#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 4.14 -0.09 -2.82 2.20 0.30 -4.98 119.74 118.49 3dlx s LYS 41 Ca 0.00 -0.09 -0.14 0.00 -0.36 0.00 0.00 55.97 55.39 3dlx s LYS 41 Cb 0.00 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 3dlx s LYS 41 CO 0.00 0.33 0.33 -0.06 -0.36 0.00 0.00 175.35 175.60 3dlx s PHE 42 N 0.23 3.59 0.04 4.03 0.40 -1.26 -0.68 117.98 124.32 3dlx s PHE 42 Ca 0.12 0.77 0.07 0.00 -0.60 0.00 0.00 56.93 57.29 3dlx s PHE 42 Cb -0.12 -2.28 -0.02 0.00 0.51 0.00 0.00 43.02 41.10 3dlx s PHE 42 CO 0.01 0.46 -0.22 0.71 0.70 0.00 0.00 175.22 176.88 3dlx s TYR 43 N -0.32 1.89 -0.12 0.36 1.51 -0.32 -4.94 117.35 115.41 3dlx s TYR 43 Ca 0.20 -0.38 0.20 0.00 -1.01 0.00 0.00 57.07 56.08 3dlx s TYR 43 Cb -0.14 -1.14 -0.23 0.00 -0.11 0.00 0.00 41.96 40.34 3dlx s TYR 43 CO 0.08 0.08 0.51 0.25 -1.11 0.00 0.00 175.55 175.36 3dlx n THR 44 N 1.93 0.77 -3.47 -0.71 -2.24 -1.26 -4.40 114.28 104.90 3dlx n THR 44 Ca -0.17 -0.66 -0.43 0.00 -2.27 0.00 0.00 64.05 60.53 3dlx n THR 44 Cb 0.53 -0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 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 -5.21 6.01 0.45 3.42 -1.08 -1.26 -4.98 116.67 114.02 3dlx s ASP 45 Ca -0.07 -1.18 0.16 0.00 -0.52 0.00 0.00 52.55 50.95 3dlx s ASP 45 Cb 0.10 -2.13 1.03 0.00 -1.46 0.00 0.00 42.92 40.47 3dlx s ASP 45 CO 0.85 -0.54 1.98 1.55 0.52 0.00 0.00 175.17 179.53 3dlx h PRO 46 N 8.63 0.00 -0.77 4.34 0.13 -1.94 -2.48 132.00 139.91 3dlx h PRO 46 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 3dlx h PRO 46 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 3dlx h PRO 46 CO 0.79 0.20 0.32 0.28 -0.23 0.00 0.00 178.00 179.36 3dlx h VAL 47 N 0.00 1.25 -0.87 1.56 2.07 -1.93 -2.98 116.25 115.35 3dlx h VAL 47 Ca -0.00 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3dlx h VAL 47 Cb 0.37 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3dlx h VAL 47 CO 0.03 0.32 0.46 -0.08 0.02 0.00 0.00 177.57 178.32 3dlx h GLU 48 N 1.11 1.23 0.00 1.57 4.57 -1.87 -0.63 114.58 120.56 3dlx h GLU 48 Ca 0.26 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3dlx h GLU 48 Cb 0.19 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3dlx h GLU 48 CO -0.02 0.91 0.00 0.00 -1.18 0.00 0.00 179.01 178.72 3dlx h ALA 49 N 1.25 1.00 0.00 2.92 0.00 -1.37 -3.22 119.26 119.84 3dlx h ALA 49 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3dlx h ALA 49 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dlx h ALA 49 CO -0.05 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.53 3dlx n VAL 50 N -3.08 0.77 0.35 0.00 0.24 -1.05 -4.82 118.33 110.74 3dlx n VAL 50 Ca -0.01 -0.84 0.13 0.00 -2.04 0.00 0.00 64.34 61.59 3dlx n VAL 50 Cb 0.23 0.63 0.56 0.00 -1.47 0.00 0.00 33.84 33.78 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 -0.25 7.34 3.64 -1.13 -2.67 116.57 123.51 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 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 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 -2.41 2.62 -4.64 4.20 5.75 -1.26 -4.92 116.55 115.88 3dlx n ASP 52 Ca 0.01 -1.85 -0.43 0.00 -0.01 0.00 0.00 54.79 52.52 3dlx n ASP 52 Cb 0.22 -0.16 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 3dlx n ASP 52 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3dlx n ILE 53 N 0.52 0.65 -2.41 2.12 5.41 -1.01 -4.96 119.36 119.67 3dlx n ILE 53 Ca 0.10 -0.23 -0.32 0.00 1.00 0.00 0.00 62.75 63.29 3dlx n ILE 53 Cb 0.38 -2.38 -0.03 0.00 -0.71 0.00 0.00 39.64 36.90 3dlx n ILE 53 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3dlx s PRO 54 N 5.00 3.89 0.36 0.38 0.04 -1.26 -4.93 135.00 138.48 3dlx s PRO 54 Ca 0.93 1.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 3dlx s PRO 54 Cb -0.41 -2.12 -0.12 0.00 0.04 0.00 0.00 34.50 31.88 3dlx s PRO 54 CO 0.40 -0.32 0.95 -0.25 0.04 0.00 0.00 177.00 177.82 3dlx n ASP 55 N -1.49 1.01 0.00 6.66 9.92 -1.26 -1.76 116.55 129.62 3dlx n ASP 55 Ca 0.07 1.08 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 3dlx n ASP 55 Cb 0.54 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 3dlx n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dlx n GLY 56 N 1.27 1.85 3.72 0.44 0.00 -0.40 -4.98 105.19 107.09 3dlx n GLY 56 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3dlx n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlx n ALA 57 N -0.23 0.95 -2.62 4.61 0.00 -0.72 -4.41 120.51 118.09 3dlx n ALA 57 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 3dlx n ALA 57 Cb 0.00 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.08 3dlx n ALA 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dlx s THR 58 N -1.49 4.98 -0.14 0.00 2.01 -1.26 -1.58 115.64 118.18 3dlx s THR 58 Ca 0.81 1.04 0.02 0.00 0.31 0.00 0.00 61.69 63.87 3dlx s THR 58 Cb -0.37 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.21 3dlx s THR 58 CO 0.42 -0.01 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.45 3dlx s VAL 59 N 2.51 2.24 -0.20 3.82 1.01 0.10 -0.52 120.40 129.35 3dlx s VAL 59 Ca 0.25 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 3dlx s VAL 59 Cb -0.15 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3dlx s VAL 59 CO 0.09 0.54 0.57 -0.76 0.00 0.00 0.00 175.10 175.54 3dlx s LEU 60 N 0.71 4.14 -0.19 3.92 1.43 -0.04 -0.68 118.68 127.97 3dlx s LEU 60 Ca -0.09 0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 3dlx s LEU 60 Cb -0.16 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.31 3dlx s LEU 60 CO 0.01 -0.22 -0.14 -0.69 0.23 0.00 0.00 176.35 175.54 3dlx s VAL 61 N 1.76 1.82 0.95 -1.59 1.01 0.92 0.62 120.40 125.88 3dlx s VAL 61 Ca 0.26 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 3dlx s VAL 61 Cb -0.16 -1.79 0.16 0.00 0.00 0.00 0.00 36.38 34.60 3dlx s VAL 61 CO 0.10 0.30 1.09 -0.83 0.00 0.00 0.00 175.10 175.76 3dlx s GLY 62 N 1.34 1.60 0.00 4.51 0.00 -0.68 -4.38 107.32 109.71 3dlx s GLY 62 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3dlx s GLY 62 CO -0.10 0.41 0.00 0.61 0.00 0.00 0.00 173.10 174.03 3dlx n GLY 63 N -0.91 3.22 2.88 0.20 0.00 -1.12 -4.38 105.19 105.07 3dlx n GLY 63 Ca 0.06 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.31 1.51 0.00 1.61 5.36 -0.53 -4.38 117.98 119.24 3dlx s PHE 64 Ca 0.00 -0.89 0.00 0.00 -0.96 0.00 0.00 56.93 55.08 3dlx s PHE 64 Cb 0.00 -1.23 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 3dlx s PHE 64 CO 0.00 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 173.61 3dlx n GLY 65 N 4.93 3.06 1.27 13.12 0.00 -1.26 -1.16 105.19 125.16 3dlx n GLY 65 Ca -0.11 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 3.72 -4.63 0.99 4.77 -1.26 -4.66 117.00 115.93 3dlx n LEU 66 Ca 0.00 -1.87 -0.39 0.00 -0.03 0.00 0.00 56.01 53.72 3dlx n LEU 66 Cb 0.00 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 3dlx n LEU 66 CO 0.00 0.80 0.15 0.00 -1.33 0.00 0.00 177.39 177.01 3dlx n GLY 68 N 4.36 -0.13 3.73 0.00 0.00 -1.26 -1.45 105.19 110.44 3dlx n GLY 68 Ca -0.07 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.24 5.07 -1.30 -0.61 -1.09 -1.26 -2.80 121.20 115.96 3dlx s ILE 69 Ca 0.23 1.24 -0.18 0.00 -2.23 0.00 0.00 60.65 59.71 3dlx s ILE 69 Cb -0.10 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.88 3dlx s ILE 69 CO 0.52 0.31 1.84 -0.81 -1.23 0.00 0.00 174.94 175.57 3dlx n PRO 70 N 3.52 2.97 0.20 2.79 -0.04 -1.26 -4.79 135.00 138.39 3dlx n PRO 70 Ca -0.04 -3.08 0.03 0.00 -0.04 0.00 0.00 63.50 60.38 3dlx n PRO 70 Cb 0.51 -3.48 0.40 0.00 -0.04 0.00 0.00 33.50 30.90 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 7.52 0.00 0.00 0.54 4.11 -1.94 -1.97 114.58 122.84 3dlx h GLU 71 Ca 0.45 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.68 3dlx h GLU 71 Cb 0.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3dlx h GLU 71 CO 1.52 0.32 -0.96 -0.91 0.07 0.00 0.00 179.01 179.04 3dlx h ASN 72 N 0.00 0.00 0.39 3.06 2.35 -1.87 -2.62 115.58 116.89 3dlx h ASN 72 Ca -0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.50 3dlx h ASN 72 Cb 0.57 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.95 3dlx h ASN 72 CO 0.04 0.96 -1.04 -0.07 -1.65 0.00 0.00 177.43 175.67 3dlx h LEU 73 N 0.00 0.53 -0.66 1.61 3.38 -1.88 -2.23 115.31 116.06 3dlx h LEU 73 Ca -0.01 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 3dlx h LEU 73 Cb 1.71 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 3dlx h LEU 73 CO 0.12 1.29 0.25 0.40 0.09 0.00 0.00 178.44 180.59 3dlx h ILE 74 N 0.20 1.24 -0.70 1.22 2.04 -1.40 -2.30 117.51 117.81 3dlx h ILE 74 Ca -0.10 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 3dlx h ILE 74 Cb 1.70 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3dlx h ILE 74 CO 0.18 0.31 0.35 -0.78 0.00 0.00 0.00 178.15 178.20 3dlx h ASP 75 N 0.94 0.89 -0.38 1.72 3.58 -1.45 -2.03 116.42 119.69 3dlx h ASP 75 Ca 0.22 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 3dlx h ASP 75 Cb 0.23 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3dlx h ASP 75 CO -0.02 0.75 0.03 0.00 -2.88 0.00 0.00 179.24 177.12 3dlx h ALA 76 N 1.39 1.19 -0.03 -0.78 0.00 -1.11 -2.24 119.26 117.69 3dlx h ALA 76 Ca 0.24 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3dlx h ALA 76 Cb 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dlx h ALA 76 CO -0.03 0.53 -0.50 -0.07 0.00 0.00 0.00 179.25 179.18 3dlx h LEU 77 N 0.70 0.09 -0.94 0.00 4.07 -0.97 -1.83 115.31 116.43 3dlx h LEU 77 Ca 0.14 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 3dlx h LEU 77 Cb 0.38 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 3dlx h LEU 77 CO 0.01 0.58 0.12 -0.07 -1.08 0.00 0.00 178.44 178.00 3dlx h LEU 78 N 0.07 0.85 -0.59 1.67 3.38 -1.09 0.33 115.31 119.92 3dlx h LEU 78 Ca -0.00 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3dlx h LEU 78 Cb 0.91 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3dlx h LEU 78 CO 0.07 0.84 -0.24 0.11 0.09 0.00 0.00 178.44 179.31 3dlx h LYS 79 N 0.86 0.87 0.00 1.13 1.57 -1.07 -3.20 116.57 116.74 3dlx h LYS 79 Ca 0.18 -0.37 -0.18 0.00 -1.87 0.00 0.00 60.65 58.41 3dlx h LYS 79 Cb 0.34 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 3dlx h LYS 79 CO 0.00 1.01 -0.88 1.79 -0.57 0.00 0.00 179.45 180.81 3dlx h THR 80 N 0.75 1.47 -0.24 -0.16 1.35 -1.23 -3.48 112.91 111.38 3dlx h THR 80 Ca 0.10 -3.08 -0.10 0.00 -0.55 0.00 0.00 66.41 62.77 3dlx h THR 80 Cb 0.78 2.72 -0.04 0.00 -1.73 0.00 0.00 68.15 69.89 3dlx h THR 80 CO 0.06 0.84 -0.09 0.61 -0.25 0.00 0.00 175.52 176.69 3dlx n GLY 81 N 1.32 0.74 3.64 5.82 0.00 0.09 -4.97 105.19 111.83 3dlx n GLY 81 Ca 0.00 -0.42 -0.48 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.71 0.18 -4.35 1.61 3.14 -1.25 -4.99 118.33 109.97 3dlx n VAL 82 Ca -0.05 -0.05 -0.16 0.00 -2.96 0.00 0.00 64.34 61.12 3dlx n VAL 82 Cb 0.24 -1.24 -0.04 0.00 -1.06 0.00 0.00 33.84 31.74 3dlx n VAL 82 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 3dlx n LYS 83 N 2.82 0.95 -0.96 1.45 2.85 -1.26 -4.73 118.16 119.27 3dlx n LYS 83 Ca 0.17 -2.07 0.00 0.00 -1.05 0.00 0.00 58.31 55.35 3dlx n LYS 83 Cb 0.26 0.90 0.00 0.00 -0.65 0.00 0.00 35.03 35.53 3dlx n LYS 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3dlx n GLY 84 N 0.88 0.28 3.76 2.58 0.00 -1.14 -1.28 105.19 110.28 3dlx n GLY 84 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.03 -0.38 0.99 1.43 -0.84 -3.88 118.68 120.02 3dlx s LEU 85 Ca 0.00 2.62 -0.17 0.00 -1.03 0.00 0.00 54.13 55.55 3dlx s LEU 85 Cb 0.00 -4.12 0.01 0.00 0.03 0.00 0.00 46.19 42.11 3dlx s LEU 85 CO 0.00 -1.14 0.44 -0.89 0.23 0.00 0.00 176.35 174.99 3dlx s THR 86 N -1.35 5.08 -0.31 5.49 2.01 -0.61 -0.48 115.64 125.48 3dlx s THR 86 Ca 0.64 -0.06 -0.12 0.00 0.31 0.00 0.00 61.69 62.46 3dlx s THR 86 Cb -0.37 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 3dlx s THR 86 CO 0.45 -0.29 0.22 0.00 -0.69 0.00 0.00 174.62 174.31 3dlx s ALA 87 N 2.20 3.52 -0.44 7.40 0.00 -0.20 0.01 121.76 134.25 3dlx s ALA 87 Ca 0.14 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 50.73 3dlx s ALA 87 Cb -0.16 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.42 3dlx s ALA 87 CO 0.13 -0.74 0.42 0.08 0.00 0.00 0.00 175.76 175.66 3dlx s VAL 88 N 1.76 5.13 -0.20 0.00 1.01 0.14 -1.40 120.40 126.84 3dlx s VAL 88 Ca 0.07 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 3dlx s VAL 88 Cb -0.17 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.22 3dlx s VAL 88 CO 0.11 -0.47 0.49 -0.55 0.00 0.00 0.00 175.10 174.68 3dlx s SER 89 N 2.05 -0.63 0.21 3.32 0.15 -0.78 -0.06 113.70 117.95 3dlx s SER 89 Ca 0.09 1.07 -0.09 0.00 0.70 0.00 0.00 55.95 57.72 3dlx s SER 89 Cb -0.19 0.95 0.27 0.00 -1.71 0.00 0.00 66.02 65.34 3dlx s SER 89 CO 0.11 -0.20 1.77 -1.13 1.20 0.00 0.00 173.24 174.99 3dlx h ASN 90 N 6.95 0.39 -4.64 5.45 -1.24 -1.76 -3.33 115.58 117.40 3dlx h ASN 90 Ca -0.34 0.05 -0.51 0.00 0.71 0.00 0.00 56.30 56.21 3dlx h ASN 90 Cb 1.20 -0.01 -0.11 0.00 0.73 0.00 0.00 38.32 40.13 3dlx h ASN 90 CO 0.25 0.24 -0.41 0.59 -1.29 0.00 0.00 177.43 176.81 3dlx n ASN 91 N -4.89 1.82 -1.61 1.15 4.13 -1.26 -1.11 115.26 113.49 3dlx n ASN 91 Ca 0.09 -2.91 -0.13 0.00 1.68 0.00 0.00 54.58 53.31 3dlx n ASN 91 Cb 0.23 0.72 0.19 0.00 -1.54 0.00 0.00 39.78 39.38 3dlx n ASN 91 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dlx n ALA 92 N -1.39 4.88 -0.76 5.41 0.00 -1.25 -4.89 120.51 122.50 3dlx n ALA 92 Ca -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.22 3dlx n ALA 92 Cb 0.54 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.13 1.67 3.72 0.00 0.00 -1.26 -2.55 105.19 105.63 3dlx n GLY 93 Ca 0.44 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3dlx n GLY 93 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dlx n VAL 94 N 0.00 0.00 -0.36 1.61 0.24 -1.01 -4.62 118.33 114.19 3dlx n VAL 94 Ca 0.00 -2.49 0.07 0.00 -2.04 0.00 0.00 64.34 59.88 3dlx n VAL 94 Cb 0.00 0.57 0.24 0.00 -1.47 0.00 0.00 33.84 33.18 3dlx n VAL 94 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3dlx h ASP 95 N 1.35 0.93 -0.36 -1.34 3.32 -1.87 -2.98 116.42 115.46 3dlx h ASP 95 Ca -0.42 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.54 3dlx h ASP 95 Cb 1.31 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.64 3dlx h ASP 95 CO 0.69 0.49 0.00 -0.46 -1.72 0.00 0.00 179.24 178.24 3dlx n ASN 96 N -4.62 3.09 -3.56 6.45 6.94 -1.26 -4.26 115.26 118.05 3dlx n ASN 96 Ca 0.19 -3.48 -0.13 0.00 -0.02 0.00 0.00 54.58 51.14 3dlx n ASN 96 Cb 0.36 -0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 37.10 3dlx n ASN 96 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 3dlx s PHE 97 N -3.10 -0.49 0.00 -2.53 5.36 -1.13 -4.88 117.98 111.22 3dlx s PHE 97 Ca 0.45 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 3dlx s PHE 97 Cb 0.39 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.49 3dlx s PHE 97 CO 0.04 -0.43 0.00 0.41 -1.46 0.00 0.00 175.22 173.78 3dlx n GLY 98 N 0.93 1.65 0.25 13.12 0.00 -1.26 -2.41 105.19 117.47 3dlx n GLY 98 Ca -0.13 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.90 0.99 5.85 -1.88 -1.99 115.31 116.38 3dlx h LEU 99 Ca 0.00 0.00 0.32 0.00 0.84 0.00 0.00 57.88 59.04 3dlx h LEU 99 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3dlx h LEU 99 CO 0.00 0.15 0.78 1.23 -0.34 0.00 0.00 178.44 180.26 3dlx h GLY 100 N 0.80 0.18 1.55 3.75 0.00 -1.29 -0.96 103.07 107.09 3dlx h GLY 100 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3dlx h GLY 100 CO 0.02 -0.02 -0.35 1.41 0.00 0.00 0.00 176.54 177.60 3dlx h LEU 101 N 0.06 0.53 0.00 3.11 3.38 -1.52 -1.75 115.31 119.12 3dlx h LEU 101 Ca 0.54 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 3dlx h LEU 101 Cb 2.04 