45 1.01 0.12 -4.23 121.20 125.24 3dl9 s ILE 394 Ca 0.19 -1.29 -0.25 0.00 0.00 0.00 0.00 60.65 59.30 3dl9 s ILE 394 Cb -0.14 -1.67 -0.08 0.00 0.01 0.00 0.00 42.46 40.58 3dl9 s ILE 394 CO 0.08 -0.47 1.30 -2.84 0.00 0.00 0.00 174.94 173.01 3dl9 s PRO 395 N 1.55 3.78 0.03 2.79 0.02 -1.26 -0.14 135.00 141.76 3dl9 s PRO 395 Ca 0.05 2.14 -0.32 0.00 0.02 0.00 0.00 61.00 62.89 3dl9 s PRO 395 Cb -0.18 -2.62 -0.16 0.00 0.02 0.00 0.00 34.50 31.56 3dl9 s PRO 395 CO -0.17 -0.64 0.81 1.17 -0.33 0.00 0.00 177.00 177.85 3dl9 n LYS 396 N -0.18 0.00 0.00 5.54 4.81 -1.24 -1.97 118.16 125.12 3dl9 n LYS 396 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3dl9 n LYS 396 Cb 0.44 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 34.31 3dl9 n LYS 396 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dl9 n GLY 397 N 1.31 1.76 3.66 3.14 0.00 0.55 -4.93 105.19 110.69 3dl9 n GLY 397 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 3dl9 n GLY 397 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dl9 n THR 398 N -2.00 1.30 -2.16 2.61 -1.04 -0.83 -4.65 114.28 107.50 3dl9 n THR 398 Ca 0.00 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.05 61.27 3dl9 n THR 398 Cb 0.00 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.12 3dl9 n THR 398 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3dl9 s THR 399 N -0.42 2.99 -0.21 12.58 2.01 -1.16 -2.76 115.64 128.67 3dl9 s THR 399 Ca 0.65 0.85 0.00 0.00 0.31 0.00 0.00 61.69 63.50 3dl9 s THR 399 Cb -0.66 -3.54 0.05 0.00 0.01 0.00 0.00 72.50 68.35 3dl9 s THR 399 CO 0.54 0.15 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.85 3dl9 s VAL 400 N -0.19 1.48 -0.29 3.82 1.01 0.10 -1.24 120.40 125.08 3dl9 s VAL 400 Ca 0.55 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 3dl9 s VAL 400 Cb -0.38 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3dl9 s VAL 400 CO 0.42 0.05 0.46 -0.63 0.00 0.00 0.00 175.10 175.41 3dl9 s ILE 401 N 1.45 5.09 -0.46 2.22 1.01 -0.48 -0.54 121.20 129.49 3dl9 s ILE 401 Ca -0.03 0.62 -0.22 0.00 0.00 0.00 0.00 60.65 61.02 3dl9 s ILE 401 Cb -0.17 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.51 3dl9 s ILE 401 CO -0.07 0.03 0.75 0.42 0.00 0.00 0.00 174.94 176.06 3dl9 s THR 402 N 2.24 4.69 -1.12 2.92 -4.23 -1.26 -0.23 115.64 118.66 3dl9 s THR 402 Ca 0.18 0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.75 3dl9 s THR 402 Cb -0.16 -4.31 0.11 0.00 1.34 0.00 0.00 72.50 69.48 3dl9 s THR 402 CO 0.11 -0.74 1.44 0.21 -0.54 0.00 0.00 174.62 175.10 3dl9 s ASN 403 N 2.22 6.77 0.31 3.99 3.84 -0.71 -3.48 114.94 127.88 3dl9 s ASN 403 Ca 0.26 -2.26 0.02 0.00 0.21 0.00 0.00 52.86 51.10 3dl9 s ASN 403 Cb -0.13 -2.49 0.52 0.00 -0.55 0.00 0.00 41.25 38.60 3dl9 s ASN 403 CO 0.20 -1.11 1.87 -0.07 -2.79 0.00 0.00 177.10 175.20 3dl9 h LEU 404 N 11.34 0.63 -0.54 3.21 3.38 -1.48 -2.42 115.31 129.41 3dl9 h LEU 404 Ca 0.28 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.25 3dl9 h LEU 404 Cb 0.94 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.42 3dl9 h LEU 404 CO 1.31 0.64 -0.30 0.22 0.09 0.00 0.00 178.44 180.40 3dl9 h TYR 405 N 0.65 -0.81 0.00 1.13 3.20 -1.56 -1.70 116.97 117.89 3dl9 h TYR 405 Ca 0.15 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3dl9 h TYR 405 Cb 0.28 0.44 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3dl9 h TYR 405 CO 0.01 -0.36 -0.06 0.66 -1.64 0.00 0.00 178.16 176.77 3dl9 h SER 406 N -0.16 0.00 -0.17 -2.11 4.64 -1.74 -0.37 113.55 113.65 3dl9 h SER 406 Ca 0.23 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 3dl9 h SER 406 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3dl9 h SER 406 CO -0.63 0.06 -0.41 0.58 -0.87 0.00 0.00 176.83 175.55 3dl9 h VAL 407 N 0.00 1.34 0.00 0.95 2.07 -1.21 -2.14 116.25 117.27 3dl9 h VAL 407 Ca -0.00 