#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlx s LYS 41 N 0.00 4.07 -0.02 -2.82 2.20 -0.38 -5.00 119.74 117.79 3dlx s LYS 41 Ca 0.00 -0.29 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 3dlx s LYS 41 Cb 0.00 -3.34 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 3dlx s LYS 41 CO 0.00 0.24 0.40 -0.06 -0.36 0.00 0.00 175.35 175.58 3dlx s PHE 42 N 0.49 3.70 0.04 4.03 0.40 -1.26 -1.49 117.98 123.89 3dlx s PHE 42 Ca 0.06 0.97 0.07 0.00 -0.60 0.00 0.00 56.93 57.42 3dlx s PHE 42 Cb -0.12 -2.30 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 3dlx s PHE 42 CO -0.00 0.60 -0.20 0.71 0.70 0.00 0.00 175.22 177.04 3dlx s TYR 43 N -0.91 1.72 -0.18 0.36 1.51 -0.33 -4.95 117.35 114.58 3dlx s TYR 43 Ca 0.23 -0.37 0.22 0.00 -1.01 0.00 0.00 57.07 56.15 3dlx s TYR 43 Cb -0.16 -1.04 -0.29 0.00 -0.11 0.00 0.00 41.96 40.36 3dlx s TYR 43 CO 0.13 0.07 0.59 0.25 -1.11 0.00 0.00 175.55 175.48 3dlx n THR 44 N 1.94 0.05 -3.90 -0.71 -2.24 -1.26 -4.34 114.28 103.82 3dlx n THR 44 Ca -0.17 -0.44 -0.35 0.00 -2.27 0.00 0.00 64.05 60.82 3dlx n THR 44 Cb 0.53 0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.73 3dlx n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dlx s ASP 45 N -4.38 4.43 0.27 3.42 -1.08 -1.26 -5.00 116.67 113.07 3dlx s ASP 45 Ca -0.05 -0.60 -0.03 0.00 -0.52 0.00 0.00 52.55 51.34 3dlx s ASP 45 Cb 0.14 -1.73 0.36 0.00 -1.46 0.00 0.00 42.92 40.22 3dlx s ASP 45 CO 0.89 -0.08 1.88 1.55 0.52 0.00 0.00 175.17 179.92 3dlx h PRO 46 N 8.10 1.03 -0.42 4.34 0.13 -1.93 -2.47 132.00 140.79 3dlx h PRO 46 Ca -0.37 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 3dlx h PRO 46 Cb 1.14 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.05 3dlx h PRO 46 CO 0.60 0.79 0.09 0.28 -0.23 0.00 0.00 178.00 179.53 3dlx h VAL 47 N 1.03 1.19 -0.85 1.56 2.07 -1.92 -2.17 116.25 117.16 3dlx h VAL 47 Ca 0.25 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3dlx h VAL 47 Cb 0.09 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3dlx h VAL 47 CO -0.03 0.25 0.55 -0.08 0.02 0.00 0.00 177.57 178.28 3dlx h GLU 48 N 0.61 1.13 0.00 1.57 4.57 -1.88 0.20 114.58 120.79 3dlx h GLU 48 Ca 0.14 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.21 3dlx h GLU 48 Cb 0.25 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3dlx h GLU 48 CO -0.00 0.76 -0.13 0.00 -1.18 0.00 0.00 179.01 178.46 3dlx h ALA 49 N 1.44 1.14 0.00 2.92 0.00 -1.11 -3.32 119.26 120.34 3dlx h ALA 49 Ca 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3dlx h ALA 49 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dlx h ALA 49 CO -0.06 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.68 3dlx n VAL 50 N -3.45 0.42 0.29 0.00 0.24 -1.06 -4.86 118.33 109.91 3dlx n VAL 50 Ca -0.01 -0.61 0.18 0.00 -2.04 0.00 0.00 64.34 61.86 3dlx n VAL 50 Cb 0.30 0.89 0.92 0.00 -1.47 0.00 0.00 33.84 34.47 3dlx n VAL 50 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3dlx h LYS 51 N 0.00 0.00 -0.24 7.34 3.64 -0.69 -2.54 116.57 124.08 3dlx h LYS 51 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dlx h LYS 51 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3dlx h LYS 51 CO 0.00 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 176.78 3dlx n ASP 52 N -2.81 2.83 -4.67 4.20 5.75 -1.26 -4.93 116.55 115.67 3dlx n ASP 52 Ca -0.02 -2.20 -0.42 0.00 -0.01 0.00 0.00 54.79 52.14 3dlx n ASP 52 Cb 0.11 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 3dlx n ASP 52 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3dlx s ILE 53 N -1.35 3.15 0.45 2.12 1.01 -0.96 -4.99 121.20 120.62 3dlx s ILE 53 Ca 0.21 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 3dlx s ILE 53 Cb 0.13 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 3dlx s ILE 53 CO 0.11 -0.02 0.83 -2.16 0.00 0.00 0.00 174.94 173.70 3dlx s PRO 54 N 3.98 3.75 0.40 2.79 0.04 -1.26 -4.90 135.00 139.81 3dlx s PRO 54 Ca 0.82 0.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.12 3dlx s PRO 54 Cb -0.40 -2.32 -0.10 0.00 0.04 0.00 0.00 34.50 31.72 3dlx s PRO 54 CO 0.36 -0.15 1.39 -0.25 0.04 0.00 0.00 177.00 178.40 3dlx n ASP 55 N -1.61 3.19 0.00 6.66 8.00 -1.26 -2.49 116.55 129.04 3dlx n ASP 55 Ca 0.03 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.70 3dlx n ASP 55 Cb 0.54 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 3dlx n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dlx n GLY 56 N 0.63 0.66 3.78 0.44 0.00 -0.06 -4.98 105.19 105.64 3dlx n GLY 56 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3dlx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlx s ALA 57 N -2.38 2.65 -0.24 4.61 0.00 -1.04 -4.60 121.76 120.75 3dlx s ALA 57 Ca 0.00 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.45 3dlx s ALA 57 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3dlx s ALA 57 CO 0.00 -0.89 0.58 0.99 0.00 0.00 0.00 175.76 176.44 3dlx s THR 58 N -2.01 5.03 -0.11 0.00 2.01 -1.26 -1.15 115.64 118.15 3dlx s THR 58 Ca 0.70 1.04 0.01 0.00 0.31 0.00 0.00 61.69 63.75 3dlx s THR 58 Cb -0.22 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.42 3dlx s THR 58 CO 0.31 0.08 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 3dlx s VAL 59 N 2.21 1.38 -0.11 3.82 1.01 -0.23 -1.65 120.40 126.82 3dlx s VAL 59 Ca 0.25 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 3dlx s VAL 59 Cb -0.16 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3dlx s VAL 59 CO 0.09 0.42 0.82 -0.76 0.00 0.00 0.00 175.10 175.67 3dlx s LEU 60 N 1.22 4.25 -0.17 3.92 1.43 -0.28 -0.57 118.68 128.48 3dlx s LEU 60 Ca -0.02 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.35 3dlx s LEU 60 Cb -0.14 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.85 3dlx s LEU 60 CO -0.05 -0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 175.39 3dlx s VAL 61 N 1.55 1.79 0.89 -1.59 1.01 0.44 -0.29 120.40 124.20 3dlx s VAL 61 Ca 0.40 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3dlx s VAL 61 Cb -0.18 -1.67 0.12 0.00 0.00 0.00 0.00 36.38 34.65 3dlx s VAL 61 CO 0.17 0.46 1.09 -0.83 0.00 0.00 0.00 175.10 175.98 3dlx s GLY 62 N 1.39 1.63 0.00 4.51 0.00 -0.48 -4.45 107.32 109.92 3dlx s GLY 62 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.79 3dlx s GLY 62 CO -0.11 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.09 3dlx n GLY 63 N -0.99 3.74 2.82 0.20 0.00 -1.20 -4.42 105.19 105.34 3dlx n GLY 63 Ca 0.07 -1.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 3dlx n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dlx s PHE 64 N -2.11 1.28 0.00 1.61 5.36 -0.44 -4.37 117.98 119.30 3dlx s PHE 64 Ca 0.00 -0.82 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 3dlx s PHE 64 Cb 0.00 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.56 3dlx s PHE 64 CO 0.00 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.62 3dlx n GLY 65 N 4.99 3.53 1.07 13.12 0.00 -1.26 -0.60 105.19 126.04 3dlx n GLY 65 Ca -0.10 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.93 3dlx n GLY 65 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dlx n LEU 66 N 0.00 3.19 -4.56 0.99 4.77 -1.26 -4.61 117.00 115.51 3dlx n LEU 66 Ca 0.00 -1.43 -0.41 0.00 -0.03 0.00 0.00 56.01 54.14 3dlx n LEU 66 Cb 0.00 -0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 3dlx n LEU 66 CO 0.00 0.71 0.16 0.00 -1.33 0.00 0.00 177.39 176.94 3dlx n GLY 68 N 4.80 0.86 3.67 0.00 0.00 -1.26 -1.33 105.19 111.93 3dlx n GLY 68 Ca -0.06 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3dlx n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dlx s ILE 69 N -2.43 5.05 -1.06 -0.61 -1.09 -1.26 -3.23 121.20 116.57 3dlx s ILE 69 Ca 0.00 1.13 -0.21 0.00 -2.23 0.00 0.00 60.65 59.34 3dlx s ILE 69 Cb 0.00 -3.92 -0.09 0.00 -1.58 0.00 0.00 42.46 36.87 3dlx s ILE 69 CO 0.00 0.14 1.93 -0.81 -1.23 0.00 0.00 174.94 174.97 3dlx n PRO 70 N 4.85 1.84 0.05 2.79 -0.04 -1.26 -4.78 135.00 138.44 3dlx n PRO 70 Ca -0.02 -2.34 -0.07 0.00 -0.04 0.00 0.00 63.50 61.02 3dlx n PRO 70 Cb 0.50 -3.37 0.09 0.00 -0.04 0.00 0.00 33.50 30.68 3dlx n PRO 70 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3dlx h GLU 71 N 8.51 0.39 -0.25 0.54 4.11 -1.93 -1.38 114.58 124.56 3dlx h GLU 71 Ca 0.35 -0.26 -0.17 0.00 0.07 0.00 0.00 59.36 59.35 3dlx h GLU 71 Cb 0.81 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3dlx h GLU 71 CO 1.58 0.87 -0.52 -0.91 0.07 0.00 0.00 179.01 180.09 3dlx h ASN 72 N 0.29 0.79 0.24 3.06 2.35 -1.86 -2.37 115.58 118.08 3dlx h ASN 72 Ca -0.00 -0.41 -0.16 0.00 -0.55 0.00 0.00 56.30 55.17 3dlx h ASN 72 Cb 1.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3dlx h ASN 72 CO 0.10 1.16 -0.63 -0.07 -1.65 0.00 0.00 177.43 176.34 3dlx h LEU 73 N 0.56 0.43 -0.92 1.61 3.38 -1.90 -1.92 115.31 116.55 3dlx h LEU 73 Ca 0.02 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3dlx h LEU 73 Cb 1.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3dlx h LEU 73 CO 0.11 0.96 -0.01 0.40 0.09 0.00 0.00 178.44 179.99 3dlx h ILE 74 N 0.28 1.24 -0.48 1.22 2.04 -1.24 -2.19 117.51 118.37 3dlx h ILE 74 Ca -0.01 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 3dlx h ILE 74 Cb 1.17 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3dlx h ILE 74 CO 0.11 0.35 -0.13 -0.78 0.00 0.00 0.00 178.15 177.70 3dlx h ASP 75 N 0.73 0.91 -0.39 1.72 3.58 -1.25 -2.29 116.42 119.44 3dlx h ASP 75 Ca 0.14 -0.30 -0.00 0.00 0.42 0.00 0.00 57.03 57.29 3dlx h ASP 75 Cb 0.46 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3dlx h ASP 75 CO 0.02 1.04 0.24 0.00 -2.88 0.00 0.00 179.24 177.66 3dlx h ALA 76 N 1.04 0.50 -0.92 -0.78 0.00 -1.11 -2.58 119.26 115.40 3dlx h ALA 76 Ca 0.13 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3dlx h ALA 76 Cb 0.66 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3dlx h ALA 76 CO 0.05 -0.00 0.60 -0.07 0.00 0.00 0.00 179.25 179.82 3dlx h LEU 77 N 0.51 0.96 -0.89 0.00 4.07 -1.07 -0.51 115.31 118.38 3dlx h LEU 77 Ca 0.14 -0.00 0.13 0.00 0.08 0.00 0.00 57.88 58.22 3dlx h LEU 77 Cb 0.00 -0.21 -0.09 0.00 1.08 0.00 0.00 40.66 41.45 3dlx h LEU 77 CO -0.03 0.64 0.51 -0.07 -1.08 0.00 0.00 178.44 178.42 3dlx h LEU 78 N 1.11 0.69 -0.32 1.67 3.38 -1.06 0.13 115.31 120.92 3dlx h LEU 78 Ca 0.38 0.07 -0.19 0.00 0.09 0.00 0.00 57.88 58.23 3dlx h LEU 78 Cb 0.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dlx h LEU 78 CO -0.13 0.34 -0.59 0.11 0.09 0.00 0.00 178.44 178.27 3dlx h LYS 79 N 0.78 0.80 0.00 1.13 1.57 -0.77 -3.24 116.57 116.83 3dlx h LYS 79 Ca 0.46 -0.53 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 3dlx h LYS 79 Cb 0.54 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3dlx h LYS 79 CO -0.30 1.16 -0.51 1.79 -0.57 0.00 0.00 179.45 181.02 3dlx h THR 80 N 0.60 0.91 0.00 -0.16 1.35 -1.06 -3.47 112.91 111.07 3dlx h THR 80 Ca 0.00 -2.16 0.00 0.00 -0.55 0.00 0.00 66.41 63.70 3dlx h THR 80 Cb 1.19 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 3dlx h THR 80 CO 0.13 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.50 3dlx n GLY 81 N 1.06 0.52 3.66 5.82 0.00 0.45 -4.97 105.19 111.73 3dlx n GLY 81 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.54 3dlx n GLY 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dlx n VAL 82 N -2.75 0.18 -4.42 1.61 3.14 -1.25 -4.98 118.33 109.87 3dlx n VAL 82 Ca 0.00 -0.03 -0.29 0.00 -2.96 0.00 0.00 64.34 61.06 3dlx n VAL 82 Cb 0.04 -1.39 -0.07 0.00 -1.06 0.00 0.00 33.84 31.36 3dlx n VAL 82 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 3dlx s LYS 83 N 1.91 2.16 -0.14 1.45 0.00 -1.26 -4.78 119.74 119.08 3dlx s LYS 83 Ca 0.86 -2.13 0.00 0.00 0.00 0.00 0.00 55.97 54.70 3dlx s LYS 83 Cb -0.81 -1.77 0.00 0.00 0.00 0.00 0.00 37.83 35.25 3dlx s LYS 83 CO 0.47 -0.28 0.00 0.41 0.00 0.00 0.00 175.35 175.96 3dlx n GLY 84 N -1.28 0.44 3.77 0.59 0.00 -1.12 -0.88 105.19 106.71 3dlx n GLY 84 Ca -0.08 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3dlx n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlx s LEU 85 N -0.30 4.22 -0.53 0.99 1.43 -1.01 -3.90 118.68 119.58 3dlx s LEU 85 Ca 0.00 2.44 -0.17 0.00 -1.03 0.00 0.00 54.13 55.37 3dlx s LEU 85 Cb 0.00 -3.97 0.09 0.00 0.03 0.00 0.00 46.19 42.34 3dlx s LEU 85 CO 0.00 -0.71 0.54 -0.89 0.23 0.00 0.00 176.35 175.53 3dlx s THR 86 N -1.35 5.05 -0.35 5.49 2.01 -0.30 -0.98 115.64 125.21 3dlx s THR 86 Ca 0.56 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.29 3dlx s THR 86 Cb -0.33 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 67.88 3dlx s THR 86 CO 0.42 -0.83 0.79 0.00 -0.69 0.00 0.00 174.62 174.30 3dlx s ALA 87 N 2.09 3.46 -0.50 7.40 0.00 0.90 -1.07 121.76 134.03 3dlx s ALA 87 Ca 0.08 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.24 3dlx s ALA 87 Cb -0.25 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.57 3dlx s ALA 87 CO 0.07 -1.40 0.73 0.08 0.00 0.00 0.00 175.76 175.23 3dlx s VAL 88 N 3.06 4.71 -0.15 0.00 1.01 0.27 -0.63 120.40 128.68 3dlx s VAL 88 Ca 0.32 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 3dlx s VAL 88 Cb -0.13 -4.35 0.06 0.00 0.00 0.00 0.00 36.38 31.96 3dlx s VAL 88 CO 0.16 -0.85 0.34 -0.55 0.00 0.00 0.00 175.10 174.19 3dlx s SER 89 N 2.58 -0.22 0.24 3.32 0.15 -0.54 -0.42 113.70 118.82 3dlx s SER 89 Ca 0.22 0.76 -0.05 0.00 0.70 0.00 0.00 55.95 57.58 3dlx s SER 89 Cb -0.16 0.77 0.46 0.00 -1.71 0.00 0.00 66.02 65.38 3dlx s SER 89 CO 0.16 -0.20 1.71 -1.13 1.20 0.00 0.00 173.24 174.98 3dlx h ASN 90 N 7.58 0.18 -1.63 5.45 -1.24 -1.77 -3.32 115.58 120.82 3dlx h ASN 90 Ca -0.29 0.12 -0.62 0.00 0.71 0.00 0.00 56.30 56.22 3dlx h ASN 90 Cb 1.15 0.13 -0.13 0.00 0.73 0.00 0.00 38.32 40.19 3dlx h ASN 90 CO 0.25 0.05 -0.53 0.20 -1.29 0.00 0.00 177.43 176.11 3dlx s ASN 91 N -5.30 3.53 -0.30 1.15 -0.87 -1.26 -1.42 114.94 110.47 3dlx s ASN 91 Ca -0.13 -1.63 0.09 0.00 -1.57 0.00 0.00 52.86 49.63 3dlx s ASN 91 Cb 0.21 0.41 0.54 0.00 -0.02 0.00 0.00 41.25 42.39 3dlx s ASN 91 CO 0.76 -0.84 1.54 0.00 -2.57 0.00 0.00 177.10 175.99 3dlx n ALA 92 N -1.08 4.34 -0.89 0.60 0.00 -1.26 -4.91 120.51 117.32 3dlx n ALA 92 Ca -0.12 -2.97 0.00 0.00 0.00 0.00 0.00 53.44 50.34 3dlx n ALA 92 Cb 0.66 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3dlx n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlx n GLY 93 N -1.02 1.74 3.72 0.00 0.00 -1.26 -3.08 105.19 105.30 3dlx n GLY 93 Ca 0.36 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3dlx n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dlx s VAL 94 N 0.00 1.21 0.14 1.61 -7.23 -0.97 -4.69 120.40 110.48 3dlx s VAL 94 Ca 0.00 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.86 3dlx s VAL 94 Cb 0.00 -2.29 -0.07 0.00 0.56 0.00 0.00 36.38 34.58 3dlx s VAL 94 CO 0.00 0.00 1.55 0.44 -0.31 0.00 0.00 175.10 176.78 3dlx h ASP 95 N 1.45 -1.80 -0.42 4.85 3.32 -1.86 -3.04 116.42 118.91 3dlx h ASP 95 Ca -0.43 0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3dlx h ASP 95 Cb 1.30 0.76 0.00 0.00 0.22 0.00 0.00 39.33 41.61 3dlx h ASP 95 CO 0.73 -0.38 0.00 -0.46 -1.72 0.00 0.00 179.24 177.42 3dlx n ASN 96 N -5.37 2.96 -3.57 6.45 0.23 -1.26 -4.01 115.26 110.69 3dlx n ASN 96 Ca -0.02 -2.20 -0.16 0.00 -0.53 0.00 0.00 54.58 51.68 3dlx n ASN 96 Cb 0.34 -0.41 -0.06 0.00 -2.08 0.00 0.00 39.78 37.57 3dlx n ASN 96 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 3dlx s PHE 97 N -1.63 -0.51 0.00 -2.53 5.36 -1.15 -4.82 117.98 112.70 3dlx s PHE 97 Ca 0.32 0.75 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 3dlx s PHE 97 Cb 0.19 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 43.22 3dlx s PHE 97 CO 0.17 -0.60 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 3dlx n GLY 98 N 0.74 0.70 0.31 13.12 0.00 -1.26 -2.29 105.19 116.49 3dlx n GLY 98 Ca -0.19 -0.78 0.18 0.00 0.00 0.00 0.00 46.02 45.24 3dlx n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dlx h LEU 99 N 0.00 0.00 -1.92 0.99 5.85 -1.88 -1.84 115.31 116.51 3dlx h LEU 99 Ca 0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3dlx h LEU 99 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3dlx h LEU 99 CO 0.00 0.00 0.26 1.23 -0.34 0.00 0.00 178.44 179.59 3dlx h GLY 100 N 0.00 0.12 1.76 3.75 0.00 -1.46 -0.75 103.07 106.49 3dlx h GLY 100 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3dlx h GLY 100 CO 0.00 0.02 -0.32 1.41 0.00 0.00 0.00 176.54 177.66 3dlx h LEU 101 N 0.09 0.28 0.00 3.11 3.38 -1.46 -1.85 115.31 118.86 3dlx h LEU 101 Ca 0.18 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3dlx h LEU 101 Cb 0.58 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3dlx h LEU 101 CO -0.02 0.60 -0.65 -0.07 0.09 0.00 0.00 178.44 178.39 3dlx h LEU 102 N 0.25 0.00 -0.44 1.67 3.38 -1.33 -2.99 115.31 115.84 3dlx h LEU 102 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 3dlx h LEU 102 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3dlx h LEU 102 CO 0.05 0.58 -0.62 -0.07 0.09 0.00 0.00 178.44 178.47 3dlx h LEU 103 N 0.00 0.63 -1.26 1.67 3.38 -1.34 -0.84 115.31 117.55 3dlx h LEU 103 Ca -0.02 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 3dlx h LEU 103 Cb 1.