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 3dlx h LEU 101 CO -0.05 0.84 -0.14 -0.07 0.09 0.00 0.00 178.44 179.11 3dlx h LEU 102 N 0.43 0.00 -0.12 1.67 3.38 -1.37 -2.41 115.31 116.88 3dlx h LEU 102 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3dlx h LEU 102 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3dlx h LEU 102 CO 0.07 0.00 -0.17 -0.07 0.09 0.00 0.00 178.44 178.36 3dlx h LEU 103 N 0.00 0.36 -1.00 1.67 3.38 -1.39 -0.31 115.31 118.02 3dlx h LEU 103 Ca -0.00 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.50 3dlx h LEU 103 Cb 1.00 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3dlx h LEU 103 CO 0.00 0.81 0.65 0.03 0.09 0.00 0.00 178.44 180.02 3dlx h ARG 104 N -0.07 1.20 -0.12 1.13 3.08 -1.17 -1.68 114.38 116.75 3dlx h ARG 104 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3dlx h ARG 104 Cb 0.72 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3dlx h ARG 104 CO 0.04 0.80 0.00 -1.13 -1.07 0.00 0.00 179.97 178.60 3dlx n SER 105 N -4.46 1.14 -2.84 7.04 3.41 -0.92 -4.94 113.62 112.05 3dlx n SER 105 Ca 0.14 -1.64 -0.21 0.00 -0.26 0.00 0.00 58.87 56.90 3dlx n SER 105 Cb 0.12 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.02 -4.45 0.00 4.33 4.76 -0.63 -4.90 118.16 117.24 3dlx n LYS 106 Ca 0.15 0.89 0.12 0.00 -2.87 0.00 0.00 58.31 56.60 3dlx n LYS 106 Cb 0.24 -5.66 0.25 0.00 -1.84 0.00 0.00 35.03 28.02 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 -3.82 0.15 -4.16 1.97 6.02 -0.15 -4.69 117.38 112.71 3dlx n GLN 107 Ca -0.12 -0.09 -0.34 0.00 -0.01 0.00 0.00 57.00 56.44 3dlx n GLN 107 Cb 0.62 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.91 4.28 -0.19 5.09 1.01 -1.22 -1.99 121.20 125.26 3dlx s ILE 108 Ca 0.13 -0.21 0.11 0.00 0.00 0.00 0.00 60.65 60.68 3dlx s ILE 108 Cb 0.18 -2.91 -0.22 0.00 0.01 0.00 0.00 42.46 39.51 3dlx s ILE 108 CO 0.68 0.46 0.07 1.17 0.00 0.00 0.00 174.94 177.32 3dlx n LYS 109 N 3.73 0.68 -3.92 2.79 4.81 0.37 -4.85 118.16 121.77 3dlx n LYS 109 Ca -0.17 0.09 -0.11 0.00 -0.87 0.00 0.00 58.31 57.26 3dlx n LYS 109 Cb 0.52 -1.57 -0.13 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.52 0.14 0.00 1.64 3.52 -0.94 -1.85 118.95 118.95 3dlx s ARG 110 Ca -0.18 -0.28 0.07 0.00 -0.13 0.00 0.00 55.73 55.21 3dlx s ARG 110 Cb 0.07 0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.49 3dlx s ARG 110 CO 0.76 -0.02 -0.22 -1.64 -0.81 0.00 0.00 175.30 173.36 3dlx s MET 111 N -0.68 1.72 -0.33 5.12 -1.94 0.28 -1.04 119.30 122.44 3dlx s MET 111 Ca -0.07 -0.87 0.03 0.00 -1.71 0.00 0.00 55.69 53.07 3dlx s MET 111 Cb -0.05 -1.73 0.10 0.00 2.01 0.00 0.00 34.83 35.16 3dlx s MET 111 CO -0.00 0.46 0.04 0.08 -0.01 0.00 0.00 175.02 175.59 3dlx s VAL 112 N -0.61 2.09 0.15 -6.03 1.01 -0.50 0.19 120.40 116.70 3dlx s VAL 112 Ca 0.09 -2.16 -0.06 0.00 0.00 0.00 0.00 61.98 59.84 3dlx s VAL 112 Cb -0.09 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3dlx s VAL 112 CO 0.00 -0.55 0.20 -0.44 0.00 0.00 0.00 175.10 174.31 3dlx s SER 113 N 1.01 0.14 -0.06 3.32 0.01 -0.90 -1.87 113.70 115.34 3dlx s SER 113 Ca 0.09 -0.97 0.21 0.00 1.31 0.00 0.00 55.95 56.58 3dlx s SER 113 Cb -0.19 0.38 -0.30 0.00 0.21 0.00 0.00 66.02 66.13 3dlx s SER 113 CO -0.10 -0.83 0.40 -1.54 0.41 0.00 0.00 173.24 171.58 3dlx n SER 114 N -0.17 0.05 -3.63 2.44 3.41 -0.26 -0.55 113.62 114.91 3dlx n SER 114 Ca -0.07 0.02 -0.02 0.00 -0.26 0.00 0.00 58.87 58.55 3dlx n SER 114 Cb 0.63 1.64 -0.04 0.00 -0.26 0.00 0.00 64.21 66.17 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 -3.23 -1.25 -0.11 7.33 5.04 -1.10 -0.89 117.35 123.14 3dlx s TYR 115 Ca -0.08 2.21 0.14 0.00 -2.44 0.00 0.00 57.07 56.90 3dlx s TYR 115 Cb 0.12 0.75 0.26 0.00 0.35 0.00 0.00 41.96 43.44 3dlx s TYR 115 CO 0.88 -0.62 1.13 1.33 -1.34 0.00 0.00 175.55 176.94 3dlx n VAL 116 N 5.25 1.48 -1.89 3.14 0.24 0.14 -3.91 118.33 122.78 3dlx n VAL 116 Ca -0.13 -1.93 -0.30 0.00 -2.04 0.00 0.00 64.34 59.95 3dlx n VAL 116 Cb 0.51 -0.03 0.16 0.00 -1.47 0.00 0.00 33.84 33.00 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 -2.53 1.71 -1.40 7.63 0.00 -1.26 -4.37 107.32 107.11 3dlx s GLY 117 Ca 0.27 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 43.98 3dlx s GLY 117 CO -0.00 -0.33 0.03 1.18 0.00 0.00 0.00 173.10 173.98 3dlx n GLU 118 N -3.66 -1.50 -3.38 2.90 4.71 -1.26 -4.80 120.64 113.66 3dlx n GLU 118 Ca 0.13 0.80 -0.16 0.00 -0.01 0.00 0.00 57.16 57.92 3dlx n GLU 118 Cb 0.60 -5.22 -0.09 0.00 -1.01 0.00 0.00 31.44 25.73 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 -2.29 1.36 0.48 1.62 3.84 -1.26 -4.09 114.94 114.60 3dlx s ASN 119 Ca 0.02 -0.87 0.26 0.00 0.21 0.00 0.00 52.86 52.48 3dlx s ASN 119 Cb -0.01 0.62 1.20 0.00 -0.55 0.00 0.00 41.25 42.51 3dlx s ASN 119 CO 0.02 -0.36 1.95 0.00 -2.79 0.00 0.00 177.10 175.93 3dlx h ALA 120 N 7.99 1.13 0.16 1.71 0.00 -1.93 -2.67 119.26 125.65 3dlx h ALA 120 Ca -0.09 -0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.36 3dlx h ALA 120 Cb 1.08 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.87 3dlx h ALA 120 CO 0.30 0.21 -1.31 1.49 0.00 0.00 0.00 179.25 179.94 3dlx h GLU 121 N 0.00 0.58 -0.44 0.00 4.57 -1.95 -1.91 114.58 115.43 3dlx h GLU 121 Ca -0.00 -0.83 0.09 0.00 -1.18 0.00 0.00 59.36 57.43 3dlx h GLU 121 Cb 0.54 0.29 -0.08 0.00 -0.16 0.00 0.00 28.75 29.34 3dlx h GLU 121 CO 0.02 1.38 -0.05 0.35 -1.18 0.00 0.00 179.01 179.54 3dlx h PHE 122 N 0.23 -0.11 -0.38 0.92 3.04 -1.91 -0.44 116.94 118.28 3dlx h PHE 122 Ca -0.20 0.04 -0.14 0.00 3.98 0.00 0.00 57.97 61.65 3dlx h PHE 122 Cb 1.98 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 40.60 3dlx h PHE 122 CO 0.11 -0.13 -0.31 1.49 -2.02 0.00 0.00 178.31 177.45 3dlx h GLU 123 N 0.06 0.84 -0.42 1.11 4.81 -1.43 0.10 114.58 119.64 3dlx h GLU 123 Ca 0.22 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3dlx h GLU 123 Cb 0.32 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3dlx h GLU 123 CO -0.40 1.03 0.24 -0.09 -0.73 0.00 0.00 179.01 179.06 3dlx h ARG 124 N 0.71 0.59 -0.41 1.92 2.43 -1.23 -1.53 114.38 116.86 3dlx h ARG 124 Ca 0.08 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3dlx h ARG 124 Cb 0.86 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3dlx h ARG 124 CO 0.08 0.45 -0.10 1.96 -1.51 0.00 0.00 179.97 180.86 3dlx h GLN 125 N 0.56 0.78 0.14 0.20 4.20 -0.67 -2.41 115.11 117.91 3dlx h GLN 125 Ca 0.15 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 3dlx h GLN 125 Cb 0.03 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3dlx h GLN 125 CO -0.03 0.91 -0.07 -0.92 -0.67 0.00 0.00 178.83 178.06 3dlx h TYR 126 N 0.60 -0.17 0.00 2.96 3.20 -1.00 0.33 116.97 122.89 3dlx h TYR 126 Ca 0.10 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 3dlx h TYR 126 Cb 0.62 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3dlx h TYR 126 CO 0.05 0.05 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.21 3dlx h LEU 127 N -0.37 0.00 0.00 2.82 3.38 -1.35 -3.01 115.31 116.79 3dlx h LEU 127 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dlx h LEU 127 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dlx h LEU 127 CO 0.03 0.35 -0.27 -1.54 0.09 0.00 0.00 178.44 177.10 3dlx n SER 128 N -3.51 0.59 0.00 -0.43 3.41 -0.91 -4.66 113.62 108.11 3dlx n SER 128 Ca -0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3dlx n SER 128 Cb 0.49 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 1.38 0.83 0.10 5.00 0.00 -1.10 -4.02 105.19 107.38 3dlx n GLY 129 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 1.19 0.00 -6.11 1.61 5.08 -0.59 -3.45 114.58 112.31 3dlx h GLU 130 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 3dlx h GLU 130 Cb 0.00 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 28.94 3dlx h GLU 130 CO 0.00 0.35 -0.88 -1.17 -1.00 0.00 0.00 179.01 176.30 3dlx s LEU 131 N -5.95 2.06 -0.06 1.33 2.96 -0.84 -4.93 118.68 113.25 3dlx s LEU 131 Ca -0.01 -0.50 -0.16 0.00 -0.22 0.00 0.00 54.13 53.24 3dlx s LEU 131 Cb 0.08 -1.35 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 3dlx s LEU 131 CO 0.80 0.26 0.43 -1.61 -1.32 0.00 0.00 176.35 174.90 3dlx s GLU 132 N -0.25 4.13 -0.14 1.98 2.02 -0.77 -4.53 118.70 121.14 3dlx s GLU 132 Ca -0.01 0.40 -0.02 0.00 0.02 0.00 0.00 54.97 55.37 3dlx s GLU 132 Cb -0.13 -3.33 0.04 0.00 0.10 0.00 0.00 34.13 30.81 3dlx s GLU 132 CO 0.03 0.43 -0.01 0.08 0.02 0.00 0.00 175.26 175.81 3dlx s VAL 133 N -0.24 0.66 -0.61 2.63 1.01 0.35 -0.56 120.40 123.64 3dlx s VAL 133 Ca 0.24 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 3dlx s VAL 133 Cb -0.16 -0.94 0.09 0.00 0.00 0.00 0.00 36.38 35.37 3dlx s VAL 133 CO 0.11 0.07 0.80 -1.61 0.00 0.00 0.00 175.10 174.47 3dlx s GLU 134 N 1.83 3.07 -0.24 2.72 2.02 0.13 -4.06 118.70 124.16 3dlx s GLU 134 Ca 0.02 -1.13 -0.29 0.00 0.02 0.00 0.00 54.97 53.58 3dlx s GLU 134 Cb -0.15 -4.25 0.00 0.00 0.10 0.00 0.00 34.13 29.84 3dlx s GLU 134 CO -0.07 -1.64 1.16 -0.51 0.02 0.00 0.00 175.26 174.22 3dlx s LEU 135 N 3.19 4.05 -0.08 1.80 1.43 -1.26 -2.12 118.68 125.68 3dlx s LEU 135 Ca 0.15 1.37 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 3dlx s LEU 135 Cb -0.21 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.48 3dlx s LEU 135 CO 0.08 -0.82 -0.14 -0.89 0.23 0.00 0.00 176.35 174.81 3dlx s THR 136 N 3.60 1.34 0.30 5.49 2.01 0.29 -4.97 115.64 123.70 3dlx s THR 136 Ca 0.50 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.62 3dlx s THR 136 Cb -0.17 -1.21 -0.13 0.00 0.01 0.00 0.00 72.50 71.01 3dlx s THR 136 CO 0.14 0.40 1.30 -2.65 -0.69 0.00 0.00 174.62 173.12 3dlx n PRO 137 N 3.87 2.01 -0.22 4.92 -0.02 -1.26 -3.71 135.00 140.59 3dlx n PRO 137 Ca -0.21 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 3dlx n PRO 137 Cb 0.52 -2.29 0.11 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.08 0.55 0.00 -0.52 4.15 -1.56 0.19 115.11 121.00 3dlx h GLN 138 Ca -0.45 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 58.85 3dlx h GLN 138 Cb 1.29 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 3dlx h GLN 138 CO 0.67 0.36 -0.42 0.78 -1.93 0.00 0.00 178.83 178.29 3dlx h GLY 139 N 0.56 0.00 0.60 2.39 0.00 -1.88 0.15 103.07 104.88 3dlx h GLY 139 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 3dlx h GLY 139 CO -0.24 0.00 -0.31 -0.84 0.00 0.00 0.00 176.54 175.15 3dlx h THR 140 N 0.00 1.47 -0.33 4.70 2.02 -1.56 -2.07 112.91 117.14 3dlx h THR 140 Ca -0.00 -1.84 0.07 0.00 0.77 0.00 0.00 66.41 65.41 3dlx h THR 140 Cb 0.91 2.53 -0.07 0.00 -1.74 0.00 0.00 68.15 69.78 3dlx h THR 140 CO 0.06 0.52 -0.16 0.25 0.37 0.00 0.00 175.52 176.56 3dlx h LEU 141 N -0.30 -0.53 -0.35 2.58 5.85 -0.45 -0.56 115.31 121.55 3dlx h LEU 141 Ca -0.03 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3dlx h LEU 141 Cb 1.01 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.26 3dlx h LEU 141 CO 0.06 -0.19 -0.15 0.00 -0.34 0.00 0.00 178.44 177.82 3dlx h ALA 142 N 1.15 0.14 -0.07 1.25 0.00 -1.00 -2.19 119.26 118.52 3dlx h ALA 142 Ca 0.17 0.13 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 3dlx h ALA 142 Cb 0.36 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3dlx h ALA 142 CO -0.40 -0.52 -0.75 1.49 0.00 0.00 0.00 179.25 179.07 3dlx h GLU 143 N -0.08 0.42 -0.87 0.00 4.57 -1.14 -1.81 114.58 115.67 3dlx h GLU 143 Ca 0.18 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 3dlx h GLU 143 Cb 0.35 0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.98 3dlx h GLU 143 CO -0.41 0.99 0.44 0.00 -1.18 0.00 0.00 179.01 178.85 3dlx h ARG 144 N 0.28 1.24 -0.00 1.92 3.08 -1.03 0.18 114.38 120.05 3dlx h ARG 144 Ca -0.04 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3dlx h ARG 144 Cb 1.33 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3dlx h ARG 144 CO 0.13 0.93 -0.00 0.82 -1.07 0.00 0.00 179.97 180.78 3dlx h ILE 145 N 1.23 1.25 -0.43 2.04 2.04 -1.30 0.16 117.51 122.51 3dlx h ILE 145 Ca 0.30 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.45 3dlx h ILE 145 Cb 0.08 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3dlx h ILE 145 CO -0.04 0.20 0.20 -0.09 0.00 0.00 0.00 178.15 178.41 3dlx h ARG 146 N -0.31 0.39 -0.57 2.37 2.43 -1.23 -1.21 114.38 116.25 3dlx h ARG 146 Ca 0.00 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.26 3dlx h ARG 146 Cb 0.32 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.68 3dlx h ARG 146 CO 0.00 0.26 -0.05 0.00 -1.51 0.00 0.00 179.97 178.66 3dlx h ALA 147 N 1.25 0.48 -0.53 2.80 0.00 -0.59 0.21 119.26 122.88 3dlx h ALA 147 Ca 0.19 0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.38 3dlx h ALA 147 Cb 0.13 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3dlx h ALA 147 CO -0.15 -0.41 0.15 0.78 0.00 0.00 0.00 179.25 179.62 3dlx h GLY 148 N 0.07 0.69 2.00 0.00 0.00 0.11 0.13 103.07 106.07 3dlx h GLY 148 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3dlx h GLY 148 CO -0.52 -0.04 -0.09 -1.33 0.00 0.00 0.00 176.54 174.56 3dlx h GLY 149 N 0.31 0.00 -2.01 4.60 0.00 -0.17 -3.30 103.07 102.49 3dlx h GLY 149 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3dlx h GLY 149 CO -0.31 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.23 3dlx n ALA 150 N -2.15 2.45 -1.12 3.60 0.00 0.65 -4.86 120.51 119.08 3dlx n ALA 150 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 3dlx n ALA 150 Cb 0.34 -0.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 1.40 0.70 3.45 0.00 0.00 -0.80 -5.02 105.19 104.92 3dlx n GLY 151 Ca 0.16 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.12 5.00 -0.13 1.61 1.01 -0.92 -5.00 120.40 119.84 3dlx s VAL 152 Ca 0.00 -0.57 0.22 0.00 0.00 0.00 0.00 61.98 61.63 3dlx s VAL 152 Cb 0.00 -3.70 0.24 0.00 0.00 0.00 0.00 36.38 32.91 3dlx s VAL 152 CO 0.00 -0.17 1.67 1.55 0.00 0.00 0.00 175.10 178.15 3dlx h PRO 153 N 8.51 0.00 -1.87 2.72 0.13 -1.96 -3.36 132.00 136.17 3dlx h PRO 153 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3dlx h PRO 153 Cb 1.13 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.06 3dlx h PRO 153 CO 0.68 0.21 0.34 0.00 -0.23 0.00 0.00 178.00 178.99 3dlx s ALA 154 N -3.31 -1.83 0.12 -0.56 0.00 -1.26 -1.15 121.76 113.77 3dlx s ALA 154 Ca 0.04 1.