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.85 3dl9 h VAL 407 Cb 0.23 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3dl9 h VAL 407 CO 0.01 0.51 0.00 0.45 0.02 0.00 0.00 177.57 178.56 3dl9 h HIS 408 N 0.22 0.00 -0.21 1.57 -0.00 -0.51 -2.16 115.15 114.06 3dl9 h HIS 408 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3dl9 h HIS 408 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 3dl9 h HIS 408 CO 0.10 0.00 0.00 1.19 -0.00 0.00 0.00 177.93 179.22 3dl9 n PHE 409 N -2.76 0.70 -2.27 2.45 3.01 -0.26 -4.88 117.46 113.46 3dl9 n PHE 409 Ca 0.01 -0.86 -0.43 0.00 1.01 0.00 0.00 57.45 57.19 3dl9 n PHE 409 Cb 0.30 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 3dl9 n PHE 409 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3dl9 s ASP 410 N -2.00 6.29 0.09 4.37 -1.08 -0.81 -4.86 116.67 118.68 3dl9 s ASP 410 Ca 0.38 1.04 0.19 0.00 -0.52 0.00 0.00 52.55 53.64 3dl9 s ASP 410 Cb 0.30 -2.54 0.80 0.00 -1.46 0.00 0.00 42.92 40.03 3dl9 s ASP 410 CO 0.08 -1.43 1.60 -0.62 0.52 0.00 0.00 175.17 175.32 3dl9 n GLU 411 N 8.02 0.07 0.12 4.34 1.02 -1.26 -1.04 120.64 131.91 3dl9 n GLU 411 Ca 0.18 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 3dl9 n GLU 411 Cb 0.47 -1.63 0.29 0.00 -0.02 0.00 0.00 31.44 30.55 3dl9 n GLU 411 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3dl9 h LYS 412 N 0.00 0.19 0.00 3.49 3.64 -1.98 -3.34 116.57 118.57 3dl9 h LYS 412 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3dl9 h LYS 412 Cb 0.34 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3dl9 h LYS 412 CO 0.00 0.50 -0.40 0.66 -2.27 0.00 0.00 179.45 177.95 3dl9 n TYR 413 N -4.10 0.00 -4.56 1.91 4.02 -0.38 -5.00 117.16 109.05 3dl9 n TYR 413 Ca -0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.66 3dl9 n TYR 413 Cb 0.41 -0.01 -0.15 0.00 -0.02 0.00 0.00 39.34 39.56 3dl9 n TYR 413 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3dl9 s TRP 414 N -1.71 1.19 -0.21 -0.72 0.52 -0.21 -5.01 118.94 112.79 3dl9 s TRP 414 Ca 0.02 -0.28 -0.19 0.00 0.02 0.00 0.00 56.10 55.67 3dl9 s TRP 414 Cb 0.05 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.54 3dl9 s TRP 414 CO 0.28 -0.08 0.54 0.50 0.02 0.00 0.00 176.95 178.21 3dl9 s ARG 415 N -0.03 4.18 -1.23 4.98 3.00 -1.26 -4.37 118.95 124.22 3dl9 s ARG 415 Ca -0.00 0.44 -0.09 0.00 -1.00 0.00 0.00 55.73 55.08 3dl9 s ARG 415 Cb -0.08 -3.58 -0.01 0.00 0.00 0.00 0.00 34.95 31.29 3dl9 s ARG 415 CO 0.00 -0.19 0.70 -0.25 0.00 0.00 0.00 175.30 175.56 3dl9 n ASP 416 N 4.93 -3.18 0.32 -2.12 9.92 -1.26 -4.84 116.55 120.32 3dl9 n ASP 416 Ca -0.04 -0.94 0.18 0.00 -0.53 0.00 0.00 54.79 53.46 3dl9 n ASP 416 Cb 0.50 -3.64 0.95 0.00 -0.64 0.00 0.00 41.12 38.29 3dl9 n ASP 416 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3dl9 h PRO 417 N -1.81 0.00 0.00 -0.24 0.13 -1.90 -1.58 132.00 126.60 3dl9 h PRO 417 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3dl9 h PRO 417 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 3dl9 h PRO 417 CO 0.53 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.45 3dl9 n GLU 418 N -3.04 0.61 -4.23 0.86 0.00 -1.26 -4.75 120.64 108.83 3dl9 n GLU 418 Ca -0.02 0.02 -0.34 0.00 0.00 0.00 0.00 57.16 56.82 3dl9 n GLU 418 Cb 0.28 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.11 3dl9 n GLU 418 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3dl9 s VAL 419 N -2.32 4.30 -0.18 3.84 1.01 -0.60 -5.07 120.40 121.38 3dl9 s VAL 419 Ca 0.33 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.81 3dl9 s VAL 419 Cb 0.19 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3dl9 s VAL 419 CO 0.38 0.48 1.33 0.12 0.00 0.00 0.00 175.10 177.41 3dl9 s PHE 420 N 0.33 2.69 -0.47 5.22 5.36 -1.26 -4.94 117.98 124.90 3dl9 s PHE 420 Ca -0.01 0.87 0.06 0.00 -0.96 0.00 0.00 56.93 56.90 3dl9 s PHE 420 Cb -0.13 -3.64 