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3dlx h LEU 103 CO 0.07 1.09 -0.27 0.03 0.09 0.00 0.00 178.44 179.46 3dlx h ARG 104 N 0.41 0.16 -0.31 1.13 2.47 -1.33 -2.10 114.38 114.81 3dlx h ARG 104 Ca -0.01 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3dlx h ARG 104 Cb 1.18 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 3dlx h ARG 104 CO 0.12 0.42 0.00 -1.13 0.56 0.00 0.00 179.97 179.94 3dlx n SER 105 N -4.17 2.46 -2.76 7.04 3.41 -1.13 -4.95 113.62 113.53 3dlx n SER 105 Ca -0.01 -1.87 -0.19 0.00 -0.26 0.00 0.00 58.87 56.53 3dlx n SER 105 Cb 0.36 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3dlx n SER 105 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3dlx n LYS 106 N 0.84 -5.02 0.00 4.33 4.76 -0.79 -4.89 118.16 117.40 3dlx n LYS 106 Ca 0.17 0.75 0.11 0.00 -2.87 0.00 0.00 58.31 56.47 3dlx n LYS 106 Cb 0.44 -5.35 0.02 0.00 -1.84 0.00 0.00 35.03 28.30 3dlx n LYS 106 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3dlx n GLN 107 N -3.78 0.29 -4.67 1.97 6.02 -0.36 -4.69 117.38 112.15 3dlx n GLN 107 Ca -0.06 -0.23 -0.33 0.00 -0.01 0.00 0.00 57.00 56.37 3dlx n GLN 107 Cb 0.59 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 3dlx n GLN 107 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3dlx s ILE 108 N -2.86 3.46 -0.15 5.09 1.01 -1.24 -2.40 121.20 124.09 3dlx s ILE 108 Ca 0.12 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3dlx s ILE 108 Cb 0.17 -2.43 -0.12 0.00 0.01 0.00 0.00 42.46 40.09 3dlx s ILE 108 CO 0.75 0.56 -0.10 1.17 0.00 0.00 0.00 174.94 177.32 3dlx n LYS 109 N 2.80 0.73 -4.14 2.79 4.81 -0.16 -4.84 118.16 120.15 3dlx n LYS 109 Ca -0.18 0.07 -0.17 0.00 -0.87 0.00 0.00 58.31 57.16 3dlx n LYS 109 Cb 0.53 -1.32 -0.15 0.00 0.02 0.00 0.00 35.03 34.10 3dlx n LYS 109 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3dlx s ARG 110 N -2.32 0.53 -0.09 1.64 3.52 -1.08 -1.41 118.95 119.74 3dlx s ARG 110 Ca -0.18 -0.13 -0.02 0.00 -0.13 0.00 0.00 55.73 55.27 3dlx s ARG 110 Cb 0.05 -0.56 -0.03 0.00 -1.56 0.00 0.00 34.95 32.85 3dlx s ARG 110 CO 0.40 0.02 -0.00 -1.64 -0.81 0.00 0.00 175.30 173.27 3dlx s MET 111 N 0.36 3.02 -0.27 5.12 -1.94 -0.36 -0.07 119.30 125.15 3dlx s MET 111 Ca -0.04 -0.42 0.02 0.00 -1.71 0.00 0.00 55.69 53.54 3dlx s MET 111 Cb -0.08 -2.79 0.06 0.00 2.01 0.00 0.00 34.83 34.03 3dlx s MET 111 CO -0.00 0.67 -0.09 0.08 -0.01 0.00 0.00 175.02 175.67 3dlx s VAL 112 N -0.80 2.29 0.05 -6.03 1.01 0.20 -0.91 120.40 116.21 3dlx s VAL 112 Ca 0.12 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.32 3dlx s VAL 112 Cb -0.11 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3dlx s VAL 112 CO 0.02 -0.07 0.32 -0.44 0.00 0.00 0.00 175.10 174.94 3dlx s SER 113 N 1.12 -0.15 -0.10 3.32 0.01 -0.93 -1.46 113.70 115.51 3dlx s SER 113 Ca -0.08 -0.19 0.16 0.00 1.31 0.00 0.00 55.95 57.16 3dlx s SER 113 Cb -0.20 0.38 -0.23 0.00 0.21 0.00 0.00 66.02 66.17 3dlx s SER 113 CO -0.05 -0.64 0.42 -1.54 0.41 0.00 0.00 173.24 171.84 3dlx n SER 114 N 0.48 0.45 -3.68 2.44 3.41 -0.51 -0.76 113.62 115.45 3dlx n SER 114 Ca -0.18 0.21 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 3dlx n SER 114 Cb 0.60 0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 64.98 3dlx n SER 114 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3dlx s TYR 115 N -2.64 -0.68 -0.06 7.33 5.04 -1.03 -1.45 117.35 123.87 3dlx s TYR 115 Ca -0.07 1.39 0.09 0.00 -2.44 0.00 0.00 57.07 56.04 3dlx s TYR 115 Cb 0.07 0.29 0.14 0.00 0.35 0.00 0.00 41.96 42.81 3dlx s TYR 115 CO 0.83 -0.39 1.07 1.33 -1.34 0.00 0.00 175.55 177.05 3dlx n VAL 116 N 4.64 0.86 -1.40 3.14 0.24 0.10 -4.00 118.33 121.91 3dlx n VAL 116 Ca -0.18 -1.04 -0.29 0.00 -2.04 0.00 0.00 64.34 60.78 3dlx n VAL 116 Cb 0.53 0.17 0.19 0.00 -1.47 0.00 0.00 33.84 33.26 3dlx n VAL 116 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3dlx s GLY 117 N -1.86 1.61 -1.47 7.63 0.00 -1.26 -4.37 107.32 107.60 3dlx s GLY 117 Ca 0.15 -0.76 -0.05 0.00 0.00 0.00 0.00 44.72 44.05 3dlx s GLY 117 CO 0.01 -0.05 0.68 1.18 0.00 0.00 0.00 173.10 174.92 3dlx n GLU 118 N -4.16 -5.22 -3.37 2.90 4.71 -1.26 -4.83 120.64 109.41 3dlx n GLU 118 Ca 0.10 0.87 -0.16 0.00 -0.01 0.00 0.00 57.16 57.96 3dlx n GLU 118 Cb 0.59 -5.69 -0.08 0.00 -1.01 0.00 0.00 31.44 25.25 3dlx n GLU 118 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 3dlx s ASN 119 N -2.82 1.27 0.47 1.62 3.84 -1.26 -4.13 114.94 113.93 3dlx s ASN 119 Ca 0.34 -1.15 0.14 0.00 0.21 0.00 0.00 52.86 52.40 3dlx s ASN 119 Cb -0.15 0.60 1.12 0.00 -0.55 0.00 0.00 41.25 42.27 3dlx s ASN 119 CO 0.42 -0.32 2.07 0.00 -2.79 0.00 0.00 177.10 176.48 3dlx h ALA 120 N 7.62 1.98 0.03 1.71 0.00 -1.94 -2.30 119.26 126.36 3dlx h ALA 120 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3dlx h ALA 120 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3dlx h ALA 120 CO 0.26 -0.03 -1.01 1.49 0.00 0.00 0.00 179.25 179.95 3dlx h GLU 121 N 0.25 0.40 0.19 0.00 4.57 -1.96 -1.86 114.58 116.17 3dlx h GLU 121 Ca 0.13 -0.47 -0.01 0.00 -1.18 0.00 0.00 59.36 57.83 3dlx h GLU 121 Cb 0.21 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 3dlx h GLU 121 CO -0.02 1.15 -0.09 0.35 -1.18 0.00 0.00 179.01 179.21 3dlx h PHE 122 N 0.21 -0.24 -0.61 0.92 3.04 -1.86 -2.28 116.94 116.12 3dlx h PHE 122 Ca -0.10 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 61.97 3dlx h PHE 122 Cb 1.67 0.08 -0.09 0.00 2.56 0.00 0.00 35.95 40.16 3dlx h PHE 122 CO 0.06 -0.13 0.08 1.49 -2.02 0.00 0.00 178.31 177.79 3dlx h GLU 123 N -0.27 0.19 -0.45 1.11 4.81 -1.38 0.57 114.58 119.16 3dlx h GLU 123 Ca -0.03 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 3dlx h GLU 123 Cb 0.21 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3dlx h GLU 123 CO 0.04 0.13 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.36 3dlx h ARG 124 N 0.20 0.75 0.04 1.92 2.43 -1.29 -0.31 114.38 118.11 3dlx h ARG 124 Ca 0.32 -0.19 -0.27 0.00 -0.81 0.00 0.00 59.98 59.02 3dlx h ARG 124 Cb 0.50 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3dlx h ARG 124 CO -0.46 0.76 -1.09 1.96 -1.51 0.00 0.00 179.97 179.64 3dlx h GLN 125 N 0.70 0.67 0.07 0.20 4.20 -0.85 -3.05 115.11 117.05 3dlx h GLN 125 Ca 0.14 -0.77 -0.00 0.00 0.06 0.00 0.00 58.65 58.07 3dlx h GLN 125 Cb 0.43 0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3dlx h GLN 125 CO 0.02 1.34 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.56 3dlx h TYR 126 N 0.34 -0.09 0.00 2.96 3.20 -0.82 0.54 116.97 123.10 3dlx h TYR 126 Ca -0.15 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 3dlx h TYR 126 Cb 1.75 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.04 3dlx h TYR 126 CO 0.11 0.16 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.59 3dlx h LEU 127 N -0.33 0.00 -1.76 2.82 3.38 -1.19 -2.97 115.31 115.25 3dlx h LEU 127 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dlx h LEU 127 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3dlx h LEU 127 CO 0.02 0.14 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 3dlx n SER 128 N -3.28 2.71 0.00 -0.43 3.41 -1.15 -4.46 113.62 110.42 3dlx n SER 128 Ca 0.00 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3dlx n SER 128 Cb 0.38 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3dlx n SER 128 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dlx n GLY 129 N 1.33 0.68 0.10 5.00 0.00 -1.08 -4.51 105.19 106.72 3dlx n GLY 129 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 3dlx n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dlx h GLU 130 N 2.16 0.00 -3.78 1.61 5.08 -0.18 -3.46 114.58 116.01 3dlx h GLU 130 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 3dlx h GLU 130 Cb 0.00 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 28.92 3dlx h GLU 130 CO 0.00 0.00 -0.75 -1.17 -1.00 0.00 0.00 179.01 176.09 3dlx s LEU 131 N -4.66 1.31 0.17 1.33 2.96 -0.79 -4.92 118.68 114.07 3dlx s LEU 131 Ca 0.08 -0.03 -0.17 0.00 -0.22 0.00 0.00 54.13 53.79 3dlx s LEU 131 Cb 0.12 -0.21 -0.07 0.00 0.50 0.00 0.00 46.19 46.52 3dlx s LEU 131 CO 0.66 -0.08 0.61 -1.61 -1.32 0.00 0.00 176.35 174.62 3dlx s GLU 132 N 0.83 4.10 -0.11 1.98 2.02 -0.50 -4.45 118.70 122.57 3dlx s GLU 132 Ca -0.08 0.65 -0.03 0.00 0.02 0.00 0.00 54.97 55.52 3dlx s GLU 132 Cb -0.12 -2.94 0.05 0.00 0.10 0.00 0.00 34.13 31.22 3dlx s GLU 132 CO -0.01 0.46 0.13 0.08 0.02 0.00 0.00 175.26 175.94 3dlx s VAL 133 N -1.45 -0.20 -0.59 2.63 1.01 -0.19 -1.23 120.40 120.39 3dlx s VAL 133 Ca 0.39 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.36 3dlx s VAL 133 Cb -0.16 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 35.91 3dlx s VAL 133 CO 0.20 0.03 0.88 -1.61 0.00 0.00 0.00 175.10 174.60 3dlx s GLU 134 N 2.24 3.20 -0.23 2.72 2.02 -0.09 -4.21 118.70 124.35 3dlx s GLU 134 Ca 0.04 -0.64 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 3dlx s GLU 134 Cb -0.13 -4.14 -0.00 0.00 0.10 0.00 0.00 34.13 29.96 3dlx s GLU 134 CO -0.07 -1.57 1.23 -0.51 0.02 0.00 0.00 175.26 174.37 3dlx s LEU 135 N 3.70 4.05 -0.07 1.80 1.43 -1.26 -2.19 118.68 126.14 3dlx s LEU 135 Ca 0.24 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.78 3dlx s LEU 135 Cb -0.16 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.54 3dlx s LEU 135 CO 0.14 -0.87 -0.09 -0.89 0.23 0.00 0.00 176.35 174.87 3dlx s THR 136 N 3.78 0.95 0.24 5.49 2.01 0.06 -4.98 115.64 123.20 3dlx s THR 136 Ca 0.53 -0.33 -0.31 0.00 0.31 0.00 0.00 61.69 61.90 3dlx s THR 136 Cb -0.18 -0.92 -0.14 0.00 0.01 0.00 0.00 72.50 71.27 3dlx s THR 136 CO 0.17 0.33 1.27 -2.65 -0.69 0.00 0.00 174.62 173.04 3dlx n PRO 137 N 4.23 1.71 -0.29 4.92 -0.02 -1.26 -3.48 135.00 140.81 3dlx n PRO 137 Ca -0.20 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.00 3dlx n PRO 137 Cb 0.51 -2.17 0.35 0.00 -0.02 0.00 0.00 33.50 32.18 3dlx n PRO 137 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3dlx h GLN 138 N 3.45 0.72 -0.00 -0.52 4.15 -1.41 0.98 115.11 122.48 3dlx h GLN 138 Ca -0.44 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 58.74 3dlx h GLN 138 Cb 1.30 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.82 3dlx h GLN 138 CO 0.70 0.48 -0.88 0.78 -1.93 0.00 0.00 178.83 177.98 3dlx h GLY 139 N 0.74 0.28 1.33 2.39 0.00 -1.88 -1.49 103.07 104.44 3dlx h GLY 139 Ca 0.47 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 3dlx h GLY 139 CO -0.23 0.44 -0.38 -0.84 0.00 0.00 0.00 176.54 175.53 3dlx h THR 140 N 0.14 1.29 -0.22 4.70 2.02 -1.65 -0.66 112.91 118.52 3dlx h THR 140 Ca -0.05 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.60 3dlx h THR 140 Cb 1.51 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 3dlx h THR 140 CO 0.14 0.50 0.11 0.25 0.37 0.00 0.00 175.52 176.89 3dlx h LEU 141 N 0.61 0.16 -0.63 2.58 5.85 -0.74 0.26 115.31 123.39 3dlx h LEU 141 Ca 0.05 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 3dlx h LEU 141 Cb 0.92 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 3dlx h LEU 141 CO 0.08 0.12 -0.16 0.00 -0.34 0.00 0.00 178.44 178.15 3dlx h ALA 142 N 1.11 0.83 0.05 1.25 0.00 -1.17 -2.35 119.26 118.98 3dlx h ALA 142 Ca 0.09 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 3dlx h ALA 142 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3dlx h ALA 142 CO -0.06 0.65 -1.06 1.49 0.00 0.00 0.00 179.25 180.26 3dlx h GLU 143 N 0.80 0.12 -0.44 0.00 4.57 -1.00 -1.60 114.58 117.04 3dlx h GLU 143 Ca 0.12 -0.19 -0.12 0.00 -1.18 0.00 0.00 59.36 57.99 3dlx h GLU 143 Cb 0.70 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3dlx h GLU 143 CO 0.05 1.07 -0.20 0.00 -1.18 0.00 0.00 179.01 178.75 3dlx h ARG 144 N 0.04 0.87 -0.26 1.92 3.08 -0.40 0.49 114.38 120.12 3dlx h ARG 144 Ca -0.06 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 3dlx h ARG 144 Cb 1.80 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 3dlx h ARG 144 CO 0.16 0.99 0.05 0.82 -1.07 0.00 0.00 179.97 180.91 3dlx h ILE 145 N 0.76 1.23 -0.53 2.04 2.04 -1.47 0.89 117.51 122.46 3dlx h ILE 145 Ca 0.11 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 3dlx h ILE 145 Cb 0.74 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3dlx h ILE 145 CO 0.06 0.24 0.33 -0.09 0.00 0.00 0.00 178.15 178.69 3dlx h ARG 146 N 0.25 0.71 -0.77 2.37 2.43 -1.09 -2.05 114.38 116.23 3dlx h ARG 146 Ca 0.08 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3dlx h ARG 146 Cb 0.32 -0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 3dlx h ARG 146 CO 0.00 0.50 0.45 0.00 -1.51 0.00 0.00 179.97 179.41 3dlx h ALA 147 N 1.17 1.06 -0.94 2.80 0.00 -0.86 -2.14 119.26 120.35 3dlx h ALA 147 Ca 0.19 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3dlx h ALA 147 Cb -0.03 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3dlx h ALA 147 CO -0.04 0.13 0.61 0.78 0.00 0.00 0.00 179.25 180.73 3dlx h GLY 148 N 0.80 1.40 2.00 0.00 0.00 -0.65 -1.75 103.07 104.87 3dlx h GLY 148 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3dlx h GLY 148 CO -0.20 0.27 0.00 -1.33 0.00 0.00 0.00 176.54 175.28 3dlx h GLY 149 N 1.03 0.00 -1.61 4.60 0.00 -0.85 -3.36 103.07 102.88 3dlx h GLY 149 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3dlx h GLY 149 CO -0.17 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.37 3dlx n ALA 150 N -2.00 2.36 -1.58 3.60 0.00 -0.72 -4.85 120.51 117.32 3dlx n ALA 150 Ca 0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 3dlx n ALA 150 Cb 0.41 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 3dlx n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlx n GLY 151 N 0.96 0.72 3.38 0.00 0.00 -0.94 -5.02 105.19 104.29 3dlx n GLY 151 Ca 0.13 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3dlx n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dlx s VAL 152 N -2.38 4.72 -0.11 1.61 1.01 -0.81 -4.98 120.40 119.46 3dlx s VAL 152 Ca 0.00 -0.90 0.22 0.00 0.00 0.00 0.00 61.98 61.30 3dlx s VAL 152 Cb 0.00 -3.68 0.23 0.00 0.00 0.00 0.00 36.38 32.93 3dlx s VAL 152 CO 0.00 -0.31 1.67 1.55 0.00 0.00 0.00 175.10 178.01 3dlx h PRO 153 N 8.50 0.00 -2.62 2.72 0.13 -1.96 -3.37 132.00 135.39 3dlx h PRO 153 Ca -0.26 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 3dlx h PRO 153 Cb 1.10 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.07 3dlx h PRO 153 CO 0.71 0.22 0.08 0.00 -0.23 0.00 0.00 178.00 178.78 3dlx s ALA 154 N -3.32 -1.44 0.15 -0.56 0.00 -1.26 -1.03 121.76 114.29 3dlx s ALA 154 Ca 0.03 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 3dlx s ALA 154 Cb 0.08 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3dlx s ALA 154 CO 0.67 -0.50 0.31 -0.59 0.00 0.00 0.00 175.76 175.65 3dlx s PHE 155 N -2.26 0.23 -0.08 0.00 -0.12 -0.58 -4.96 117.98 110.21 3dlx s PHE 155 Ca -0.06 -0.60 -0.10 0.00 -0.05 0.00 0.00 56.93 56.12 3dlx s PHE 155 Cb -0.01 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.37 3dlx s PHE 155 CO -0.00 -0.72 0.24 0.71 -0.05 0.00 0.00 175.22 175.40 3dlx s TYR 156 N -3.92 3.64 0.04 3.49 2.02 -1.26 -1.34 117.35 120.01 3dlx s TYR 156 Ca 0.13 0.69 0.04 0.00 -0.37 0.00 0.00 57.07 57.55 3dlx s TYR 156 Cb 0.03 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 3dlx s TYR 156 CO -0.03 0.68 -0.11 -0.08 -1.57 0.00 0.00 175.55 174.44 3dlx s THR 157 N -0.97 0.85 -0.19 -0.71 -1.32 -0.50 -4.92 115.64 107.87 3dlx s THR 157 Ca 0.18 -1.02 0.29 0.00 -1.21 0.00 0.00 61.69 59.93 3dlx s THR 157 Cb -0.14 -0.82 0.32 0.00 -1.51 0.00 0.00 72.50 70.36 3dlx s THR 157 CO 0.07 -0.17 1.85 1.55 -2.21 0.00 0.00 174.62 175.71 3dlx h PRO 158 N 4.75 0.00 -6.41 7.08 0.13 -1.87 0.11 132.00 135.78 