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3dlx s ALA 154 Cb 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3dlx s ALA 154 CO 0.67 -0.37 0.28 -0.59 0.00 0.00 0.00 175.76 175.74 3dlx s PHE 155 N -1.29 0.15 -0.10 0.00 -0.12 -0.40 -4.97 117.98 111.25 3dlx s PHE 155 Ca -0.07 -0.54 -0.08 0.00 -0.05 0.00 0.00 56.93 56.19 3dlx s PHE 155 Cb -0.00 0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 3dlx s PHE 155 CO 0.05 -0.65 0.18 0.71 -0.05 0.00 0.00 175.22 175.47 3dlx s TYR 156 N -3.89 3.62 0.04 3.49 2.02 -1.26 -0.99 117.35 120.37 3dlx s TYR 156 Ca 0.09 0.60 0.02 0.00 -0.37 0.00 0.00 57.07 57.41 3dlx s TYR 156 Cb 0.04 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3dlx s TYR 156 CO -0.07 0.71 -0.08 -0.08 -1.57 0.00 0.00 175.55 174.46 3dlx s THR 157 N -1.00 0.58 -0.69 -0.71 -1.32 -0.03 -4.92 115.64 107.55 3dlx s THR 157 Ca 0.16 -0.94 0.26 0.00 -1.21 0.00 0.00 61.69 59.96 3dlx s THR 157 Cb -0.13 -0.61 0.30 0.00 -1.51 0.00 0.00 72.50 70.55 3dlx s THR 157 CO 0.05 -0.27 1.75 1.55 -2.21 0.00 0.00 174.62 175.50 3dlx h PRO 158 N 4.77 0.00 -6.38 7.08 0.13 -1.86 0.19 132.00 135.92 3dlx h PRO 158 Ca -0.35 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.24 3dlx h PRO 158 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dlx h PRO 158 CO 0.42 0.00 0.85 0.99 -0.23 0.00 0.00 178.00 180.03 3dlx s THR 159 N -3.12 3.64 0.00 1.56 2.01 -1.26 -2.66 115.64 115.82 3dlx s THR 159 Ca 0.10 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.14 3dlx s THR 159 Cb 0.11 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.96 3dlx s THR 159 CO 0.61 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 3dlx n GLY 160 N 3.67 2.26 3.72 4.40 0.00 -1.26 -4.83 105.19 113.15 3dlx n GLY 160 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.90 2.63 -0.84 1.61 9.36 -1.09 -2.04 117.16 124.90 3dlx n TYR 161 Ca 0.00 0.28 0.00 0.00 3.32 0.00 0.00 57.90 61.50 3dlx n TYR 161 Cb 0.00 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.14 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 2.44 0.64 3.57 2.98 0.00 -1.26 -4.43 105.19 109.13 3dlx n GLY 162 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.30 0.62 0.55 2.61 -4.23 -0.87 -4.67 115.64 107.35 3dlx s THR 163 Ca 0.00 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 3dlx s THR 163 Cb 0.00 -2.25 0.34 0.00 1.34 0.00 0.00 72.50 71.93 3dlx s THR 163 CO 0.00 0.00 2.22 -0.07 -0.54 0.00 0.00 174.62 176.23 3dlx h LEU 164 N 1.65 0.00 -0.02 4.79 3.38 -1.82 0.49 115.31 123.79 3dlx h LEU 164 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3dlx h LEU 164 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 3dlx h LEU 164 CO 0.58 0.03 0.01 0.58 0.09 0.00 0.00 178.44 179.73 3dlx h VAL 165 N 0.00 1.03 0.01 1.22 2.07 -1.85 0.20 116.25 118.93 3dlx h VAL 165 Ca -0.00 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.23 3dlx h VAL 165 Cb 0.08 1.04 0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3dlx h VAL 165 CO 0.00 0.02 -0.87 -0.61 0.02 0.00 0.00 177.57 176.14 3dlx h GLN 166 N -0.00 0.57 0.00 1.57 -0.00 -1.17 -3.34 115.11 112.74 3dlx h GLN 166 Ca 0.01 -0.62 0.00 0.00 -0.00 0.00 0.00 58.65 58.03 3dlx h GLN 166 Cb 0.02 0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.69 3dlx h GLN 166 CO -0.00 1.24 -0.51 0.39 0.00 0.00 0.00 178.83 179.95 3dlx n GLU 167 N -4.01 0.27 0.00 1.69 1.02 0.11 -0.72 120.64 118.99 3dlx n GLU 167 Ca -0.11 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3dlx n GLU 167 Cb 0.80 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3dlx n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dlx n GLY 168 N 1.34 -0.84 0.00 0.62 0.00 0.70 -3.93 105.19 103.08 3dlx n GLY 168 Ca 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.90 0.51 3.73 -0.02 0.00 0.88 -4.63 105.19 104.77 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 -2.94 7.17 -0.02 1.61 0.15 -1.26 -4.64 113.70 113.78 3dlx s SER 170 Ca 0.00 2.13 -0.30 0.00 0.70 0.00 0.00 55.95 58.48 3dlx s SER 170 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3dlx s SER 170 CO 0.00 -0.31 1.11 -2.16 1.20 0.00 0.00 173.24 173.08 3dlx s PRO 171 N -0.10 4.44 -0.21 5.44 0.04 -1.26 -0.06 135.00 143.29 3dlx s PRO 171 Ca 0.52 1.59 0.04 0.00 0.04 0.00 0.00 61.00 63.18 3dlx s PRO 171 Cb -0.30 -3.47 -0.15 0.00 0.04 0.00 0.00 34.50 30.62 3dlx s PRO 171 CO 0.35 -0.27 -0.15 -0.89 0.04 0.00 0.00 177.00 176.07 3dlx n ILE 172 N 4.22 1.21 -3.76 0.56 5.41 0.16 -4.74 119.36 122.42 3dlx n ILE 172 Ca 0.09 -0.50 -0.13 0.00 1.00 0.00 0.00 62.75 63.21 3dlx n ILE 172 Cb 0.48 -1.16 -0.11 0.00 -0.71 0.00 0.00 39.64 38.14 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 -2.42 0.33 0.20 0.38 2.20 -0.71 -0.49 119.74 119.22 3dlx s LYS 173 Ca -0.26 0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 3dlx s LYS 173 Cb 0.07 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 3dlx s LYS 173 CO 0.52 -0.07 0.33 0.71 -0.36 0.00 0.00 175.35 176.48 3dlx s TYR 174 N 0.45 3.47 0.45 4.03 2.02 -1.26 0.30 117.35 126.81 3dlx s TYR 174 Ca -0.02 0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.68 3dlx s TYR 174 Cb -0.04 -1.64 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 3dlx s TYR 174 CO -0.02 0.46 0.77 -0.80 -1.57 0.00 0.00 175.55 174.39 3dlx s ASN 175 N -3.59 6.36 0.29 2.29 0.01 0.32 -4.09 114.94 116.53 3dlx s ASN 175 Ca 0.35 0.99 -0.01 0.00 -0.71 0.00 0.00 52.86 53.48 3dlx s ASN 175 Cb -0.10 -2.27 0.66 0.00 0.41 0.00 0.00 41.25 39.95 3dlx s ASN 175 CO 0.29 -0.50 1.59 0.07 -1.51 0.00 0.00 177.10 177.04 3dlx h LYS 176 N 0.64 0.04 0.00 -0.60 2.10 -1.87 0.22 116.57 117.11 3dlx h LYS 176 Ca -0.47 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3dlx h LYS 176 Cb 1.20 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3dlx h LYS 176 CO 0.63 0.03 0.00 -0.40 -2.00 0.00 0.00 179.45 177.70 3dlx n ASP 177 N -5.45 0.00 0.00 7.07 3.85 -1.26 -4.89 116.55 115.87 3dlx n ASP 177 Ca 0.21 -1.85 0.00 0.00 -0.71 0.00 0.00 54.79 52.44 3dlx n ASP 177 Cb 0.68 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.45 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 0.47 0.76 3.88 6.12 0.00 0.78 -5.04 105.19 112.16 3dlx n GLY 178 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.52 5.82 -0.06 1.61 1.04 -1.26 -4.79 113.70 113.55 3dlx s SER 179 Ca 0.00 1.18 -0.26 0.00 0.48 0.00 0.00 55.95 57.35 3dlx s SER 179 Cb 0.00 -2.13 -0.03 0.00 0.10 0.00 0.00 66.02 63.95 3dlx s SER 179 CO 0.00 -1.08 0.82 -0.69 0.98 0.00 0.00 173.24 173.27 3dlx s VAL 180 N -3.21 4.96 -0.15 5.02 1.01 -1.26 0.12 120.40 126.89 3dlx s VAL 180 Ca 0.56 1.69 -0.10 0.00 0.00 0.00 0.00 61.98 64.13 3dlx s VAL 180 Cb -0.11 -4.15 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 3dlx s VAL 180 CO 0.51 0.19 0.27 0.00 0.00 0.00 0.00 175.10 176.07 3dlx n ALA 181 N 4.01 0.91 -3.75 5.51 0.00 0.15 -4.75 120.51 122.58 3dlx n ALA 181 Ca 0.02 -0.61 -0.26 0.00 0.00 0.00 0.00 53.44 52.59 3dlx n ALA 181 Cb 0.51 -0.59 -0.17 0.00 0.00 0.00 0.00 19.45 19.20 3dlx n ALA 181 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dlx s ILE 182 N -2.51 1.01 0.18 0.00 1.01 -0.65 -4.96 121.20 115.27 3dlx s ILE 182 Ca -0.25 -0.32 0.09 0.00 0.00 0.00 0.00 60.65 60.16 3dlx s ILE 182 Cb 0.07 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 3dlx s ILE 182 CO 0.71 0.35 -0.09 0.00 0.00 0.00 0.00 174.94 175.91 3dlx s ALA 183 N 1.35 2.95 0.67 9.38 0.00 -1.26 0.35 121.76 135.20 3dlx s ALA 183 Ca -0.02 -1.47 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 3dlx s ALA 183 Cb -0.14 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3dlx s ALA 183 CO -0.04 0.47 1.12 -1.54 0.00 0.00 0.00 175.76 175.77 3dlx s SER 184 N -2.83 4.95 0.28 0.00 1.04 0.91 -4.79 113.70 113.27 3dlx s SER 184 Ca 0.25 2.05 -0.02 0.00 0.48 0.00 0.00 55.95 58.71 3dlx s SER 184 Cb -0.09 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 3dlx s SER 184 CO 0.15 -1.74 0.50 -0.54 0.98 0.00 0.00 173.24 172.59 3dlx s LYS 185 N -4.07 3.55 0.47 4.02 1.02 -1.26 -0.08 119.74 123.38 3dlx s LYS 185 Ca 0.68 -0.22 -0.24 0.00 0.02 0.00 0.00 55.97 56.21 3dlx s LYS 185 Cb -0.22 -2.71 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 3dlx s LYS 185 CO 0.42 0.25 1.40 -2.30 -0.92 0.00 0.00 175.35 174.19 3dlx n PRO 186 N -1.16 2.08 -3.32 -1.68 -0.02 -1.25 -3.96 135.00 125.69 3dlx n PRO 186 Ca -0.04 0.75 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 3dlx n PRO 186 Cb 0.55 -2.59 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 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 -2.53 3.71 0.16 -0.52 1.81 0.10 -4.90 118.95 116.78 3dlx s ARG 187 Ca 0.64 0.15 -0.32 0.00 -1.72 0.00 0.00 55.73 54.48 3dlx s ARG 187 Cb -0.45 -2.62 -0.10 0.00 -0.45 0.00 0.00 34.95 31.33 3dlx s ARG 187 CO 0.55 0.23 1.59 -2.00 -0.68 0.00 0.00 175.30 174.99 3dlx s GLU 188 N -3.30 4.20 -0.07 3.54 2.12 -1.26 -4.90 118.70 119.03 3dlx s GLU 188 Ca 0.46 2.39 0.02 0.00 0.36 0.00 0.00 54.97 58.20 3dlx s GLU 188 Cb -0.11 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 3dlx s GLU 188 CO 0.27 -0.63 -0.13 0.08 -0.54 0.00 0.00 175.26 174.30 3dlx s VAL 189 N 1.24 3.11 -0.10 3.70 1.01 -1.26 -1.31 120.40 126.79 3dlx s VAL 189 Ca 0.71 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 3dlx s VAL 189 Cb -0.44 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 33.72 3dlx s VAL 189 CO 0.31 0.57 0.25 -0.60 0.00 0.00 0.00 175.10 175.63 3dlx s ARG 190 N -0.43 0.27 0.00 2.72 3.52 -0.33 -4.99 118.95 119.72 3dlx s ARG 190 Ca 0.05 0.39 -0.20 0.00 -0.13 0.00 0.00 55.73 55.84 3dlx s ARG 190 Cb -0.12 0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.29 3dlx s ARG 190 CO 0.02 -0.07 0.57 -2.00 -0.81 0.00 0.00 175.30 173.01 3dlx s GLU 191 N 0.41 4.27 -0.05 5.12 2.12 -1.26 -1.22 118.70 128.08 3dlx s GLU 191 Ca -0.02 0.70 0.01 0.00 0.36 0.00 0.00 54.97 56.01 3dlx s GLU 191 Cb -0.04 -3.32 0.02 0.00 0.26 0.00 0.00 34.13 31.06 3dlx s GLU 191 CO -0.02 0.43 -0.03 -0.06 -0.54 0.00 0.00 175.26 175.04 3dlx s PHE 192 N -0.37 0.71 -1.50 5.30 0.08 -0.08 -4.90 117.98 117.21 3dlx s PHE 192 Ca 0.30 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 57.05 3dlx s PHE 192 Cb -0.18 -0.68 0.07 0.00 -0.57 0.00 0.00 43.02 41.66 3dlx s PHE 192 CO 0.17 -0.22 0.84 0.09 -0.10 0.00 0.00 175.22 176.00 3dlx n ASN 193 N 4.28 -3.44 0.00 1.36 5.03 -1.26 -1.21 115.26 120.02 3dlx n ASN 193 Ca -0.21 -0.85 0.00 0.00 0.87 0.00 0.00 54.58 54.39 3dlx n ASN 193 Cb 0.51 -3.66 0.00 0.00 -1.02 0.00 0.00 39.78 35.60 3dlx n ASN 193 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dlx n GLY 194 N -1.66 0.30 3.44 7.41 0.00 -1.26 -5.00 105.19 108.42 3dlx n GLY 194 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.87 1.59 -0.11 1.61 0.74 -0.35 -5.13 119.66 117.14 3dlx s GLN 195 Ca 0.00 -1.27 -0.10 0.00 0.05 0.00 0.00 55.36 54.04 3dlx s GLN 195 Cb 0.00 -2.00 -0.05 0.00 1.10 0.00 0.00 33.01 32.06 3dlx s GLN 195 CO 0.00 0.46 0.22 -1.01 -0.55 0.00 0.00 175.29 174.41 3dlx s HIS 196 N -1.13 3.59 0.14 1.67 3.76 -1.26 -0.90 115.29 121.16 3dlx s HIS 196 Ca 0.16 0.62 0.03 0.00 -0.15 0.00 0.00 55.06 55.73 3dlx s HIS 196 Cb -0.10 -2.09 -0.04 0.00 1.11 0.00 0.00 32.58 31.45 3dlx s HIS 196 CO 0.08 0.61 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.45 3dlx s PHE 197 N -0.71 1.19 0.05 1.40 0.08 -0.36 -4.65 117.98 114.98 3dlx s PHE 197 Ca 0.16 -0.83 0.08 0.00 0.12 0.00 0.00 56.93 56.46 3dlx s PHE 197 Cb -0.13 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 3dlx s PHE 197 CO 0.05 -0.01 -0.22 0.96 -0.10 0.00 0.00 175.22 175.90 3dlx s ILE 198 N -3.44 2.50 -0.09 0.64 -4.36 0.65 -1.18 121.20 115.93 3dlx s ILE 198 Ca 0.17 -1.30 -0.29 0.00 -0.26 0.00 0.00 60.65 58.97 3dlx s ILE 198 Cb 0.04 -2.03 -0.02 0.00 1.25 0.00 0.00 42.46 41.70 3dlx s ILE 198 CO 0.00 0.33 0.99 -0.22 0.24 0.00 0.00 174.94 176.28 3dlx s LEU 199 N -1.39 4.27 0.03 0.37 2.96 -0.43 -0.85 118.68 123.63 3dlx s LEU 199 Ca 0.13 1.53 0.09 0.00 -0.22 0.00 0.00 54.13 55.67 3dlx s LEU 199 Cb -0.10 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3dlx s LEU 199 CO 0.04 -0.40 -0.26 -1.61 -1.32 0.00 0.00 176.35 172.80 3dlx s GLU 200 N 1.78 1.88 0.12 1.98 0.41 -0.16 -4.61 118.70 120.10 3dlx s GLU 200 Ca 0.48 -1.06 -0.01 0.00 -0.41 0.00 0.00 54.97 53.97 3dlx s GLU 200 Cb -0.19 -1.99 -0.04 0.00 -1.78 0.00 0.00 34.13 30.13 3dlx s GLU 200 CO 0.20 0.52 0.29 -1.21 -0.49 0.00 0.00 175.26 174.57 3dlx s GLU 201 N -1.07 3.49 0.69 1.61 2.02 -1.26 -1.27 118.70 122.91 3dlx s GLU 201 Ca 0.11 -0.37 -0.17 0.00 0.02 0.00 0.00 54.97 54.57 3dlx s GLU 201 Cb -0.10 -2.95 -0.00 0.00 0.10 0.00 0.00 34.13 31.18 3dlx s GLU 201 CO 0.01 0.53 1.04 0.00 0.02 0.00 0.00 175.26 176.86 3dlx n ALA 202 N -0.06 0.10 -3.50 5.21 0.00 -0.30 -4.77 120.51 117.19 3dlx n ALA 202 Ca -0.05 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 3dlx n ALA 202 Cb 0.52 -2.16 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.70 2.63 0.21 0.00 1.01 -0.25 -4.89 121.20 118.21 3dlx s ILE 203 Ca 0.76 -0.78 0.10 0.00 0.00 0.00 0.00 60.65 60.72 3dlx s ILE 203 Cb -0.36 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 3dlx s ILE 203 CO 0.48 0.51 -0.19 0.42 0.00 0.00 0.00 174.94 176.16 3dlx s THR 204 N 0.86 2.08 0.33 2.92 -4.23 -1.26 -3.92 115.64 112.42 3dlx s THR 204 Ca -0.04 -2.13 0.09 0.00 -1.18 0.00 0.00 61.69 58.42 3dlx s THR 204 Cb -0.15 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 3dlx s THR 204 CO -0.01 -0.35 0.10 -0.83 -0.54 0.00 0.00 174.62 172.99 3dlx s GLY 205 N -3.01 1.91 0.11 3.99 0.00 0.34 -4.97 107.32 105.69 3dlx s GLY 205 Ca 0.22 -1.82 -0.14 0.00 0.00 0.00 0.00 44.72 42.98 3dlx s GLY 205 CO 0.09 -1.77 1.42 -0.55 0.00 0.00 0.00 173.10 172.29 3dlx h ASP 206 N 1.63 0.82 -4.75 1.64 3.32 -1.14 -1.89 116.42 116.06 3dlx h ASP 206 Ca -0.44 -0.49 -0.26 0.00 0.02 0.00 0.00 57.03 55.86 3dlx h ASP 206 Cb 1.25 -0.23 -0.20 0.00 0.22 0.00 0.00 39.33 40.37 3dlx h ASP 206 CO 0.63 1.15 -0.73 -0.36 -1.72 0.00 0.00 179.24 178.21 3dlx s PHE 207 N -4.29 0.69 -0.08 4.55 0.40 -1.11 -1.93 117.98 116.21 3dlx s PHE 207 Ca -0.12 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.69 3dlx s PHE 207 Cb 0.09 -0.41 -0.00 0.00 0.51 0.00 0.00 43.02 43.21 3dlx s PHE 207 CO 0.85 -0.10 -0.21 0.00 0.70 0.00 0.00 175.22 176.46 3dlx s ALA 208 N -1.70 1.93 -0.33 5.36 0.00 -0.78 -0.86 121.76 125.38 3dlx s ALA 208 Ca -0.07 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 3dlx s ALA 208 Cb -0.08 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.39 3dlx s ALA 208 CO -0.00 0.29 0.08 -0.51 0.00 0.00 0.00 175.76 175.62 3dlx s LEU 209 N 0.22 4.19 -0.14 0.00 1.43 0.20 -0.89 118.68 123.68 3dlx s LEU 209 Ca -0.12 -1.14 0.02 0.00 -1.03 0.00 0.00 54.13 51.86 3dlx s LEU 209 Cb -0.16 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.24 3dlx s LEU 209 CO 0.06 -0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 175.43 3dlx s VAL 210 N 1.38 2.03 -0.12 -1.59 1.01 -0.16 -1.69 120.40 121.25 3dlx s VAL 210 Ca -0.02 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 60.83 3dlx s VAL 210 Cb -0.19 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3dlx s VAL 210 CO 0.02 0.54 0.45 -0.75 0.00 0.00 0.00 175.10 175.36 3dlx s LYS 211 N 0.88 4.32 0.39 2.72 2.47 -1.26 -0.05 119.74 129.21 3dlx s LYS 211 Ca -0.06 0.39 0.05 0.00 -1.56 0.00 0.00 55.97 54.79 3dlx s LYS 211 Cb -0.15 -3.43 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 3dlx s LYS 211 CO -0.03 0.18 0.17 0.00 0.16 0.00 0.00 175.35 175.82 3dlx s ALA 212 N 0.58 2.62 -0.15 3.13 0.00 0.57 -4.90 121.76 123.62 3dlx s ALA 212 Ca 0.24 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.65 3dlx s ALA 212 Cb -0.15 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3dlx s ALA 212 CO 0.09 -0.43 -0.16 1.87 0.00 0.00 0.00 175.76 177.13 3dlx n TRP 213 N -0.83 0.90 -4.09 0.00 -0.00 -0.37 -3.75 117.44 109.31 3dlx n TRP 213 Ca -0.02 0.39 -0.10 0.00 -0.00 0.00 0.00 57.50 57.76 3dlx n TRP 213 Cb 0.64 -0.79 -0.11 0.00 -0.00 0.00 0.00 31.31 31.06 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 -2.28 0.60 0.02 5.87 1.02 -1.15 -1.19 119.74 122.64 3dlx s LYS 214 Ca -0.16 -1.00 0.03 0.00 0.02 0.00 0.00 55.97 54.86 3dlx s LYS 214 Cb 0.02 -0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.22 3dlx s LYS 214 CO 0.25 -0.02 -0.10 0.00 -0.92 0.00 0.00 175.35 174.57 3dlx s ALA 215 N -2.58 0.79 0.79 5.17 0.00 -0.93 -1.51 121.76 123.50 3dlx s ALA 215 Ca -0.01 -0.56 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 3dlx s ALA 215 Cb -0.02 -0.13 0.11 0.00 0.00 0.00 0.00 23.12 23.08 3dlx s ALA 215 CO -0.03 0.14 1.12 0.16 0.00 0.00 0.00 175.76 177.15 3dlx s ASP 216 N -0.73 4.24 0.00 0.00 1.47 -0.64 -0.48 116.67 120.53 3dlx s ASP 216 Ca 0.00 0.34 0.23 0.00 1.18 0.00 0.00 52.55 54.30 3dlx s ASP 216 Cb -0.06 -0.77 1.31 0.00 -0.34 0.00 0.00 42.92 43.07 3dlx s ASP 216 CO 0.00 -1.99 1.74 0.54 0.68 0.00 0.00 175.17 176.14 3dlx n ARG 217 N -3.20 0.62 0.10 2.11 1.74 -0.43 -1.10 116.66 116.49 3dlx n ARG 217 Ca 0.11 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.33 3dlx n ARG 217 Cb 0.60 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.65 3dlx n ARG 217 