0.19 0.00 -0.34 0.00 0.00 43.02 39.10 3dl9 s PHE 420 CO 0.02 -2.01 0.73 -1.58 -1.46 0.00 0.00 175.22 170.92 3dl9 s HIS 421 N 3.78 -1.55 0.37 10.12 2.46 -1.26 -5.02 115.29 124.19 3dl9 s HIS 421 Ca 0.58 -0.28 0.18 0.00 0.47 0.00 0.00 55.06 56.01 3dl9 s HIS 421 Cb -0.22 0.30 1.11 0.00 -0.13 0.00 0.00 32.58 33.64 3dl9 s HIS 421 CO 0.18 -1.17 1.71 -1.35 -2.47 0.00 0.00 174.74 171.64 3dl9 h PRO 422 N 5.58 0.35 -0.50 2.88 0.11 -1.92 -1.67 132.00 136.83 3dl9 h PRO 422 Ca 0.05 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.28 3dl9 h PRO 422 Cb 1.14 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3dl9 h PRO 422 CO 0.03 0.23 0.59 1.49 -0.21 0.00 0.00 178.00 180.13 3dl9 h GLU 423 N 0.36 0.00 0.00 1.05 4.57 -1.95 -0.65 114.58 117.96 3dl9 h GLU 423 Ca 0.68 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.86 3dl9 h GLU 423 Cb 1.68 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.27 3dl9 h GLU 423 CO -0.44 0.00 -0.00 0.07 -1.18 0.00 0.00 179.01 177.46 3dl9 h ARG 424 N 0.00 0.00 -0.02 1.92 0.11 -1.71 -1.41 114.38 113.27 3dl9 h ARG 424 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 3dl9 h ARG 424 Cb 1.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.50 3dl9 h ARG 424 CO -0.00 0.00 -0.04 1.19 0.10 0.00 0.00 179.97 181.22 3dl9 n PHE 425 N -3.45 0.00 -3.72 4.08 3.01 -0.25 -4.88 117.46 112.25 3dl9 n PHE 425 Ca -0.03 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.06 3dl9 n PHE 425 Cb 0.09 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.48 3dl9 n PHE 425 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dl9 s LEU 426 N -2.07 4.41 0.75 4.37 1.43 -0.53 -0.06 118.68 126.97 3dl9 s LEU 426 Ca 0.34 0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 54.06 3dl9 s LEU 426 Cb 0.21 -2.41 0.13 0.00 0.03 0.00 0.00 46.19 44.15 3dl9 s LEU 426 CO 0.36 0.34 1.03 1.51 0.23 0.00 0.00 176.35 179.82 3dl9 s ASP 427 N -1.24 4.25 0.17 2.29 1.47 0.01 -4.89 116.67 118.73 3dl9 s ASP 427 Ca 0.21 -0.18 0.14 0.00 1.18 0.00 0.00 52.55 53.91 3dl9 s ASP 427 Cb -0.14 -0.20 0.71 0.00 -0.34 0.00 0.00 42.92 42.95 3dl9 s ASP 427 CO 0.10 -1.93 1.44 -1.54 0.68 0.00 0.00 175.17 173.93 3dl9 n SER 428 N -2.95 0.33 -1.06 2.11 3.41 -1.26 -0.62 113.62 113.58 3dl9 n SER 428 Ca 0.14 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 3dl9 n SER 428 Cb 0.60 -0.68 0.17 0.00 -0.26 0.00 0.00 64.21 64.04 3dl9 n SER 428 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3dl9 n SER 429 N -1.92 3.26 0.00 4.04 7.64 -1.26 -4.97 113.62 120.41 3dl9 n SER 429 Ca 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.91 3dl9 n SER 429 Cb 0.08 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3dl9 n SER 429 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dl9 n GLY 430 N 1.40 0.73 3.91 0.23 0.00 0.21 -5.07 105.19 106.61 3dl9 n GLY 430 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3dl9 n GLY 430 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dl9 s TYR 431 N -2.27 3.50 0.27 1.61 1.51 -1.26 -4.72 117.35 116.00 3dl9 s TYR 431 Ca 0.00 0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 56.02 3dl9 s TYR 431 Cb 0.00 -1.76 -0.11 0.00 -0.11 0.00 0.00 41.96 39.97 3dl9 s TYR 431 CO 0.00 0.60 1.60 0.12 -1.11 0.00 0.00 175.55 176.76 3dl9 s PHE 432 N -1.46 2.81 -0.22 2.71 5.36 -1.26 -0.81 117.98 125.10 3dl9 s PHE 432 Ca 0.33 0.72 0.01 0.00 -0.96 0.00 0.00 56.93 57.04 3dl9 s PHE 432 Cb -0.13 -4.06 0.05 0.00 -0.34 0.00 0.00 43.02 38.54 3dl9 s PHE 432 CO 0.26 -3.64 -0.11 0.00 -1.46 0.00 0.00 175.22 170.26 3dl9 s ALA 433 N 0.23 2.20 0.17 11.12 0.00 0.91 -4.86 121.76 131.54 3dl9 s ALA 433 Ca 0.65 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 3dl9 s ALA 433 Cb -0.48 -1.36 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 3dl9 s ALA 433 CO 0.44 -0.88 1.01 -1.59 0.00 