3dlx h PRO 158 Ca -0.37 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.22 3dlx h PRO 158 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dlx h PRO 158 CO 0.43 0.00 0.71 0.99 -0.23 0.00 0.00 178.00 179.90 3dlx s THR 159 N -3.49 3.86 0.00 1.56 2.01 -1.26 -2.88 115.64 115.45 3dlx s THR 159 Ca 0.03 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.31 3dlx s THR 159 Cb 0.09 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3dlx s THR 159 CO 0.47 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.05 3dlx n GLY 160 N 3.44 1.55 3.62 4.40 0.00 -1.26 -4.83 105.19 112.11 3dlx n GLY 160 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.65 3dlx n GLY 160 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3dlx n TYR 161 N -2.00 1.76 -0.61 1.61 9.36 -1.14 -2.09 117.16 124.05 3dlx n TYR 161 Ca 0.00 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.74 3dlx n TYR 161 Cb 0.00 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.32 3dlx n TYR 161 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dlx n GLY 162 N 2.52 0.76 3.50 2.98 0.00 -1.26 -4.51 105.19 109.17 3dlx n GLY 162 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3dlx n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dlx s THR 163 N -2.74 0.83 0.48 2.61 -4.23 -0.89 -4.72 115.64 106.98 3dlx s THR 163 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 3dlx s THR 163 Cb 0.00 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.65 3dlx s THR 163 CO 0.00 0.00 2.05 -0.07 -0.54 0.00 0.00 174.62 176.06 3dlx h LEU 164 N 1.90 0.20 -0.28 4.79 3.38 -1.81 0.02 115.31 123.51 3dlx h LEU 164 Ca -0.38 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3dlx h LEU 164 Cb 1.26 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 3dlx h LEU 164 CO 0.62 0.13 -0.19 0.58 0.09 0.00 0.00 178.44 179.67 3dlx h VAL 165 N 0.23 0.47 0.02 1.22 2.07 -1.85 0.28 116.25 118.68 3dlx h VAL 165 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 3dlx h VAL 165 Cb 0.36 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3dlx h VAL 165 CO -0.03 0.00 -0.01 -0.61 0.02 0.00 0.00 177.57 176.94 3dlx h GLN 166 N -0.17 -0.03 0.00 1.57 -0.00 -1.25 -3.33 115.11 111.90 3dlx h GLN 166 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 3dlx h GLN 166 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.89 3dlx h GLN 166 CO -0.39 0.61 0.00 0.93 0.00 0.00 0.00 178.83 179.99 3dlx h GLU 167 N -0.70 0.00 0.00 1.69 5.08 -1.06 -0.17 114.58 119.42 3dlx h GLU 167 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dlx h GLU 167 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3dlx h GLU 167 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3dlx n GLY 168 N 1.08 -1.12 0.20 -3.84 0.00 0.99 -4.06 105.19 98.42 3dlx n GLY 168 Ca 0.05 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3dlx n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlx n GLY 169 N -1.35 0.80 3.73 -0.02 0.00 0.21 -4.66 105.19 103.91 3dlx n GLY 169 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3dlx n GLY 169 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dlx s SER 170 N -2.38 6.88 0.01 1.61 0.15 -1.26 -4.70 113.70 114.01 3dlx s SER 170 Ca 0.00 2.39 -0.30 0.00 0.70 0.00 0.00 55.95 58.74 3dlx s SER 170 Cb 0.00 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.65 3dlx s SER 170 CO 0.00 -0.56 1.34 -2.84 1.20 0.00 0.00 173.24 172.38 3dlx s PRO 171 N 0.13 4.32 -0.19 5.44 0.02 -1.26 -0.45 135.00 143.01 3dlx s PRO 171 Ca 0.58 1.90 0.05 0.00 0.02 0.00 0.00 61.00 63.55 3dlx s PRO 171 Cb -0.37 -3.51 -0.15 0.00 0.02 0.00 0.00 34.50 30.50 3dlx s PRO 171 CO 0.37 -0.50 -0.11 -0.89 -0.33 0.00 0.00 177.00 175.53 3dlx n ILE 172 N 4.49 1.12 -3.82 2.83 5.41 0.95 -4.72 119.36 125.62 3dlx n ILE 172 Ca 0.12 -0.50 -0.14 0.00 1.00 0.00 0.00 62.75 63.23 3dlx n ILE 172 Cb 0.44 -1.03 -0.15 0.00 -0.71 0.00 0.00 39.64 38.19 3dlx n ILE 172 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3dlx s LYS 173 N -2.39 -0.00 0.11 0.38 2.20 -0.65 -1.02 119.74 118.36 3dlx s LYS 173 Ca -0.21 0.11 0.02 0.00 -0.36 0.00 0.00 55.97 55.53 3dlx s LYS 173 Cb 0.06 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 3dlx s LYS 173 CO 0.51 -0.10 0.18 0.71 -0.36 0.00 0.00 175.35 176.28 3dlx s TYR 174 N 0.66 3.35 0.39 4.03 2.02 -1.26 -0.27 117.35 126.27 3dlx s TYR 174 Ca -0.06 0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 56.74 3dlx s TYR 174 Cb -0.08 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.79 3dlx s TYR 174 CO -0.02 0.54 0.64 -0.80 -1.57 0.00 0.00 175.55 174.34 3dlx s ASN 175 N -2.75 6.31 0.38 2.29 0.01 0.31 -3.42 114.94 118.07 3dlx s ASN 175 Ca 0.32 0.67 0.05 0.00 -0.71 0.00 0.00 52.86 53.19 3dlx s ASN 175 Cb -0.12 -2.13 0.74 0.00 0.41 0.00 0.00 41.25 40.16 3dlx s ASN 175 CO 0.26 -0.39 2.00 0.11 -1.51 0.00 0.00 177.10 177.57 3dlx h LYS 176 N 0.69 0.60 0.00 -0.60 1.57 -1.79 -1.12 116.57 115.92 3dlx h LYS 176 Ca -0.48 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3dlx h LYS 176 Cb 1.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3dlx h LYS 176 CO 0.62 0.45 0.00 -0.40 -0.57 0.00 0.00 179.45 179.55 3dlx n ASP 177 N -4.41 0.46 0.00 0.86 3.85 -1.26 -4.81 116.55 111.24 3dlx n ASP 177 Ca 0.03 0.66 0.00 0.00 -0.71 0.00 0.00 54.79 54.77 3dlx n ASP 177 Cb 0.11 -0.74 0.00 0.00 -1.35 0.00 0.00 41.12 39.14 3dlx n ASP 177 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3dlx n GLY 178 N -0.68 0.58 3.81 6.12 0.00 -0.42 -5.08 105.19 109.51 3dlx n GLY 178 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3dlx n GLY 178 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dlx s SER 179 N -2.87 4.73 -0.25 1.61 1.04 -1.26 -4.86 113.70 111.85 3dlx s SER 179 Ca 0.00 1.38 -0.12 0.00 0.48 0.00 0.00 55.95 57.69 3dlx s SER 179 Cb 0.00 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 63.93 3dlx s SER 179 CO 0.00 -1.83 0.21 -0.69 0.98 0.00 0.00 173.24 171.91 3dlx s VAL 180 N -3.13 5.32 -0.02 5.02 1.01 -1.26 -0.53 120.40 126.80 3dlx s VAL 180 Ca 0.60 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.86 3dlx s VAL 180 Cb -0.14 -3.55 -0.26 0.00 0.00 0.00 0.00 36.38 32.43 3dlx s VAL 180 CO 0.54 0.30 0.74 0.00 0.00 0.00 0.00 175.10 176.68 3dlx h ALA 181 N 7.76 0.45 -3.31 5.51 0.00 -0.89 -3.46 119.26 125.33 3dlx h ALA 181 Ca -0.37 -1.25 -0.42 0.00 0.00 0.00 0.00 54.91 52.88 3dlx h ALA 181 Cb 1.17 0.39 -0.37 0.00 0.00 0.00 0.00 17.79 18.98 3dlx h ALA 181 CO 0.64 1.31 -0.76 0.42 0.00 0.00 0.00 179.25 180.85 3dlx s ILE 182 N -2.61 0.32 0.12 0.00 1.01 -0.97 -4.95 121.20 114.13 3dlx s ILE 182 Ca -0.10 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.75 3dlx s ILE 182 Cb 0.07 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 3dlx s ILE 182 CO 0.83 0.24 -0.12 0.00 0.00 0.00 0.00 174.94 175.88 3dlx s ALA 183 N 1.76 2.89 0.78 9.38 0.00 -1.26 -0.03 121.76 135.27 3dlx s ALA 183 Ca 0.01 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 3dlx s ALA 183 Cb -0.13 -0.81 0.07 0.00 0.00 0.00 0.00 23.12 22.25 3dlx s ALA 183 CO -0.04 0.61 1.14 -1.54 0.00 0.00 0.00 175.76 175.93 3dlx s SER 184 N -2.27 4.13 0.11 0.00 1.04 0.40 -4.76 113.70 112.34 3dlx s SER 184 Ca 0.21 2.08 0.02 0.00 0.48 0.00 0.00 55.95 58.74 3dlx s SER 184 Cb -0.11 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 3dlx s SER 184 CO 0.13 -2.29 0.20 -0.54 0.98 0.00 0.00 173.24 171.71 3dlx s LYS 185 N -4.44 3.25 0.33 4.02 1.02 -1.26 -0.62 119.74 122.04 3dlx s LYS 185 Ca 0.67 -0.60 -0.28 0.00 0.02 0.00 0.00 55.97 55.77 3dlx s LYS 185 Cb -0.22 -2.90 -0.12 0.00 -0.52 0.00 0.00 37.83 34.07 3dlx s LYS 185 CO 0.51 0.56 1.37 -2.30 -0.92 0.00 0.00 175.35 174.57 3dlx n PRO 186 N -0.03 2.28 -3.16 -1.68 -0.02 -1.26 -4.17 135.00 126.97 3dlx n PRO 186 Ca -0.07 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 61.93 3dlx n PRO 186 Cb 0.53 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3dlx n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3dlx s ARG 187 N -1.67 3.63 0.16 -0.52 1.81 -0.07 -4.90 118.95 117.39 3dlx s ARG 187 Ca 0.57 0.08 -0.30 0.00 -1.72 0.00 0.00 55.73 54.36 3dlx s ARG 187 Cb -0.55 -2.56 -0.08 0.00 -0.45 0.00 0.00 34.95 31.31 3dlx s ARG 187 CO 0.60 0.10 1.24 -1.21 -0.68 0.00 0.00 175.30 175.36 3dlx s GLU 188 N -3.86 4.44 -0.12 3.54 2.02 -1.26 -4.90 118.70 118.56 3dlx s GLU 188 Ca 0.45 1.92 0.01 0.00 0.02 0.00 0.00 54.97 57.37 3dlx s GLU 188 Cb -0.10 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 3dlx s GLU 188 CO 0.33 -0.19 -0.15 0.08 0.02 0.00 0.00 175.26 175.35 3dlx s VAL 189 N 0.28 2.90 -0.00 2.63 1.01 -1.26 -1.12 120.40 124.82 3dlx s VAL 189 Ca 0.56 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3dlx s VAL 189 Cb -0.33 -2.20 -0.00 0.00 0.00 0.00 0.00 36.38 33.85 3dlx s VAL 189 CO 0.35 0.53 -0.02 -0.60 0.00 0.00 0.00 175.10 175.36 3dlx s ARG 190 N 0.28 0.20 -0.01 2.72 3.52 -0.51 -4.98 118.95 120.17 3dlx s ARG 190 Ca -0.11 -0.08 -0.22 0.00 -0.13 0.00 0.00 55.73 55.19 3dlx s ARG 190 Cb -0.16 -0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 32.98 3dlx s ARG 190 CO 0.06 0.05 0.65 -2.00 -0.81 0.00 0.00 175.30 173.25 3dlx s GLU 191 N -0.02 4.39 -0.09 5.12 -6.30 -1.26 -1.83 118.70 118.71 3dlx s GLU 191 Ca 0.01 0.83 0.00 0.00 -2.50 0.00 0.00 54.97 53.31 3dlx s GLU 191 Cb -0.01 -3.38 0.02 0.00 0.00 0.00 0.00 34.13 30.76 3dlx s GLU 191 CO -0.00 0.27 -0.06 -0.06 0.02 0.00 0.00 175.26 175.42 3dlx s PHE 192 N 0.10 1.23 -1.46 5.30 0.08 0.57 -4.88 117.98 118.93 3dlx s PHE 192 Ca 0.34 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.76 3dlx s PHE 192 Cb -0.18 -1.06 0.04 0.00 -0.57 0.00 0.00 43.02 41.25 3dlx s PHE 192 CO 0.18 -0.40 0.92 0.09 -0.10 0.00 0.00 175.22 175.91 3dlx n ASN 193 N 4.69 -5.58 -0.09 1.36 3.02 -1.26 -1.61 115.26 115.79 3dlx n ASN 193 Ca -0.15 -0.54 -0.01 0.00 -0.03 0.00 0.00 54.58 53.85 3dlx n ASN 193 Cb 0.50 -4.45 -0.01 0.00 -0.61 0.00 0.00 39.78 35.22 3dlx n ASN 193 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dlx n GLY 194 N -1.71 0.50 3.16 7.41 0.00 -1.26 -5.03 105.19 108.26 3dlx n GLY 194 Ca -0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 3dlx n GLY 194 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dlx s GLN 195 N -1.29 0.80 -0.11 1.61 0.74 -0.63 -5.14 119.66 115.64 3dlx s GLN 195 Ca 0.00 -1.00 -0.06 0.00 0.05 0.00 0.00 55.36 54.35 3dlx s GLN 195 Cb 0.00 -0.68 -0.04 0.00 1.10 0.00 0.00 33.01 33.39 3dlx s GLN 195 CO 0.00 0.14 0.12 -1.01 -0.55 0.00 0.00 175.29 173.98 3dlx s HIS 196 N -1.67 3.51 0.09 1.67 3.76 -1.26 -0.32 115.29 121.08 3dlx s HIS 196 Ca -0.00 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.37 3dlx s HIS 196 Cb -0.08 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 3dlx s HIS 196 CO 0.02 0.69 -0.04 -0.06 -0.85 0.00 0.00 174.74 174.49 3dlx s PHE 197 N -1.02 0.79 0.07 1.40 0.08 -0.76 -4.66 117.98 113.89 3dlx s PHE 197 Ca 0.15 -1.00 0.09 0.00 0.12 0.00 0.00 56.93 56.29 3dlx s PHE 197 Cb -0.12 -0.49 -0.03 0.00 -0.57 0.00 0.00 43.02 41.81 3dlx s PHE 197 CO 0.04 -0.26 -0.24 0.96 -0.10 0.00 0.00 175.22 175.62 3dlx s ILE 198 N -3.76 2.38 0.10 0.64 -4.36 0.02 -1.42 121.20 114.80 3dlx s ILE 198 Ca 0.12 -1.45 -0.29 0.00 -0.26 0.00 0.00 60.65 58.77 3dlx s ILE 198 Cb 0.06 -1.99 -0.06 0.00 1.25 0.00 0.00 42.46 41.72 3dlx s ILE 198 CO -0.05 0.26 0.94 -0.22 0.24 0.00 0.00 174.94 176.11 3dlx s LEU 199 N -1.58 4.49 -0.02 0.37 2.96 -0.28 -1.41 118.68 123.22 3dlx s LEU 199 Ca 0.14 1.75 0.05 0.00 -0.22 0.00 0.00 54.13 55.84 3dlx s LEU 199 Cb -0.10 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 3dlx s LEU 199 CO 0.05 -0.06 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.25 3dlx s GLU 200 N -0.00 1.32 0.09 1.98 0.41 -0.45 -4.55 118.70 117.50 3dlx s GLU 200 Ca 0.46 -0.56 -0.02 0.00 -0.41 0.00 0.00 54.97 54.45 3dlx s GLU 200 Cb -0.23 -1.26 -0.05 0.00 -1.78 0.00 0.00 34.13 30.82 3dlx s GLU 200 CO 0.29 0.32 0.27 -1.21 -0.49 0.00 0.00 175.26 174.44 3dlx s GLU 201 N -0.30 3.50 0.43 1.61 2.02 -1.26 -1.52 118.70 123.18 3dlx s GLU 201 Ca 0.04 -0.33 -0.23 0.00 0.02 0.00 0.00 54.97 54.48 3dlx s GLU 201 Cb -0.07 -2.97 -0.11 0.00 0.10 0.00 0.00 34.13 31.08 3dlx s GLU 201 CO -0.00 0.56 0.82 0.00 0.02 0.00 0.00 175.26 176.66 3dlx n ALA 202 N 0.18 -0.50 -3.34 5.21 0.00 -0.20 -4.78 120.51 117.07 3dlx n ALA 202 Ca -0.04 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 3dlx n ALA 202 Cb 0.51 -1.96 -0.14 0.00 0.00 0.00 0.00 19.45 17.87 3dlx n ALA 202 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dlx s ILE 203 N -1.36 3.52 0.21 0.00 1.01 0.22 -4.88 121.20 119.91 3dlx s ILE 203 Ca 0.64 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.94 3dlx s ILE 203 Cb -0.57 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 3dlx s ILE 203 CO 0.57 0.43 -0.20 0.42 0.00 0.00 0.00 174.94 176.16 3dlx s THR 204 N 1.25 2.13 0.29 2.92 -4.23 -1.26 -4.06 115.64 112.67 3dlx s THR 204 Ca 0.03 -2.11 0.11 0.00 -1.18 0.00 0.00 61.69 58.54 3dlx s THR 204 Cb -0.14 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 3dlx s THR 204 CO -0.01 -0.32 -0.14 -0.83 -0.54 0.00 0.00 174.62 172.78 3dlx s GLY 205 N -2.97 1.88 0.07 3.99 0.00 0.12 -4.97 107.32 105.44 3dlx s GLY 205 Ca 0.22 -1.86 -0.20 0.00 0.00 0.00 0.00 44.72 42.88 3dlx s GLY 205 CO 0.10 -1.92 1.48 -0.55 0.00 0.00 0.00 173.10 172.21 3dlx h ASP 206 N 2.15 0.36 -4.48 1.64 3.32 -1.64 0.02 116.42 117.79 3dlx h ASP 206 Ca -0.41 -0.34 -0.38 0.00 0.02 0.00 0.00 57.03 55.92 3dlx h ASP 206 Cb 1.26 -0.10 -0.21 0.00 0.22 0.00 0.00 39.33 40.50 3dlx h ASP 206 CO 0.61 0.61 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.62 3dlx s PHE 207 N -4.87 1.13 -0.08 4.55 0.40 -1.13 -1.40 117.98 116.57 3dlx s PHE 207 Ca -0.14 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.74 3dlx s PHE 207 Cb 0.06 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.96 3dlx s PHE 207 CO 0.74 0.03 -0.23 0.00 0.70 0.00 0.00 175.22 176.46 3dlx s ALA 208 N -1.52 2.23 -0.33 5.36 0.00 -0.42 -1.13 121.76 125.95 3dlx s ALA 208 Ca -0.01 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 3dlx s ALA 208 Cb -0.09 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.28 3dlx s ALA 208 CO 0.02 0.35 0.10 -0.51 0.00 0.00 0.00 175.76 175.72 3dlx s LEU 209 N 0.07 4.24 -0.04 0.00 1.43 0.60 -0.54 118.68 124.44 3dlx s LEU 209 Ca -0.10 -1.08 0.05 0.00 -1.03 0.00 0.00 54.13 51.96 3dlx s LEU 209 Cb -0.16 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 3dlx s LEU 209 CO 0.06 -0.31 -0.18 -0.69 0.23 0.00 0.00 176.35 175.46 3dlx s VAL 210 N 1.41 1.52 -0.12 -1.59 1.01 -0.14 -1.38 120.40 121.12 3dlx s VAL 210 Ca -0.01 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.17 3dlx s VAL 210 Cb -0.19 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3dlx s VAL 210 CO 0.03 0.43 -0.03 -0.75 0.00 0.00 0.00 175.10 174.78 3dlx s LYS 211 N -0.03 3.27 0.32 2.72 2.47 -1.26 -0.91 119.74 126.32 3dlx s LYS 211 Ca -0.03 -0.49 0.06 0.00 -1.56 0.00 0.00 55.97 53.96 3dlx s LYS 211 Cb -0.11 -2.82 -0.03 0.00 -1.46 0.00 0.00 37.83 33.41 3dlx s LYS 211 CO 0.02 0.48 0.26 0.00 0.16 0.00 0.00 175.35 176.27 3dlx s ALA 212 N -0.28 1.82 -0.15 3.13 0.00 -0.66 -4.89 121.76 120.73 3dlx s ALA 212 Ca 0.05 -2.03 -0.12 0.00 0.00 0.00 0.00 51.96 49.87 3dlx s ALA 212 Cb -0.12 1.46 -0.05 0.00 0.00 0.00 0.00 23.12 24.41 3dlx s ALA 212 CO 0.02 -0.65 -0.20 1.87 0.00 0.00 0.00 175.76 176.80 3dlx n TRP 213 N -0.59 0.74 -4.18 0.00 -0.00 0.04 -3.65 117.44 109.80 3dlx n TRP 213 Ca 0.07 0.32 -0.15 0.00 -0.00 0.00 0.00 57.50 57.74 3dlx n TRP 213 Cb 0.63 -0.74 -0.11 0.00 -0.00 0.00 0.00 31.31 31.09 3dlx n TRP 213 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3dlx s LYS 214 N -2.39 0.85 0.01 5.87 1.02 -1.11 -1.40 119.74 122.60 3dlx s LYS 214 Ca -0.19 -1.15 0.03 0.00 0.02 0.00 0.00 55.97 54.68 3dlx s LYS 214 Cb 0.03 -0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 36.77 3dlx s LYS 214 CO 0.28 0.09 -0.10 0.00 -0.92 0.00 0.00 175.35 174.71 3dlx s ALA 215 N -2.39 0.79 0.75 5.17 0.00 -0.70 -1.99 121.76 123.40 3dlx s ALA 215 Ca 0.05 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 3dlx s ALA 215 Cb -0.03 -0.15 0.11 0.00 0.00 0.00 0.00 23.12 23.05 3dlx s ALA 215 CO 0.00 0.16 1.06 0.16 0.00 0.00 0.00 175.76 177.14 3dlx s ASP 216 N -0.59 4.35 0.00 0.00 1.47 -0.27 -0.84 116.67 120.79 3dlx s ASP 216 Ca 0.01 0.16 0.27 0.00 1.18 0.00 0.00 52.55 54.17 3dlx s ASP 216 Cb -0.05 -0.62 1.60 0.00 -0.34 0.00 0.00 42.92 43.51 3dlx s ASP 216 CO 0.00 -1.89 1.96 0.54 0.68 0.00 0.00 175.17 176.47 3dlx n ARG 217 N -3.04 0.87 0.01 2.11 1.74 -0.84 -1.79 116.66 115.71 3dlx n ARG 217 Ca 0.11 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 3dlx n ARG 217 Cb 0.60 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.61 3dlx n ARG 217 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dlx n ALA 218 N -0.98 3.95 -0.01 7.54 0.00 -1.26 -4.95 120.51 124.80 3dlx n ALA 218 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3dlx n ALA 218 Cb 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3dlx n ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dlx n GLY 219 N 1.46 0.87 3.79 0.00 0.00 -0.74 -4.62 105.19 105.96 3dlx n GLY 219 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 3dlx n GLY 219 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dlx s ASN 220 N -2.25 6.18 -0.00 1.61 0.01 -1.26 -3.95 114.94 115.27 3dlx s ASN 220 Ca 0.00 1.99 0.01 0.00 -0.71 0.00 0.00 52.86 54.15 3dlx s ASN 220 Cb 0.00 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 3dlx s ASN 220 CO 0.00 -0.90 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.97 3dlx s VAL 221 N -1.93 0.22 0.12 1.60 1.01 0.08 -1.11 120.40 120.39 3dlx s VAL 221 Ca 0.69 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.63 3dlx s VAL 221 Cb -0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 3dlx s VAL 221 CO 0.22 0.07 -0.17 0.27 0.00 0.00 0.00 175.10 175.49 3dlx s ILE 222 N 0.00 1.53 0.10 2.22 -4.36 -0.84 -1.21 121.20 118.65 3dlx s ILE 222 Ca 0.00 -1.65 0.10 0.00 -0.26 0.00 0.00 60.65 58.84 3dlx s ILE 222 Cb -0.02 -1.54 -0.03 0.00 1.25 0.00 0.00 42.46 42.11 3dlx s ILE 222 CO -0.00 -0.25 -0.25 -0.36 0.24 0.00 0.00 174.94 174.31 3dlx s PHE 223 N -1.69 2.17 -0.18 1.37 0.08 -1.26 -0.78 117.98 117.70 3dlx s PHE 223 Ca 0.08 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 3dlx s PHE 223 Cb -0.07 -1.22 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 3dlx s PHE 223 CO 0.04 0.24 0.10 0.50 -0.10 0.00 0.00 175.22 176.00 3dlx s ARG 224 N -1.74 3.93 2.78 0.44 3.52 -1.26 -4.88 118.95 121.75 3dlx s ARG 224 Ca 0.11 -0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 3dlx s ARG 224 Cb -0.10 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3dlx s ARG 224 CO 0.04 0.38 0.00 1.63 -0.81 0.00 0.00 175.30 176.55 3dlx n LYS 225 N 3.22 0.00 -0.02 5.12 5.02 -1.26 -1.01 118.16 129.23 3dlx n LYS 225 Ca -0.17 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.16 3dlx n LYS 225 Cb 0.53 0.00 0.23 0.00 -0.02 0.00 0.00 35.03 35.77 3dlx n LYS 225 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3dlx n SER 226 N 0.76 0.28 0.00 4.39 3.41 -0.26 -3.76 113.62 118.43 3dlx n SER 226 Ca 0.00 -1.78 0.10 0.00 -0.26 0.00 0.00 58.87 56.93 3dlx n SER 226 Cb 0.00 -0.03 0.47 0.00 -0.26 0.00 0.00 64.21 64.39 3dlx n SER 226 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dlx n ALA 227 N -0.45 1.99 0.34 7.33 0.00 -0.18 -3.83 120.51 125.71 3dlx n ALA 227 Ca 0.07 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 3dlx n ALA 227 Cb 0.07 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 3dlx n ALA 227 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dlx h ARG 228 N 0.00 -0.86 0.00 0.00 2.43 -1.68 -3.38 114.38 110.89 3dlx h ARG 228 Ca 0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3dlx h ARG 228 Cb 0.27 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3dlx h ARG 228 CO 0.00 -0.57 0.00 0.27 -1.51 0.00 0.00 179.97 178.16 3dlx n ASN 229 N -4.94 0.00 0.06 -3.80 0.23 -1.25 -0.63 115.26 104.92 3dlx n ASN 229 Ca -0.11 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.06 3dlx n ASN 229 Cb 0.35 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.30 3dlx n ASN 229 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3dlx n PHE 230 N 2.47 0.52 -0.25 -2.53 3.01 -1.26 -1.44 117.46 117.98 3dlx n PHE 230 Ca 0.00 0.15 0.02 0.00 1.01 0.00 0.00 57.45 58.63 3dlx n PHE 230 Cb 0.00 -0.65 0.15 0.00 -0.01 0.00 0.00 39.48 38.97 3dlx n PHE 230 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3dlx h ASN 231 N 0.00 0.46 0.34 4.37 2.35 -1.16 -0.71 115.58 121.22 3dlx h ASN 231 Ca 0.00 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3dlx h ASN 231 Cb 0.70 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3dlx h ASN 231 CO 0.00 0.25 -0.16 0.25 -1.65 0.00 0.00 177.43 176.12 3dlx h LEU 232 N 0.60 -0.38 -1.36 1.61 6.46 -1.68 -2.83 115.31 117.72 3dlx h LEU 232 Ca 0.36 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 3dlx h LEU 232 Cb 0.40 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 3dlx h LEU 232 CO -0.28 0.01 0.27 1.55 -0.62 0.00 0.00 178.44 179.37 3dlx h PRO 233 N -0.84 0.71 -0.07 5.25 0.13 -1.78 -2.81 132.00 132.59 3dlx h PRO 233 Ca -0.05 -0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.03 3dlx h PRO 233 Cb 0.53 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.51 3dlx h PRO 233 CO 0.08 0.53 0.05 0.52 -0.23 0.00 0.00 178.00 178.95 3dlx h MET 234 N 0.72 0.00 -0.01 0.86 2.86 -1.09 -2.72 114.93 115.55 3dlx h MET 234 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3dlx h MET 234 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 3dlx h MET 234 CO -0.03 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.95 3dlx n LYS 236 N -4.11 1.05 -0.04 0.00 5.02 -1.03 -4.54 118.16 114.50 3dlx n LYS 236 Ca -0.03 -0.84 0.02 0.00 -2.02 0.00 0.00 58.31 55.44 3dlx n LYS 236 Cb 0.09 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.66 3dlx n LYS 236 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dlx n ALA 237 N -0.24 2.23 -2.36 7.82 0.00 -1.05 -3.76 120.51 123.15 3dlx n ALA 237 Ca 0.09 -0.86 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 3dlx n ALA 237 Cb 0.44 -0.17 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 3dlx n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dlx s ALA 238 N -0.77 2.28 0.26 0.00 0.00 -1.25 -0.70 121.76 121.58 3dlx s ALA 238 Ca 0.08 -1.32 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 3dlx s ALA 238 Cb 0.04 -0.44 0.46 0.00 0.00 0.00 0.00 23.12 23.18 3dlx s ALA 238 CO 0.06 0.53 1.82 0.93 0.00 0.00 0.00 175.76 179.10 3dlx h GLU 239 N 4.52 0.86 -4.23 0.00 5.08 -0.89 -3.39 114.58 116.54 3dlx h GLU 239 Ca -0.48 -0.05 -0.55 0.00 -1.00 0.00 0.00 59.36 57.28 3dlx h GLU 239 Cb 1.15 -0.19 -0.37 0.00 0.50 0.00 0.00 28.75 29.83 3dlx h GLU 239 CO 0.42 0.57 -0.80 0.99 -1.00 0.00 0.00 179.01 179.19 3dlx s THR 240 N -6.00 1.14 -0.18 1.13 2.01 -0.49 -5.02 115.64 108.23 3dlx s THR 240 Ca -0.12 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.23 3dlx s THR 240 Cb 0.20 -1.26 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 3dlx s THR 240 CO 0.79 0.21 0.11 0.42 -0.69 0.00 0.00 174.62 175.46 3dlx s THR 241 N 1.63 5.19 -0.19 -0.82 -4.23 -1.26 -1.30 115.64 114.67 3dlx s THR 241 Ca 0.02 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 3dlx s THR 241 Cb -0.14 -3.34 0.01 0.00 1.34 0.00 0.00 72.50 70.36 3dlx s THR 241 CO -0.08 0.47 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.64 3dlx s VAL 242 N 0.15 2.53 -0.13 2.29 1.01 0.30 -1.13 120.40 125.43 3dlx s VAL 242 Ca 0.07 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3dlx s VAL 242 Cb -0.12 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3dlx s VAL 242 CO -0.00 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 3dlx s VAL 243 N 1.27 2.56 -0.15 2.92 1.01 0.09 -0.96 120.40 127.13 3dlx s VAL 243 Ca 0.04 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3dlx s VAL 243 Cb -0.14 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3dlx s VAL 243 CO -0.08 0.54 0.04 -1.83 0.00 0.00 0.00 175.10 173.77 3dlx s GLU 244 N 0.48 3.70 0.25 2.72 -1.05 -0.08 -0.90 118.70 123.82 3dlx s GLU 244 Ca -0.12 -0.36 0.09 0.00 -0.15 0.00 0.00 54.97 54.42 3dlx s GLU 244 Cb -0.16 -3.09 -0.05 0.00 -0.44 0.00 0.00 34.13 30.38 3dlx s GLU 244 CO 0.05 0.40 -0.14 0.14 0.95 0.00 0.00 175.26 176.66 3dlx s VAL 245 N 0.00 1.95 -0.14 1.83 -7.23 -0.23 -1.65 120.40 114.93 3dlx s VAL 245 Ca 0.05 -2.25 0.19 0.00 -1.81 0.00 0.00 61.98 58.16 3dlx s VAL 245 Cb -0.12 -2.23 -0.14 0.00 0.56 0.00 0.00 36.38 34.44 3dlx s VAL 245 CO 0.01 -0.46 0.76 -0.62 -0.31 0.00 0.00 175.10 174.49 3dlx n GLU 246 N -0.51 0.63 -3.82 4.82 1.02 -0.49 -0.97 120.64 121.32 3dlx n GLU 246 Ca -0.06 0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 3dlx n GLU 246 Cb 0.61 -1.75 -0.13 0.00 -0.02 0.00 0.00 31.44 30.14 3dlx n GLU 246 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3dlx s GLU 247 N -3.06 0.11 -0.16 3.49 2.12 -1.08 -4.84 118.70 115.28 3dlx s GLU 247 Ca -0.04 0.19 -0.03 0.00 0.36 0.00 0.00 54.97 55.45 3dlx s GLU 247 Cb 0.09 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 3dlx s GLU 247 CO 0.82 -0.05 -0.05 0.42 -0.54 0.00 0.00 175.26 175.86 3dlx s ILE 248 N 0.32 3.69 0.30 -3.70 1.01 -1.26 -1.72 121.20 119.85 3dlx s ILE 248 Ca -0.02 -0.43 0.08 0.00 0.00 0.00 0.00 60.65 60.28 3dlx s ILE 248 Cb -0.03 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.76 3dlx s ILE 248 CO -0.01 0.49 -0.07 0.68 0.00 0.00 0.00 174.94 176.02 3dlx s VAL 249 N 0.49 1.84 0.52 2.92 -7.23 -0.02 -4.97 120.40 113.95 3dlx s VAL 249 Ca -0.04 -2.15 -0.21 0.00 -1.81 0.00 0.00 61.98 57.77 3dlx s VAL 249 Cb -0.15 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.22 3dlx s VAL 249 CO 0.03 -0.27 1.15 -1.81 -0.31 0.00 0.00 175.10 173.89 3dlx s ASP 250 N -3.49 5.83 0.12 4.85 1.01 -1.26 -1.99 116.67 121.74 3dlx s ASP 250 Ca 0.30 2.23 -0.35 0.00 0.71 0.00 0.00 52.55 55.45 3dlx s ASP 250 Cb 0.03 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.23 3dlx s ASP 250 CO 0.13 -1.15 1.55 -0.38 0.21 0.00 0.00 175.17 175.54 3dlx n ILE 251 N -1.06 0.05 -0.16 0.77 5.41 -1.26 -1.77 119.36 121.34 3dlx n ILE 251 Ca 0.10 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3dlx n ILE 251 Cb 0.50 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.01 3dlx n ILE 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3dlx n GLY 252 N 3.32 0.58 0.14 7.39 0.00 -1.26 -4.96 105.19 110.40 3dlx n GLY 252 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3dlx n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlx h ALA 253 N 0.00 0.70 -2.77 4.61 0.00 -1.71 -3.44 119.26 116.65 3dlx h ALA 253 Ca 0.00 -0.48 -0.60 0.00 0.00 0.00 0.00 54.91 53.84 3dlx h ALA 253 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 3dlx h ALA 253 CO 0.00 0.65 -0.17 -0.06 0.00 0.00 0.00 179.25 179.67 3dlx s PHE 254 N -3.05 3.67 0.19 0.00 0.08 -1.26 -5.05 117.98 112.55 3dlx s PHE 254 Ca 0.03 0.98 -0.32 0.00 0.12 0.00 0.00 56.93 57.73 3dlx s PHE 254 Cb 0.08 -2.38 -0.12 0.00 -0.57 0.00 0.00 43.02 40.02 3dlx s PHE 254 CO 0.74 0.49 1.69 0.00 -0.10 0.00 0.00 175.22 178.04 3dlx n ALA 255 N 2.40 2.48 0.12 5.36 0.00 -1.26 -4.90 120.51 124.71 3dlx n ALA 255 Ca -0.12 0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.86 3dlx n ALA 255 Cb 0.52 -2.49 0.64 0.00 0.00 0.00 0.00 19.45 18.12 3dlx n ALA 255 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3dlx h PRO 256 N 6.63 0.06 0.00 0.00 0.13 -1.96 0.06 132.00 136.91 3dlx h PRO 256 Ca -0.44 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3dlx h PRO 256 Cb 1.21 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dlx h PRO 256 CO 0.94 0.04 -0.04 0.93 -0.23 0.00 0.00 178.00 179.64 3dlx h GLU 257 N 0.06 0.00 -0.31 0.86 3.07 -2.06 -3.20 114.58 113.00 3dlx h GLU 257 Ca 0.12 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 3dlx h GLU 257 Cb 0.41 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3dlx h GLU 257 CO -0.01 0.04 0.01 -0.25 -1.40 0.00 0.00 179.01 177.40 3dlx n ASP 258 N -3.20 3.83 -4.61 1.42 8.00 0.01 -4.93 116.55 117.07 3dlx n ASP 258 Ca -0.01 -3.13 -0.41 0.00 0.71 0.00 0.00 54.79 51.96 3dlx n ASP 258 Cb 0.26 -0.57 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 3dlx n ASP 258 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dlx s ILE 259 N -2.90 4.90 0.04 0.53 1.01 -1.21 -4.89 121.20 118.68 3dlx s ILE 259 Ca 0.44 1.00 -0.18 0.00 0.00 0.00 0.00 60.65 61.91 3dlx s ILE 259 Cb 0.36 -4.04 -0.19 0.00 0.01 0.00 0.00 42.46 38.60 3dlx s ILE 259 CO 0.08 -0.15 1.21 0.45 0.00 0.00 0.00 174.94 176.53 3dlx h HIS 260 N 8.12 0.68 -3.57 3.97 3.86 -1.79 -3.41 115.15 123.01 3dlx h HIS 260 Ca -0.26 -0.31 -0.60 0.00 -1.16 0.00 0.00 60.37 58.05 3dlx h HIS 260 Cb 1.11 -0.10 -0.39 0.00 1.06 0.00 0.00 27.41 29.09 3dlx h HIS 260 CO 0.76 1.08 -0.78 0.42 0.86 0.00 0.00 177.93 180.28 3dlx s ILE 261 N -3.62 1.39 0.67 2.45 -1.09 -0.35 -5.01 121.20 115.63 3dlx s ILE 261 Ca -0.13 -1.18 -0.17 0.00 -2.23 0.00 0.00 60.65 56.94 3dlx s ILE 261 Cb 0.05 -1.72 -0.00 0.00 -1.58 0.00 0.00 42.46 39.21 3dlx s ILE 261 CO 0.82 -0.16 1.22 -2.65 -1.23 0.00 0.00 174.94 172.94 3dlx n PRO 262 N 4.72 0.94 0.02 2.79 -0.02 -1.26 -0.74 135.00 141.44 3dlx n PRO 262 Ca -0.11 0.38 0.22 0.00 -2.02 0.00 0.00 63.50 61.97 3dlx n PRO 262 Cb 0.44 -2.46 0.73 0.00 -0.02 0.00 0.00 33.50 32.19 3dlx n PRO 262 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3dlx h GLN 263 N 0.30 0.00 -0.33 -0.52 3.07 -1.86 -2.47 115.11 113.30 3dlx h GLN 263 Ca -0.50 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.34 3dlx h GLN 263 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.89 3dlx h GLN 263 CO 0.51 0.00 0.27 0.97 0.09 0.00 0.00 178.83 180.67 3dlx h ILE 264 N 0.00 0.69 -0.01 1.86 2.10 -1.91 -1.59 117.51 118.66 3dlx h ILE 264 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.19 3dlx h ILE 264 Cb 1.23 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 3dlx h ILE 264 CO -0.00 0.00 -0.44 -1.22 -1.08 0.00 0.00 178.15 175.41 3dlx n TYR 265 N -4.22 0.00 -3.84 2.19 4.01 -0.93 -4.86 117.16 109.51 3dlx n TYR 265 Ca 0.05 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.43 3dlx n TYR 265 Cb 0.43 -0.11 -0.13 0.00 -0.31 0.00 0.00 39.34 39.23 3dlx n TYR 265 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3dlx s VAL 266 N -2.65 3.50 -0.22 -0.72 1.01 -0.60 -4.67 120.40 116.05 3dlx s VAL 266 Ca 0.19 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.33 3dlx s VAL 266 Cb 0.18 -2.85 -0.20 0.00 0.00 0.00 0.00 36.38 33.52 3dlx s VAL 266 CO 0.61 0.06 -0.08 1.41 0.00 0.00 0.00 175.10 177.10 3dlx n HIS 267 N 4.77 0.00 -4.31 5.22 8.25 -1.13 -4.18 115.22 123.84 3dlx n HIS 267 Ca -0.15 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.12 3dlx n HIS 267 Cb 0.47 -0.96 -0.16 0.00 1.12 0.00 0.00 29.99 30.46 3dlx n HIS 267 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dlx s ARG 268 N -2.48 0.85 -0.03 -0.41 0.52 -0.28 -1.25 118.95 115.86 3dlx s ARG 268 Ca -0.22 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 3dlx s ARG 268 Cb 0.07 -0.81 0.02 0.00 0.52 0.00 0.00 34.95 34.75 3dlx s ARG 268 CO 0.68 0.07 -0.04 -1.17 0.02 0.00 0.00 175.30 174.86 3dlx s LEU 269 N 0.31 1.49 0.00 2.53 2.96 -0.55 -0.73 118.68 124.69 3dlx s LEU 269 Ca -0.04 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 3dlx s LEU 269 Cb -0.09 -0.39 -0.00 0.00 0.50 0.00 0.00 46.19 46.20 3dlx s LEU 269 CO 0.00 -0.03 -0.02 -0.51 -1.32 0.00 0.00 176.35 174.48 3dlx s ILE 270 N 0.65 0.17 -0.35 6.68 2.07 -0.07 -1.18 121.20 129.17 3dlx s ILE 270 Ca -0.08 -0.17 -0.27 0.00 -1.41 0.00 0.00 60.65 58.72 3dlx s ILE 270 Cb -0.12 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.32 3dlx s ILE 270 CO -0.00 0.00 0.97 -0.75 -1.91 0.00 0.00 174.94 173.26 3dlx s LYS 271 N -0.18 3.94 0.65 3.50 2.20 -1.26 -1.07 119.74 127.52 3dlx s LYS 271 Ca -0.00 0.76 -0.18 0.00 -0.36 0.00 0.00 55.97 56.19 3dlx s LYS 271 Cb -0.02 -3.77 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 3dlx s LYS 271 CO -0.00 -0.91 1.26 0.41 -0.36 0.00 0.00 175.35 175.75 3dlx n GLY 272 N 4.19 0.47 0.10 5.54 0.00 -0.14 -4.89 105.19 110.45 3dlx n GLY 272 Ca 0.09 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 3dlx n GLY 272 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dlx h GLU 273 N 0.50 0.11 -4.15 1.61 5.08 -1.96 -3.47 114.58 112.31 3dlx h GLU 273 Ca -0.51 -0.19 -0.31 0.00 -1.00 0.00 0.00 59.36 57.35 3dlx h GLU 273 Cb 1.34 0.07 -0.29 0.00 