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dlx h ALA 218 N 3.34 0.61 0.00 7.54 0.00 -1.94 -3.48 119.26 125.33 3dlx h ALA 218 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dlx h ALA 218 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3dlx h ALA 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3dlx n GLY 219 N 1.24 0.90 3.76 0.00 0.00 -0.26 -4.61 105.19 106.22 3dlx n GLY 219 Ca 0.02 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.05 5.48 0.01 1.61 0.01 -1.26 -3.96 114.94 114.78 3dlx s ASN 220 Ca 0.00 2.39 0.02 0.00 -0.71 0.00 0.00 52.86 54.56 3dlx s ASN 220 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 3dlx s ASN 220 CO 0.00 -1.40 -0.06 -0.69 -1.51 0.00 0.00 177.10 173.44 3dlx s VAL 221 N -1.57 0.48 0.18 1.60 1.01 -0.52 -1.61 120.40 119.97 3dlx s VAL 221 Ca 0.73 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.27 3dlx s VAL 221 Cb -0.30 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3dlx s VAL 221 CO 0.34 -0.05 -0.19 0.27 0.00 0.00 0.00 175.10 175.47 3dlx s ILE 222 N -0.57 1.96 0.09 2.22 -4.36 -0.57 -1.43 121.20 118.55 3dlx s ILE 222 Ca -0.02 -1.98 0.10 0.00 -0.26 0.00 0.00 60.65 58.50 3dlx s ILE 222 Cb -0.05 -1.93 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 3dlx s ILE 222 CO 0.00 -0.29 -0.26 -0.36 0.24 0.00 0.00 174.94 174.27 3dlx s PHE 223 N -2.02 2.26 -0.24 1.37 0.08 -1.26 -1.23 117.98 116.94 3dlx s PHE 223 Ca 0.18 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 3dlx s PHE 223 Cb -0.06 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3dlx s PHE 223 CO 0.08 0.24 0.09 0.50 -0.10 0.00 0.00 175.22 176.03 3dlx s ARG 224 N -1.71 3.80 4.80 0.44 3.52 -1.26 -4.90 118.95 123.63 3dlx s ARG 224 Ca 0.12 -0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 3dlx s ARG 224 Cb -0.10 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3dlx s ARG 224 CO 0.04 -0.07 0.00 1.63 -0.81 0.00 0.00 175.30 176.09 3dlx n LYS 225 N 4.59 0.00 -0.01 5.12 5.02 -1.26 -1.41 118.16 130.21 3dlx n LYS 225 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 3dlx n LYS 225 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.54 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 0.26 0.12 0.00 4.39 3.41 -0.24 -3.84 113.62 117.71 3dlx n SER 226 Ca 0.00 -2.00 0.14 0.00 -0.26 0.00 0.00 58.87 56.75 3dlx n SER 226 Cb 0.00 -0.02 0.73 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.44 2.42 0.34 7.33 0.00 -0.50 -3.76 120.51 125.90 3dlx n ALA 227 Ca 0.01 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 3dlx n ALA 227 Cb 0.02 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.94 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 -1.73 -3.40 114.38 110.82 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 0.23 0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 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 -4.95 0.00 0.16 -3.80 0.23 -1.25 -1.42 115.26 104.24 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 0.21 0.00 -2.08 0.00 0.00 39.78 38.26 3dlx n ASN 229 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 3dlx h PHE 230 N 0.00 0.00 -0.81 -2.53 -1.00 -1.88 -2.31 116.94 108.41 3dlx h PHE 230 Ca 0.00 0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.96 3dlx h PHE 230 Cb 0.00 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 39.45 3dlx h PHE 230 CO 0.00 0.00 0.30 -0.91 -1.61 0.00 0.00 178.31 176.09 3dlx h ASN 231 N 0.00 0.23 0.82 2.17 2.35 -1.52 -2.25 115.58 117.37 3dlx h ASN 231 Ca 0.00 0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3dlx h ASN 231 Cb 0.91 0.13 0.01 0.00 0.05 0.00 0.00 38.32 39.42 3dlx h ASN 231 CO 0.00 0.03 -0.39 0.25 -1.65 0.00 0.00 177.43 175.67 3dlx h LEU 232 N 0.39 -0.93 -1.43 1.61 6.46 -1.65 -2.48 115.31 117.29 3dlx h LEU 232 Ca 0.47 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 58.21 3dlx h LEU 232 Cb 0.81 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.97 3dlx h LEU 232 CO -0.48 -0.58 -0.08 1.55 -0.62 0.00 0.00 178.44 178.23 3dlx h PRO 233 N -1.25 0.28 0.00 5.25 0.13 -1.78 -2.78 132.00 131.85 3dlx h PRO 233 Ca -0.11 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.94 3dlx h PRO 233 Cb 0.85 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 3dlx h PRO 233 CO 0.18 0.37 -0.11 0.52 -0.23 0.00 0.00 178.00 178.73 3dlx h MET 234 N 0.27 0.00 0.00 0.86 2.86 -1.36 -1.97 114.93 115.59 3dlx h MET 234 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3dlx h MET 234 Cb 0.31 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 3dlx h MET 234 CO 0.02 0.11 -0.03 0.00 1.06 0.00 0.00 176.91 178.07 3dlx n LYS 236 N -3.75 0.33 -0.07 0.00 5.02 -0.74 -4.68 118.16 114.27 3dlx n LYS 236 Ca -0.03 -0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.08 3dlx n LYS 236 Cb 0.12 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.12 2.22 -2.60 7.82 0.00 -1.14 -3.93 120.51 121.76 3dlx n ALA 237 Ca 0.06 -2.08 -0.18 0.00 0.00 0.00 0.00 53.44 51.24 3dlx n ALA 237 Cb 0.36 -0.28 -0.12 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.26 1.31 0.27 0.00 0.00 -1.26 -0.50 121.76 119.32 3dlx s ALA 238 Ca 0.23 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3dlx s ALA 238 Cb 0.19 -0.08 0.35 0.00 0.00 0.00 0.00 23.12 23.59 3dlx s ALA 238 CO 0.03 0.13 1.83 0.93 0.00 0.00 0.00 175.76 178.68 3dlx h GLU 239 N 3.92 0.94 -3.60 0.00 5.08 -1.20 -3.40 114.58 116.32 3dlx h GLU 239 Ca -0.40 -0.17 -0.51 0.00 -1.00 0.00 0.00 59.36 57.28 3dlx h GLU 239 Cb 1.19 -0.15 -0.40 0.00 0.50 0.00 0.00 28.75 29.89 3dlx h GLU 239 CO 0.45 0.79 -0.77 0.99 -1.00 0.00 0.00 179.01 179.48 3dlx s THR 240 N -5.38 0.53 -0.15 1.13 2.01 -0.81 -5.03 115.64 107.94 3dlx s THR 240 Ca -0.11 -0.45 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 3dlx s THR 240 Cb 0.16 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 3dlx s THR 240 CO 0.81 -0.12 0.30 0.42 -0.69 0.00 0.00 174.62 175.34 3dlx s THR 241 N 1.87 5.30 -0.20 -0.82 -4.23 -1.26 -1.86 115.64 114.43 3dlx s THR 241 Ca 0.00 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 3dlx s THR 241 Cb -0.16 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3dlx s THR 241 CO -0.07 0.40 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.56 3dlx s VAL 242 N 0.40 2.38 -0.14 2.29 1.01 -0.07 -1.64 120.40 124.63 3dlx s VAL 242 Ca 0.17 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 3dlx s VAL 242 Cb -0.13 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3dlx s VAL 242 CO 0.04 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.84 3dlx s VAL 243 N 1.31 3.78 -0.12 2.92 1.01 0.05 -0.99 120.40 128.36 3dlx s VAL 243 Ca 0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3dlx s VAL 243 Cb -0.14 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3dlx s VAL 243 CO -0.10 0.51 0.02 -1.83 0.00 0.00 0.00 175.10 173.71 3dlx s GLU 244 N 0.18 3.37 0.29 2.72 -1.05 0.93 -1.18 118.70 123.95 3dlx s GLU 244 Ca -0.03 -0.39 0.06 0.00 -0.15 0.00 0.00 54.97 54.47 3dlx s GLU 244 Cb -0.14 -2.95 -0.06 0.00 -0.44 0.00 0.00 34.13 30.55 3dlx s GLU 244 CO 0.03 0.53 -0.04 0.14 0.95 0.00 0.00 175.26 176.88 3dlx s VAL 245 N -0.40 1.56 -0.13 1.83 -7.23 -0.60 -0.31 120.40 115.12 3dlx s VAL 245 Ca 0.08 -2.10 0.22 0.00 -1.81 0.00 0.00 61.98 58.37 3dlx s VAL 245 Cb -0.12 -2.50 -0.18 0.00 0.56 0.00 0.00 36.38 34.14 3dlx s VAL 245 CO 0.02 -0.26 0.73 -0.62 -0.31 0.00 0.00 175.10 174.66 3dlx n GLU 246 N -0.60 0.64 -3.73 4.82 1.02 -0.33 -1.34 120.64 121.11 3dlx n GLU 246 Ca -0.05 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.93 3dlx n GLU 246 Cb 0.64 -1.67 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.39 0.43 -0.20 3.49 2.12 -1.14 -4.88 118.70 115.13 3dlx s GLU 247 Ca -0.05 0.58 -0.08 0.00 0.36 0.00 0.00 54.97 55.78 3dlx s GLU 247 Cb 0.12 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 3dlx s GLU 247 CO 0.85 -0.08 0.08 0.42 -0.54 0.00 0.00 175.26 176.00 3dlx s ILE 248 N 0.46 4.84 0.43 -3.70 1.01 -1.26 -2.19 121.20 120.78 3dlx s ILE 248 Ca -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 60.65 60.68 3dlx s ILE 248 Cb -0.04 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 3dlx s ILE 248 CO -0.02 0.42 0.06 0.68 0.00 0.00 0.00 174.94 176.08 3dlx s VAL 249 N 0.66 1.96 0.45 2.92 -7.23 0.36 -4.97 120.40 114.56 3dlx s VAL 249 Ca 0.04 -1.91 -0.23 0.00 -1.81 0.00 0.00 61.98 58.07 3dlx s VAL 249 Cb -0.13 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 33.86 3dlx s VAL 249 CO 0.01 0.00 1.19 -1.81 -0.31 0.00 0.00 175.10 174.18 3dlx s ASP 250 N -3.79 6.17 -0.02 4.85 1.01 -1.26 -1.31 116.67 122.31 3dlx s ASP 250 Ca 0.33 2.36 -0.36 0.00 0.71 0.00 0.00 52.55 55.59 3dlx s ASP 250 Cb 0.07 -2.61 -0.15 0.00 1.01 0.00 0.00 42.92 41.24 3dlx s ASP 250 CO 0.17 -0.92 1.59 -0.38 0.21 0.00 0.00 175.17 175.85 3dlx n ILE 251 N -0.40 0.18 0.00 0.77 5.41 -1.26 -1.59 119.36 122.48 3dlx n ILE 251 Ca 0.07 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3dlx n ILE 251 Cb 0.47 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 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 3.47 0.23 0.09 7.39 0.00 -1.26 -4.96 105.19 110.15 3dlx n GLY 252 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3dlx n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlx n ALA 253 N -1.78 1.96 -2.99 4.61 0.00 -0.62 -4.66 120.51 117.03 3dlx n ALA 253 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 3dlx n ALA 253 Cb 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 17.91 3dlx n ALA 253 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dlx s PHE 254 N -3.17 2.94 0.37 0.00 0.08 -1.26 -5.08 117.98 111.86 3dlx s PHE 254 Ca 0.08 -0.42 -0.28 0.00 0.12 0.00 0.00 56.93 56.42 3dlx s PHE 254 Cb 0.11 -1.91 -0.11 0.00 -0.57 0.00 0.00 43.02 40.55 3dlx s PHE 254 CO 0.46 -0.09 1.48 0.00 -0.10 0.00 0.00 175.22 176.97 3dlx n ALA 255 N 3.49 2.28 0.27 5.36 0.00 -1.26 -4.88 120.51 125.76 3dlx n ALA 255 Ca -0.18 0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.73 3dlx n ALA 255 Cb 0.53 -2.41 0.74 0.00 0.00 0.00 0.00 19.45 18.31 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 3.05 0.00 0.00 0.00 0.13 -1.99 -1.17 132.00 132.02 3dlx h PRO 256 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3dlx h PRO 256 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3dlx h PRO 256 CO 0.65 0.09 0.00 0.93 -0.23 0.00 0.00 178.00 179.44 3dlx h GLU 257 N 0.00 0.00 -0.17 0.86 3.07 -2.06 -3.34 114.58 112.94 3dlx h GLU 257 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 3dlx h GLU 257 Cb 0.22 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 28.05 3dlx h GLU 257 CO 0.01 0.00 -0.52 -0.25 -1.40 0.00 0.00 179.01 176.85 3dlx n ASP 258 N -2.61 2.40 -4.59 1.42 8.00 -0.44 -4.96 116.55 115.76 3dlx n ASP 258 Ca 0.02 -3.87 -0.40 0.00 0.71 0.00 0.00 54.79 51.24 3dlx n ASP 258 Cb 0.28 -0.51 -0.08 0.00 -0.02 0.00 0.00 41.12 40.80 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 -3.50 5.06 -0.01 0.53 1.01 -1.24 -4.84 121.20 118.21 3dlx s ILE 259 Ca 0.41 0.64 -0.17 0.00 0.00 0.00 0.00 60.65 61.53 3dlx s ILE 259 Cb 0.38 -3.86 -0.34 0.00 0.01 0.00 0.00 42.46 38.66 3dlx s ILE 259 CO -0.04 -0.01 0.90 0.45 0.00 0.00 0.00 174.94 176.23 3dlx h HIS 260 N 8.20 0.82 -3.85 3.97 3.86 -1.80 -3.41 115.15 122.95 3dlx h HIS 260 Ca -0.29 -0.60 -0.67 0.00 -1.16 0.00 0.00 60.37 57.65 3dlx h HIS 260 Cb 1.14 -0.03 -0.37 0.00 1.06 0.00 0.00 27.41 29.21 3dlx h HIS 260 CO 0.75 1.53 -0.79 0.42 0.86 0.00 0.00 177.93 180.70 3dlx s ILE 261 N -2.55 2.23 0.59 2.45 -1.09 -0.52 -5.03 121.20 117.29 3dlx s ILE 261 Ca -0.12 -1.67 -0.19 0.00 -2.23 0.00 0.00 60.65 56.44 3dlx s ILE 261 Cb 0.04 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 3dlx s ILE 261 CO 0.90 -0.08 1.19 -2.84 -1.23 0.00 0.00 174.94 172.88 3dlx s PRO 262 N 1.10 3.03 0.66 2.79 0.02 -1.26 -1.43 135.00 139.91 3dlx s PRO 262 Ca -0.07 1.77 0.26 0.00 0.02 0.00 0.00 61.00 62.98 3dlx s PRO 262 Cb -0.20 -1.94 1.41 0.00 0.02 0.00 0.00 34.50 33.78 3dlx s PRO 262 CO -0.05 -1.14 1.79 -0.56 -0.33 0.00 0.00 177.00 176.71 3dlx h GLN 263 N 0.91 0.00 0.00 5.54 3.07 -1.89 -2.18 115.11 120.56 3dlx h GLN 263 Ca -0.50 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.23 3dlx h GLN 263 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.85 3dlx h GLN 263 CO 0.55 0.00 -0.02 0.97 0.09 0.00 0.00 178.83 180.42 3dlx h ILE 264 N 0.00 0.26 0.00 1.86 2.10 -1.89 -2.64 117.51 117.19 3dlx h ILE 264 Ca 0.01 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.79 3dlx h ILE 264 Cb 0.87 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 3dlx h ILE 264 CO -0.00 0.02 -1.01 -1.22 -1.08 0.00 0.00 178.15 174.86 3dlx n TYR 265 N -3.40 0.05 -3.54 2.19 4.01 -0.82 -4.86 117.16 110.80 3dlx n TYR 265 Ca -0.02 0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3dlx n TYR 265 Cb 0.13 -0.18 -0.11 0.00 -0.31 0.00 0.00 39.34 38.88 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 -3.09 4.90 -0.18 -0.72 1.01 -1.00 -4.68 120.40 116.64 3dlx s VAL 266 Ca 0.06 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 3dlx s VAL 266 Cb 0.16 -3.72 -0.22 0.00 0.00 0.00 0.00 36.38 32.60 3dlx s VAL 266 CO 0.83 -0.26 0.13 1.41 0.00 0.00 0.00 175.10 177.22 3dlx n HIS 267 N 5.07 0.79 -4.20 5.22 8.25 -1.18 -3.92 115.22 125.26 3dlx n HIS 267 Ca -0.11 0.19 -0.19 0.00 -0.26 0.00 0.00 57.72 57.35 3dlx n HIS 267 Cb 0.47 -1.10 -0.16 0.00 1.12 0.00 0.00 29.99 30.32 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 -2.52 0.77 -0.04 -0.41 0.52 -0.65 -0.54 118.95 116.08 3dlx s ARG 268 Ca -0.28 -0.15 0.02 0.00 -0.52 0.00 0.00 55.73 54.80 3dlx s ARG 268 Cb 0.08 -0.76 0.01 0.00 0.52 0.00 0.00 34.95 34.80 3dlx s ARG 268 CO 0.68 -0.01 -0.09 -1.17 0.02 0.00 0.00 175.30 174.73 3dlx s LEU 269 N 0.60 1.69 0.06 2.53 2.96 0.14 -0.77 118.68 125.89 3dlx s LEU 269 Ca -0.08 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3dlx s LEU 269 Cb -0.11 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 3dlx s LEU 269 CO 0.00 0.04 -0.15 0.27 -1.32 0.00 0.00 176.35 175.19 3dlx s ILE 270 N 0.39 1.19 -0.32 6.68 -4.36 -0.33 -1.17 121.20 123.28 3dlx s ILE 270 Ca -0.06 -1.23 -0.18 0.00 -0.26 0.00 0.00 60.65 58.91 3dlx s ILE 270 Cb -0.11 -1.11 -0.01 0.00 1.25 0.00 0.00 42.46 42.48 3dlx s ILE 270 CO 0.01 -0.12 0.52 -0.75 0.24 0.00 0.00 174.94 174.84 3dlx s LYS 271 N -1.55 3.79 0.29 0.37 2.20 -1.26 -1.56 119.74 122.02 3dlx s LYS 271 Ca 0.00 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 3dlx s LYS 271 Cb -0.09 -3.75 -0.11 0.00 -1.51 0.00 0.00 37.83 32.37 3dlx s LYS 271 CO 0.02 -0.54 1.49 0.20 -0.36 0.00 0.00 175.35 176.16 3dlx s GLY 272 N 1.69 2.37 0.17 5.54 0.00 -0.45 -4.91 107.32 111.73 3dlx s GLY 272 Ca 0.20 1.44 -0.12 0.00 0.00 0.00 0.00 44.72 46.24 3dlx s GLY 272 CO 0.12 2.35 1.69 -2.09 0.00 0.00 0.00 173.10 175.16 3dlx h GLU 273 N 4.60 0.91 -3.34 2.90 4.57 -1.96 -3.46 114.58 118.79 3dlx h GLU 273 Ca -0.47 -0.21 -0.19 0.00 -1.18 0.00 0.00 59.36 57.31 3dlx h GLU 273 Cb 1.22 -0.12 -0.26 0.00 -0.16 0.00 0.00 28.75 29.42 3dlx h GLU 273 CO 0.76 0.83 -0.53 0.21 -1.18 0.00 0.00 179.01 179.10 3dlx s LYS 274 N -5.35 0.19 -0.25 1.92 2.20 -1.26 -5.13 119.74 112.06 3dlx s LYS 274 Ca -0.13 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.70 3dlx s LYS 274 Cb 0.13 0.09 0.07 0.00 -1.51 0.00 0.00 37.83 36.61 3dlx s LYS 274 CO 0.81 -0.02 0.03 0.71 -0.36 0.00 0.00 175.35 176.51 3dlx s TYR 275 N 0.08 1.83 0.17 4.03 2.02 -1.26 -4.68 117.35 119.54 3dlx s TYR 275 Ca -0.00 -1.53 -0.05 0.00 -0.37 0.00 0.00 57.07 55.12 3dlx s TYR 275 Cb -0.01 -1.52 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 3dlx s TYR 275 CO 0.00 -0.76 1.45 0.93 -1.57 0.00 0.00 175.55 