0.00 0.00 175.76 174.74 3dl9 s LYS 434 N 1.30 4.71 -0.14 0.00 -2.85 -1.26 -4.84 119.74 116.66 3dl9 s LYS 434 Ca -0.03 1.56 -0.02 0.00 -1.00 0.00 0.00 55.97 56.48 3dl9 s LYS 434 Cb -0.17 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.27 3dl9 s LYS 434 CO -0.08 0.25 -0.08 0.15 0.10 0.00 0.00 175.35 175.70 3dl9 s LYS 435 N -0.51 3.50 0.28 1.78 -0.14 -1.26 -5.03 119.74 118.37 3dl9 s LYS 435 Ca 0.46 -0.59 0.01 0.00 -1.36 0.00 0.00 55.97 54.49 3dl9 s LYS 435 Cb -0.26 -2.78 0.42 0.00 -1.68 0.00 0.00 37.83 33.52 3dl9 s LYS 435 CO 0.33 0.26 1.77 0.93 -0.76 0.00 0.00 175.35 177.88 3dl9 h GLU 436 N 6.60 0.65 -0.62 1.68 4.39 -1.99 -3.06 114.58 122.22 3dl9 h GLU 436 Ca -0.30 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3dl9 h GLU 436 Cb 1.20 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3dl9 h GLU 436 CO 0.59 0.72 0.00 0.00 -1.16 0.00 0.00 179.01 179.16 3dl9 n ALA 437 N -2.48 2.46 -2.99 3.43 0.00 -1.26 -4.56 120.51 115.11 3dl9 n ALA 437 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 3dl9 n ALA 437 Cb 0.32 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 3dl9 n ALA 437 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dl9 s LEU 438 N -0.36 4.02 -0.34 0.00 2.96 -1.16 -4.34 118.68 119.46 3dl9 s LEU 438 Ca 0.00 -0.61 0.16 0.00 -0.22 0.00 0.00 54.13 53.46 3dl9 s LEU 438 Cb 0.00 -1.95 0.43 0.00 0.50 0.00 0.00 46.19 45.16 3dl9 s LEU 438 CO 0.00 -0.20 0.90 1.33 -1.32 0.00 0.00 176.35 177.06 3dl9 n VAL 439 N 4.94 0.63 0.47 1.68 0.24 -1.26 -4.94 118.33 120.08 3dl9 n VAL 439 Ca -0.14 -3.42 0.10 0.00 -2.04 0.00 0.00 64.34 58.84 3dl9 n VAL 439 Cb 0.49 0.43 0.42 0.00 -1.47 0.00 0.00 33.84 33.70 3dl9 n VAL 439 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3dl9 n PRO 440 N 0.02 0.11 -0.58 7.34 -0.04 -1.26 -0.94 135.00 139.65 3dl9 n PRO 440 Ca 0.13 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 64.00 3dl9 n PRO 440 Cb 0.77 -1.70 0.31 0.00 -0.04 0.00 0.00 33.50 32.84 3dl9 n PRO 440 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dl9 n PHE 441 N -1.90 1.33 -3.84 0.54 3.01 -1.26 -4.78 117.46 110.56 3dl9 n PHE 441 Ca 0.03 -0.74 0.05 0.00 1.01 0.00 0.00 57.45 57.80 3dl9 n PHE 441 Cb 0.22 -0.32 -0.01 0.00 -0.01 0.00 0.00 39.48 39.35 3dl9 n PHE 441 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3dl9 n SER 442 N 0.27 -6.02 -4.25 4.37 2.88 -0.12 -1.19 113.62 109.56 3dl9 n SER 442 Ca 0.23 0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 58.03 3dl9 n SER 442 Cb 0.93 -1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 63.14 3dl9 n SER 442 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3dl9 s LEU 443 N 0.00 1.46 0.00 2.46 1.43 -1.26 -4.73 118.68 118.03 3dl9 s LEU 443 Ca 0.00 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 3dl9 s LEU 443 Cb 0.00 0.17 0.00 0.00 0.03 0.00 0.00 46.19 46.39 3dl9 s LEU 443 CO 0.00 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.41 3dl9 n GLY 444 N -0.40 -1.66 0.34 -3.19 0.00 -1.25 -3.90 105.19 95.12 3dl9 n GLY 444 Ca 0.01 -1.35 0.11 0.00 0.00 0.00 0.00 46.02 44.79 3dl9 n GLY 444 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dl9 h ARG 445 N 0.00 0.36 -0.69 1.61 2.47 -1.83 -1.91 114.38 114.39 3dl9 h ARG 445 Ca 0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3dl9 h ARG 445 Cb 0.00 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3dl9 h ARG 445 CO 0.00 0.24 0.00 0.54 0.56 0.00 0.00 179.97 181.31 3dl9 n ARG 446 N -4.47 2.73 -1.60 0.04 5.12 -1.26 -5.01 116.66 112.21 3dl9 n ARG 446 Ca 0.07 -2.52 -0.39 0.00 -1.93 0.00 0.00 57.85 53.08 3dl9 n ARG 446 Cb 0.30 -1.58 0.04 0.00 -1.16 0.00 0.00 32.46 30.06 3dl9 n ARG 446 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 3dl9 n HIS 447 N 1.47 0.84 -1.57 -1.55 1.44 -0.72 -4.72 115.22 110.41 3dl9 n HIS 447 Ca 0.23 0.47 -0.59 