0.50 0.00 0.00 28.75 30.37 3dlx h GLU 273 CO 0.53 1.09 -0.75 0.15 -1.00 0.00 0.00 179.01 179.03 3dlx s LYS 274 N -2.38 0.36 -0.24 2.33 1.02 -1.26 -5.12 119.74 114.46 3dlx s LYS 274 Ca -0.22 -0.13 -0.01 0.00 0.02 0.00 0.00 55.97 55.63 3dlx s LYS 274 Cb 0.03 -0.36 0.07 0.00 -0.52 0.00 0.00 37.83 37.05 3dlx s LYS 274 CO 0.70 0.07 0.04 0.71 -0.92 0.00 0.00 175.35 175.94 3dlx s TYR 275 N 0.03 1.51 0.06 3.18 2.02 -1.26 -4.69 117.35 118.19 3dlx s TYR 275 Ca 0.00 -1.30 -0.17 0.00 -0.37 0.00 0.00 57.07 55.23 3dlx s TYR 275 Cb -0.03 -1.34 -0.17 0.00 -0.40 0.00 0.00 41.96 40.01 3dlx s TYR 275 CO -0.00 -0.72 1.25 0.93 -1.57 0.00 0.00 175.55 175.43 3dlx h GLU 276 N 8.14 0.59 -6.56 -0.62 5.08 -2.01 -3.47 114.58 115.73 3dlx h GLU 276 Ca -0.16 -0.48 -0.48 0.00 -1.00 0.00 0.00 59.36 57.25 3dlx h GLU 276 Cb 1.08 0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.45 3dlx h GLU 276 CO 0.39 1.10 -0.94 1.63 -1.00 0.00 0.00 179.01 180.19 3dlx n LYS 277 N -4.17 -0.96 -1.89 2.33 5.02 -1.26 -4.89 118.16 112.35 3dlx n LYS 277 Ca -0.08 0.48 -0.39 0.00 -2.02 0.00 0.00 58.31 56.30 3dlx n LYS 277 Cb 0.63 -3.18 0.02 0.00 -0.02 0.00 0.00 35.03 32.48 3dlx n LYS 277 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3dlx s ARG 278 N -6.00 3.58 -0.22 1.97 3.52 -1.26 -4.83 118.95 115.70 3dlx s ARG 278 Ca 0.32 2.24 -0.05 0.00 -0.13 0.00 0.00 55.73 58.12 3dlx s ARG 278 Cb -0.15 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.70 3dlx s ARG 278 CO 0.90 -0.84 -0.01 0.42 -0.81 0.00 0.00 175.30 174.96 3dlx s ILE 279 N -1.28 3.65 0.05 4.11 1.01 -1.26 -4.84 121.20 122.64 3dlx s ILE 279 Ca 0.64 -0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 3dlx s ILE 279 Cb -0.40 -2.67 -0.14 0.00 0.01 0.00 0.00 42.46 39.26 3dlx s ILE 279 CO 0.50 0.40 1.34 -0.08 0.00 0.00 0.00 174.94 177.10 3dlx h GLU 280 N 8.07 0.46 -4.05 2.79 4.81 -1.96 -3.42 114.58 121.29 3dlx h GLU 280 Ca -0.40 -0.27 -0.54 0.00 -0.13 0.00 0.00 59.36 58.02 3dlx h GLU 280 Cb 1.17 0.02 -0.38 0.00 0.63 0.00 0.00 28.75 30.19 3dlx h GLU 280 CO 0.60 0.86 -0.79 1.03 -0.73 0.00 0.00 179.01 179.98 3dlx s ARG 281 N -4.18 1.27 -0.58 1.92 0.52 -1.25 -5.09 118.95 111.57 3dlx s ARG 281 Ca -0.14 -0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 54.39 3dlx s ARG 281 Cb 0.06 -1.93 0.05 0.00 0.52 0.00 0.00 34.95 33.65 3dlx s ARG 281 CO 0.78 -0.45 0.91 -1.17 0.02 0.00 0.00 175.30 175.40 3dlx s LEU 282 N 1.69 4.27 -0.32 2.53 2.96 -1.26 -3.05 118.68 125.49 3dlx s LEU 282 Ca 0.01 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 3dlx s LEU 282 Cb -0.15 -2.67 0.04 0.00 0.50 0.00 0.00 46.19 43.91 3dlx s LEU 282 CO -0.07 -1.25 0.07 -0.44 -1.32 0.00 0.00 176.35 173.33 3dlx s SER 283 N 3.05 5.15 -0.08 3.68 0.01 -1.26 -4.97 113.70 119.29 3dlx s SER 283 Ca 0.26 -1.15 0.03 0.00 1.31 0.00 0.00 55.95 56.40 3dlx s SER 283 Cb -0.14 -1.82 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 3dlx s SER 283 CO 0.16 -0.29 -0.15 -0.63 0.41 0.00 0.00 173.24 172.74 3dlx s ILE 284 N 1.36 3.00 -0.14 1.44 -1.09 -1.26 -3.88 121.20 120.63 3dlx s ILE 284 Ca -0.03 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.38 3dlx s ILE 284 Cb -0.19 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 3dlx s ILE 284 CO 0.01 0.57 1.51 0.00 -1.23 0.00 0.00 174.94 175.80 3dlx s ARG 285 N -0.36 4.08 0.43 2.79 1.70 0.61 -4.92 118.95 123.29 3dlx s ARG 285 Ca 0.04 1.84 0.08 0.00 -0.47 0.00 0.00 55.73 57.21 3dlx s ARG 285 Cb -0.12 -3.93 -0.01 0.00 -0.57 0.00 0.00 34.95 30.32 3dlx s ARG 285 CO 0.02 -0.93 0.43 0.16 -1.08 0.00 0.00 175.30 173.90 3dlx s ASP 299 N 3.12 5.11 0.12 -2.89 -4.77 -1.26 -4.78 116.67 111.33 3dlx s ASP 299 Ca 0.66 -0.74 -0.20 0.00 -3.30 0.00 0.00 52.55 48.97 3dlx s ASP 299 Cb -0.27 -0.47 -0.05 0.00 -1.09 0.00 0.00 42.92 41.05 3dlx s ASP 299 CO 0.24 -0.74 1.73 -2.24 0.70 0.00 0.00 175.17 174.87 3dlx h ASP 300 N 0.91 -0.02 -0.58 2.11 3.04 -2.06 -0.66 116.42 119.16 3dlx h ASP 300 Ca -0.40 0.03 -0.07 0.00 -3.24 0.00 0.00 57.03 53.35 3dlx h ASP 300 Cb 1.27 0.05 -0.03 0.00 -1.04 0.00 0.00 39.33 39.59 3dlx h ASP 300 CO 0.55 0.02 0.10 -0.37 -2.04 0.00 0.00 179.24 177.49 3dlx h VAL 301 N 0.09 1.25 0.00 4.15 -1.51 -2.00 -2.32 116.25 115.91 3dlx h VAL 301 Ca 0.08 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 64.49 3dlx h VAL 301 Cb 0.09 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 3dlx h VAL 301 CO -0.12 0.37 -0.38 -0.09 -1.23 0.00 0.00 177.57 176.11 3dlx h ARG 302 N 0.93 0.00 -0.09 5.19 2.43 -1.96 -2.72 114.38 118.17 3dlx h ARG 302 Ca 0.19 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.13 3dlx h ARG 302 Cb 0.41 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3dlx h ARG 302 CO 0.01 0.38 -0.85 0.93 -1.51 0.00 0.00 179.97 178.94 3dlx h GLU 303 N 0.00 0.65 -0.66 0.20 5.08 -0.91 -2.16 114.58 116.78 3dlx h GLU 303 Ca -0.00 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 57.75 3dlx h GLU 303 Cb 1.15 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 3dlx h GLU 303 CO 0.05 1.19 0.32 0.00 -1.00 0.00 0.00 179.01 179.58 3dlx h ARG 304 N 0.42 0.95 0.19 2.33 3.08 -1.37 0.21 114.38 120.19 3dlx h ARG 304 Ca -0.07 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3dlx h ARG 304 Cb 1.47 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3dlx h ARG 304 CO 0.16 0.75 -0.09 0.82 -1.07 0.00 0.00 179.97 180.55 3dlx h ILE 305 N 0.92 0.89 -0.56 2.04 2.04 -1.57 -2.68 117.51 118.59 3dlx h ILE 305 Ca 0.23 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3dlx h ILE 305 Cb 0.11 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 3dlx h ILE 305 CO -0.03 0.09 0.30 0.40 0.00 0.00 0.00 178.15 178.91 3dlx h ILE 306 N -0.44 1.19 0.00 -0.67 2.04 -1.29 0.28 117.51 118.62 3dlx h ILE 306 Ca -0.03 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3dlx h ILE 306 Cb 0.34 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3dlx h ILE 306 CO 0.04 0.20 0.00 0.11 0.00 0.00 0.00 178.15 178.50 3dlx h LYS 307 N 0.75 0.00 0.08 2.37 1.57 -0.65 -0.42 116.57 120.26 3dlx h LYS 307 Ca 0.20 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.61 3dlx h LYS 307 Cb 0.05 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3dlx h LYS 307 CO -0.03 0.00 -2.09 -2.13 -0.57 0.00 0.00 179.45 174.63 3dlx n ARG 308 N -2.90 0.72 -0.27 3.15 3.00 -0.90 -1.11 116.66 118.34 3dlx n ARG 308 Ca -0.00 0.23 -0.00 0.00 -0.00 0.00 0.00 57.85 58.08 3dlx n ARG 308 Cb 0.23 -1.67 0.20 0.00 0.00 0.00 0.00 32.46 31.22 3dlx n ARG 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3dlx h ALA 309 N 0.22 1.40 -0.93 5.13 0.00 -0.27 -2.49 119.26 122.32 3dlx h ALA 309 Ca -0.45 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 54.66 3dlx h ALA 309 Cb 2.01 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 3dlx h ALA 309 CO 0.05 0.55 0.65 0.00 0.00 0.00 0.00 179.25 180.50 3dlx h ALA 310 N 1.48 2.74 0.00 0.00 0.00 -1.25 0.59 119.26 122.82 3dlx h ALA 310 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3dlx h ALA 310 Cb -0.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dlx h ALA 310 CO -0.07 -1.02 0.00 1.28 0.00 0.00 0.00 179.25 179.44 3dlx n LEU 311 N -4.32 0.00 0.10 0.00 4.77 -0.94 -3.11 117.00 113.50 3dlx n LEU 311 Ca 0.20 0.14 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 3dlx n LEU 311 Cb 0.94 -0.14 0.43 0.00 -2.33 0.00 0.00 43.42 42.32 3dlx n LEU 311 CO 0.37 -0.00 0.89 -0.62 -1.33 0.00 0.00 177.39 176.70 3dlx n GLU 312 N -1.14 0.24 -3.42 3.23 -0.58 0.20 -4.87 120.64 114.29 3dlx n GLU 312 Ca 0.19 0.23 -0.34 0.00 -0.42 0.00 0.00 57.16 56.82 3dlx n GLU 312 Cb 0.17 -1.80 -0.06 0.00 -0.57 0.00 0.00 31.44 29.19 3dlx n GLU 312 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3dlx s PHE 313 N -3.13 3.56 0.13 -0.32 0.08 -1.18 -5.08 117.98 112.04 3dlx s PHE 313 Ca 0.10 0.95 0.04 0.00 0.12 0.00 0.00 56.93 58.14 3dlx s PHE 313 Cb 0.12 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 3dlx s PHE 313 CO 0.56 0.41 -0.10 -1.21 -0.10 0.00 0.00 175.22 174.78 3dlx s GLU 314 N -2.15 0.98 0.17 0.44 2.02 -1.26 -5.06 118.70 113.83 3dlx s GLU 314 Ca 0.39 -1.33 -0.31 0.00 0.02 0.00 0.00 54.97 53.74 3dlx s GLU 314 Cb -0.14 -0.61 -0.09 0.00 0.10 0.00 0.00 34.13 33.39 3dlx s GLU 314 CO 0.19 0.09 1.40 0.34 0.02 0.00 0.00 175.26 177.30 3dlx s ASP 315 N -2.85 6.79 0.00 -0.19 2.15 -1.26 -2.32 116.67 118.99 3dlx s ASP 315 Ca 0.12 2.44 0.00 0.00 0.43 0.00 0.00 52.55 55.54 3dlx s ASP 315 Cb 0.00 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3dlx s ASP 315 CO 0.00 -0.64 0.00 0.61 -0.17 0.00 0.00 175.17 174.97 3dlx n GLY 316 N 2.99 0.89 3.76 2.66 0.00 0.43 -4.95 105.19 110.96 3dlx n GLY 316 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3dlx n GLY 316 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3dlx s MET 317 N -0.14 4.57 -0.33 1.61 0.00 -0.98 -4.87 119.30 119.16 3dlx s MET 317 Ca 0.00 1.88 -0.14 0.00 0.00 0.00 0.00 55.69 57.43 3dlx s MET 317 Cb 0.00 -3.18 -0.02 0.00 0.00 0.00 0.00 34.83 31.63 3dlx s MET 317 CO 0.00 0.11 0.32 0.71 0.00 0.00 0.00 175.02 176.15 3dlx s TYR 318 N -1.01 3.22 0.03 4.11 1.51 -1.26 -1.15 117.35 122.79 3dlx s TYR 318 Ca 0.46 -0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.58 3dlx s TYR 318 Cb -0.33 -2.58 -0.02 0.00 -0.11 0.00 0.00 41.96 38.91 3dlx s TYR 318 CO 0.42 -0.37 -0.20 0.00 -1.11 0.00 0.00 175.55 174.30 3dlx s ALA 319 N 1.93 1.67 -0.18 3.71 0.00 -0.59 -0.40 121.76 127.89 3dlx s ALA 319 Ca 0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 3dlx s ALA 319 Cb -0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3dlx s ALA 319 CO 0.11 0.38 -0.05 1.21 0.00 0.00 0.00 175.76 177.42 3dlx s ASN 320 N -0.96 4.50 -0.28 0.00 3.84 -0.15 -0.68 114.94 121.20 3dlx s ASN 320 Ca 0.07 -0.27 -0.07 0.00 0.21 0.00 0.00 52.86 52.80 3dlx s ASN 320 Cb -0.08 -1.75 0.00 0.00 -0.55 0.00 0.00 41.25 38.87 3dlx s ASN 320 CO 0.01 0.08 0.07 -0.76 -2.79 0.00 0.00 177.10 173.71 3dlx s LEU 321 N 0.89 3.72 0.82 3.21 1.43 -1.26 -1.89 118.68 125.60 3dlx s LEU 321 Ca -0.01 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 3dlx s LEU 321 Cb -0.15 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.28 3dlx s LEU 321 CO 0.01 -0.16 1.10 -0.83 0.23 0.00 0.00 176.35 176.71 3dlx s GLY 322 N 1.52 1.62 0.55 -3.19 0.00 0.18 -4.63 107.32 103.36 3dlx s GLY 322 Ca 0.03 -0.24 -0.21 0.00 0.00 0.00 0.00 44.72 44.30 3dlx s GLY 322 CO 0.02 0.21 1.31 -0.26 0.00 0.00 0.00 173.10 174.38 3dlx s ILE 323 N -3.16 2.27 0.00 0.90 -4.36 -1.26 -2.63 121.20 112.96 3dlx s ILE 323 Ca 0.61 0.19 0.00 0.00 -0.26 0.00 0.00 60.65 61.20 3dlx s ILE 323 Cb -0.15 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.47 3dlx s ILE 323 CO 0.54 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 176.32 3dlx n GLY 324 N 0.69 0.93 0.32 6.27 0.00 -1.26 -4.46 105.19 107.68 3dlx n GLY 324 Ca 0.11 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.47 3dlx n GLY 324 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dlx h ILE 325 N 0.00 1.18 -0.40 -0.61 2.04 -1.89 -2.91 117.51 114.93 3dlx h ILE 325 Ca 0.00 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.39 3dlx h ILE 325 Cb 0.00 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3dlx h ILE 325 CO 0.00 0.20 0.23 -0.65 0.00 0.00 0.00 178.15 177.93 3dlx h PRO 326 N 0.79 0.53 -0.16 2.37 0.11 -1.83 -2.71 132.00 131.10 3dlx h PRO 326 Ca 0.20 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.31 3dlx h PRO 326 Cb 0.04 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.00 3dlx h PRO 326 CO -0.03 0.39 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.99 3dlx h LEU 327 N 0.54 -0.28 -1.99 2.35 3.38 -1.29 -2.40 115.31 115.63 3dlx h LEU 327 Ca 0.14 0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.45 3dlx h LEU 327 Cb -0.00 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3dlx h LEU 327 CO -0.03 -0.11 0.67 -0.07 0.09 0.00 0.00 178.44 179.00 3dlx h LEU 328 N -0.07 0.00 -0.30 1.67 3.38 -1.59 -2.69 115.31 115.70 3dlx h LEU 328 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dlx h LEU 328 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dlx h LEU 328 CO -0.21 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.32 3dlx h ALA 329 N 1.51 1.00 0.00 1.53 0.00 -1.30 -3.18 119.26 118.82 3dlx h ALA 329 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 3dlx h ALA 329 Cb 1.78 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 3dlx h ALA 329 CO -0.00 0.00 -0.27 0.66 0.00 0.00 0.00 179.25 179.64 3dlx h SER 330 N 0.00 0.00 0.84 0.00 4.64 -1.55 -2.01 113.55 115.47 3dlx h SER 330 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dlx h SER 330 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3dlx h SER 330 CO 0.00 0.27 0.00 0.78 -0.87 0.00 0.00 176.83 177.01 3dlx h ASN 331 N 0.00 0.00 -0.01 4.97 2.35 -1.74 -2.82 115.58 118.33 3dlx h ASN 331 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dlx h ASN 331 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3dlx h ASN 331 CO 0.03 0.00 -0.38 0.49 -1.65 0.00 0.00 177.43 175.92 3dlx n PHE 332 N -2.42 0.00 -1.64 1.19 3.01 -0.80 -4.96 117.46 111.84 3dlx n PHE 332 Ca 0.02 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.02 3dlx n PHE 332 Cb 0.26 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.69 3dlx n PHE 332 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3dlx n ILE 333 N -0.19 0.55 -1.54 4.37 5.41 -0.96 -4.88 119.36 122.12 3dlx n ILE 333 Ca 0.07 -0.18 -0.51 0.00 1.00 0.00 0.00 62.75 63.12 3dlx n ILE 333 Cb 0.35 -2.06 -0.05 0.00 -0.71 0.00 0.00 39.64 37.17 3dlx n ILE 333 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3dlx n SER 334 N 7.93 0.79 0.04 4.38 2.88 -1.26 -4.86 113.62 123.52 3dlx n SER 334 Ca 0.25 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 59.02 3dlx n SER 334 Cb 0.34 -1.12 0.37 0.00 -0.75 0.00 0.00 64.21 63.05 3dlx n SER 334 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dlx n PRO 335 N 1.71 0.06 0.00 -1.46 -0.04 -1.26 -3.29 135.00 130.73 3dlx n PRO 335 Ca 0.17 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 64.06 3dlx n PRO 335 Cb 0.20 -1.61 0.60 0.00 -0.04 0.00 0.00 33.50 32.66 3dlx n PRO 335 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dlx n ASN 336 N -1.73 0.41 -4.45 3.54 3.02 -1.26 -4.84 115.26 109.95 3dlx n ASN 336 Ca 0.03 -0.46 -0.22 0.00 -0.03 0.00 0.00 54.58 53.91 3dlx n ASN 336 Cb 0.20 -0.10 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 3dlx n ASN 336 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3dlx s ILE 337 N -2.54 1.43 -0.20 2.41 -4.36 -1.21 -5.08 121.20 111.65 3dlx s ILE 337 Ca 0.27 -2.05 -0.03 0.00 -0.26 0.00 0.00 60.65 58.58 3dlx s ILE 337 Cb 0.20 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.25 3dlx s ILE 337 CO 0.49 -0.14 -0.07 -0.89 0.24 0.00 0.00 174.94 174.57 3dlx s THR 338 N -3.14 3.20 -0.15 8.37 2.01 -1.26 -4.93 115.64 119.74 3dlx s THR 338 Ca 0.33 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.79 3dlx s THR 338 Cb 0.07 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 70.16 3dlx s THR 338 CO 0.14 0.45 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 3dlx s VAL 339 N 1.24 2.22 -0.44 3.82 1.01 -1.26 -0.43 120.40 126.55 3dlx s VAL 339 Ca 0.03 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 3dlx s VAL 339 Cb -0.14 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3dlx s VAL 339 CO -0.03 0.54 0.70 -1.00 0.00 0.00 0.00 175.10 175.31 3dlx s HIS 340 N 0.87 3.04 -0.16 5.22 3.76 -0.30 -4.95 115.29 122.76 3dlx s HIS 340 Ca -0.05 0.04 -0.19 0.00 -0.15 0.00 0.00 55.06 54.71 3dlx s HIS 340 Cb -0.15 -3.48 -0.03 0.00 1.11 0.00 0.00 32.58 30.03 3dlx s HIS 340 CO -0.03 -0.91 0.55 -0.51 -0.85 0.00 0.00 174.74 172.99 3dlx s LEU 341 N 3.01 4.20 -0.06 0.89 1.43 -1.26 -1.55 118.68 125.35 3dlx s LEU 341 Ca 0.26 0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 3dlx s LEU 341 Cb -0.13 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 3dlx s LEU 341 CO 0.20 -0.14 0.11 -1.58 0.23 0.00 0.00 176.35 175.17 3dlx s GLN 342 N 1.32 3.25 -0.06 1.70 -0.44 0.15 -0.16 119.66 125.42 3dlx s GLN 342 Ca 0.27 -0.31 0.04 0.00 -2.50 0.00 0.00 55.36 52.86 3dlx s GLN 342 Cb -0.16 -3.01 -0.00 0.00 -1.64 0.00 0.00 33.01 28.20 3dlx s GLN 342 CO 0.11 0.71 -0.19 0.45 0.50 0.00 0.00 175.29 176.87 3dlx s SER 