175.60 3dlx h GLU 276 N 8.07 0.57 -6.78 -0.62 5.08 -2.01 -3.48 114.58 115.42 3dlx h GLU 276 Ca -0.15 -0.40 -0.50 0.00 -1.00 0.00 0.00 59.36 57.30 3dlx h GLU 276 Cb 1.07 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 3dlx h GLU 276 CO 0.41 1.02 -1.09 1.63 -1.00 0.00 0.00 179.01 179.98 3dlx n LYS 277 N -3.92 -1.40 -2.31 2.33 5.02 -1.26 -4.90 118.16 111.71 3dlx n LYS 277 Ca -0.04 0.68 -0.37 0.00 -2.02 0.00 0.00 58.31 56.56 3dlx n LYS 277 Cb 0.66 -2.30 -0.01 0.00 -0.02 0.00 0.00 35.03 33.35 3dlx n LYS 277 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dlx s ARG 278 N -5.23 3.80 -0.22 1.97 0.52 -1.26 -4.83 118.95 113.68 3dlx s ARG 278 Ca 0.06 1.71 -0.07 0.00 -0.52 0.00 0.00 55.73 56.91 3dlx s ARG 278 Cb -0.03 -2.39 -0.03 0.00 0.52 0.00 0.00 34.95 33.02 3dlx s ARG 278 CO 0.91 -0.50 0.05 0.42 0.02 0.00 0.00 175.30 176.19 3dlx s ILE 279 N -1.59 4.26 0.10 1.52 1.01 -1.26 -4.83 121.20 120.41 3dlx s ILE 279 Ca 0.63 -0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.96 3dlx s ILE 279 Cb -0.27 -2.96 -0.14 0.00 0.01 0.00 0.00 42.46 39.11 3dlx s ILE 279 CO 0.33 0.38 1.33 -0.08 0.00 0.00 0.00 174.94 176.90 3dlx h GLU 280 N 7.79 0.80 -3.26 2.79 4.81 -1.96 -3.42 114.58 122.13 3dlx h GLU 280 Ca -0.37 -0.60 -0.54 0.00 -0.13 0.00 0.00 59.36 57.72 3dlx h GLU 280 Cb 1.18 0.11 -0.40 0.00 0.63 0.00 0.00 28.75 30.26 3dlx h GLU 280 CO 0.60 1.21 -0.77 1.03 -0.73 0.00 0.00 179.01 180.36 3dlx s ARG 281 N -3.89 0.47 -0.72 1.92 0.52 -1.25 -5.08 118.95 110.91 3dlx s ARG 281 Ca -0.11 -0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.22 3dlx s ARG 281 Cb 0.09 -1.75 0.04 0.00 0.52 0.00 0.00 34.95 33.86 3dlx s ARG 281 CO 0.89 -0.87 1.18 -1.17 0.02 0.00 0.00 175.30 175.35 3dlx s LEU 282 N 1.89 3.57 -0.39 2.53 2.96 -1.26 -2.78 118.68 125.19 3dlx s LEU 282 Ca 0.06 -0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 53.22 3dlx s LEU 282 Cb -0.17 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.06 3dlx s LEU 282 CO -0.23 -1.70 0.22 -0.44 -1.32 0.00 0.00 176.35 172.88 3dlx s SER 283 N 3.75 5.64 -0.03 3.68 0.01 -1.26 -4.99 113.70 120.50 3dlx s SER 283 Ca 0.31 -1.24 0.02 0.00 1.31 0.00 0.00 55.95 56.35 3dlx s SER 283 Cb -0.11 -1.99 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 3dlx s SER 283 CO 0.13 -0.45 -0.08 -0.63 0.41 0.00 0.00 173.24 172.62 3dlx s ILE 284 N 1.48 3.58 0.22 1.44 -1.09 -1.26 -4.06 121.20 121.50 3dlx s ILE 284 Ca 0.02 -0.66 -0.32 0.00 -2.23 0.00 0.00 60.65 57.46 3dlx s ILE 284 Cb -0.21 -2.50 -0.12 0.00 -1.58 0.00 0.00 42.46 38.05 3dlx s ILE 284 CO 0.04 0.50 1.66 -1.14 -1.23 0.00 0.00 174.94 174.77 3dlx n ARG 285 N 1.93 2.60 0.00 2.79 0.63 -0.31 -4.91 116.66 119.39 3dlx n ARG 285 Ca -0.17 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 3dlx n ARG 285 Cb 0.53 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.69 3dlx n ARG 285 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3dlx n LYS 286 N 3.43 3.23 0.00 -0.14 -0.00 -1.26 -4.90 118.16 118.51 3dlx n LYS 286 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 3dlx n LYS 286 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.37 3dlx n LYS 286 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3dlx n PRO 297 N 0.00 0.00 -2.75 -1.58 -0.01 -1.26 -5.17 135.00 124.23 3dlx n PRO 297 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 63.50 63.31 3dlx n PRO 297 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 3dlx n PRO 297 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3dlx n GLY 298 N 0.00 3.68 0.03 -1.23 0.00 -1.26 -4.92 105.19 101.49 3dlx n GLY 298 Ca 0.00 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.17 3dlx n GLY 298 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dlx n ASP 299 N -0.13 0.59 0.06 1.61 9.92 -1.26 -4.04 116.55 123.30 3dlx n ASP 299 Ca 0.23 -0.05 -0.12 0.00 -0.53 0.00 0.00 54.79 54.32 3dlx n ASP 299 Cb 0.69 0.25 -0.06 0.00 -0.64 0.00 0.00 41.12 41.36 3dlx n ASP 299 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3dlx h ASP 300 N 0.00 -1.09 0.98 -2.24 3.32 -2.00 0.91 116.42 116.30 3dlx h ASP 300 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3dlx h ASP 300 Cb 0.64 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3dlx h ASP 300 CO 0.00 -0.42 -0.74 -0.37 -1.72 0.00 0.00 179.24 175.99 3dlx h VAL 301 N -0.52 0.00 0.12 -1.35 -1.51 -2.00 -3.30 116.25 107.69 3dlx h VAL 301 Ca 0.06 -0.72 -0.29 0.00 -1.23 0.00 0.00 66.70 64.51 3dlx h VAL 301 Cb 0.60 1.29 0.02 0.00 -2.13 0.00 0.00 31.29 31.07 3dlx h VAL 301 CO -0.29 0.00 -1.23 -0.09 -1.23 0.00 0.00 177.57 174.73 3dlx h ARG 302 N 0.00 0.56 -0.45 5.19 2.43 -1.67 -2.98 114.38 117.46 3dlx h ARG 302 Ca 0.00 -0.76 -0.03 0.00 -0.81 0.00 0.00 59.98 58.38 3dlx h ARG 302 Cb 0.86 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 3dlx h ARG 302 CO 0.00 1.34 0.16 0.93 -1.51 0.00 0.00 179.97 180.89 3dlx h GLU 303 N 0.24 0.64 -0.43 0.20 5.08 -0.91 -2.27 114.58 117.13 3dlx h GLU 303 Ca -0.18 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3dlx h GLU 303 Cb 1.90 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.98 3dlx h GLU 303 CO 0.23 0.54 0.12 0.00 -1.00 0.00 0.00 179.01 178.90 3dlx h ARG 304 N 0.64 0.26 -0.48 2.33 3.08 -1.62 -1.17 114.38 117.42 3dlx h ARG 304 Ca 0.15 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 3dlx h ARG 304 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 3dlx h ARG 304 CO -0.01 0.17 -0.18 0.82 -1.07 0.00 0.00 179.97 179.70 3dlx h ILE 305 N 0.27 1.27 -0.25 2.04 2.04 -1.32 -2.35 117.51 119.20 3dlx h ILE 305 Ca 0.20 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.65 3dlx h ILE 305 Cb 0.23 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3dlx h ILE 305 CO -0.24 0.46 -0.18 0.40 0.00 0.00 0.00 178.15 178.59 3dlx h ILE 306 N 0.82 1.31 0.00 -0.67 2.04 -1.32 0.35 117.51 120.03 3dlx h ILE 306 Ca 0.11 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 3dlx h ILE 306 Cb 0.75 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3dlx h ILE 306 CO 0.06 0.41 -0.26 0.11 0.00 0.00 0.00 178.15 178.47 3dlx h LYS 307 N 0.28 0.00 0.15 2.37 1.57 -1.23 -0.49 116.57 119.22 3dlx h LYS 307 Ca 0.05 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.63 3dlx h LYS 307 Cb 0.71 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.04 3dlx h LYS 307 CO 0.05 0.26 -0.86 -0.09 -0.57 0.00 0.00 179.45 178.24 3dlx h ARG 308 N 0.00 0.31 -0.15 3.15 9.65 -1.18 -0.89 114.38 125.28 3dlx h ARG 308 Ca -0.00 -0.53 0.01 0.00 -1.10 0.00 0.00 59.98 58.35 3dlx h ARG 308 Cb 0.55 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3dlx h ARG 308 CO 0.03 1.25 0.10 0.00 2.80 0.00 0.00 179.97 184.16 3dlx h ALA 309 N 0.08 1.92 0.00 2.80 0.00 -0.20 -2.12 119.26 121.75 3dlx h ALA 309 Ca -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3dlx h ALA 309 Cb 1.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3dlx h ALA 309 CO 0.16 0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.34 3dlx h ALA 310 N 1.91 1.74 0.00 0.00 0.00 -1.22 -1.41 119.26 120.28 3dlx h ALA 310 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dlx h ALA 310 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dlx h ALA 310 CO -0.01 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3dlx n LEU 311 N -4.31 0.00 0.14 0.00 4.77 -0.79 -3.07 117.00 113.74 3dlx n LEU 311 Ca -0.03 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.39 3dlx n LEU 311 Cb 0.20 -0.30 0.40 0.00 -2.33 0.00 0.00 43.42 41.39 3dlx n LEU 311 CO 0.35 -0.09 0.88 -0.33 -1.33 0.00 0.00 177.39 176.86 3dlx h GLU 312 N 0.00 0.00 -6.82 3.23 4.39 -1.37 -3.46 114.58 110.55 3dlx h GLU 312 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3dlx h GLU 312 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3dlx h GLU 312 CO 0.00 0.00 0.27 -0.06 -1.16 0.00 0.00 179.01 178.06 3dlx s PHE 313 N -3.19 3.62 0.08 4.33 0.08 -1.17 -5.08 117.98 116.65 3dlx s PHE 313 Ca 0.08 1.64 0.04 0.00 0.12 0.00 0.00 56.93 58.81 3dlx s PHE 313 Cb 0.10 -2.82 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 3dlx s PHE 313 CO 0.57 0.19 -0.11 -1.21 -0.10 0.00 0.00 175.22 174.57 3dlx s GLU 314 N -2.22 0.79 0.09 0.44 2.02 -1.26 -5.04 118.70 113.51 3dlx s GLU 314 Ca 0.50 -1.05 -0.35 0.00 0.02 0.00 0.00 54.97 54.09 3dlx s GLU 314 Cb -0.16 -0.56 -0.14 0.00 0.10 0.00 0.00 34.13 33.36 3dlx s GLU 314 CO 0.21 0.10 1.58 -3.47 0.02 0.00 0.00 175.26 173.70 3dlx n ASP 315 N 0.86 2.81 0.00 -0.19 2.03 -1.26 -2.31 116.55 118.48 3dlx n ASP 315 Ca -0.18 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.20 3dlx n ASP 315 Cb 0.56 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 3dlx n ASP 315 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dlx n GLY 316 N 3.40 0.77 3.75 0.27 0.00 0.97 -4.97 105.19 109.39 3dlx n GLY 316 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.35 4.66 -0.27 1.61 0.00 -0.98 -4.83 119.30 119.14 3dlx s MET 317 Ca 0.00 1.72 -0.13 0.00 0.00 0.00 0.00 55.69 57.28 3dlx s MET 317 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 34.83 31.55 3dlx s MET 317 CO 0.00 0.21 0.31 0.71 0.00 0.00 0.00 175.02 176.25 3dlx s TYR 318 N -0.83 3.24 0.05 4.11 2.02 -1.26 0.20 117.35 124.88 3dlx s TYR 318 Ca 0.46 0.31 0.06 0.00 -0.37 0.00 0.00 57.07 57.52 3dlx s TYR 318 Cb -0.30 -2.50 -0.02 0.00 -0.40 0.00 0.00 41.96 38.74 3dlx s TYR 318 CO 0.37 -0.20 -0.16 0.00 -1.57 0.00 0.00 175.55 174.00 3dlx s ALA 319 N 1.94 1.34 -0.20 3.71 0.00 -0.33 -0.10 121.76 128.13 3dlx s ALA 319 Ca 0.12 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 3dlx s ALA 319 Cb -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3dlx s ALA 319 CO 0.10 0.26 -0.12 1.21 0.00 0.00 0.00 175.76 177.22 3dlx s ASN 320 N -1.24 3.78 -0.19 0.00 3.84 0.08 -0.94 114.94 120.27 3dlx s ASN 320 Ca 0.03 -0.50 -0.07 0.00 0.21 0.00 0.00 52.86 52.53 3dlx s ASN 320 Cb -0.08 -1.62 -0.04 0.00 -0.55 0.00 0.00 41.25 38.96 3dlx s ASN 320 CO 0.02 -0.00 0.06 -0.76 -2.79 0.00 0.00 177.10 173.62 3dlx s LEU 321 N 1.34 3.74 0.68 3.21 1.43 -1.26 -1.91 118.68 125.90 3dlx s LEU 321 Ca 0.05 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 3dlx s LEU 321 Cb -0.14 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 3dlx s LEU 321 CO -0.07 0.14 1.08 -0.83 0.23 0.00 0.00 176.35 176.90 3dlx s GLY 322 N 0.57 1.64 0.53 -3.19 0.00 0.15 -4.71 107.32 102.31 3dlx s GLY 322 Ca 0.03 -0.26 -0.21 0.00 0.00 0.00 0.00 44.72 44.29 3dlx s GLY 322 CO 0.01 0.08 1.19 -0.42 0.00 0.00 0.00 173.10 173.97 3dlx s ILE 323 N -3.30 2.85 0.00 0.90 1.09 -1.26 -2.75 121.20 118.74 3dlx s ILE 323 Ca 0.57 0.58 0.00 0.00 -1.10 0.00 0.00 60.65 60.70 3dlx s ILE 323 Cb -0.11 -3.27 0.00 0.00 -1.06 0.00 0.00 42.46 38.02 3dlx s ILE 323 CO 0.53 -0.07 0.00 0.61 -0.10 0.00 0.00 174.94 175.91 3dlx n GLY 324 N 0.43 0.66 0.30 6.18 0.00 -1.26 -4.37 105.19 107.13 3dlx n GLY 324 Ca 0.11 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.39 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 1.04 -0.76 -0.61 2.04 -1.88 -3.28 117.51 114.05 3dlx h ILE 325 Ca 0.00 -0.30 0.12 0.00 1.00 0.00 0.00 64.86 65.67 3dlx h ILE 325 Cb 0.00 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.08 3dlx h ILE 325 CO 0.00 0.16 0.37 -0.65 0.00 0.00 0.00 178.15 178.03 3dlx h PRO 326 N 0.88 0.57 -0.88 2.37 0.11 -1.82 -0.54 132.00 132.68 3dlx h PRO 326 Ca 0.34 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 66.65 3dlx h PRO 326 Cb 0.14 -0.13 -0.14 0.00 0.11 0.00 0.00 31.00 30.98 3dlx h PRO 326 CO -0.16 0.38 0.26 -0.07 -0.21 0.00 0.00 178.00 178.19 3dlx h LEU 327 N 0.59 0.04 -1.27 2.35 4.07 -1.57 -2.71 115.31 116.80 3dlx h LEU 327 Ca 0.39 0.19 -0.05 0.00 0.08 0.00 0.00 57.88 58.49 3dlx h LEU 327 Cb 0.49 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 3dlx h LEU 327 CO -0.32 -0.14 -0.26 -0.07 -1.08 0.00 0.00 178.44 176.57 3dlx h LEU 328 N 0.22 0.00 -0.09 1.67 3.38 -1.27 -2.52 115.31 116.71 3dlx h LEU 328 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 3dlx h LEU 328 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3dlx h LEU 328 CO -0.64 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.15 3dlx n ALA 329 N -2.28 2.14 -0.19 1.53 0.00 -1.02 -3.29 120.51 117.39 3dlx n ALA 329 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 3dlx n ALA 329 Cb 0.41 -1.43 0.13 0.00 0.00 0.00 0.00 19.45 18.55 3dlx n ALA 329 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dlx h SER 330 N 0.00 0.92 -0.00 0.00 4.64 -1.53 -1.32 113.55 116.26 3dlx h SER 330 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3dlx h SER 330 Cb 0.54 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3dlx h SER 330 CO 0.00 0.88 0.02 0.78 -0.87 0.00 0.00 176.83 177.64 3dlx h ASN 331 N 0.94 0.00 -0.03 4.97 2.35 -1.73 -2.06 115.58 120.02 3dlx h ASN 331 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3dlx h ASN 331 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3dlx h ASN 331 CO -0.00 0.00 -0.09 0.49 -1.65 0.00 0.00 177.43 176.18 3dlx n PHE 332 N -3.07 0.00 -1.67 1.19 3.01 -0.52 -4.93 117.46 111.46 3dlx n PHE 332 Ca -0.03 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.96 3dlx n PHE 332 Cb 0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.51 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 1.03 0.27 -1.63 4.37 5.41 -0.78 -4.89 119.36 123.15 3dlx n ILE 333 Ca 0.12 -0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.39 3dlx n ILE 333 Cb 0.55 -1.70 -0.01 0.00 -0.71 0.00 0.00 39.64 37.77 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 4.91 1.75 -0.03 4.38 2.88 -1.26 -4.86 113.62 121.39 3dlx n SER 334 Ca 0.20 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 59.05 3dlx n SER 334 Cb 0.29 -1.36 0.82 0.00 -0.75 0.00 0.00 64.21 63.21 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 0.56 0.74 0.14 -1.46 -0.04 -1.26 -2.78 135.00 130.90 3dlx n PRO 335 Ca 0.08 -0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.61 3dlx n PRO 335 Cb 0.35 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.68 3dlx n PRO 335 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3dlx h ASN 336 N 0.13 0.00 -1.91 3.54 -0.26 -2.01 -3.46 115.58 111.61 3dlx h ASN 336 Ca 0.00 0.00 -0.61 0.00 -0.56 0.00 0.00 56.30 55.13 3dlx h ASN 336 Cb 0.18 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.31 3dlx h ASN 336 CO 0.00 0.00 -0.65 0.27 -1.06 0.00 0.00 177.43 175.99 3dlx s ILE 337 N -3.18 2.33 -0.26 2.81 -4.36 -1.12 -5.06 121.20 112.37 3dlx s ILE 337 Ca 0.09 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 3dlx s ILE 337 Cb 0.10 -2.72 0.04 0.00 1.25 0.00 0.00 42.46 41.13 3dlx s ILE 337 CO 0.59 -0.18 -0.07 0.28 0.24 0.00 0.00 174.94 175.80 3dlx s THR 338 N -2.59 2.60 -0.12 8.37 -1.32 -1.26 -4.83 115.64 116.48 3dlx s THR 338 Ca 0.33 -1.34 -0.11 0.00 -1.21 0.00 0.00 61.69 59.37 3dlx s THR 338 Cb 0.02 -2.42 -0.05 0.00 -1.51 0.00 0.00 72.50 68.54 3dlx s THR 338 CO 0.17 0.06 0.24 -0.69 -2.21 0.00 0.00 174.62 172.20 3dlx s VAL 339 N 1.22 5.33 -0.32 5.08 1.01 -1.26 -0.02 120.40 131.44 3dlx s VAL 339 Ca -0.04 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 3dlx s VAL 339 Cb -0.18 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3dlx s VAL 339 CO -0.04 0.51 0.22 -1.00 0.00 0.00 0.00 175.10 174.78 3dlx s HIS 340 N -0.34 3.22 -0.21 5.22 3.76 0.13 -4.98 115.29 122.09 3dlx s HIS 340 Ca 0.16 -0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 54.80 3dlx s HIS 340 Cb -0.13 -2.44 -0.05 0.00 1.11 0.00 0.00 32.58 31.07 3dlx s HIS 340 CO 0.05 -0.32 0.12 -0.51 -0.85 0.00 0.00 174.74 173.23 3dlx s LEU 341 N 1.72 4.07 -0.09 0.89 1.43 -1.26 -1.18 118.68 124.25 3dlx s LEU 341 Ca 0.06 