0.00 -2.01 0.00 0.00 57.72 55.83 3dl9 n HIS 447 Cb 0.62 -2.16 -0.08 0.00 0.12 0.00 0.00 29.99 28.49 3dl9 n HIS 447 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dl9 h LEU 449 N 3.95 0.00 -3.38 0.00 6.46 -1.91 -3.31 115.31 117.11 3dl9 h LEU 449 Ca -0.49 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.04 3dl9 h LEU 449 Cb 1.39 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.32 3dl9 h LEU 449 CO 0.75 0.11 0.00 0.61 -0.62 0.00 0.00 178.44 179.30 3dl9 n GLY 450 N 1.33 3.29 0.43 3.75 0.00 -1.26 -4.73 105.19 108.00 3dl9 n GLY 450 Ca 0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 3dl9 n GLY 450 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dl9 h GLU 451 N 3.25 -0.83 -0.41 1.61 4.81 -1.95 -0.52 114.58 120.53 3dl9 h GLU 451 Ca 0.00 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3dl9 h GLU 451 Cb 1.69 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 31.22 3dl9 h GLU 451 CO 0.35 -0.56 0.18 1.25 -0.73 0.00 0.00 179.01 179.51 3dl9 h HIS 452 N -0.87 0.33 -0.90 0.92 2.76 -1.90 -1.55 115.15 113.94 3dl9 h HIS 452 Ca -0.04 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 3dl9 h HIS 452 Cb 0.76 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 29.59 3dl9 h HIS 452 CO -0.21 0.15 0.60 1.25 -1.30 0.00 0.00 177.93 178.42 3dl9 h LEU 453 N 0.37 1.03 -1.01 0.26 5.85 -1.86 -2.45 115.31 117.51 3dl9 h LEU 453 Ca 0.18 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3dl9 h LEU 453 Cb 0.13 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3dl9 h LEU 453 CO -0.16 0.75 0.04 0.00 -0.34 0.00 0.00 178.44 178.73 3dl9 h ALA 454 N 1.34 1.18 -0.28 1.25 0.00 -0.31 -1.64 119.26 120.80 3dl9 h ALA 454 Ca 0.33 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3dl9 h ALA 454 Cb -0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3dl9 h ALA 454 CO -0.08 0.54 -0.48 0.00 0.00 0.00 0.00 179.25 179.23 3dl9 h ARG 455 N 0.72 0.76 -0.33 0.00 3.08 -0.96 0.23 114.38 117.88 3dl9 h ARG 455 Ca 0.15 -0.44 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 3dl9 h ARG 455 Cb 0.38 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3dl9 h ARG 455 CO 0.01 1.07 0.20 0.52 -1.07 0.00 0.00 179.97 180.70 3dl9 h MET 456 N 0.60 0.45 0.05 0.04 2.86 -1.17 -1.94 114.93 115.82 3dl9 h MET 456 Ca 0.03 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3dl9 h MET 456 Cb 1.05 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.62 3dl9 h MET 456 CO 0.10 0.35 -0.03 0.93 1.06 0.00 0.00 176.91 179.33 3dl9 h GLU 457 N 0.43 -0.07 -0.29 1.72 5.08 -1.05 -1.26 114.58 119.13 3dl9 h GLU 457 Ca 0.12 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 3dl9 h GLU 457 Cb 0.02 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 3dl9 h GLU 457 CO -0.02 0.11 -0.43 0.52 -1.00 0.00 0.00 179.01 178.19 3dl9 h MET 458 N -0.24 -0.38 -0.32 2.33 2.86 -0.95 0.79 114.93 119.01 3dl9 h MET 458 Ca -0.01 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3dl9 h MET 458 Cb 0.22 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3dl9 h MET 458 CO 0.01 -0.25 0.19 0.35 1.06 0.00 0.00 176.91 178.27 3dl9 h PHE 459 N -0.40 0.43 -0.04 -0.22 3.57 -1.30 -1.65 116.94 117.34 3dl9 h PHE 459 Ca 0.11 -0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.35 3dl9 h PHE 459 Cb 0.60 -0.14 0.02 0.00 2.79 0.00 0.00 35.95 39.22 3dl9 h PHE 459 CO -0.57 0.32 -0.99 -0.07 -2.23 0.00 0.00 178.31 174.78 3dl9 h LEU 460 N 0.41 0.92 -0.31 0.59 3.38 -0.99 -1.70 115.31 117.61 3dl9 h LEU 460 Ca 0.11 -0.71 -0.09 0.00 0.09 0.00 0.00 57.88 57.29 3dl9 h LEU 460 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3dl9 h LEU 460 CO -0.02 1.51 -0.14 -0.26 0.09 0.00 0.00 178.44 179.62 3dl9 h PHE 461 N 0.43 0.75 -0.02 1.13 -1.00 -0.87 -1.05 116.94 116.31 3dl9 h PHE 461 Ca -0.11 -0.18 0.01 0.00 2.81 0.00 0.00 57.97 