343 N -1.36 2.40 0.54 6.67 0.15 -0.46 -4.31 113.70 117.33 3dlx s SER 343 Ca 0.19 -0.40 0.27 0.00 0.70 0.00 0.00 55.95 56.71 3dlx s SER 343 Cb -0.12 -0.77 1.54 0.00 -1.71 0.00 0.00 66.02 64.96 3dlx s SER 343 CO 0.09 0.16 2.13 1.05 1.20 0.00 0.00 173.24 177.87 3dlx h GLU 344 N 6.35 0.00 0.00 5.44 4.11 -1.95 -1.82 114.58 126.71 3dlx h GLU 344 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 3dlx h GLU 344 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3dlx h GLU 344 CO 0.47 0.08 0.00 0.27 0.07 0.00 0.00 179.01 179.91 3dlx n ASN 345 N -3.76 0.00 0.00 3.06 6.94 -1.26 -4.69 115.26 115.55 3dlx n ASN 345 Ca -0.02 -0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.19 3dlx n ASN 345 Cb 0.19 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.49 3dlx n ASN 345 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3dlx n GLY 346 N 0.21 0.93 3.04 4.83 0.00 -0.74 -4.19 105.19 109.28 3dlx n GLY 346 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 3dlx n GLY 346 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dlx s VAL 347 N -1.20 0.79 -0.10 1.61 1.01 -0.91 -1.32 120.40 120.29 3dlx s VAL 347 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3dlx s VAL 347 Cb 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.74 3dlx s VAL 347 CO 0.00 0.22 -0.10 -0.22 0.00 0.00 0.00 175.10 175.00 3dlx s LEU 348 N -0.23 1.40 0.00 3.92 2.96 -0.28 -1.35 118.68 125.10 3dlx s LEU 348 Ca 0.04 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3dlx s LEU 348 Cb -0.04 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.76 3dlx s LEU 348 CO -0.00 -0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 3dlx n GLY 349 N 4.55 0.97 3.76 7.98 0.00 0.77 -1.60 105.19 121.62 3dlx n GLY 349 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3dlx n GLY 349 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlx s LEU 350 N 0.00 4.36 0.00 0.99 1.43 -1.03 -0.84 118.68 123.59 3dlx s LEU 350 Ca 0.00 2.86 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 3dlx s LEU 350 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 3dlx s LEU 350 CO 0.00 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.40 3dlx n GLY 351 N 1.58 3.62 3.63 -3.19 0.00 0.29 -4.62 105.19 106.49 3dlx n GLY 351 Ca 0.05 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 3dlx n GLY 351 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dlx s PRO 352 N -0.62 -0.44 0.42 1.61 0.04 -1.26 -4.25 135.00 130.49 3dlx s PRO 352 Ca 0.00 0.23 -0.26 0.00 0.04 0.00 0.00 61.00 61.01 3dlx s PRO 352 Cb 0.00 -1.66 -0.09 0.00 0.04 0.00 0.00 34.50 32.79 3dlx s PRO 352 CO 0.00 -3.25 1.35 0.71 0.04 0.00 0.00 177.00 175.85 3dlx s TYR 353 N -2.97 2.70 0.69 0.56 2.02 -1.26 -1.83 117.35 117.26 3dlx s TYR 353 Ca 0.68 1.35 -0.16 0.00 -0.37 0.00 0.00 57.07 58.57 3dlx s TYR 353 Cb -0.15 -3.77 0.01 0.00 -0.40 0.00 0.00 41.96 37.66 3dlx s TYR 353 CO 0.57 -2.39 1.18 -1.25 -1.57 0.00 0.00 175.55 172.09 3dlx s PRO 354 N -2.28 2.47 0.63 -1.71 0.04 -1.25 -3.93 135.00 128.96 3dlx s PRO 354 Ca 0.58 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 3dlx s PRO 354 Cb -0.40 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3dlx s PRO 354 CO 0.52 -1.57 1.20 1.03 0.04 0.00 0.00 177.00 178.23 3dlx s ARG 355 N -3.84 2.77 0.17 4.56 0.52 -1.26 -0.28 118.95 121.58 3dlx s ARG 355 Ca 0.73 1.79 -0.19 0.00 -0.52 0.00 0.00 55.73 57.54 3dlx s ARG 355 Cb -0.27 -1.91 0.10 0.00 0.52 0.00 0.00 34.95 33.39 3dlx s ARG 355 CO 0.42 -1.36 1.27 0.94 0.02 0.00 0.00 175.30 176.60 3dlx n GLN 356 N -1.91 -0.26 -0.13 3.54 -0.06 -1.26 -0.34 117.38 116.97 3dlx n GLN 356 Ca 0.13 1.26 0.08 0.00 -2.00 0.00 0.00 57.00 56.48 3dlx n GLN 356 Cb 0.50 -1.86 0.28 0.00 -4.06 0.00 0.00 30.24 25.10 3dlx n GLN 356 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 3dlx n HIS 357 N -5.14 0.33 1.03 3.69 8.25 -1.26 -3.60 115.22 118.52 3dlx n HIS 357 Ca 0.06 -0.17 0.12 0.00 -0.26 0.00 0.00 57.72 57.47 3dlx n HIS 357 Cb 0.29 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.54 3dlx n HIS 357 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3dlx n GLU 358 N 0.44 2.26 -1.87 -0.41 0.28 0.54 -4.98 120.64 116.91 3dlx n GLU 358 Ca 0.14 -1.84 -0.41 0.00 -0.16 0.00 0.00 57.16 54.90 3dlx n GLU 358 Cb 0.32 -1.46 -0.01 0.00 1.43 0.00 0.00 31.44 31.72 3dlx n GLU 358 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dlx s ALA 359 N -1.98 3.56 -0.05 -1.84 0.00 -1.18 -4.90 121.76 115.37 3dlx s ALA 359 Ca 0.29 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.78 3dlx s ALA 359 Cb 0.20 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3dlx s ALA 359 CO 0.30 -0.97 -0.06 0.34 0.00 0.00 0.00 175.76 175.38 3dlx s ASP 360 N -0.21 1.04 0.50 0.00 -1.08 -1.26 -5.04 116.67 110.60 3dlx s ASP 360 Ca 0.52 -0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.57 3dlx s ASP 360 Cb -0.45 -0.50 1.22 0.00 -1.46 0.00 0.00 42.92 41.74 3dlx s ASP 360 CO 0.61 -0.04 2.09 0.00 0.52 0.00 0.00 175.17 178.35 3dlx h ALA 361 N 7.11 1.76 -0.10 3.66 0.00 -1.91 -1.71 119.26 128.06 3dlx h ALA 361 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dlx h ALA 361 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dlx h ALA 361 CO 0.48 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.59 3dlx n ASP 362 N -4.30 0.90 -3.75 0.00 8.00 -1.26 -4.59 116.55 111.55 3dlx n ASP 362 Ca -0.03 -1.61 -0.30 0.00 0.71 0.00 0.00 54.79 53.57 3dlx n ASP 362 Cb 0.17 -0.06 -0.15 0.00 -0.02 0.00 0.00 41.12 41.06 3dlx n ASP 362 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dlx s LEU 363 N -1.53 2.27 0.19 0.64 2.96 -0.64 -1.10 118.68 121.47 3dlx s LEU 363 Ca 0.29 -1.60 0.02 0.00 -0.22 0.00 0.00 54.13 52.62 3dlx s LEU 363 Cb 0.15 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.90 3dlx s LEU 363 CO 0.23 -0.40 0.00 0.27 -1.32 0.00 0.00 176.35 175.13 3dlx s ILE 364 N 1.60 0.75 0.21 6.68 -4.36 -1.26 -2.44 121.20 122.38 3dlx s ILE 364 Ca 0.09 -1.99 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 3dlx s ILE 364 Cb -0.17 -2.18 0.04 0.00 1.25 0.00 0.00 42.46 41.39 3dlx s ILE 364 CO -0.23 -0.43 0.29 -0.46 0.24 0.00 0.00 174.94 174.35 3dlx n ASN 365 N -0.28 0.70 0.21 4.36 0.23 0.27 -4.87 115.26 115.89 3dlx n ASN 365 Ca -0.06 -1.52 0.10 0.00 -0.53 0.00 0.00 54.58 52.58 3dlx n ASN 365 Cb 0.63 -0.16 0.31 0.00 -2.08 0.00 0.00 39.78 38.49 3dlx n ASN 365 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dlx h ALA 366 N 0.25 0.93 0.00 -2.53 0.00 -1.93 -0.67 119.26 115.32 3dlx h ALA 366 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3dlx h ALA 366 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dlx h ALA 366 CO 0.13 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.00 3dlx n GLY 367 N 0.68 -0.88 2.36 0.00 0.00 -1.26 -4.91 105.19 101.18 3dlx n GLY 367 Ca 0.02 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 3dlx n GLY 367 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dlx n LYS 368 N -0.64 -1.30 -3.55 1.61 5.02 -0.26 -5.00 118.16 114.03 3dlx n LYS 368 Ca 0.06 0.88 -0.38 0.00 -2.02 0.00 0.00 58.31 56.85 3dlx n LYS 368 Cb 0.03 -5.26 -0.06 0.00 -0.02 0.00 0.00 35.03 29.71 3dlx n LYS 368 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3dlx s GLU 369 N -4.50 3.86 0.23 1.97 2.02 -1.26 -3.75 118.70 117.28 3dlx s GLU 369 Ca 0.00 0.32 -0.31 0.00 0.02 0.00 0.00 54.97 55.01 3dlx s GLU 369 Cb 0.00 -3.23 -0.11 0.00 0.10 0.00 0.00 34.13 30.89 3dlx s GLU 369 CO 0.00 0.68 1.59 0.95 0.02 0.00 0.00 175.26 178.51 3dlx s THR 370 N -1.00 2.30 0.36 3.63 -4.23 -1.17 -0.56 115.64 114.97 3dlx s THR 370 Ca 0.22 0.23 0.06 0.00 -1.18 0.00 0.00 61.69 61.02 3dlx s THR 370 Cb -0.16 -3.15 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 3dlx s THR 370 CO 0.12 0.03 0.22 0.68 -0.54 0.00 0.00 174.62 175.12 3dlx s VAL 371 N 0.60 0.21 0.47 2.29 -7.23 -1.02 -4.42 120.40 111.30 3dlx s VAL 371 Ca 0.67 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.89 3dlx s VAL 371 Cb -0.46 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 3dlx s VAL 371 CO 0.39 0.00 0.09 0.42 -0.31 0.00 0.00 175.10 175.68 3dlx s THR 372 N -3.37 1.67 0.10 5.32 -4.23 -0.76 -4.57 115.64 109.80 3dlx s THR 372 Ca 0.34 -1.88 0.09 0.00 -1.18 0.00 0.00 61.69 59.05 3dlx s THR 372 Cb 0.02 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 3dlx s THR 372 CO 0.22 0.00 -0.22 0.27 -0.54 0.00 0.00 174.62 174.35 3dlx s ILE 373 N -2.77 1.79 0.38 2.99 -4.36 -1.26 -0.55 121.20 117.42 3dlx s ILE 373 Ca 0.24 -1.53 -0.05 0.00 -0.26 0.00 0.00 60.65 59.04 3dlx s ILE 373 Cb 0.04 -1.61 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 3dlx s ILE 373 CO 0.13 -0.00 0.67 -0.76 0.24 0.00 0.00 174.94 175.21 3dlx s LEU 374 N -1.83 3.88 0.17 0.37 1.43 -0.02 -4.66 118.68 118.01 3dlx s LEU 374 Ca 0.08 0.83 -0.33 0.00 -1.03 0.00 0.00 54.13 53.68 3dlx s LEU 374 Cb -0.10 -3.70 -0.16 0.00 0.03 0.00 0.00 46.19 42.26 3dlx s LEU 374 CO 0.04 -0.36 1.17 -2.65 0.23 0.00 0.00 176.35 174.78 3dlx n PRO 375 N -1.51 1.14 -0.74 1.29 -0.02 -1.26 -1.45 135.00 132.46 3dlx n PRO 375 Ca -0.01 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3dlx n PRO 375 Cb 0.55 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3dlx n PRO 375 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dlx n GLY 376 N 2.04 0.83 3.74 -1.23 0.00 -1.26 -5.06 105.19 104.25 3dlx n GLY 376 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3dlx n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlx s ALA 377 N -3.25 2.27 0.09 4.61 0.00 -0.53 -4.94 121.76 120.02 3dlx s ALA 377 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.68 3dlx s ALA 377 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 3dlx s ALA 377 CO 0.00 -1.61 -0.08 -1.54 0.00 0.00 0.00 175.76 172.52 3dlx s SER 378 N -2.35 1.26 0.11 0.00 1.04 -0.63 -4.99 113.70 108.15 3dlx s SER 378 Ca 0.70 -0.88 0.09 0.00 0.48 0.00 0.00 55.95 56.34 3dlx s SER 378 Cb -0.24 0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.88 3dlx s SER 378 CO 0.44 -0.35 -0.16 -0.36 0.98 0.00 0.00 173.24 173.79 3dlx s PHE 379 N -2.89 2.58 0.26 5.02 0.08 -1.26 -1.13 117.98 120.64 3dlx s PHE 379 Ca 0.07 -0.24 -0.18 0.00 0.12 0.00 0.00 56.93 56.70 3dlx s PHE 379 Cb 0.00 -1.37 0.01 0.00 -0.57 0.00 0.00 43.02 41.10 3dlx s PHE 379 CO -0.02 0.39 0.62 -0.59 -0.10 0.00 0.00 175.22 175.52 3dlx s PHE 380 N -1.15 0.02 0.85 0.36 -0.12 -0.43 -4.97 117.98 112.53 3dlx s PHE 380 Ca 0.19 -0.44 -0.12 0.00 -0.05 0.00 0.00 56.93 56.50 3dlx s PHE 380 Cb -0.11 0.50 0.10 0.00 -0.63 0.00 0.00 43.02 42.89 3dlx s PHE 380 CO 0.11 -1.14 1.17 -1.54 -0.05 0.00 0.00 175.22 173.77 3dlx s SER 381 N -2.96 4.09 0.29 1.98 1.04 -1.26 -4.21 113.70 112.68 3dlx s SER 381 Ca 0.15 0.83 0.02 0.00 0.48 0.00 0.00 55.95 57.43 3dlx s SER 381 Cb -0.04 -1.34 0.43 0.00 0.10 0.00 0.00 66.02 65.17 3dlx s SER 381 CO 0.07 -2.17 1.77 0.28 0.98 0.00 0.00 173.24 174.17 3dlx h SER 382 N -1.24 0.57 -0.56 7.02 0.02 -1.51 -0.56 113.55 117.29 3dlx h SER 382 Ca -0.48 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.30 3dlx h SER 382 Cb 1.33 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 3dlx h SER 382 CO 0.64 0.72 0.31 -2.24 -1.14 0.00 0.00 176.83 175.12 3dlx h ASP 383 N 0.54 0.73 0.22 3.07 2.03 -1.82 -2.56 116.42 118.63 3dlx h ASP 383 Ca 0.10 -0.06 -0.30 0.00 -0.73 0.00 0.00 57.03 56.04 3dlx h ASP 383 Cb 0.52 -0.19 0.03 0.00 -0.83 0.00 0.00 39.33 38.86 3dlx h ASP 383 CO 0.03 0.60 -1.25 -0.08 -1.03 0.00 0.00 179.24 177.51 3dlx h GLU 384 N 0.82 0.56 -0.45 4.15 4.57 -1.87 -2.33 114.58 120.04 3dlx h GLU 384 Ca 0.21 -0.78 0.07 0.00 -1.18 0.00 0.00 59.36 57.68 3dlx h GLU 384 Cb 0.05 0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 28.84 3dlx h GLU 384 CO -0.03 1.35 0.12 1.03 -1.18 0.00 0.00 179.01 180.29 3dlx h SER 385 N 0.24 0.07 1.28 1.04 0.87 -1.00 -2.05 113.55 113.99 3dlx h SER 385 Ca -0.18 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 3dlx h SER 385 Cb 1.93 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 3dlx h SER 385 CO 0.23 0.07 -0.37 -0.26 -0.53 0.00 0.00 176.83 175.98 3dlx h PHE 386 N 0.26 0.00 -0.65 2.24 0.04 -1.48 -1.87 116.94 115.49 3dlx h PHE 386 Ca 0.22 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.04 3dlx h PHE 386 Cb 0.25 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.35 3dlx h PHE 386 CO -0.19 0.37 0.37 0.00 -0.60 0.00 0.00 178.31 178.26 3dlx h ALA 387 N 1.63 0.86 -0.40 2.45 0.00 -1.26 0.28 119.26 122.83 3dlx h ALA 387 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dlx h ALA 387 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3dlx h ALA 387 CO 0.05 0.07 0.23 1.98 0.00 0.00 0.00 179.25 181.57 3dlx h MET 388 N 0.70 0.54 0.25 0.00 1.85 -0.87 0.49 114.93 117.89 3dlx h MET 388 Ca 0.28 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.30 3dlx h MET 388 Cb 0.13 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.06 3dlx h MET 388 CO -0.16 0.42 -0.12 0.82 -0.40 0.00 0.00 176.91 177.47 3dlx h ILE 389 N 0.51 0.63 0.00 1.77 2.04 -1.18 -2.06 117.51 119.22 3dlx h ILE 389 Ca 0.14 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3dlx h ILE 389 Cb 0.03 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3dlx h ILE 389 CO -0.02 0.15 -0.09 -0.09 0.00 0.00 0.00 178.15 178.09 3dlx h ARG 390 N -0.90 0.00 -0.00 2.37 2.43 -0.50 -2.40 114.38 115.37 3dlx h ARG 390 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3dlx h ARG 390 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3dlx h ARG 390 CO 0.06 0.09 -0.03 0.41 -1.51 0.00 0.00 179.97 178.98 3dlx n GLY 391 N -1.23 -0.92 1.63 2.80 0.00 0.16 -4.72 105.19 102.92 3dlx n GLY 391 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3dlx n GLY 391 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlx n GLY 392 N 1.16 0.61 0.11 -0.02 0.00 -0.90 -4.95 105.19 101.20 3dlx n GLY 392 Ca 0.18 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.45 3dlx n GLY 392 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dlx h HIS 393 N 0.00 0.00 -3.40 1.61 3.86 -1.57 -3.44 115.15 112.21 3dlx h HIS 393 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3dlx h HIS 393 Cb 0.55 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 3dlx h HIS 393 CO 0.00 0.46 0.21 0.08 0.86 0.00 0.00 177.93 179.54 3dlx s VAL 394 N -3.00 4.89 0.14 2.45 1.01 -1.25 -4.89 120.40 119.74 3dlx s VAL 394 Ca -0.00 1.72 -0.07 0.00 0.00 0.00 0.00 61.98 63.63 3dlx s VAL 394 Cb 0.08 -4.16 -0.15 0.00 0.00 0.00 0.00 36.38 32.15 3dlx s VAL 394 CO 0.78 0.25 1.35 0.44 0.00 0.00 0.00 175.10 177.92 3dlx h ASP 395 N 6.47 0.69 -3.49 3.32 3.32 -1.02 -3.40 116.42 122.31 3dlx h ASP 395 Ca -0.42 -0.47 -0.22 0.00 0.02 0.00 0.00 57.03 55.94 3dlx h ASP 395 Cb 1.21 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 40.25 3dlx h ASP 395 CO 0.74 1.25 -0.55 -0.22 -1.72 0.00 0.00 179.24 178.74 3dlx s LEU 396 N -8.09 0.78 -0.12 1.55 2.96 -1.08 -1.73 118.68 112.95 3dlx s LEU 396 Ca -0.08 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3dlx s LEU 396 Cb 0.09 0.51 -0.02 0.00 0.50 0.00 0.00 46.19 47.27 3dlx s LEU 396 CO 0.87 -0.13 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.80 3dlx s THR 397 N 0.96 3.56 -0.17 3.68 2.01 -0.01 -0.98 115.64 124.69 3dlx s THR 397 Ca -0.07 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 3dlx s THR 397 Cb -0.09 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 69.91 3dlx s THR 397 CO -0.05 0.53 -0.14 -0.32 -0.69 0.00 0.00 174.62 173.95 3dlx s MET 398 N 0.04 3.20 0.05 4.92 1.75 -0.79 -1.09 119.30 127.38 3dlx s MET 398 Ca -0.02 -0.74 0.03 0.00 -1.25 0.00 0.00 55.69 53.71 3dlx s MET 398 Cb -0.14 -2.70 -0.02 0.00 2.84 0.00 0.00 34.83 34.81 3dlx s MET 398 CO 0.03 -0.08 -0.10 -0.51 -0.65 0.00 0.00 175.02 173.72 3dlx s LEU 399 N 1.06 2.24 0.72 4.11 1.43 -0.33 -0.65 118.68 127.26 3dlx s LEU 399 Ca -0.00 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 3dlx s LEU 399 Cb -0.15 -0.28 0.03 0.00 0.03 0.00 0.00 46.19 45.82 3dlx s LEU 399 CO -0.04 -0.14 1.10 -0.83 0.23 0.00 0.00 176.35 176.67 3dlx s GLY 400 N -1.47 1.62 0.09 -3.19 0.00 -1.26 -1.15 107.32 101.96 3dlx s GLY 400 Ca -0.06 -0.