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 3dlx s LEU 341 Cb -0.17 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 3dlx s LEU 341 CO 0.10 0.14 -0.01 -1.58 0.23 0.00 0.00 176.35 175.23 3dlx s GLN 342 N 0.61 3.00 -0.10 1.70 -0.44 -0.11 -0.82 119.66 123.49 3dlx s GLN 342 Ca 0.07 -0.44 0.03 0.00 -2.50 0.00 0.00 55.36 52.51 3dlx s GLN 342 Cb -0.12 -2.77 -0.01 0.00 -1.64 0.00 0.00 33.01 28.47 3dlx s GLN 342 CO 0.01 0.66 -0.20 0.45 0.50 0.00 0.00 175.29 176.70 3dlx s SER 343 N -0.76 3.40 0.61 6.67 0.15 0.50 -4.39 113.70 119.89 3dlx s SER 343 Ca 0.12 -0.47 0.35 0.00 0.70 0.00 0.00 55.95 56.65 3dlx s SER 343 Cb -0.11 -1.41 2.00 0.00 -1.71 0.00 0.00 66.02 64.79 3dlx s SER 343 CO 0.02 0.17 2.27 1.05 1.20 0.00 0.00 173.24 177.96 3dlx h GLU 344 N 6.62 0.00 0.00 5.44 4.11 -1.95 -1.28 114.58 127.52 3dlx h GLU 344 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 3dlx h GLU 344 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dlx h GLU 344 CO 0.50 0.01 0.00 0.27 0.07 0.00 0.00 179.01 179.86 3dlx n ASN 345 N -3.50 0.00 0.00 3.06 6.94 -1.26 -4.73 115.26 115.76 3dlx n ASN 345 Ca -0.03 -1.06 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 3dlx n ASN 345 Cb 0.10 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.52 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 0.65 1.10 3.13 4.83 0.00 -0.54 -4.13 105.19 110.22 3dlx n GLY 346 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.00 1.07 -0.08 1.61 1.01 -0.83 -1.66 120.40 119.53 3dlx s VAL 347 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 3dlx s VAL 347 Cb 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.45 3dlx s VAL 347 CO 0.00 0.05 -0.04 -0.22 0.00 0.00 0.00 175.10 174.90 3dlx s LEU 348 N -0.97 0.95 0.00 3.92 2.96 -0.66 -0.37 118.68 124.51 3dlx s LEU 348 Ca 0.02 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3dlx s LEU 348 Cb -0.07 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 46.02 3dlx s LEU 348 CO 0.01 -0.14 0.00 0.61 -1.32 0.00 0.00 176.35 175.51 3dlx n GLY 349 N 4.84 1.10 3.73 7.98 0.00 0.00 -1.00 105.19 121.85 3dlx n GLY 349 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3dlx n GLY 349 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dlx n LEU 350 N 0.00 4.14 0.00 0.99 4.77 -0.93 -1.76 117.00 124.21 3dlx n LEU 350 Ca 0.00 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 3dlx n LEU 350 Cb 0.00 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 3dlx n LEU 350 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3dlx n GLY 351 N 1.95 2.05 3.54 -0.72 0.00 -0.07 -4.65 105.19 107.29 3dlx n GLY 351 Ca 0.08 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 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 0.27 -0.80 0.60 1.61 0.04 -1.26 -4.41 135.00 131.04 3dlx s PRO 352 Ca 0.00 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.40 3dlx s PRO 352 Cb 0.00 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 3dlx s PRO 352 CO 0.00 -3.57 1.33 0.71 0.04 0.00 0.00 177.00 175.51 3dlx s TYR 353 N -2.65 2.16 0.40 0.56 2.02 -1.26 -2.08 117.35 116.50 3dlx s TYR 353 Ca 0.68 1.42 -0.21 0.00 -0.37 0.00 0.00 57.07 58.59 3dlx s TYR 353 Cb -0.21 -3.76 -0.11 0.00 -0.40 0.00 0.00 41.96 37.48 3dlx s TYR 353 CO 0.61 -2.97 0.93 -1.25 -1.57 0.00 0.00 175.55 171.31 3dlx s PRO 354 N -3.15 4.27 0.72 -1.71 0.04 -1.26 -4.27 135.00 129.64 3dlx s PRO 354 Ca 0.78 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 3dlx s PRO 354 Cb -0.39 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 31.89 3dlx s PRO 354 CO 0.44 0.03 1.18 1.03 0.04 0.00 0.00 177.00 179.72 3dlx s ARG 355 N -2.99 2.23 0.20 4.56 3.00 -1.26 -1.16 118.95 123.52 3dlx s ARG 355 Ca 0.60 1.66 -0.18 0.00 0.00 0.00 0.00 55.73 57.81 3dlx s ARG 355 Cb -0.11 -1.85 0.17 0.00 0.00 0.00 0.00 34.95 33.16 3dlx s ARG 355 CO 0.15 -1.75 1.41 0.94 0.00 0.00 0.00 175.30 176.06 3dlx n GLN 356 N -2.74 -0.25 0.30 3.54 -0.06 -1.26 -0.54 117.38 116.37 3dlx n GLN 356 Ca 0.13 1.40 0.20 0.00 -2.00 0.00 0.00 57.00 56.72 3dlx n GLN 356 Cb 0.51 -2.07 0.92 0.00 -4.06 0.00 0.00 30.24 25.54 3dlx n GLN 356 CO 0.00 0.00 0.00 1.12 -0.20 0.00 0.00 177.06 177.98 3dlx h HIS 357 N 0.00 0.00 0.00 3.69 2.07 -2.04 -2.25 115.15 116.62 3dlx h HIS 357 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 3dlx h HIS 357 Cb 0.51 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.49 3dlx h HIS 357 CO -0.83 0.00 -0.67 0.39 -3.07 0.00 0.00 177.93 173.75 3dlx n GLU 358 N -3.06 0.29 -1.83 5.12 1.02 0.30 -4.97 120.64 117.51 3dlx n GLU 358 Ca -0.01 0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 3dlx n GLU 358 Cb 0.20 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 3dlx n GLU 358 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dlx s ALA 359 N -3.17 3.70 -0.06 0.62 0.00 -0.85 -4.92 121.76 117.08 3dlx s ALA 359 Ca 0.06 1.52 -0.03 0.00 0.00 0.00 0.00 51.96 53.51 3dlx s ALA 359 Cb 0.14 -3.62 0.04 0.00 0.00 0.00 0.00 23.12 19.67 3dlx s ALA 359 CO 0.73 -0.94 0.12 0.34 0.00 0.00 0.00 175.76 176.01 3dlx s ASP 360 N 0.38 0.52 0.58 0.00 -1.08 -1.26 -5.04 116.67 110.77 3dlx s ASP 360 Ca 0.61 0.24 0.28 0.00 -0.52 0.00 0.00 52.55 53.16 3dlx s ASP 360 Cb -0.46 0.13 1.69 0.00 -1.46 0.00 0.00 42.92 42.81 3dlx s ASP 360 CO 0.49 -0.21 2.16 0.00 0.52 0.00 0.00 175.17 178.13 3dlx h ALA 361 N 7.95 1.73 -0.01 3.66 0.00 -1.90 -1.37 119.26 129.33 3dlx h ALA 361 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3dlx h ALA 361 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3dlx h ALA 361 CO 0.26 -0.18 -0.01 -0.25 0.00 0.00 0.00 179.25 179.07 3dlx n ASP 362 N -3.87 0.58 -3.76 0.00 8.00 -1.26 -4.62 116.55 111.61 3dlx n ASP 362 Ca -0.00 -1.10 -0.29 0.00 0.71 0.00 0.00 54.79 54.11 3dlx n ASP 362 Cb 0.23 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.07 1.93 0.16 0.64 2.96 -0.52 -1.08 118.68 120.69 3dlx s LEU 363 Ca 0.42 -1.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 3dlx s LEU 363 Cb 0.21 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 3dlx s LEU 363 CO 0.37 -0.35 0.04 0.27 -1.32 0.00 0.00 176.35 175.36 3dlx s ILE 364 N 1.67 0.33 0.22 6.68 -4.36 -1.26 -2.63 121.20 121.84 3dlx s ILE 364 Ca 0.04 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.51 3dlx s ILE 364 Cb -0.17 -2.13 0.04 0.00 1.25 0.00 0.00 42.46 41.45 3dlx s ILE 364 CO -0.17 -0.42 0.30 -0.46 0.24 0.00 0.00 174.94 174.43 3dlx n ASN 365 N -0.17 0.63 0.22 4.36 0.23 -0.09 -4.85 115.26 115.58 3dlx n ASN 365 Ca -0.05 -1.48 0.14 0.00 -0.53 0.00 0.00 54.58 52.66 3dlx n ASN 365 Cb 0.64 -0.17 0.48 0.00 -2.08 0.00 0.00 39.78 38.65 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 0.07 1.00 -0.08 -2.53 0.00 -1.95 -1.53 119.26 114.24 3dlx h ALA 366 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dlx h ALA 366 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3dlx h ALA 366 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3dlx n GLY 367 N 0.47 -0.11 2.42 0.00 0.00 -1.26 -4.90 105.19 101.80 3dlx n GLY 367 Ca 0.02 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.19 -1.68 -3.50 1.61 5.02 -0.57 -4.99 118.16 113.86 3dlx n LYS 368 Ca 0.03 0.97 -0.38 0.00 -2.02 0.00 0.00 58.31 56.91 3dlx n LYS 368 Cb 0.13 -5.51 -0.06 0.00 -0.02 0.00 0.00 35.03 29.57 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 -4.51 3.95 0.20 1.97 2.02 -1.26 -3.85 118.70 117.21 3dlx s GLU 369 Ca 0.00 0.40 -0.32 0.00 0.02 0.00 0.00 54.97 55.07 3dlx s GLU 369 Cb 0.00 -3.24 -0.11 0.00 0.10 0.00 0.00 34.13 30.88 3dlx s GLU 369 CO 0.00 0.65 1.65 0.95 0.02 0.00 0.00 175.26 178.53 3dlx s THR 370 N -0.94 2.27 0.39 3.63 -4.23 -1.12 -0.91 115.64 114.74 3dlx s THR 370 Ca 0.24 0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 3dlx s THR 370 Cb -0.16 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.52 3dlx s THR 370 CO 0.13 0.02 0.16 0.68 -0.54 0.00 0.00 174.62 175.07 3dlx s VAL 371 N 1.07 0.44 0.43 2.29 -7.23 -1.08 -4.30 120.40 112.02 3dlx s VAL 371 Ca 0.72 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.94 3dlx s VAL 371 Cb -0.47 -2.37 -0.06 0.00 0.56 0.00 0.00 36.38 34.03 3dlx s VAL 371 CO 0.33 0.00 0.01 0.42 -0.31 0.00 0.00 175.10 175.55 3dlx s THR 372 N -3.28 1.74 0.17 5.32 -4.23 -0.88 -4.60 115.64 109.89 3dlx s THR 372 Ca 0.27 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.89 3dlx s THR 372 Cb 0.02 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3dlx s THR 372 CO 0.17 0.00 -0.20 0.27 -0.54 0.00 0.00 174.62 174.33 3dlx s ILE 373 N -2.80 2.64 0.45 2.99 -4.36 -1.26 -0.89 121.20 117.98 3dlx s ILE 373 Ca 0.29 -1.82 -0.02 0.00 -0.26 0.00 0.00 60.65 58.84 3dlx s ILE 373 Cb 0.08 -2.26 -0.02 0.00 1.25 0.00 0.00 42.46 41.51 3dlx s ILE 373 CO 0.15 -0.06 0.71 -0.76 0.24 0.00 0.00 174.94 175.22 3dlx s LEU 374 N -2.55 3.67 0.32 0.37 1.43 -0.72 -4.64 118.68 116.55 3dlx s LEU 374 Ca 0.21 0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 53.60 3dlx s LEU 374 Cb -0.09 -3.47 -0.12 0.00 0.03 0.00 0.00 46.19 42.54 3dlx s LEU 374 CO 0.11 -0.62 1.48 -2.65 0.23 0.00 0.00 176.35 174.90 3dlx n PRO 375 N -2.14 2.50 -0.20 1.29 -0.02 -1.26 -1.97 135.00 133.19 3dlx n PRO 375 Ca 0.00 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3dlx n PRO 375 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 1.38 0.85 3.72 -1.23 0.00 -1.26 -5.07 105.19 103.58 3dlx n GLY 376 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.56 2.02 0.15 4.61 0.00 -0.83 -4.93 121.76 120.21 3dlx s ALA 377 Ca 0.00 0.70 0.02 0.00 0.00 0.00 0.00 51.96 52.68 3dlx s ALA 377 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3dlx s ALA 377 CO 0.00 -2.01 -0.03 -1.54 0.00 0.00 0.00 175.76 172.18 3dlx s SER 378 N -2.42 1.28 0.13 0.00 1.04 -0.17 -5.00 113.70 108.56 3dlx s SER 378 Ca 0.70 -1.10 0.09 0.00 0.48 0.00 0.00 55.95 56.12 3dlx s SER 378 Cb -0.25 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3dlx s SER 378 CO 0.49 -0.51 -0.21 -0.36 0.98 0.00 0.00 173.24 173.63 3dlx s PHE 379 N -3.60 1.90 0.14 5.02 0.08 -1.26 -1.66 117.98 118.60 3dlx s PHE 379 Ca 0.19 -0.42 -0.25 0.00 0.12 0.00 0.00 56.93 56.57 3dlx s PHE 379 Cb 0.05 -1.01 0.07 0.00 -0.57 0.00 0.00 43.02 41.56 3dlx s PHE 379 CO 0.01 0.27 0.88 -0.59 -0.10 0.00 0.00 175.22 175.69 3dlx s PHE 380 N -1.38 -0.22 0.83 0.36 -0.12 -0.66 -5.00 117.98 111.78 3dlx s PHE 380 Ca 0.10 -0.06 -0.12 0.00 -0.05 0.00 0.00 56.93 56.80 3dlx s PHE 380 Cb -0.09 0.62 0.09 0.00 -0.63 0.00 0.00 43.02 43.02 3dlx s PHE 380 CO 0.05 -0.83 1.20 -1.54 -0.05 0.00 0.00 175.22 174.05 3dlx s SER 381 N -2.82 4.34 0.26 1.98 1.04 -1.26 -4.33 113.70 112.91 3dlx s SER 381 Ca 0.10 0.72 -0.02 0.00 0.48 0.00 0.00 55.95 57.23 3dlx s SER 381 Cb -0.02 -1.16 0.34 0.00 0.10 0.00 0.00 66.02 65.28 3dlx s SER 381 CO -0.01 -2.00 1.77 0.28 0.98 0.00 0.00 173.24 174.25 3dlx h SER 382 N -1.13 0.76 -0.57 7.02 0.02 -1.69 0.21 113.55 118.19 3dlx h SER 382 Ca -0.46 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.29 3dlx h SER 382 Cb 1.32 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 3dlx h SER 382 CO 0.63 0.82 0.28 -2.24 -1.14 0.00 0.00 176.83 175.18 3dlx h ASP 383 N 0.75 0.76 0.34 3.07 2.03 -1.84 -2.19 116.42 119.34 3dlx h ASP 383 Ca 0.15 -0.08 -0.23 0.00 -0.73 0.00 0.00 57.03 56.14 3dlx h ASP 383 Cb 0.43 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 3dlx h ASP 383 CO 0.02 0.65 -0.95 -0.08 -1.03 0.00 0.00 179.24 177.85 3dlx h GLU 384 N 0.84 0.41 -0.09 4.15 4.57 -1.81 -1.93 114.58 120.72 3dlx h GLU 384 Ca 0.21 -0.45 0.03 0.00 -1.18 0.00 0.00 59.36 57.97 3dlx h GLU 384 Cb 0.10 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 3dlx h GLU 384 CO -0.03 1.11 -0.12 1.03 -1.18 0.00 0.00 179.01 179.83 3dlx h SER 385 N 0.23 -0.36 1.22 1.04 0.87 -0.80 -1.87 113.55 113.87 3dlx h SER 385 Ca -0.08 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 3dlx h SER 385 Cb 1.59 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 3dlx h SER 385 CO 0.17 -0.16 -0.20 -0.26 -0.53 0.00 0.00 176.83 175.84 3dlx h PHE 386 N -0.16 0.00 -0.79 2.24 0.04 -1.38 -2.43 116.94 114.46 3dlx h PHE 386 Ca 0.07 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 3dlx h PHE 386 Cb 0.26 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 3dlx h PHE 386 CO -0.22 0.20 0.31 0.00 -0.60 0.00 0.00 178.31 178.00 3dlx h ALA 387 N 1.80 1.03 -0.06 2.45 0.00 -1.15 0.70 119.26 124.01 3dlx h ALA 387 Ca -0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3dlx h ALA 387 Cb 0.87 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dlx h ALA 387 CO 0.03 0.66 -0.03 1.98 0.00 0.00 0.00 179.25 181.89 3dlx h MET 388 N 1.15 -0.02 0.58 0.00 -1.53 -0.87 0.12 114.93 114.37 3dlx h MET 388 Ca 0.26 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.50 3dlx h MET 388 Cb 0.23 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.28 3dlx h MET 388 CO -0.02 -0.01 -0.28 0.82 0.14 0.00 0.00 176.91 177.56 3dlx h ILE 389 N -0.02 0.04 -0.45 1.77 2.04 -1.45 -1.20 117.51 118.24 3dlx h ILE 389 Ca 0.03 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.51 3dlx h ILE 389 Cb 0.07 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 3dlx h ILE 389 CO -0.08 0.01 0.30 -0.09 0.00 0.00 0.00 178.15 178.29 3dlx h ARG 390 N -1.19 0.43 -0.02 2.37 2.43 0.35 -1.97 114.38 116.78 3dlx h ARG 390 Ca -0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3dlx h ARG 390 Cb 0.61 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3dlx h ARG 390 CO 0.13 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.29 3dlx n GLY 391 N -1.50 -0.72 1.95 2.80 0.00 0.43 -4.71 105.19 103.44 3dlx n GLY 391 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.95 0.40 0.16 -0.02 0.00 -0.74 -4.95 105.19 101.00 3dlx n GLY 392 Ca 0.18 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.45 1.61 3.86 -1.43 -3.43 115.15 112.31 3dlx h HIS 393 Ca 0.00 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.67 3dlx h HIS 393 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3dlx h HIS 393 CO 0.00 0.00 0.20 0.08 0.86 0.00 0.00 177.93 179.07 3dlx s VAL 394 N -3.23 4.72 -0.00 2.45 1.01 -1.24 -4.89 120.40 119.21 3dlx s VAL 394 Ca 0.05 1.72 -0.19 0.00 0.00 0.00 0.00 61.98 63.56 3dlx s VAL 394 Cb 0.08 -4.16 -0.29 0.00 0.00 0.00 0.00 36.38 32.01 3dlx s VAL 394 CO 0.70 0.34 1.01 0.44 0.00 0.00 0.00 175.10 177.59 3dlx h ASP 395 N 5.78 0.62 -3.66 3.32 3.32 -0.80 -3.41 116.42 121.59 3dlx h ASP 395 Ca -0.43 -0.86 -0.41 0.00 0.02 0.00 0.00 57.03 55.35 3dlx h ASP 395 Cb 1.21 -0.20 -0.32 0.00 0.22 0.00 0.00 39.33 40.24 3dlx h ASP 395 CO 0.72 1.43 -0.78 -0.22 -1.72 0.00 0.00 179.24 178.67 3dlx s LEU 396 N -7.99 1.62 -0.10 1.55 2.96 -0.72 -0.91 118.68 115.09 3dlx s LEU 396 Ca -0.12 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 3dlx s LEU 396 Cb 0.03 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.23 3dlx s LEU 396 CO 0.86 0.01 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.91 3dlx s THR 397 N 0.47 3.30 -0.12 3.68 2.01 0.21 -0.74 115.64 124.45 3dlx s THR 397 Ca -0.07 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.35 3dlx s THR 397 Cb -0.11 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 70.06 3dlx s THR 397 CO 0.00 0.55 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.02 3dlx s MET 398 N -0.12 2.18 0.05 4.92 1.75 -0.80 -1.33 119.30 125.95 3dlx s MET 398 Ca -0.00 -0.53 0.03 0.00 -1.25 0.00 0.00 55.69 53.93 3dlx s MET 398 Cb -0.13 -1.93 -0.03 0.00 2.84 0.00 0.00 34.83 35.58 3dlx s MET 398 CO 0.03 -0.13 -0.09 -0.51 -0.65 0.00 0.00 175.02 173.66 3dlx s LEU 399 N 1.20 2.27 0.78 4.11 1.43 -0.46 0.34 118.68 128.35 3dlx s LEU 399 Ca -0.02 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 3dlx s LEU 399 Cb -0.14 -0.26 0.06 0.00 0.03 0.00 0.00 46.19 45.89 3dlx s LEU 399 CO -0.05 -0.18 1.12 -0.83 0.23 0.00 0.00 176.35 176.64 3dlx s GLY 400 N -1.68 1.61 -0.07 -3.19 0.00 -1.26 -0.84 107.32 101.89 3dlx s GLY 400 Ca -0.07 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.10 3dlx s GLY 400 CO 0.01 0.05 0.39 0.00 0.00 0.00 0.00 173.10 173.55 3dlx s ALA 401 N -3.33 -0.98 -0.06 3.20 0.00 -1.26 -4.85 121.76 114.48 3dlx s ALA 401 Ca 0.60 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 3dlx s ALA 401 Cb -0.13 -0.20 -0.28 0.00 0.00 0.00 0.00 23.12 22.51 3dlx s ALA 401 CO 0.52 -0.25 0.62 0.52 0.00 0.00 0.00 175.76 177.18 3dlx h MET 402 N 4.35 0.31 -3.60 0.00 2.86 -1.62 -3.47 114.93 113.76 3dlx h MET 402 Ca -0.28 -0.53 -0.13 0.00 -2.06 0.00 0.00 59.70 56.69 3dlx h MET 402 Cb 1.17 0.20 -0.19 0.00 0.06 0.00 0.00 31.60 32.84 3dlx h MET 402 CO 0.34 1.20 -0.48 -0.65 1.06 0.00 0.00 176.91 178.38 3dlx s GLN 403 N -2.58 0.54 -0.02 1.72 -0.21 -0.65 -4.72 119.66 113.74 3dlx s GLN 403 Ca -0.16 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 54.72 3dlx s GLN 403 Cb 0.06 0.22 -0.00 0.00 1.00 0.00 0.00 33.01 34.29 3dlx s GLN 403 CO 0.83 -0.14 -0.10 0.08 -2.12 0.00 0.00 175.29 173.84 3dlx s VAL 404 N -1.90 0.85 0.31 1.09 1.01 -0.37 -0.81 120.40 120.58 3dlx s VAL 404 Ca -0.11 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3dlx s VAL 404 Cb -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 3dlx s VAL 404 CO -0.01 0.25 0.46 -0.94 0.00 0.00 0.00 175.10 174.86 3dlx s SER 405 N -0.03 6.19 0.43 3.32 1.04 -0.35 -1.71 113.70 122.60 3dlx s SER 405 Ca 0.00 0.14 0.29 0.00 0.48 0.00 0.00 55.95 56.85 3dlx s SER 405 Cb -0.07 -1.74 1.39 0.00 0.10 0.00 0.00 66.02 65.70 3dlx s SER 405 CO 0.00 -0.26 1.64 0.50 0.98 0.00 0.00 173.24 176.10 3dlx h LYS 406 N 0.93 0.12 -0.24 4.02 3.64 -0.33 -0.61 116.57 124.10 3dlx h LYS 406 Ca -0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3dlx h LYS 406 Cb 1.