60.50 3dl9 h PHE 461 Cb 1.63 -0.17 -0.01 0.00 3.61 0.00 0.00 35.95 41.01 3dl9 h PHE 461 CO 0.10 0.87 -0.04 0.35 -1.61 0.00 0.00 178.31 177.98 3dl9 h PHE 462 N 0.41 -0.09 -0.19 -0.55 3.57 -1.31 -0.87 116.94 117.91 3dl9 h PHE 462 Ca 0.07 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 3dl9 h PHE 462 Cb 0.66 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.44 3dl9 h PHE 462 CO 0.06 -0.06 -0.15 1.79 -2.23 0.00 0.00 178.31 177.72 3dl9 h THR 463 N -0.06 1.33 -0.72 4.41 1.35 -1.36 -0.01 112.91 117.85 3dl9 h THR 463 Ca 0.02 -1.29 0.07 0.00 -0.55 0.00 0.00 66.41 64.67 3dl9 h THR 463 Cb 0.09 1.76 -0.06 0.00 -1.73 0.00 0.00 68.15 68.20 3dl9 h THR 463 CO -0.05 0.39 0.39 0.00 -0.25 0.00 0.00 175.52 176.00 3dl9 h ALA 464 N 0.65 0.98 0.29 6.62 0.00 -1.15 0.13 119.26 126.78 3dl9 h ALA 464 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3dl9 h ALA 464 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3dl9 h ALA 464 CO 0.04 0.04 -0.14 1.25 0.00 0.00 0.00 179.25 180.45 3dl9 h LEU 465 N 0.70 -0.33 -1.83 0.00 5.85 -1.10 -2.97 115.31 115.63 3dl9 h LEU 465 Ca 0.33 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3dl9 h LEU 465 Cb 0.26 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3dl9 h LEU 465 CO -0.22 0.08 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.79 3dl9 h LEU 466 N -0.80 0.00 -0.51 2.25 3.38 -0.79 0.19 115.31 119.02 3dl9 h LEU 466 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3dl9 h LEU 466 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3dl9 h LEU 466 CO 0.06 0.10 -0.37 -0.61 0.09 0.00 0.00 178.44 177.72 3dl9 h GLN 467 N 0.00 0.81 0.00 1.13 4.15 -0.75 -3.34 115.11 117.11 3dl9 h GLN 467 Ca -0.00 -0.41 -0.26 0.00 0.77 0.00 0.00 58.65 58.75 3dl9 h GLN 467 Cb 0.40 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 3dl9 h GLN 467 CO 0.01 1.04 -1.78 -2.13 -1.93 0.00 0.00 178.83 174.04 3dl9 n ARG 468 N -4.05 0.64 -4.26 1.69 0.63 -0.77 -4.84 116.66 105.69 3dl9 n ARG 468 Ca -0.02 0.19 -0.19 0.00 -0.92 0.00 0.00 57.85 56.91 3dl9 n ARG 468 Cb 0.52 -1.73 -0.11 0.00 0.45 0.00 0.00 32.46 31.59 3dl9 n ARG 468 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3dl9 s PHE 469 N -2.71 1.51 -0.17 -0.14 0.40 -0.02 -2.54 117.98 114.32 3dl9 s PHE 469 Ca -0.05 -0.53 -0.08 0.00 -0.60 0.00 0.00 56.93 55.67 3dl9 s PHE 469 Cb 0.08 -0.78 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 3dl9 s PHE 469 CO 0.83 0.19 0.11 -1.58 0.70 0.00 0.00 175.22 175.46 3dl9 s HIS 470 N -2.06 3.41 -0.08 0.36 5.65 -0.32 -4.50 115.29 117.76 3dl9 s HIS 470 Ca 0.10 0.32 0.03 0.00 0.25 0.00 0.00 55.06 55.76 3dl9 s HIS 470 Cb -0.05 -2.06 -0.02 0.00 -1.18 0.00 0.00 32.58 29.27 3dl9 s HIS 470 CO 0.04 0.39 -0.16 -0.51 -0.65 0.00 0.00 174.74 173.86 3dl9 s LEU 471 N -0.09 2.63 0.22 8.88 1.43 -1.26 -1.38 118.68 129.10 3dl9 s LEU 471 Ca 0.09 -0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 52.69 3dl9 s LEU 471 Cb -0.12 -1.54 0.04 0.00 0.03 0.00 0.00 46.19 44.60 3dl9 s LEU 471 CO 0.00 0.27 0.65 -1.38 0.23 0.00 0.00 176.35 176.12 3dl9 s HIS 472 N -0.30 -0.35 0.47 0.29 -3.43 -0.99 -4.42 115.29 106.57 3dl9 s HIS 472 Ca 0.02 0.01 -0.12 0.00 -0.80 0.00 0.00 55.06 54.17 3dl9 s HIS 472 Cb -0.13 0.61 -0.06 0.00 -1.43 0.00 0.00 32.58 31.57 3dl9 s HIS 472 CO 0.03 -1.03 0.86 -0.06 -2.00 0.00 0.00 174.74 172.54 3dl9 s PHE 473 N -3.84 3.49 0.23 0.38 0.08 -1.26 -1.20 117.98 115.86 3dl9 s PHE 473 Ca 0.06 1.18 -0.30 0.00 0.12 0.00 0.00 56.93 57.99 3dl9 s PHE 473 Cb -0.03 -2.56 -0.09 0.00 -0.57 0.00 0.00 43.02 39.76 3dl9 s PHE 473 CO -0.03 -0.26 1.33 -2.14 -0.10 0.00 0.00 175.22 174.02 3dl9 s PRO 474 N -4.14 4.37 -1.12 0.24 0.02 -1.26 -2.82 135.00 130.29 3dl9 s PRO 474 Ca 0.54 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.68 3dl9 s PRO 474 Cb -0.10 