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.07 3dlx s GLY 400 CO 0.01 -0.09 0.23 0.00 0.00 0.00 0.00 173.10 173.26 3dlx s ALA 401 N -3.37 -0.38 -0.19 3.20 0.00 -1.26 -4.84 121.76 114.92 3dlx s ALA 401 Ca 0.59 -0.48 0.10 0.00 0.00 0.00 0.00 51.96 52.16 3dlx s ALA 401 Cb -0.11 0.52 -0.22 0.00 0.00 0.00 0.00 23.12 23.30 3dlx s ALA 401 CO 0.50 -0.53 0.09 -1.33 0.00 0.00 0.00 175.76 174.49 3dlx n MET 402 N -0.06 0.68 -3.79 0.00 2.81 -0.20 -4.90 117.12 111.65 3dlx n MET 402 Ca -0.15 0.11 -0.13 0.00 -1.81 0.00 0.00 57.70 55.72 3dlx n MET 402 Cb 0.62 -1.58 -0.10 0.00 -0.71 0.00 0.00 33.22 31.46 3dlx n MET 402 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3dlx s GLN 403 N -2.52 0.48 -0.01 0.03 -0.21 -0.94 -4.68 119.66 111.81 3dlx s GLN 403 Ca -0.18 0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.25 3dlx s GLN 403 Cb 0.07 0.22 -0.01 0.00 1.00 0.00 0.00 33.01 34.29 3dlx s GLN 403 CO 0.75 -0.11 -0.14 0.08 -2.12 0.00 0.00 175.29 173.75 3dlx s VAL 404 N -0.71 1.12 0.41 1.09 1.01 -0.28 -1.07 120.40 121.97 3dlx s VAL 404 Ca -0.08 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3dlx s VAL 404 Cb -0.04 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3dlx s VAL 404 CO 0.02 0.31 0.59 -0.94 0.00 0.00 0.00 175.10 175.08 3dlx s SER 405 N -0.36 5.80 0.43 3.32 1.04 0.08 -1.97 113.70 122.03 3dlx s SER 405 Ca 0.05 -0.02 0.24 0.00 0.48 0.00 0.00 55.95 56.70 3dlx s SER 405 Cb -0.06 -1.23 1.24 0.00 0.10 0.00 0.00 66.02 66.07 3dlx s SER 405 CO -0.00 -0.66 1.74 0.50 0.98 0.00 0.00 173.24 175.79 3dlx h LYS 406 N 0.58 0.26 -0.42 4.02 3.64 -0.72 -1.00 116.57 122.94 3dlx h LYS 406 Ca -0.45 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3dlx h LYS 406 Cb 1.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3dlx h LYS 406 CO 0.53 0.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.55 3dlx n TYR 407 N -4.59 0.56 0.00 1.91 4.01 -1.26 -3.39 117.16 114.40 3dlx n TYR 407 Ca 0.28 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3dlx n TYR 407 Cb 1.07 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 3dlx n TYR 407 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dlx n GLY 408 N 0.85 1.14 3.78 2.72 0.00 -0.38 -4.10 105.19 109.20 3dlx n GLY 408 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3dlx n GLY 408 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dlx s ASP 409 N -2.00 6.00 -0.07 1.61 1.01 -1.26 -0.64 116.67 121.33 3dlx s ASP 409 Ca 0.00 2.20 0.03 0.00 0.71 0.00 0.00 52.55 55.49 3dlx s ASP 409 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 3dlx s ASP 409 CO 0.00 -1.02 -0.15 -0.22 0.21 0.00 0.00 175.17 173.99 3dlx s LEU 410 N -3.41 1.76 -0.24 1.23 2.96 -0.32 -0.74 118.68 119.91 3dlx s LEU 410 Ca 0.68 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3dlx s LEU 410 Cb -0.25 -0.93 0.04 0.00 0.50 0.00 0.00 46.19 45.55 3dlx s LEU 410 CO 0.29 0.07 -0.11 0.00 -1.32 0.00 0.00 176.35 175.28 3dlx s ALA 411 N 0.51 2.56 0.00 5.97 0.00 -0.23 0.07 121.76 130.64 3dlx s ALA 411 Ca -0.14 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.25 3dlx s ALA 411 Cb -0.15 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.43 3dlx s ALA 411 CO 0.04 -0.92 0.50 0.27 0.00 0.00 0.00 175.76 175.65 3dlx n ASN 412 N 4.54 0.00 0.00 0.00 6.94 -1.26 -1.04 115.26 124.44 3dlx n ASN 412 Ca -0.16 -1.24 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 3dlx n ASN 412 Cb 0.45 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 3dlx n ASN 412 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 3dlx n TRP 413 N 0.00 0.00 -3.75 -2.53 4.27 -1.26 -4.85 117.44 109.32 3dlx n TRP 413 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 3dlx n TRP 413 Cb 0.55 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.38 3dlx n TRP 413 CO 0.00 0.00 0.00 1.41 -2.29 0.00 0.00 177.69 176.81 3dlx s MET 414 N -1.59 0.26 -0.31 -2.67 0.00 -1.26 -4.28 119.30 109.44 3dlx s MET 414 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 55.69 56.17 3dlx s MET 414 Cb 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 34.83 34.89 3dlx s MET 414 CO 0.00 -0.11 0.02 0.42 0.00 0.00 0.00 175.02 175.34 3dlx s ILE 415 N 0.83 2.77 0.17 10.11 1.01 -0.37 -4.28 121.20 131.44 3dlx s ILE 415 Ca -0.06 -1.68 -0.34 0.00 0.00 0.00 0.00 60.65 58.58 3dlx s ILE 415 Cb -0.07 -2.71 -0.15 0.00 0.01 0.00 0.00 42.46 39.55 3dlx s ILE 415 CO -0.05 -0.25 1.43 -2.65 0.00 0.00 0.00 174.94 173.41 3dlx n PRO 416 N 4.53 1.79 0.00 2.79 -0.02 -1.26 -1.67 135.00 141.15 3dlx n PRO 416 Ca -0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3dlx n PRO 416 Cb 0.43 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3dlx n PRO 416 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dlx n GLY 417 N 2.69 2.93 0.65 -1.23 0.00 -1.26 -4.87 105.19 104.10 3dlx n GLY 417 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3dlx n GLY 417 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dlx n LYS 418 N 0.00 0.00 -3.51 1.61 2.85 -0.67 -4.97 118.16 113.47 3dlx n LYS 418 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 3dlx n LYS 418 Cb 0.00 -0.14 -0.08 0.00 -0.65 0.00 0.00 35.03 34.16 3dlx n LYS 418 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 3dlx s MET 419 N -0.94 2.64 -0.60 -1.58 -2.45 -1.07 -4.97 119.30 110.33 3dlx s MET 419 Ca 0.00 -1.65 0.06 0.00 -1.25 0.00 0.00 55.69 52.85 3dlx s MET 419 Cb 0.00 -3.98 0.23 0.00 1.25 0.00 0.00 34.83 32.34 3dlx s MET 419 CO 0.00 -1.15 0.65 0.28 1.05 0.00 0.00 175.02 175.85 3dlx n VAL 420 N 5.00 1.59 0.70 10.11 0.31 -1.26 -1.23 118.33 133.54 3dlx n VAL 420 Ca -0.10 -4.89 0.08 0.00 -0.01 0.00 0.00 64.34 59.42 3dlx n VAL 420 Cb 0.41 -2.07 -0.10 0.00 -0.91 0.00 0.00 33.84 31.17 3dlx n VAL 420 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3dlx n LYS 421 N 1.20 1.28 0.00 5.55 5.02 -1.26 -4.92 118.16 125.03 3dlx n LYS 421 Ca 0.27 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3dlx n LYS 421 Cb 0.42 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3dlx n LYS 421 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dlx n GLY 422 N 1.41 1.46 0.14 0.72 0.00 -1.26 0.03 105.19 107.70 3dlx n GLY 422 Ca 0.02 -2.05 0.11 0.00 0.00 0.00 0.00 46.02 44.10 3dlx n GLY 422 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3dlx n MET 423 N 1.13 0.35 0.00 1.61 0.00 -0.90 -4.86 117.12 114.45 3dlx n MET 423 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.42 3dlx n MET 423 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.73 3dlx n MET 423 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3dlx n GLY 424 N 1.47 3.06 0.93 3.17 0.00 -0.53 -1.61 105.19 111.69 3dlx n GLY 424 Ca 0.06 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 45.96 3dlx n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlx n GLY 425 N 0.00 1.26 0.33 -0.02 0.00 -1.26 -1.02 105.19 104.48 3dlx n GLY 425 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 3dlx n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlx h ALA 426 N 4.16 0.98 -0.15 4.61 0.00 -1.72 -1.36 119.26 125.79 3dlx h ALA 426 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3dlx h ALA 426 Cb 0.74 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dlx h ALA 426 CO 0.00 0.66 -0.41 0.52 0.00 0.00 0.00 179.25 180.01 3dlx h MET 427 N 1.11 0.34 -0.35 0.00 2.86 -1.79 -2.83 114.93 114.27 3dlx h MET 427 Ca 0.24 -0.17 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 3dlx h MET 427 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3dlx h MET 427 CO -0.01 0.70 -0.34 -0.44 1.06 0.00 0.00 176.91 177.88 3dlx h ASP 428 N 0.28 0.84 0.47 1.22 3.32 -1.75 -3.18 116.42 117.63 3dlx h ASP 428 Ca 0.02 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 3dlx h ASP 428 Cb 0.85 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3dlx h ASP 428 CO 0.07 1.11 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.51 3dlx h LEU 429 N 0.67 0.00 -3.13 1.55 3.38 -1.03 -2.49 115.31 114.26 3dlx h LEU 429 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dlx h LEU 429 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3dlx h LEU 429 CO 0.08 0.12 0.00 1.33 0.09 0.00 0.00 178.44 180.06 3dlx n VAL 430 N -3.53 1.81 0.10 1.22 0.24 -1.11 -4.62 118.33 112.45 3dlx n VAL 430 Ca -0.01 -1.31 0.11 0.00 -2.04 0.00 0.00 64.34 61.09 3dlx n VAL 430 Cb 0.26 0.11 -0.00 0.00 -1.47 0.00 0.00 33.84 32.74 3dlx n VAL 430 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3dlx h SER 431 N 3.26 0.00 -3.23 -1.34 4.64 -1.42 -3.46 113.55 111.99 3dlx h SER 431 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3dlx h SER 431 Cb 1.34 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.30 3dlx h SER 431 CO 0.20 0.03 -0.52 -0.55 -0.87 0.00 0.00 176.83 175.12 3dlx s SER 432 N -5.40 6.01 0.29 4.97 0.15 -1.26 -4.91 113.70 113.54 3dlx s SER 432 Ca -0.00 0.19 0.22 0.00 0.70 0.00 0.00 55.95 57.06 3dlx s SER 432 Cb 0.09 -2.03 1.07 0.00 -1.71 0.00 0.00 66.02 63.44 3dlx s SER 432 CO 0.79 0.20 1.68 0.00 1.20 0.00 0.00 173.24 177.11 3dlx n ALA 433 N 3.39 1.36 1.66 5.45 0.00 -1.26 -2.47 120.51 128.63 3dlx n ALA 433 Ca -0.17 0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.56 3dlx n ALA 433 Cb 0.52 -1.35 0.66 0.00 0.00 0.00 0.00 19.45 19.29 3dlx n ALA 433 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dlx n LYS 434 N -2.24 1.40 -4.65 0.00 5.02 -1.26 -4.83 118.16 111.60 3dlx n LYS 434 Ca 0.00 -0.62 -0.33 0.00 -2.02 0.00 0.00 58.31 55.35 3dlx n LYS 434 Cb 0.13 -1.49 -0.16 0.00 -0.02 0.00 0.00 35.03 33.50 3dlx n LYS 434 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dlx s THR 435 N -2.03 2.46 0.07 -0.18 2.01 -1.03 -4.79 115.64 112.15 3dlx s THR 435 Ca 0.41 -0.85 -0.31 0.00 0.31 0.00 0.00 61.69 61.25 3dlx s THR 435 Cb 0.21 -2.01 -0.07 0.00 0.01 0.00 0.00 72.50 70.64 3dlx s THR 435 CO 0.35 0.53 1.43 -0.75 -0.69 0.00 0.00 174.62 175.49 3dlx s LYS 436 N 0.75 4.29 -0.25 4.92 2.20 -0.70 -4.89 119.74 126.05 3dlx s LYS 436 Ca -0.07 2.07 -0.06 0.00 -0.36 0.00 0.00 55.97 57.55 3dlx s LYS 436 Cb -0.16 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3dlx s LYS 436 CO 0.01 -0.52 0.04 0.08 -0.36 0.00 0.00 175.35 174.60 3dlx s VAL 437 N 1.70 4.03 -0.13 4.02 1.01 -1.26 -0.83 120.40 128.94 3dlx s VAL 437 Ca 0.65 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.33 3dlx s VAL 437 Cb -0.35 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3dlx s VAL 437 CO 0.29 0.33 -0.15 -0.69 0.00 0.00 0.00 175.10 174.88 3dlx s VAL 438 N 1.57 2.82 -0.17 2.92 1.01 -0.25 -0.68 120.40 127.61 3dlx s VAL 438 Ca 0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 3dlx s VAL 438 Cb -0.15 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3dlx s VAL 438 CO 0.02 0.53 0.06 -0.69 0.00 0.00 0.00 175.10 175.02 3dlx s VAL 439 N 0.39 4.80 -0.25 2.92 1.01 -0.60 -1.19 120.40 127.48 3dlx s VAL 439 Ca -0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 3dlx s VAL 439 Cb -0.16 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.11 3dlx s VAL 439 CO 0.06 0.48 -0.08 0.42 0.00 0.00 0.00 175.10 175.98 3dlx s THR 440 N 0.21 2.63 -0.03 3.92 -4.23 -0.30 -0.71 115.64 117.13 3dlx s THR 440 Ca 0.04 -1.24 -0.22 0.00 -1.18 0.00 0.00 61.69 59.10 3dlx s THR 440 Cb -0.12 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.36 3dlx s THR 440 CO 0.00 0.12 0.47 0.00 -0.54 0.00 0.00 174.62 174.68 3dlx s MET 441 N 1.25 0.85 0.33 3.99 0.23 -0.75 -4.33 119.30 120.86 3dlx s MET 441 Ca -0.03 -0.01 -0.27 0.00 -1.03 0.00 0.00 55.69 54.35 3dlx s MET 441 Cb -0.18 0.39 -0.13 0.00 -1.53 0.00 0.00 34.83 33.38 3dlx s MET 441 CO -0.05 -0.25 1.10 0.39 -2.03 0.00 0.00 175.02 174.17 3dlx n GLU 442 N 1.08 1.60 0.16 3.16 1.02 -1.26 -4.05 120.64 122.35 3dlx n GLU 442 Ca -0.20 0.56 -0.14 0.00 -0.02 0.00 0.00 57.16 57.36 3dlx n GLU 442 Cb 0.57 -2.03 -0.07 0.00 -0.02 0.00 0.00 31.44 29.89 3dlx n GLU 442 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3dlx h HIS 443 N 2.09 -0.41 -2.23 -0.32 -0.00 -1.94 -3.45 115.15 108.88 3dlx h HIS 443 Ca -0.42 -0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.39 3dlx h HIS 443 Cb 1.32 0.15 -0.13 0.00 -0.00 0.00 0.00 27.41 28.75 3dlx h HIS 443 CO 0.48 -0.25 -0.61 -1.12 -0.00 0.00 0.00 177.93 176.43 3dlx s SER 444 N -4.85 3.17 0.34 3.26 0.01 -1.26 -3.80 113.70 110.56 3dlx s SER 444 Ca -0.15 -1.35 0.03 0.00 1.31 0.00 0.00 55.95 55.79 3dlx s SER 444 Cb 0.06 -0.25 0.05 0.00 0.21 0.00 0.00 66.02 66.09 3dlx s SER 444 CO 0.65 -0.49 0.38 0.00 0.41 0.00 0.00 173.24 174.19 3dlx n ALA 445 N -0.82 0.43 -1.77 1.44 0.00 0.31 -4.92 120.51 115.18 3dlx n ALA 445 Ca -0.04 -0.92 -0.41 0.00 0.00 0.00 0.00 53.44 52.07 3dlx n ALA 445 Cb 0.66 0.22 0.01 0.00 0.00 0.00 0.00 19.45 20.35 3dlx n ALA 445 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dlx n LYS 446 N -1.64 2.47 -0.25 0.00 5.02 -1.26 -1.98 118.16 120.52 3dlx n LYS 446 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3dlx n LYS 446 Cb 0.27 -2.63 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 3dlx n LYS 446 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dlx n GLY 447 N 0.52 0.99 2.30 0.72 0.00 -1.26 -3.41 105.19 105.06 3dlx n GLY 447 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 3dlx n GLY 447 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dlx n ASN 448 N 0.00 -4.68 -4.72 1.61 5.15 -0.84 -5.01 115.26 106.77 3dlx n ASN 448 Ca 0.00 -0.02 -0.42 0.00 -0.60 0.00 0.00 54.58 53.54 3dlx n ASN 448 Cb 0.00 -3.80 -0.03 0.00 -0.53 0.00 0.00 39.78 35.42 3dlx n ASN 448 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dlx s ALA 449 N -2.78 3.63 0.36 5.20 0.00 -1.20 -4.80 121.76 122.17 3dlx s ALA 449 Ca 0.00 1.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 3dlx s ALA 449 Cb -0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.46 3dlx s ALA 449 CO 0.01 -0.66 1.36 -1.01 0.00 0.00 0.00 175.76 175.45 3dlx s HIS 450 N 0.77 2.87 -0.06 0.00 0.09 -1.26 -0.53 115.29 117.16 3dlx s HIS 450 Ca 0.64 1.35 0.11 0.00 -0.00 0.00 0.00 55.06 57.15 3dlx s HIS 450 Cb -0.39 -3.77 -0.16 0.00 -0.00 0.00 0.00 32.58 28.25 3dlx s HIS 450 CO 0.34 -2.22 0.26 1.63 -0.00 0.00 0.00 174.74 174.75 3dlx n LYS 451 N 0.57 0.64 -3.85 1.40 5.02 -1.25 -4.77 118.16 115.92 3dlx n LYS 451 Ca 0.01 -0.09 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 3dlx n LYS 451 Cb 0.41 -1.23 -0.12 0.00 -0.02 0.00 0.00 35.03 34.07 3dlx n LYS 451 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dlx s ILE 452 N -2.68 4.39 0.25 -0.18 1.01 -1.26 -1.13 121.20 121.61 3dlx s ILE 452 Ca -0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 3dlx s ILE 452 Cb 0.07 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 3dlx s ILE 452 CO 0.45 0.37 0.40 0.00 0.00 0.00 0.00 174.94 176.16 3dlx s MET 453 N 1.29 1.54 0.09 2.79 0.23 -0.83 0.77 119.30 125.17 3dlx s MET 453 Ca 0.05 -1.43 -0.21 0.00 -1.03 0.00 0.00 55.69 53.07 3dlx s MET 453 Cb -0.15 0.42 -0.10 0.00 -1.53 0.00 0.00 34.83 33.47 3dlx s MET 453 CO 0.03 -0.61 1.63 1.05 -2.03 0.00 0.00 175.02 175.09 3dlx h GLU 454 N 2.31 0.24 -3.41 3.16 9.09 -1.88 0.20 114.58 124.30 3dlx h GLU 454 Ca -0.29 -0.04 -0.21 0.00 0.05 0.00 0.00 59.36 58.87 3dlx h GLU 454 Cb 1.25 -0.04 -0.28 0.00 -1.65 0.00 0.00 28.75 28.03 3dlx h GLU 454 CO 0.40 0.32 -0.59 -1.59 0.05 0.00 0.00 179.01 177.60 3dlx s LYS 455 N -5.57 0.12 0.60 1.06 0.00 -1.26 -3.95 119.74 110.74 3dlx s LYS 455 Ca -0.14 0.21 -0.18 0.00 0.00 0.00 0.00 55.97 55.86 3dlx s LYS 455 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 37.83 37.88 3dlx s LYS 455 CO 0.70 -0.05 1.18 0.00 0.00 0.00 0.00 175.35 177.18 3dlx n THR 457 N -1.69 0.00 -4.07 0.00 -2.24 -1.26 -5.00 114.28 100.02 3dlx n THR 457 Ca 0.13 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 3dlx n THR 457 Cb 0.50 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 3dlx n THR 457 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dlx s LEU 458 N -2.49 3.87 0.23 3.22 1.43 -1.26 -5.06 118.68 118.61 3dlx s LEU 458 Ca 0.06 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 52.73 3dlx s LEU 458 Cb 0.10 -2.46 -0.15 0.00 0.03 0.00 0.00 46.19 43.71 3dlx s LEU 458 CO 0.49 0.05 1.15 -2.65 0.23 0.00 0.00 176.35 175.62 3dlx n PRO 459 N -0.53 1.41 -2.52 1.29 -0.02 -1.26 -4.83 135.00 128.54 3dlx n PRO 459 Ca -0.08 0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 61.49 3dlx n PRO 459 Cb 0.55 -1.98 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 3dlx n PRO 459 