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 3dlx h LYS 406 CO 0.59 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 178.51 3dlx n TYR 407 N -4.69 0.31 0.00 1.91 4.01 -1.26 -3.49 117.16 113.94 3dlx n TYR 407 Ca 0.36 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3dlx n TYR 407 Cb 1.36 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.39 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 0.92 1.10 3.76 2.72 0.00 -0.24 -4.08 105.19 109.38 3dlx n GLY 408 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 5.59 -0.05 1.61 1.01 -1.26 -0.83 116.67 120.74 3dlx s ASP 409 Ca 0.00 2.32 0.05 0.00 0.71 0.00 0.00 52.55 55.63 3dlx s ASP 409 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3dlx s ASP 409 CO 0.00 -1.32 -0.21 -0.22 0.21 0.00 0.00 175.17 173.64 3dlx s LEU 410 N -3.73 1.98 -0.26 1.23 2.96 0.37 -1.21 118.68 120.03 3dlx s LEU 410 Ca 0.73 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 3dlx s LEU 410 Cb -0.28 -1.14 0.07 0.00 0.50 0.00 0.00 46.19 45.33 3dlx s LEU 410 CO 0.32 0.19 -0.08 0.00 -1.32 0.00 0.00 176.35 175.47 3dlx s ALA 411 N -0.06 2.45 0.00 5.97 0.00 0.01 0.26 121.76 130.39 3dlx s ALA 411 Ca -0.03 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.20 3dlx s ALA 411 Cb -0.12 -1.60 0.05 0.00 0.00 0.00 0.00 23.12 21.45 3dlx s ALA 411 CO 0.03 -1.26 0.97 0.27 0.00 0.00 0.00 175.76 175.77 3dlx n ASN 412 N 4.47 0.10 0.00 0.00 6.94 -1.26 -1.59 115.26 123.92 3dlx n ASN 412 Ca -0.11 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 3dlx n ASN 412 Cb 0.42 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.66 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 0.06 0.00 -3.77 -2.53 4.27 -1.26 -4.84 117.44 109.37 3dlx n TRP 413 Ca 0.00 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.48 3dlx n TRP 413 Cb 0.74 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.55 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 -0.34 0.14 -0.33 -2.67 0.00 -1.26 -4.38 119.30 110.46 3dlx s MET 414 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 55.69 56.06 3dlx s MET 414 Cb 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 34.83 34.84 3dlx s MET 414 CO 0.00 -0.12 0.03 0.42 0.00 0.00 0.00 175.02 175.35 3dlx s ILE 415 N 0.81 2.38 0.23 10.11 1.01 -0.71 -4.26 121.20 130.76 3dlx s ILE 415 Ca -0.06 -2.13 -0.32 0.00 0.00 0.00 0.00 60.65 58.15 3dlx s ILE 415 Cb -0.08 -2.65 -0.12 0.00 0.01 0.00 0.00 42.46 39.61 3dlx s ILE 415 CO -0.04 -0.46 1.61 -2.65 0.00 0.00 0.00 174.94 173.40 3dlx n PRO 416 N 4.34 2.53 -0.90 2.79 -0.02 -1.26 -1.15 135.00 141.32 3dlx n PRO 416 Ca -0.01 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3dlx n PRO 416 Cb 0.42 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 3.04 0.72 1.86 -1.23 0.00 -1.26 -4.79 105.19 103.53 3dlx n GLY 417 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.52 0.00 -3.63 1.61 2.85 -0.30 -5.07 118.16 111.10 3dlx n LYS 418 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 3dlx n LYS 418 Cb 0.00 -0.04 -0.15 0.00 -0.65 0.00 0.00 35.03 34.19 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 -1.94 0.43 -0.55 -1.58 -2.45 -0.42 -5.00 119.30 107.79 3dlx s MET 419 Ca 0.00 -0.73 0.04 0.00 -1.25 0.00 0.00 55.69 53.75 3dlx s MET 419 Cb 0.00 -1.58 0.16 0.00 1.25 0.00 0.00 34.83 34.66 3dlx s MET 419 CO 0.00 -0.97 0.39 0.08 1.05 0.00 0.00 175.02 175.57 3dlx s VAL 420 N 1.89 1.70 -0.19 10.11 1.01 -1.26 -1.74 120.40 131.91 3dlx s VAL 420 Ca 0.08 -3.35 0.05 0.00 0.00 0.00 0.00 61.98 58.76 3dlx s VAL 420 Cb -0.17 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.01 3dlx s VAL 420 CO -0.29 -1.06 0.19 0.29 0.00 0.00 0.00 175.10 174.23 3dlx n LYS 421 N 2.60 4.11 0.00 2.72 4.01 -1.26 -4.94 118.16 125.40 3dlx n LYS 421 Ca 0.21 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 3dlx n LYS 421 Cb 0.39 -0.83 0.00 0.00 -0.51 0.00 0.00 35.03 34.08 3dlx n LYS 421 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3dlx n GLY 422 N 1.37 2.71 0.03 0.72 0.00 -1.26 0.26 105.19 109.03 3dlx n GLY 422 Ca 0.01 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.55 0.19 0.00 1.61 0.00 -1.08 -4.88 117.12 112.42 3dlx n MET 423 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.73 3dlx n MET 423 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 33.22 31.63 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 1.40 2.78 0.59 3.17 0.00 -0.07 -1.47 105.19 111.59 3dlx n GLY 424 Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 0.46 0.25 -0.02 0.00 -1.26 -1.41 105.19 103.22 3dlx n GLY 425 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 3.70 0.76 -0.76 4.61 0.00 -1.68 -1.73 119.26 124.16 3dlx h ALA 426 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3dlx h ALA 426 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3dlx h ALA 426 CO 0.00 0.32 0.31 0.52 0.00 0.00 0.00 179.25 180.41 3dlx h MET 427 N 0.80 1.12 -0.86 0.00 2.86 -1.79 -2.66 114.93 114.40 3dlx h MET 427 Ca 0.20 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3dlx h MET 427 Cb 0.12 -0.19 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 3dlx h MET 427 CO -0.02 0.91 0.45 -0.44 1.06 0.00 0.00 176.91 178.86 3dlx h ASP 428 N 1.09 1.10 0.26 1.22 3.32 -1.83 -2.96 116.42 118.60 3dlx h ASP 428 Ca 0.25 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 3dlx h ASP 428 Cb 0.20 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3dlx h ASP 428 CO -0.02 0.90 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.22 3dlx h LEU 429 N 1.22 0.00 -3.09 1.55 3.38 -0.96 -2.29 115.31 115.11 3dlx h LEU 429 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3dlx h LEU 429 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3dlx h LEU 429 CO -0.04 0.10 0.00 1.33 0.09 0.00 0.00 178.44 179.92 3dlx n VAL 430 N -3.80 1.69 0.16 1.22 0.24 -1.14 -4.58 118.33 112.11 3dlx n VAL 430 Ca -0.02 -1.34 0.08 0.00 -2.04 0.00 0.00 64.34 61.02 3dlx n VAL 430 Cb 0.21 0.14 0.07 0.00 -1.47 0.00 0.00 33.84 32.79 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 2.68 0.00 -3.18 -1.34 4.64 -1.25 -3.47 113.55 111.64 3dlx h SER 431 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3dlx h SER 431 Cb 1.20 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 3dlx h SER 431 CO 0.15 0.20 -0.51 -0.55 -0.87 0.00 0.00 176.83 175.26 3dlx s SER 432 N -6.09 6.09 0.57 4.97 0.15 -1.26 -4.89 113.70 113.24 3dlx s SER 432 Ca 0.04 0.23 0.36 0.00 0.70 0.00 0.00 55.95 57.28 3dlx s SER 432 Cb 0.07 -2.05 1.58 0.00 -1.71 0.00 0.00 66.02 63.91 3dlx s SER 432 CO 0.73 0.22 2.06 0.00 1.20 0.00 0.00 173.24 177.45 3dlx h ALA 433 N 6.37 1.01 -0.21 5.45 0.00 -1.94 -3.12 119.26 126.83 3dlx h ALA 433 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3dlx h ALA 433 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dlx h ALA 433 CO 0.72 0.01 0.00 1.63 0.00 0.00 0.00 179.25 181.61 3dlx n LYS 434 N -3.11 1.62 -4.78 0.00 5.02 -1.26 -4.87 118.16 110.77 3dlx n LYS 434 Ca -0.00 -0.95 -0.25 0.00 -2.02 0.00 0.00 58.31 55.09 3dlx n LYS 434 Cb 0.26 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 33.82 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 -1.72 1.33 0.01 -0.18 2.01 -1.18 -4.83 115.64 111.07 3dlx s THR 435 Ca 0.25 -0.69 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 3dlx s THR 435 Cb 0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3dlx s THR 435 CO 0.19 0.38 0.81 -0.75 -0.69 0.00 0.00 174.62 174.56 3dlx s LYS 436 N -0.16 4.51 -0.24 4.92 2.20 -0.09 -4.90 119.74 125.98 3dlx s LYS 436 Ca 0.01 1.12 -0.02 0.00 -0.36 0.00 0.00 55.97 56.72 3dlx s LYS 436 Cb -0.09 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 3dlx s LYS 436 CO 0.01 0.14 -0.07 0.08 -0.36 0.00 0.00 175.35 175.15 3dlx s VAL 437 N 0.43 2.86 -0.16 4.02 1.01 -1.26 -0.61 120.40 126.68 3dlx s VAL 437 Ca 0.42 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 3dlx s VAL 437 Cb -0.20 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3dlx s VAL 437 CO 0.23 0.26 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 3dlx s VAL 438 N 1.34 3.42 -0.16 2.92 1.01 -0.44 -0.57 120.40 127.92 3dlx s VAL 438 Ca 0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 3dlx s VAL 438 Cb -0.16 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 3dlx s VAL 438 CO -0.05 0.49 0.37 -0.69 0.00 0.00 0.00 175.10 175.22 3dlx s VAL 439 N 0.63 5.24 -0.21 2.92 1.01 -0.13 -1.36 120.40 128.50 3dlx s VAL 439 Ca -0.05 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 3dlx s VAL 439 Cb -0.15 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3dlx s VAL 439 CO 0.03 0.33 -0.05 0.42 0.00 0.00 0.00 175.10 175.83 3dlx s THR 440 N 0.77 3.35 0.06 3.92 -4.23 -0.02 -0.64 115.64 118.86 3dlx s THR 440 Ca 0.20 -0.50 -0.26 0.00 -1.18 0.00 0.00 61.69 59.94 3dlx s THR 440 Cb -0.14 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.26 3dlx s THR 440 CO 0.07 0.43 0.69 0.00 -0.54 0.00 0.00 174.62 175.27 3dlx s MET 441 N 1.41 1.11 0.28 3.99 0.23 -0.89 -4.19 119.30 121.24 3dlx s MET 441 Ca 0.05 -0.22 -0.30 0.00 -1.03 0.00 0.00 55.69 54.19 3dlx s MET 441 Cb -0.14 0.52 -0.10 0.00 -1.53 0.00 0.00 34.83 33.57 3dlx s MET 441 CO -0.03 -0.45 1.41 -1.21 -2.03 0.00 0.00 175.02 172.71 3dlx s GLU 442 N -2.85 4.28 0.23 3.16 2.02 -1.26 -4.05 118.70 120.23 3dlx s GLU 442 Ca -0.02 2.30 -0.07 0.00 0.02 0.00 0.00 54.97 57.20 3dlx s GLU 442 Cb -0.01 -3.09 0.29 0.00 0.10 0.00 0.00 34.13 31.42 3dlx s GLU 442 CO -0.06 -0.37 1.84 1.25 0.02 0.00 0.00 175.26 177.95 3dlx h HIS 443 N 4.48 0.89 -3.32 1.61 -0.00 -1.94 -3.44 115.15 113.43 3dlx h HIS 443 Ca -0.47 0.03 -0.40 0.00 -0.00 0.00 0.00 60.37 59.53 3dlx h HIS 443 Cb 1.22 -0.28 -0.16 0.00 -0.00 0.00 0.00 27.41 28.19 3dlx h HIS 443 CO 0.59 0.45 -0.74 -1.12 -0.00 0.00 0.00 177.93 177.11 3dlx s SER 444 N -5.72 2.10 0.63 3.26 0.01 -1.26 -3.77 113.70 108.95 3dlx s SER 444 Ca -0.13 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.19 3dlx s SER 444 Cb 0.17 -0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.40 3dlx s SER 444 CO 0.78 -0.21 0.41 0.00 0.41 0.00 0.00 173.24 174.64 3dlx n ALA 445 N 0.05 -0.08 -1.74 1.44 0.00 0.19 -4.90 120.51 115.48 3dlx n ALA 445 Ca -0.12 -0.73 -0.39 0.00 0.00 0.00 0.00 53.44 52.19 3dlx n ALA 445 Cb 0.59 0.09 0.03 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.80 1.90 -1.24 0.00 4.76 -1.26 -2.43 118.16 118.09 3dlx n LYS 446 Ca 0.06 0.69 -0.08 0.00 -2.87 0.00 0.00 58.31 56.11 3dlx n LYS 446 Cb 0.23 -2.54 -0.04 0.00 -1.84 0.00 0.00 35.03 30.84 3dlx n LYS 446 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dlx n GLY 447 N 0.73 1.01 2.41 0.72 0.00 -1.26 -2.54 105.19 106.26 3dlx n GLY 447 Ca 0.08 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.33 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 0.49 -5.17 -4.70 1.61 5.15 -1.02 -4.95 115.26 106.67 3dlx n ASN 448 Ca -0.08 0.19 -0.42 0.00 -0.60 0.00 0.00 54.58 53.67 3dlx n ASN 448 Cb 0.29 -4.43 -0.03 0.00 -0.53 0.00 0.00 39.78 35.08 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 -2.79 3.76 0.35 5.20 0.00 -1.05 -4.74 121.76 122.49 3dlx s ALA 449 Ca 0.00 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 3dlx s ALA 449 Cb 0.00 -3.71 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 3dlx s ALA 449 CO 0.00 -1.07 1.38 0.72 0.00 0.00 0.00 175.76 176.79 3dlx n HIS 450 N 5.14 2.54 -0.02 0.00 -0.00 -1.26 0.56 115.22 122.18 3dlx n HIS 450 Ca 0.16 0.50 0.00 0.00 -0.00 0.00 0.00 57.72 58.38 3dlx n HIS 450 Cb 0.39 -2.46 -0.05 0.00 -0.00 0.00 0.00 29.99 27.86 3dlx n HIS 450 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3dlx n LYS 451 N 0.66 1.62 -3.61 -0.41 5.02 -1.25 -4.69 118.16 115.51 3dlx n LYS 451 Ca 0.04 -0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.92 3dlx n LYS 451 Cb 0.37 -1.16 -0.11 0.00 -0.02 0.00 0.00 35.03 34.10 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 -2.31 5.15 0.33 -0.18 1.01 -1.26 -1.24 121.20 122.71 3dlx s ILE 452 Ca -0.03 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 3dlx s ILE 452 Cb 0.03 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 39.05 3dlx s ILE 452 CO 0.27 0.24 0.59 0.00 0.00 0.00 0.00 174.94 176.04 3dlx s MET 453 N 1.73 1.92 0.02 2.79 0.23 -0.70 0.06 119.30 125.36 3dlx s MET 453 Ca 0.07 -1.48 -0.19 0.00 -1.03 0.00 0.00 55.69 53.05 3dlx s MET 453 Cb -0.16 0.52 -0.21 0.00 -1.53 0.00 0.00 34.83 33.45 3dlx s MET 453 CO 0.10 -0.84 1.16 1.49 -2.03 0.00 0.00 175.02 174.90 3dlx h GLU 454 N 2.10 0.45 -4.23 3.16 4.81 -1.88 0.38 114.58 119.37 3dlx h GLU 454 Ca -0.28 -0.42 -0.29 0.00 -0.13 0.00 0.00 59.36 58.25 3dlx h GLU 454 Cb 1.25 0.10 -0.26 0.00 0.63 0.00 0.00 28.75 30.47 3dlx h GLU 454 CO 0.37 1.06 -0.74 0.15 -0.73 0.00 0.00 179.01 179.13 3dlx s LYS 455 N -3.44 0.36 0.54 1.92 1.02 -1.26 -3.76 119.74 115.12 3dlx s LYS 455 Ca -0.13 -0.29 -0.20 0.00 0.02 0.00 0.00 55.97 55.36 3dlx s LYS 455 Cb 0.04 -0.27 -0.05 0.00 -0.52 0.00 0.00 37.83 37.03 3dlx s LYS 455 CO 0.82 0.07 1.21 0.00 -0.92 0.00 0.00 175.35 176.53 3dlx n THR 457 N -1.16 0.00 -3.56 0.00 -2.24 -1.26 -4.98 114.28 101.09 3dlx n THR 457 Ca 0.11 -0.22 -0.31 0.00 -2.27 0.00 0.00 64.05 61.36 3dlx n THR 457 Cb 0.49 0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 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 -3.05 4.21 0.28 3.22 1.43 -1.26 -5.05 118.68 118.46 3dlx s LEU 458 Ca 0.02 0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 53.53 3dlx s LEU 458 Cb 0.10 -3.45 -0.14 0.00 0.03 0.00 0.00 46.19 42.73 3dlx s LEU 458 CO 0.57 -0.02 1.03 -2.65 0.23 0.00 0.00 176.35 175.51 3dlx n PRO 459 N -0.14 1.33 -2.95 1.29 -0.02 -1.26 -4.83 135.00 128.42 3dlx n PRO 459 Ca -0.01 