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.26 3dl9 s PRO 474 CO 0.35 -0.26 0.00 0.72 -0.33 0.00 0.00 177.00 177.48 3dl9 n HIS 475 N 2.27 -0.98 -2.14 6.54 8.25 -1.26 0.11 115.22 128.00 3dl9 n HIS 475 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.45 3dl9 n HIS 475 Cb 0.42 -2.55 -0.01 0.00 1.12 0.00 0.00 29.99 28.97 3dl9 n HIS 475 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dl9 n GLU 476 N -2.33 -2.22 -1.44 -0.41 -0.58 -1.13 -4.88 120.64 107.66 3dl9 n GLU 476 Ca -0.13 0.34 -0.40 0.00 -0.42 0.00 0.00 57.16 56.55 3dl9 n GLU 476 Cb 0.51 -4.78 0.02 0.00 -0.57 0.00 0.00 31.44 26.62 3dl9 n GLU 476 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3dl9 n LEU 477 N -2.35 -0.03 -4.58 -4.62 4.32 0.30 -4.85 117.00 105.19 3dl9 n LEU 477 Ca -0.08 0.81 -0.42 0.00 -0.02 0.00 0.00 56.01 56.31 3dl9 n LEU 477 Cb 0.47 -1.11 -0.02 0.00 -1.62 0.00 0.00 43.42 41.13 3dl9 n LEU 477 CO 0.09 -3.13 1.25 -0.69 -1.22 0.00 0.00 177.39 173.69 3dl9 s VAL 478 N -1.63 3.82 0.39 4.08 1.01 -1.26 -4.89 120.40 121.91 3dl9 s VAL 478 Ca 0.65 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 63.28 3dl9 s VAL 478 Cb -0.52 -4.38 -0.06 0.00 0.00 0.00 0.00 36.38 31.42 3dl9 s VAL 478 CO 0.57 -1.06 0.72 -2.16 0.00 0.00 0.00 175.10 173.17 3dl9 s PRO 479 N 5.37 3.71 -0.16 2.72 0.04 -1.26 -5.07 135.00 140.35 3dl9 s PRO 479 Ca 0.55 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 3dl9 s PRO 479 Cb -0.11 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3dl9 s PRO 479 CO 0.27 0.00 0.37 0.34 0.04 0.00 0.00 177.00 178.02 3dl9 s ASP 480 N -3.28 6.50 0.00 6.66 2.15 -1.26 -4.99 116.67 122.46 3dl9 s ASP 480 Ca 0.49 0.59 0.14 0.00 0.43 0.00 0.00 52.55 54.21 3dl9 s ASP 480 Cb -0.10 -2.22 0.19 0.00 -0.30 0.00 0.00 42.92 40.49 3dl9 s ASP 480 CO 0.33 0.02 1.06 0.18 -0.17 0.00 0.00 175.17 176.59 3dl9 n LEU 481 N 3.86 2.49 -4.66 -1.34 4.77 -1.26 -4.56 117.00 116.30 3dl9 n LEU 481 Ca -0.10 -1.28 -0.43 0.00 -0.03 0.00 0.00 56.01 54.18 3dl9 n LEU 481 Cb 0.52 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 3dl9 n LEU 481 CO 0.41 0.51 1.11 -0.54 -1.33 0.00 0.00 177.39 177.55 3dl9 s LYS 482 N -1.15 4.24 0.63 3.23 1.02 -1.26 -5.01 119.74 121.44 3dl9 s LYS 482 Ca 0.21 1.75 -0.16 0.00 0.02 0.00 0.00 55.97 57.78 3dl9 s LYS 482 Cb 0.13 -3.77 -0.02 0.00 -0.52 0.00 0.00 37.83 33.66 3dl9 s LYS 482 CO 0.19 -0.70 1.11 -1.25 -0.92 0.00 0.00 175.35 173.78 3dl9 s PRO 483 N 3.41 2.94 0.36 -1.68 0.04 -1.26 -4.40 135.00 134.41 3dl9 s PRO 483 Ca 0.58 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.78 3dl9 s PRO 483 Cb -0.24 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.24 3dl9 s PRO 483 CO 0.18 -1.14 1.18 1.03 0.04 0.00 0.00 177.00 178.28 3dl9 s ARG 484 N -3.90 4.27 0.24 4.56 0.52 -0.86 -4.96 118.95 118.82 3dl9 s ARG 484 Ca 0.68 1.91 -0.31 0.00 -0.52 0.00 0.00 55.73 57.49 3dl9 s ARG 484 Cb -0.21 -2.88 -0.11 0.00 0.52 0.00 0.00 34.95 32.26 3dl9 s ARG 484 CO 0.38 -0.16 1.62 -1.17 0.02 0.00 0.00 175.30 175.99 3dl9 s LEU 485 N -2.09 4.36 0.00 2.53 2.96 -1.26 -4.35 118.68 120.83 3dl9 s LEU 485 Ca 0.52 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 57.29 3dl9 s LEU 485 Cb -0.33 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.75 3dl9 s LEU 485 CO 0.42 -0.90 0.00 0.61 -1.32 0.00 0.00 176.35 175.16 3dl9 n GLY 486 N 2.96 0.30 0.26 7.98 0.00 -1.26 -4.93 105.19 110.50 3dl9 n GLY 486 Ca 0.11 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.37 3dl9 n GLY 486 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3dl9 h MET 487 N 0.00 0.00 -6.54 1.61 2.86 -1.70 -3.41 114.93 107.75 3dl9 h MET 487 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 3dl9 h MET 487 Cb 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.49 3dl9 h MET 487 CO 0.00 0.07 -0.79 0.95 1.06 0.00 0.00 176.91 178.20 3dl9 s