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3dlx s LEU 460 N 0.45 4.54 0.01 2.45 1.43 -1.26 -4.27 118.68 122.02 3dlx s LEU 460 Ca 0.66 2.17 -0.03 0.00 -1.03 0.00 0.00 54.13 55.90 3dlx s LEU 460 Cb -0.75 -3.62 -0.28 0.00 0.03 0.00 0.00 46.19 41.57 3dlx s LEU 460 CO 0.55 -0.14 0.87 0.74 0.23 0.00 0.00 176.35 178.60 3dlx h THR 461 N 3.33 1.16 -2.60 5.49 2.02 -0.73 -3.42 112.91 118.16 3dlx h THR 461 Ca -0.46 -2.80 0.14 0.00 0.77 0.00 0.00 66.41 64.06 3dlx h THR 461 Cb 1.21 2.77 -0.07 0.00 -1.74 0.00 0.00 68.15 70.32 3dlx h THR 461 CO 0.69 0.82 0.39 -0.83 0.37 0.00 0.00 175.52 176.96 3dlx s GLY 462 N -4.94 -0.18 -0.13 2.16 0.00 -1.17 -4.49 107.32 98.56 3dlx s GLY 462 Ca -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.57 3dlx s GLY 462 CO 0.86 -0.03 -0.07 1.25 0.00 0.00 0.00 173.10 175.10 3dlx s LYS 463 N -3.53 3.44 -1.32 2.90 2.20 -1.26 -1.18 119.74 120.98 3dlx s LYS 463 Ca 0.12 -0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 54.99 3dlx s LYS 463 Cb -0.03 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.52 3dlx s LYS 463 CO 0.04 0.31 0.48 1.04 -0.36 0.00 0.00 175.35 176.86 3dlx n GLN 464 N 3.31 -1.29 0.00 4.03 6.02 -1.22 -4.84 117.38 123.40 3dlx n GLN 464 Ca -0.18 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3dlx n GLN 464 Cb 0.53 -3.54 0.00 0.00 1.02 0.00 0.00 30.24 28.24 3dlx n GLN 464 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dlx s VAL 466 N -1.40 4.91 -0.16 0.00 1.01 -0.25 -4.47 120.40 120.03 3dlx s VAL 466 Ca 0.00 1.33 0.10 0.00 0.00 0.00 0.00 61.98 63.41 3dlx s VAL 466 Cb 0.00 -3.97 -0.23 0.00 0.00 0.00 0.00 36.38 32.18 3dlx s VAL 466 CO 0.00 0.38 0.22 0.59 0.00 0.00 0.00 175.10 176.29 3dlx n ASN 467 N 2.92 0.91 -3.76 3.32 4.13 0.15 -4.66 115.26 118.26 3dlx n ASN 467 Ca -0.05 0.12 -0.13 0.00 1.68 0.00 0.00 54.58 56.19 3dlx n ASN 467 Cb 0.51 0.19 -0.10 0.00 -1.54 0.00 0.00 39.78 38.84 3dlx n ASN 467 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3dlx s ARG 468 N -2.53 0.53 -0.16 3.52 3.52 -1.07 -1.03 118.95 121.73 3dlx s ARG 468 Ca -0.15 0.10 0.01 0.00 -0.13 0.00 0.00 55.73 55.57 3dlx s ARG 468 Cb 0.07 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.72 3dlx s ARG 468 CO 0.78 -0.12 -0.19 0.42 -0.81 0.00 0.00 175.30 175.38 3dlx s ILE 469 N -0.63 2.23 -0.20 4.11 1.01 -0.36 -1.55 121.20 125.80 3dlx s ILE 469 Ca -0.07 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 3dlx s ILE 469 Cb -0.04 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 3dlx s ILE 469 CO 0.02 0.53 -0.02 -0.63 0.00 0.00 0.00 174.94 174.85 3dlx s ILE 470 N 1.01 3.71 0.11 2.92 1.01 0.11 -1.42 121.20 128.65 3dlx s ILE 470 Ca -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.24 3dlx s ILE 470 Cb -0.15 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.65 3dlx s ILE 470 CO -0.06 0.43 0.00 0.35 0.00 0.00 0.00 174.94 175.67 3dlx n THR 471 N 4.36 0.00 0.67 2.92 -2.24 -0.75 -1.81 114.28 117.43 3dlx n THR 471 Ca -0.17 -0.52 0.13 0.00 -2.27 0.00 0.00 64.05 61.22 3dlx n THR 471 Cb 0.52 0.11 0.43 0.00 -2.10 0.00 0.00 70.33 69.29 3dlx n THR 471 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3dlx n GLU 472 N -0.27 0.23 -0.00 -0.78 0.00 -1.26 -4.05 120.64 114.50 3dlx n GLU 472 Ca -0.04 0.19 0.05 0.00 0.00 0.00 0.00 57.16 57.35 3dlx n GLU 472 Cb 0.14 -1.77 -0.07 0.00 0.00 0.00 0.00 31.44 29.74 3dlx n GLU 472 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3dlx n LYS 473 N -2.17 0.29 -3.62 3.44 5.02 -1.26 -4.72 118.16 115.15 3dlx n LYS 473 Ca 0.06 -0.08 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 3dlx n LYS 473 Cb 0.42 -1.21 -0.07 0.00 -0.02 0.00 0.00 35.03 34.15 3dlx n LYS 473 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dlx s ALA 474 N -2.62 -1.42 -0.09 7.82 0.00 -1.26 -1.78 121.76 122.41 3dlx s ALA 474 Ca -0.03 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3dlx s ALA 474 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.09 3dlx s ALA 474 CO 0.37 -0.32 -0.16 0.08 0.00 0.00 0.00 175.76 175.73 3dlx s VAL 475 N -1.05 1.51 -0.07 0.00 1.01 -0.72 -1.81 120.40 119.27 3dlx s VAL 475 Ca -0.10 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3dlx s VAL 475 Cb -0.02 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3dlx s VAL 475 CO 0.07 0.44 -0.16 -0.36 0.00 0.00 0.00 175.10 175.09 3dlx s PHE 476 N 0.75 2.68 0.26 5.22 0.08 -0.51 -0.63 117.98 125.84 3dlx s PHE 476 Ca -0.12 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.29 3dlx s PHE 476 Cb -0.16 -1.68 -0.09 0.00 -0.57 0.00 0.00 43.02 40.52 3dlx s PHE 476 CO 0.02 0.01 0.89 -0.51 -0.10 0.00 0.00 175.22 175.53 3dlx s ASP 477 N -0.35 7.41 -0.09 1.36 1.01 0.15 -1.22 116.67 124.93 3dlx s ASP 477 Ca 0.03 1.78 0.03 0.00 0.71 0.00 0.00 52.55 55.11 3dlx s ASP 477 Cb -0.12 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 3dlx s ASP 477 CO 0.02 0.06 -0.19 -0.69 0.21 0.00 0.00 175.17 174.58 3dlx s VAL 478 N -1.39 2.54 -0.05 -1.27 1.01 -0.20 -1.04 120.40 120.01 3dlx s VAL 478 Ca 0.44 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3dlx s VAL 478 Cb -0.21 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.18 3dlx s VAL 478 CO 0.26 0.56 -0.13 -0.62 0.00 0.00 0.00 175.10 175.17 3dlx s ASP 479 N 0.01 1.82 0.64 3.32 2.15 0.16 -4.71 116.67 120.07 3dlx s ASP 479 Ca -0.07 -0.30 0.38 0.00 0.43 0.00 0.00 52.55 52.99 3dlx s ASP 479 Cb -0.15 -0.69 2.14 0.00 -0.30 0.00 0.00 42.92 43.92 3dlx s ASP 479 CO 0.05 0.08 2.30 0.07 -0.17 0.00 0.00 175.17 177.49 3dlx h LYS 480 N 6.67 0.00 0.00 4.34 2.10 -1.86 -0.04 116.57 127.78 3dlx h LYS 480 Ca -0.31 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.09 3dlx h LYS 480 Cb 1.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 3dlx h LYS 480 CO 0.48 0.00 -1.92 1.63 -2.00 0.00 0.00 179.45 177.64 3dlx n LYS 481 N -3.39 0.40 0.01 0.07 5.02 -1.26 -4.77 118.16 114.24 3dlx n LYS 481 Ca -0.03 0.10 0.03 0.00 -2.02 0.00 0.00 58.31 56.39 3dlx n LYS 481 Cb 0.11 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3dlx n LYS 481 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dlx n LYS 482 N -3.03 0.64 0.00 1.97 5.02 -1.19 -5.09 118.16 116.47 3dlx n LYS 482 Ca -0.29 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 3dlx n LYS 482 Cb 0.80 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3dlx n LYS 482 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dlx n GLY 483 N 1.38 0.67 3.89 0.72 0.00 -0.03 -4.94 105.19 106.88 3dlx n GLY 483 Ca -0.10 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 3dlx n GLY 483 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlx s LEU 484 N 0.00 4.35 -0.11 0.99 1.43 -1.22 -0.66 118.68 123.46 3dlx s LEU 484 Ca 0.00 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 3dlx s LEU 484 Cb 0.00 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.46 3dlx s LEU 484 CO 0.00 0.22 -0.05 -0.89 0.23 0.00 0.00 176.35 175.86 3dlx s THR 485 N -1.38 0.83 -0.14 5.49 2.01 -0.20 -1.55 115.64 120.69 3dlx s THR 485 Ca 0.30 -0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.77 3dlx s THR 485 Cb -0.13 -0.94 -0.03 0.00 0.01 0.00 0.00 72.50 71.41 3dlx s THR 485 CO 0.19 0.27 1.53 -0.22 -0.69 0.00 0.00 174.62 175.71 3dlx s LEU 486 N 1.78 4.14 -0.04 4.42 2.96 0.16 -0.67 118.68 131.42 3dlx s LEU 486 Ca 0.04 1.87 0.11 0.00 -0.22 0.00 0.00 54.13 55.93 3dlx s LEU 486 Cb -0.13 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 3dlx s LEU 486 CO -0.07 -0.99 0.21 2.30 -1.32 0.00 0.00 176.35 176.47 3dlx n ILE 487 N 5.77 0.17 -4.02 6.68 -5.35 0.20 -1.53 119.36 121.29 3dlx n ILE 487 Ca 0.17 -0.32 -0.08 0.00 -0.27 0.00 0.00 62.75 62.25 3dlx n ILE 487 Cb 0.44 0.02 -0.10 0.00 -1.74 0.00 0.00 39.64 38.26 3dlx n ILE 487 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3dlx s GLU 488 N -2.70 0.61 -0.18 6.28 2.02 -1.13 -2.77 118.70 120.83 3dlx s GLU 488 Ca -0.05 -1.03 -0.08 0.00 0.02 0.00 0.00 54.97 53.83 3dlx s GLU 488 Cb 0.07 0.22 0.07 0.00 0.10 0.00 0.00 34.13 34.59 3dlx s GLU 488 CO 0.48 -0.13 0.41 -1.17 0.02 0.00 0.00 175.26 174.87 3dlx s LEU 489 N -2.61 -0.33 0.43 1.80 2.96 -0.68 -1.76 118.68 118.49 3dlx s LEU 489 Ca 0.02 0.93 -0.26 0.00 -0.22 0.00 0.00 54.13 54.61 3dlx s LEU 489 Cb 0.04 1.34 -0.09 0.00 0.50 0.00 0.00 46.19 47.98 3dlx s LEU 489 CO -0.08 -0.21 1.41 1.87 -1.32 0.00 0.00 176.35 178.01 3dlx n TRP 490 N 4.74 2.62 -2.37 5.38 -0.00 -0.73 -2.19 117.44 124.89 3dlx n TRP 490 Ca -0.17 0.45 -0.43 0.00 -0.00 0.00 0.00 57.50 57.36 3dlx n TRP 490 Cb 0.53 -2.45 -0.02 0.00 -0.00 0.00 0.00 31.31 29.36 3dlx n TRP 490 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 177.69 175.86 3dlx s GLU 491 N -2.34 4.18 0.00 5.87 -1.05 -1.26 -0.93 118.70 123.17 3dlx s GLU 491 Ca 0.60 1.68 0.00 0.00 -0.15 0.00 0.00 54.97 57.10 3dlx s GLU 491 Cb -0.47 -3.81 0.00 0.00 -0.44 0.00 0.00 34.13 29.41 3dlx s GLU 491 CO 0.59 -0.78 0.00 0.41 0.95 0.00 0.00 175.26 176.42 3dlx n GLY 492 N 3.78 0.76 3.94 -3.83 0.00 -1.26 -5.10 105.19 103.48 3dlx n GLY 492 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 3dlx n GLY 492 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlx s LEU 493 N 0.00 4.01 0.17 0.99 1.43 -0.11 -5.13 118.68 120.05 3dlx s LEU 493 Ca 0.00 0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 3dlx s LEU 493 Cb 0.00 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 3dlx s LEU 493 CO 0.00 -0.30 -0.04 -0.89 0.23 0.00 0.00 176.35 175.35 3dlx s THR 494 N -2.31 3.50 0.27 5.49 2.01 -1.26 -4.93 115.64 118.41 3dlx s THR 494 Ca 0.40 -1.51 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 3dlx s THR 494 Cb -0.10 -2.75 0.25 0.00 0.01 0.00 0.00 72.50 69.92 3dlx s THR 494 CO 0.36 -0.10 1.81 0.58 -0.69 0.00 0.00 174.62 176.57 3dlx h VAL 495 N 2.59 0.87 -0.72 3.82 2.07 -1.99 -1.48 116.25 121.40 3dlx h VAL 495 Ca -0.47 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3dlx h VAL 495 Cb 1.20 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3dlx h VAL 495 CO 0.56 0.15 0.31 -0.78 0.02 0.00 0.00 177.57 177.83 3dlx h ASP 496 N 0.84 0.97 -0.62 0.57 1.82 -1.99 -1.15 116.42 116.86 3dlx h ASP 496 Ca 0.46 -0.13 0.04 0.00 -0.39 0.00 0.00 57.03 57.01 3dlx h ASP 496 Cb 0.50 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 40.22 3dlx h ASP 496 CO -0.28 0.85 0.36 0.44 -1.61 0.00 0.00 179.24 178.99 3dlx h ASP 497 N 1.04 0.56 -0.36 2.28 3.32 -1.69 -1.65 116.42 119.92 3dlx h ASP 497 Ca 0.25 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 3dlx h ASP 497 Cb 0.17 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3dlx h ASP 497 CO -0.02 0.38 -0.21 0.58 -1.72 0.00 0.00 179.24 178.24 3dlx h VAL 498 N 0.69 1.29 -0.42 -1.35 2.07 -1.19 -2.96 116.25 114.38 3dlx h VAL 498 Ca 0.26 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.48 3dlx h VAL 498 Cb 0.10 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3dlx h VAL 498 CO -0.14 0.44 0.28 -0.61 0.02 0.00 0.00 177.57 177.56 3dlx h GLN 499 N 0.56 0.38 0.00 1.57 5.75 -0.94 -1.30 115.11 121.13 3dlx h GLN 499 Ca 0.08 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3dlx h GLN 499 Cb 0.76 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.23 3dlx h GLN 499 CO 0.06 0.25 0.00 0.87 -2.65 0.00 0.00 178.83 177.36 3dlx h LYS 500 N 0.39 0.00 -0.24 1.69 6.56 -1.13 -2.90 116.57 120.94 3dlx h LYS 500 Ca 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.77 3dlx h LYS 500 Cb 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.87 3dlx h LYS 500 CO -0.04 0.00 0.00 0.43 -2.06 0.00 0.00 179.45 177.78 3dlx n SER 501 N -2.54 2.93 -3.93 0.86 7.64 -0.52 -4.97 113.62 113.09 3dlx n SER 501 Ca 0.02 -2.30 -0.26 0.00 1.01 0.00 0.00 58.87 57.33 3dlx n SER 501 Cb 0.26 -0.27 -0.17 0.00 -1.01 0.00 0.00 64.21 63.02 3dlx n SER 501 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3dlx s THR 502 N -1.53 1.04 -1.83 0.44 2.01 -1.04 -4.65 115.64 110.07 3dlx s THR 502 Ca 0.24 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.91 3dlx s THR 502 Cb 0.16 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3dlx s THR 502 CO 0.10 0.36 0.78 0.61 -0.69 0.00 0.00 174.62 175.79 3dlx n GLY 503 N 4.66 -0.50 3.37 4.40 0.00 0.23 -4.79 105.19 112.57 3dlx n GLY 503 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3dlx n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlx s ASP 505 N -3.01 3.79 -0.00 0.00 -4.77 -1.26 -5.00 116.67 106.42 3dlx s ASP 505 Ca 0.22 1.30 -0.27 0.00 -3.30 0.00 0.00 52.55 50.50 3dlx s ASP 505 Cb 0.03 -1.98 0.06 0.00 -1.09 0.00 0.00 42.92 39.94 3dlx s ASP 505 CO 0.04 -2.41 0.60 0.72 0.70 0.00 0.00 175.17 174.82 3dlx s PHE 506 N -3.08 -0.55 0.33 2.11 -0.12 -1.26 -4.70 117.98 110.70 3dlx s PHE 506 Ca 0.63 0.82 -0.14 0.00 -0.05 0.00 0.00 56.93 58.18 3dlx s PHE 506 Cb -0.16 0.39 -0.09 0.00 -0.63 0.00 0.00 43.02 42.53 3dlx s PHE 506 CO 0.55 -0.63 0.74 0.00 -0.05 0.00 0.00 175.22 175.83 3dlx s ALA 507 N -1.78 3.33 -0.15 1.99 0.00 -0.60 -4.89 121.76 119.65 3dlx s ALA 507 Ca -0.09 0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.83 3dlx s ALA 507 Cb -0.01 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3dlx s ALA 507 CO 0.04 0.30 0.03 0.08 0.00 0.00 0.00 175.76 176.21 3dlx s VAL 508 N -2.02 4.48 0.40 0.00 1.01 -1.26 0.37 120.40 123.38 3dlx s VAL 508 Ca 0.54 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 3dlx s VAL 508 Cb -0.10 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3dlx s VAL 508 CO 0.19 0.50 1.22 -0.55 0.00 0.00 0.00 175.10 176.46 3dlx s SER 509 N 0.09 6.47 0.32 3.32 0.15 -0.58 -4.89 113.70 118.58 3dlx s SER 509 Ca 0.03 2.46 0.24 0.00 0.70 0.00 0.00 55.95 59.38 3dlx s SER 509 Cb -0.13 -2.62 1.17 0.00 -1.71 0.00 0.00 66.02 62.73 3dlx s SER 509 CO 0.01 -0.72 1.72 -0.65 1.20 0.00 0.00 173.24 174.80 3dlx h PRO 510 N 2.71 0.00 -0.64 5.44 0.11 -1.99 -2.63 132.00 134.99 3dlx h PRO 510 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dlx h PRO 510 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3dlx h PRO 510 CO 0.63 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.05 3dlx n LYS 511 N -2.31 3.61 -1.54 1.05 4.01 -1.26 -5.03 118.16 116.69 3dlx n LYS 511 Ca -0.00 -2.44 -0.48 0.00 -0.51 0.00 0.00 58.31 54.87 3dlx n LYS 511 Cb 0.11 -1.92 -0.03 0.00 -0.51 0.00 0.00 35.03 32.68 3dlx n LYS 511 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 3dlx n LEU 512 N 0.76 1.00 -3.99 -0.35 7.94 -1.00 -4.95 117.00 116.41 3dlx n LEU 512 Ca 0.22 1.15 -0.08 0.00 -1.11 0.00 0.00 56.01 56.19 3dlx n LEU 512 Cb 0.86 -1.17 -0.10 0.00 0.53 0.00 0.00 43.42 43.54 3dlx n LEU 512 CO 0.23 -1.68 -0.28 -0.32 -1.11 0.00 0.00 177.39 174.23 3dlx s MET 513 N -0.81 0.57 0.66 1.96 -2.45 -1.11 -5.01 119.30 113.10 3dlx s MET 513 Ca 0.68 -0.91 -0.17 0.00 -1.25 0.00 0.00 55.69 54.04 3dlx s MET 513 Cb -0.85 0.21 -0.03 0.00 1.25 0.00 0.00 34.83 35.41 3dlx s MET 513 CO 0.55 -0.13 0.85 -2.30 1.05 0.00 0.00 175.02 175.04 3dlx n PRO 514 N 0.60 0.63 -2.47 4.11 -0.02 -1.26 -1.69 135.00 134.90 3dlx n PRO 514 Ca -0.18 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.14 3dlx n PRO 514 Cb 0.59 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 3dlx n PRO 514 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3dlx s MET 515 N -2.88 4.36 0.75 -0.52 1.75 -0.93 -4.57 119.30 117.26 3dlx s MET 515 Ca 0.73 1.66 -0.11 0.00 -1.25 0.00 0.00 55.69 56.72 3dlx s MET 515 Cb -0.38 -3.55 0.04 0.00 2.84 0.00 0.00 34.83 33.78 3dlx s MET 515 CO 0.50 -0.43 1.08 -0.65 -0.65 0.00 0.00 175.02 174.87 3dlx s GLN 516 N 2.16 2.44 -0.07 4.11 -0.21 -1.26 -4.86 119.66 121.98 3dlx s GLN 516 Ca 0.55 0.91 -0.03 0.00 0.02 0.00 0.00 55.36 56.82 3dlx s GLN 516 Cb -0.24 -1.94 0.04 0.00 1.00 0.00 0.00 33.01 31.87 3dlx s GLN 516 CO 0.22 -1.44 0.15 -0.65 -2.12 0.00 0.00 175.29 171.45 3dlx s GLN 517 N -5.03 0.09 0.16 2.91 -1.52 -1.26 -4.31 119.66 110.70 3dlx s GLN 517 Ca 0.60 0.42 -0.32 0.00 -1.95 0.00 0.00 55.36 54.11 3dlx s GLN 517 Cb -0.15 -0.19 -0.10 0.00 -0.22 0.00 0.00 33.01 32.35 3dlx s GLN 517 CO 0.55 -0.19 1.57 -1.50 -0.25 0.00 0.00 175.29 175.47 3dlx s ILE 518 N 1.38 2.63 0.00 1.08 2.07 -0.27 -5.00 121.20 123.09 3dlx s ILE 518 Ca -0.07 0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 3dlx s ILE 518 Cb -0.12 -3.29 0.00 0.00 0.13 0.00 0.00 42.46 39.19 3dlx s ILE 518 CO -0.06 0.03 0.18 0.00 -1.91 0.00 0.00 174.94 173.19