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 3dlx n PRO 459 Cb 0.52 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.49 4.39 -0.05 2.45 1.43 -1.26 -4.36 118.68 121.78 3dlx s LEU 460 Ca 0.60 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 55.36 3dlx s LEU 460 Cb -0.72 -3.70 -0.25 0.00 0.03 0.00 0.00 46.19 41.56 3dlx s LEU 460 CO 0.59 0.03 0.66 0.74 0.23 0.00 0.00 176.35 178.59 3dlx h THR 461 N 2.80 0.90 -2.04 5.49 2.02 -0.54 -3.42 112.91 118.12 3dlx h THR 461 Ca -0.47 -2.66 -0.05 0.00 0.77 0.00 0.00 66.41 64.00 3dlx h THR 461 Cb 1.19 2.54 -0.19 0.00 -1.74 0.00 0.00 68.15 69.96 3dlx h THR 461 CO 0.65 0.70 0.20 -0.83 0.37 0.00 0.00 175.52 176.62 3dlx s GLY 462 N -5.19 -0.57 -0.22 2.16 0.00 -1.07 -4.49 107.32 97.94 3dlx s GLY 462 Ca -0.10 1.30 -0.10 0.00 0.00 0.00 0.00 44.72 45.82 3dlx s GLY 462 CO 0.82 0.92 0.14 1.25 0.00 0.00 0.00 173.10 176.23 3dlx s LYS 463 N -1.32 4.14 -1.26 2.90 2.20 -1.26 -0.48 119.74 124.66 3dlx s LYS 463 Ca -0.10 -0.24 -0.09 0.00 -0.36 0.00 0.00 55.97 55.18 3dlx s LYS 463 Cb -0.00 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3dlx s LYS 463 CO 0.09 0.20 0.66 1.04 -0.36 0.00 0.00 175.35 176.98 3dlx n GLN 464 N 3.83 -2.78 0.00 4.03 6.02 -1.22 -4.84 117.38 122.43 3dlx n GLN 464 Ca -0.16 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 3dlx n GLN 464 Cb 0.52 -4.56 0.00 0.00 1.02 0.00 0.00 30.24 27.22 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 -1.28 4.83 -0.10 0.00 1.01 -0.60 -4.45 120.40 119.81 3dlx s VAL 466 Ca 0.00 1.94 0.04 0.00 0.00 0.00 0.00 61.98 63.96 3dlx s VAL 466 Cb 0.00 -4.27 -0.24 0.00 0.00 0.00 0.00 36.38 31.87 3dlx s VAL 466 CO 0.00 0.06 0.42 0.59 0.00 0.00 0.00 175.10 176.17 3dlx n ASN 467 N 4.73 1.45 -3.83 3.32 4.13 0.27 -4.64 115.26 120.69 3dlx n ASN 467 Ca 0.07 0.25 -0.12 0.00 1.68 0.00 0.00 54.58 56.46 3dlx n ASN 467 Cb 0.49 -0.37 -0.11 0.00 -1.54 0.00 0.00 39.78 38.25 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 -2.57 0.33 -0.20 3.52 3.52 -1.06 -0.98 118.95 121.53 3dlx s ARG 468 Ca -0.15 -0.02 0.01 0.00 -0.13 0.00 0.00 55.73 55.45 3dlx s ARG 468 Cb 0.07 0.15 0.03 0.00 -1.56 0.00 0.00 34.95 33.64 3dlx s ARG 468 CO 0.78 -0.07 -0.17 0.42 -0.81 0.00 0.00 175.30 175.46 3dlx s ILE 469 N -0.53 2.02 -0.23 4.11 1.01 -0.45 -0.95 121.20 126.18 3dlx s ILE 469 Ca -0.06 -1.08 -0.08 0.00 0.00 0.00 0.00 60.65 59.42 3dlx s ILE 469 Cb -0.04 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 3dlx s ILE 469 CO 0.01 0.38 0.10 -0.63 0.00 0.00 0.00 174.94 174.80 3dlx s ILE 470 N 1.27 4.79 0.00 2.92 1.01 0.19 -0.93 121.20 130.43 3dlx s ILE 470 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3dlx s ILE 470 Cb -0.15 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3dlx s ILE 470 CO -0.11 0.36 0.00 0.35 0.00 0.00 0.00 174.94 175.55 3dlx n THR 471 N 4.40 0.00 0.93 2.92 -2.24 0.03 -2.08 114.28 118.23 3dlx n THR 471 Ca -0.16 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 3dlx n THR 471 Cb 0.52 0.00 0.29 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.00 0.05 -0.08 -0.78 0.00 -1.26 -4.27 120.64 114.30 3dlx n GLU 472 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.06 3dlx n GLU 472 Cb 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 31.44 29.84 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 -1.60 0.36 -4.18 3.44 5.02 -1.26 -4.69 118.16 115.25 3dlx n LYS 473 Ca 0.05 0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.33 3dlx n LYS 473 Cb 0.35 -1.25 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.30 1.06 -0.15 7.82 0.00 -1.26 0.20 121.76 127.13 3dlx s ALA 474 Ca -0.20 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.39 3dlx s ALA 474 Cb 0.06 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3dlx s ALA 474 CO 0.33 -0.23 -0.21 0.08 0.00 0.00 0.00 175.76 175.73 3dlx s VAL 475 N -3.60 2.04 -0.07 0.00 1.01 -0.47 -0.79 120.40 118.52 3dlx s VAL 475 Ca 0.14 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3dlx s VAL 475 Cb 0.05 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3dlx s VAL 475 CO -0.03 0.54 -0.07 -0.36 0.00 0.00 0.00 175.10 175.17 3dlx s PHE 476 N 0.94 2.92 0.22 5.22 0.08 -0.11 -1.09 117.98 126.16 3dlx s PHE 476 Ca -0.04 0.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.90 3dlx s PHE 476 Cb -0.15 -1.70 -0.07 0.00 -0.57 0.00 0.00 43.02 40.52 3dlx s PHE 476 CO -0.05 0.32 0.58 -0.51 -0.10 0.00 0.00 175.22 175.46 3dlx s ASP 477 N -0.80 6.72 -0.14 1.36 1.01 -0.03 -1.34 116.67 123.45 3dlx s ASP 477 Ca 0.12 1.03 -0.00 0.00 0.71 0.00 0.00 52.55 54.41 3dlx s ASP 477 Cb -0.11 -2.27 0.03 0.00 1.01 0.00 0.00 42.92 41.58 3dlx s ASP 477 CO 0.01 -0.04 -0.10 -0.69 0.21 0.00 0.00 175.17 174.57 3dlx s VAL 478 N -1.73 1.27 -0.07 -1.27 1.01 -0.15 -0.93 120.40 118.54 3dlx s VAL 478 Ca 0.45 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3dlx s VAL 478 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3dlx s VAL 478 CO 0.20 0.34 -0.12 -0.62 0.00 0.00 0.00 175.10 174.90 3dlx s ASP 479 N 1.60 4.22 0.47 3.32 2.15 0.62 -4.64 116.67 124.40 3dlx s ASP 479 Ca 0.04 -0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.12 3dlx s ASP 479 Cb -0.13 -1.04 1.05 0.00 -0.30 0.00 0.00 42.92 42.50 3dlx s ASP 479 CO -0.09 0.33 1.88 0.07 -0.17 0.00 0.00 175.17 177.18 3dlx h LYS 480 N 5.49 0.00 0.00 4.34 2.10 -1.85 -0.64 116.57 126.01 3dlx h LYS 480 Ca -0.45 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 57.96 3dlx h LYS 480 Cb 1.17 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.45 3dlx h LYS 480 CO 0.52 0.17 -1.93 1.63 -2.00 0.00 0.00 179.45 177.83 3dlx n LYS 481 N -3.35 1.52 0.09 0.07 4.01 -1.26 -4.74 118.16 114.50 3dlx n LYS 481 Ca 0.00 0.02 -0.22 0.00 -0.51 0.00 0.00 58.31 57.59 3dlx n LYS 481 Cb 0.39 -1.35 -0.15 0.00 -0.51 0.00 0.00 35.03 33.41 3dlx n LYS 481 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 3dlx h LYS 482 N 0.00 0.41 0.00 1.97 1.57 -1.96 -3.51 116.57 115.05 3dlx h LYS 482 Ca -0.37 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 57.72 3dlx h LYS 482 Cb 1.78 0.26 0.00 0.00 0.08 0.00 0.00 32.23 34.35 3dlx h LYS 482 CO 0.00 1.31 0.00 0.41 -0.57 0.00 0.00 179.45 180.61 3dlx n GLY 483 N 1.78 0.22 3.86 3.86 0.00 -0.25 -4.96 105.19 109.71 3dlx n GLY 483 Ca -0.21 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 4.33 -0.10 0.99 1.43 -1.23 -0.28 118.68 123.83 3dlx s LEU 484 Ca 0.00 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 3dlx s LEU 484 Cb 0.00 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 43.10 3dlx s LEU 484 CO 0.00 0.13 -0.14 -0.89 0.23 0.00 0.00 176.35 175.68 3dlx s THR 485 N -1.45 1.41 -0.67 5.49 2.01 -0.10 -0.59 115.64 121.74 3dlx s THR 485 Ca 0.36 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.48 3dlx s THR 485 Cb -0.14 -1.29 0.03 0.00 0.01 0.00 0.00 72.50 71.10 3dlx s THR 485 CO 0.19 0.42 1.29 -0.22 -0.69 0.00 0.00 174.62 175.61 3dlx s LEU 486 N 0.94 3.27 -0.08 4.42 2.96 0.89 -0.85 118.68 130.23 3dlx s LEU 486 Ca -0.08 -0.19 0.18 0.00 -0.22 0.00 0.00 54.13 53.82 3dlx s LEU 486 Cb -0.15 -2.79 -0.23 0.00 0.50 0.00 0.00 46.19 43.52 3dlx s LEU 486 CO -0.00 -1.74 0.42 2.30 -1.32 0.00 0.00 176.35 176.00 3dlx n ILE 487 N 6.54 1.15 -4.06 6.68 -5.35 -0.25 -2.32 119.36 121.75 3dlx n ILE 487 Ca 0.06 -0.75 -0.11 0.00 -0.27 0.00 0.00 62.75 61.68 3dlx n ILE 487 Cb 0.49 -0.55 -0.11 0.00 -1.74 0.00 0.00 39.64 37.73 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 -2.78 0.53 -0.08 6.28 2.02 -1.07 -2.69 118.70 120.92 3dlx s GLU 488 Ca -0.07 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.02 3dlx s GLU 488 Cb 0.08 -0.15 0.04 0.00 0.10 0.00 0.00 34.13 34.20 3dlx s GLU 488 CO 0.84 0.00 0.20 -1.17 0.02 0.00 0.00 175.26 175.15 3dlx s LEU 489 N -1.89 0.60 -0.13 1.80 2.96 -0.86 -1.37 118.68 119.78 3dlx s LEU 489 Ca -0.07 0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 3dlx s LEU 489 Cb -0.06 0.56 -0.06 0.00 0.50 0.00 0.00 46.19 47.12 3dlx s LEU 489 CO -0.02 -0.15 2.08 0.86 -1.32 0.00 0.00 176.35 177.80 3dlx s TRP 490 N 1.17 1.28 0.27 5.38 -0.11 0.13 -0.67 118.94 126.39 3dlx s TRP 490 Ca -0.09 0.20 -0.28 0.00 1.22 0.00 0.00 56.10 57.15 3dlx s TRP 490 Cb -0.11 -4.05 -0.15 0.00 -1.50 0.00 0.00 33.47 27.67 3dlx s TRP 490 CO -0.07 -4.50 0.88 -0.85 -4.62 0.00 0.00 176.95 167.79 3dlx n GLU 491 N 8.26 1.01 0.00 5.86 -0.00 -1.26 -1.38 120.64 133.14 3dlx n GLU 491 Ca 0.25 0.36 0.00 0.00 -0.00 0.00 0.00 57.16 57.77 3dlx n GLU 491 Cb 0.44 -1.64 0.00 0.00 -0.00 0.00 0.00 31.44 30.24 3dlx n GLU 491 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dlx n GLY 492 N 1.42 3.07 3.83 -1.84 0.00 -1.26 -5.03 105.19 105.38 3dlx n GLY 492 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 4.35 0.00 0.99 1.43 -0.48 -5.12 118.68 119.86 3dlx s LEU 493 Ca 0.00 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 3dlx s LEU 493 Cb 0.00 -3.39 0.09 0.00 0.03 0.00 0.00 46.19 42.92 3dlx s LEU 493 CO 0.00 0.08 0.68 0.35 0.23 0.00 0.00 176.35 177.69 3dlx n THR 494 N 0.83 0.00 0.16 5.49 -2.24 -1.26 -4.80 114.28 112.46 3dlx n THR 494 Ca -0.04 -1.31 0.02 0.00 -2.27 0.00 0.00 64.05 60.45 3dlx n THR 494 Cb 0.51 -0.83 0.27 0.00 -2.10 0.00 0.00 70.33 68.18 3dlx n THR 494 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3dlx h VAL 495 N -0.25 1.19 0.00 2.28 2.07 -1.99 -3.00 116.25 116.55 3dlx h VAL 495 Ca -0.23 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 3dlx h VAL 495 Cb 0.93 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3dlx h VAL 495 CO 0.28 0.48 -0.10 0.44 0.02 0.00 0.00 177.57 178.68 3dlx h ASP 496 N 0.00 0.00 -0.15 0.57 3.32 -1.98 -1.49 116.42 116.69 3dlx h ASP 496 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3dlx h ASP 496 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3dlx h ASP 496 CO 0.06 0.10 -0.33 0.44 -1.72 0.00 0.00 179.24 177.80 3dlx h ASP 497 N 0.00 0.55 -0.47 6.45 3.32 -1.92 -1.85 116.42 122.49 3dlx h ASP 497 Ca -0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 57.03 56.44 3dlx h ASP 497 Cb 0.69 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3dlx h ASP 497 CO 0.01 1.01 0.12 0.58 -1.72 0.00 0.00 179.24 179.24 3dlx h VAL 498 N 0.11 1.24 -0.59 -1.35 2.07 -1.55 -3.06 116.25 113.11 3dlx h VAL 498 Ca 0.00 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 3dlx h VAL 498 Cb 0.93 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3dlx h VAL 498 CO 0.07 0.30 0.18 -0.61 0.02 0.00 0.00 177.57 177.53 3dlx h GLN 499 N 0.64 0.92 0.00 1.57 -0.00 -1.27 -1.30 115.11 115.67 3dlx h GLN 499 Ca 0.15 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3dlx h GLN 499 Cb 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.67 3dlx h GLN 499 CO 0.00 0.82 0.00 1.63 0.00 0.00 0.00 178.83 181.29 3dlx n LYS 500 N -4.41 0.20 0.00 1.69 5.02 -0.70 -2.55 118.16 117.41 3dlx n LYS 500 Ca 0.03 0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.51 3dlx n LYS 500 Cb 0.21 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3dlx n LYS 500 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3dlx n SER 501 N -1.28 0.84 -4.34 4.39 7.64 -0.78 -5.00 113.62 115.08 3dlx n SER 501 Ca 0.06 -0.92 -0.32 0.00 1.01 0.00 0.00 58.87 58.70 3dlx n SER 501 Cb 0.11 0.60 -0.15 0.00 -1.01 0.00 0.00 64.21 63.76 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 -1.22 2.70 -0.82 0.44 2.01 -0.56 -4.65 115.64 113.54 3dlx s THR 502 Ca 0.05 -0.81 0.04 0.00 0.31 0.00 0.00 61.69 61.28 3dlx s THR 502 Cb 0.05 -2.08 0.23 0.00 0.01 0.00 0.00 72.50 70.71 3dlx s THR 502 CO 0.20 0.55 0.86 0.61 -0.69 0.00 0.00 174.62 176.15 3dlx n GLY 503 N 3.23 1.86 3.71 4.40 0.00 0.11 -4.83 105.19 113.67 3dlx n GLY 503 Ca -0.18 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.99 4.71 -0.12 0.00 1.47 -1.26 -5.00 116.67 113.48 3dlx s ASP 505 Ca 0.18 0.43 -0.30 0.00 1.18 0.00 0.00 52.55 54.04 3dlx s ASP 505 Cb -0.03 -1.04 0.10 0.00 -0.34 0.00 0.00 42.92 41.61 3dlx s ASP 505 CO 0.09 -1.67 0.83 0.72 0.68 0.00 0.00 175.17 175.82 3dlx s PHE 506 N -3.29 -0.53 0.61 2.11 -0.12 -1.26 -4.65 117.98 110.84 3dlx s PHE 506 Ca 0.61 0.95 -0.15 0.00 -0.05 0.00 0.00 56.93 58.29 3dlx s PHE 506 Cb -0.10 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 3dlx s PHE 506 CO 0.45 -0.47 1.05 0.00 -0.05 0.00 0.00 175.22 176.20 3dlx s ALA 507 N -1.04 2.78 -0.24 1.99 0.00 0.25 -4.86 121.76 120.63 3dlx s ALA 507 Ca -0.06 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 3dlx s ALA 507 Cb -0.01 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3dlx s ALA 507 CO 0.05 -0.83 -0.05 0.08 0.00 0.00 0.00 175.76 175.01 3dlx s VAL 508 N -2.63 3.01 0.23 0.00 1.01 -1.26 -0.08 120.40 120.69 3dlx s VAL 508 Ca 0.61 -0.89 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 3dlx s VAL 508 Cb -0.15 -2.49 -0.14 0.00 0.00 0.00 0.00 36.38 33.61 3dlx s VAL 508 CO 0.41 0.25 1.31 -0.24 0.00 0.00 0.00 175.10 176.83 3dlx n SER 509 N 4.71 2.30 0.11 3.32 2.88 -0.98 -4.89 113.62 121.07 3dlx n SER 509 Ca -0.17 1.15 0.03 0.00 -1.33 0.00 0.00 58.87 58.55 3dlx n SER 509 Cb 0.48 -1.37 0.42 0.00 -0.75 0.00 0.00 64.21 62.99 3dlx n SER 509 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3dlx h PRO 510 N 3.72 0.26 -1.18 -1.46 0.13 -1.99 -1.52 132.00 129.97 3dlx h PRO 510 Ca -0.44 -0.05 -0.30 0.00 -0.87 0.00 0.00 66.00 64.34 3dlx h PRO 510 Cb 1.30 -0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.23 3dlx h PRO 510 CO 0.72 0.34 0.38 1.63 -0.23 0.00 0.00 178.00 180.84 3dlx n LYS 511 N -4.33 1.73 -1.68 0.86 4.01 -1.26 -4.96 118.16 112.53 3dlx n LYS 511 Ca -0.00 -1.61 -0.45 0.00 -0.51 0.00 0.00 58.31 55.74 3dlx n LYS 511 Cb 0.22 -1.63 -0.03 0.00 -0.51 0.00 0.00 35.03 33.08 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 -0.13 3.27 -4.25 -0.35 7.94 -0.57 -4.97 117.00 117.93 3dlx n LEU 512 Ca 0.32 1.12 -0.14 0.00 -1.11 0.00 0.00 56.01 56.20 3dlx n LEU 512 Cb 0.92 -1.45 -0.10 0.00 0.53 0.00 0.00 43.42 43.31 3dlx n LEU 512 CO 0.35 -0.35 -0.31 0.00 -1.11 0.00 0.00 177.39 175.97 3dlx s MET 513 N -0.02 1.16 0.50 1.96 0.23 -1.09 -5.03 119.30 117.00 3dlx s MET 513 Ca 0.71 -1.58 -0.23 0.00 -1.03 0.00 0.00 55.69 53.57 3dlx s MET 513 Cb -0.64 -0.25 -0.06 0.00 -1.53 0.00 0.00 34.83 32.35 3dlx s MET 513 CO 0.46 -0.17 1.29 -1.25 -2.03 0.00 0.00 175.02 173.32 3dlx s PRO 514 N -3.94 3.44 0.17 3.16 0.04 -1.26 -2.03 135.00 134.58 3dlx s PRO 514 Ca 0.27 2.07 -0.32 0.00 0.04 0.00 0.00 61.00 63.06 3dlx s PRO 514 Cb 0.06 -2.36 -0.11 0.00 0.04 0.00 0.00 34.50 32.13 3dlx s PRO 514 CO 0.06 -0.90 1.67 1.41 0.04 0.00 0.00 177.00 179.29 3dlx s MET 515 N -2.77 4.16 0.51 4.56 1.75 0.16 -4.65 119.30 123.02 3dlx s MET 515 Ca 0.67 2.50 -0.19 0.00 -1.25 0.00 0.00 55.69 57.41 3dlx s MET 515 Cb -0.36 -3.20 -0.08 0.00 2.84 0.00 0.00 34.83 34.03 3dlx s MET 515 CO 0.43 -0.71 1.04 -0.65 -0.65 0.00 0.00 175.02 174.49 3dlx s GLN 516 N 1.45 3.72 -0.03 4.11 -0.21 -1.26 -4.84 119.66 122.60 3dlx s GLN 516 Ca 0.74 1.32 -0.01 0.00 0.02 0.00 0.00 55.36 57.43 3dlx s GLN 516 Cb -0.46 -2.08 0.03 0.00 1.00 0.00 0.00 33.01 31.49 3dlx s GLN 516 CO 0.32 -0.50 0.03 -0.65 -2.12 0.00 0.00 175.29 172.38 3dlx s GLN 517 N -3.41 0.05 0.02 2.91 -1.52 -1.26 -4.04 119.66 112.40 3dlx s GLN 517 Ca 0.66 0.23 -0.30 0.00 -1.95 0.00 0.00 55.36 54.00 3dlx s GLN 517 Cb -0.16 -0.43 -0.07 0.00 -0.22 0.00 0.00 33.01 32.12 3dlx s GLN 517 CO 0.23 -0.23 1.70 -1.50 -0.25 0.00 0.00 175.29 175.24 3dlx s ILE 518 N 1.52 3.23 -2.14 1.08 2.07 -0.34 -4.98 121.20 121.65 3dlx s ILE 518 Ca -0.03 0.50 0.31 0.00 -1.41 0.00 0.00 60.65 60.01 3dlx s ILE 518 Cb -0.13 -3.32 0.81 0.00 0.13 0.00 0.00 42.46 39.95 3dlx s ILE 518 CO -0.03 -0.02 2.10 0.00 -1.91 0.00 0.00 174.94 175.07