THR 488 N -3.68 2.57 -0.20 2.22 -4.23 -1.26 -4.38 115.64 106.68 3dl9 s THR 488 Ca 0.01 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 3dl9 s THR 488 Cb 0.09 -2.25 -0.04 0.00 1.34 0.00 0.00 72.50 71.64 3dl9 s THR 488 CO 0.58 -0.14 0.30 -0.76 -0.54 0.00 0.00 174.62 174.05 3dl9 s LEU 489 N -2.79 4.16 0.08 4.79 1.43 0.11 -4.89 118.68 121.57 3dl9 s LEU 489 Ca 0.23 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 3dl9 s LEU 489 Cb -0.08 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 3dl9 s LEU 489 CO 0.12 0.01 -0.10 0.00 0.23 0.00 0.00 176.35 176.60 3dl9 s GLN 490 N 1.02 0.76 0.80 1.70 -2.07 -1.26 -4.69 119.66 115.92 3dl9 s GLN 490 Ca 0.15 -1.02 -0.11 0.00 -1.82 0.00 0.00 55.36 52.56 3dl9 s GLN 490 Cb -0.14 -0.54 0.07 0.00 -1.09 0.00 0.00 33.01 31.32 3dl9 s GLN 490 CO 0.06 0.10 1.09 -1.25 -1.32 0.00 0.00 175.29 173.96 3dl9 s PRO 491 N -2.28 2.09 0.78 9.60 0.04 -1.26 -2.03 135.00 141.94 3dl9 s PRO 491 Ca 0.00 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.84 3dl9 s PRO 491 Cb -0.06 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.65 3dl9 s PRO 491 CO 0.01 -1.68 1.11 -0.65 0.04 0.00 0.00 177.00 175.82 3dl9 s GLN 492 N -5.00 2.11 0.23 4.56 -1.52 -1.26 -4.78 119.66 114.00 3dl9 s GLN 492 Ca 0.61 1.28 -0.31 0.00 -1.95 0.00 0.00 55.36 55.00 3dl9 s GLN 492 Cb -0.16 -1.87 -0.14 0.00 -0.22 0.00 0.00 33.01 30.62 3dl9 s GLN 492 CO 0.56 -1.77 1.27 -2.30 -0.25 0.00 0.00 175.29 172.80 3dl9 n PRO 493 N -3.47 1.69 -3.74 2.91 -0.02 -1.26 -5.00 135.00 126.11 3dl9 n PRO 493 Ca 0.10 0.60 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 3dl9 n PRO 493 Cb 0.53 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 3dl9 n PRO 493 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3dl9 s TYR 494 N -0.32 -0.44 0.26 6.00 -0.85 -1.26 -4.96 117.35 115.78 3dl9 s TYR 494 Ca 0.67 1.06 -0.13 0.00 -0.52 0.00 0.00 57.07 58.15 3dl9 s TYR 494 Cb -0.71 0.16 -0.08 0.00 0.38 0.00 0.00 41.96 41.71 3dl9 s TYR 494 CO 0.53 -0.22 0.64 -0.51 -1.52 0.00 0.00 175.55 174.47 3dl9 s LEU 495 N 0.35 4.15 0.03 -3.49 1.43 -1.26 -4.42 118.68 115.48 3dl9 s LEU 495 Ca -0.01 1.12 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 3dl9 s LEU 495 Cb -0.03 -3.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 3dl9 s LEU 495 CO -0.01 -0.10 -0.06 -0.63 0.23 0.00 0.00 176.35 175.78 3dl9 s ILE 496 N -1.83 0.40 -0.21 -0.59 1.01 -0.16 -4.58 121.20 115.23 3dl9 s ILE 496 Ca 0.49 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 3dl9 s ILE 496 Cb -0.12 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 3dl9 s ILE 496 CO 0.19 -0.41 0.04 0.00 0.00 0.00 0.00 174.94 174.76 3dl9 s ALA 498 N 1.01 2.90 -0.13 0.00 0.00 -1.26 -2.36 121.76 121.92 3dl9 s ALA 498 Ca 0.03 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 3dl9 s ALA 498 Cb -0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 3dl9 s ALA 498 CO 0.02 -0.86 -0.12 -1.21 0.00 0.00 0.00 175.76 173.60 3dl9 s GLU 499 N 1.42 3.41 0.71 0.00 2.02 -0.48 -3.52 118.70 122.26 3dl9 s GLU 499 Ca 0.02 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 3dl9 s GLU 499 Cb -0.17 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.39 3dl9 s GLU 499 CO -0.01 0.23 0.89 2.89 0.02 0.00 0.00 175.26 179.28 3dl9 n ARG 500 N 3.50 0.51 -0.07 1.61 -4.01 -1.26 -1.17 116.66 115.76 3dl9 n ARG 500 Ca -0.18 0.22 -0.13 0.00 -1.04 0.00 0.00 57.85 56.72 3dl9 n ARG 500 Cb 0.53 -2.15 -0.06 0.00 -3.04 0.00 0.00 32.46 27.74 3dl9 n ARG 500 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3dl9 n ARG 501 N -1.58 0.32 0.00 2.89 1.74 -1.05 -4.74 116.66 114.24 3dl9 n ARG 501 Ca 0.13 0.12 0.06 0.00 -0.77 0.00 0.00 57.85 57.39 3dl9 n ARG 501 Cb 0.49 -1.12 0.05 0.00 -1.02 0.00 0.00 32.46 30.87 3dl9 n ARG 501 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83