#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbx s SER 64 N 0.00 1.36 -0.13 6.55 0.15 -1.26 0.04 113.70 120.41 3fbx s SER 64 Ca 0.00 -0.21 -0.07 0.00 0.70 0.00 0.00 55.95 56.37 3fbx s SER 64 Cb 0.00 -0.18 0.05 0.00 -1.71 0.00 0.00 66.02 64.18 3fbx s SER 64 CO 0.00 0.14 0.31 -0.60 1.20 0.00 0.00 173.24 174.29 3fbx s ARG 65 N -0.22 0.29 -0.08 5.44 3.52 -0.23 -5.00 118.95 122.67 3fbx s ARG 65 Ca 0.04 0.61 0.04 0.00 -0.13 0.00 0.00 55.73 56.28 3fbx s ARG 65 Cb -0.05 -0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 3fbx s ARG 65 CO -0.00 -0.15 -0.21 0.99 -0.81 0.00 0.00 175.30 175.12 3fbx s THR 66 N 1.17 1.79 0.03 4.11 2.01 -1.26 -1.32 115.64 122.16 3fbx s THR 66 Ca -0.08 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.06 3fbx s THR 66 Cb -0.09 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 3fbx s THR 66 CO -0.09 0.50 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.15 3fbx s ARG 67 N 0.34 0.44 0.01 4.92 1.81 -0.55 -0.92 118.95 125.01 3fbx s ARG 67 Ca -0.15 -0.71 0.05 0.00 -1.72 0.00 0.00 55.73 53.20 3fbx s ARG 67 Cb -0.17 -0.12 -0.02 0.00 -0.45 0.00 0.00 34.95 34.20 3fbx s ARG 67 CO 0.07 0.01 -0.15 -1.12 -0.68 0.00 0.00 175.30 173.42 3fbx s SER 68 N -1.56 1.83 -0.29 0.23 0.01 -0.25 -1.01 113.70 112.65 3fbx s SER 68 Ca -0.12 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 3fbx s SER 68 Cb -0.10 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 3fbx s SER 68 CO -0.00 0.13 0.12 -0.22 0.41 0.00 0.00 173.24 173.68 3fbx s LEU 69 N -0.75 3.92 -0.02 2.44 2.96 0.43 -0.83 118.68 126.85 3fbx s LEU 69 Ca 0.05 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3fbx s LEU 69 Cb -0.07 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3fbx s LEU 69 CO 0.00 -0.16 0.15 -0.76 -1.32 0.00 0.00 176.35 174.26 3fbx s LEU 70 N 1.59 4.23 -0.34 -0.68 1.02 0.41 -0.34 118.68 124.56 3fbx s LEU 70 Ca 0.05 0.29 -0.12 0.00 0.02 0.00 0.00 54.13 54.37 3fbx s LEU 70 Cb -0.17 -2.47 -0.01 0.00 0.02 0.00 0.00 46.19 43.57 3fbx s LEU 70 CO 0.05 0.28 0.22 -0.22 0.02 0.00 0.00 176.35 176.70 3fbx s LEU 71 N -1.81 4.48 -0.62 1.79 2.96 -1.26 -0.79 118.68 123.44 3fbx s LEU 71 Ca 0.25 -0.56 -0.27 0.00 -0.22 0.00 0.00 54.13 53.33 3fbx s LEU 71 Cb -0.12 -2.09 0.03 0.00 0.50 0.00 0.00 46.19 44.51 3fbx s LEU 71 CO 0.16 -0.26 1.18 -0.62 -1.32 0.00 0.00 176.35 175.49 3fbx s ASP 72 N 1.67 6.36 0.44 3.68 2.15 -0.63 -4.91 116.67 125.43 3fbx s ASP 72 Ca 0.05 -0.11 0.10 0.00 0.43 0.00 0.00 52.55 53.02 3fbx s ASP 72 Cb -0.18 -2.54 0.97 0.00 -0.30 0.00 0.00 42.92 40.88 3fbx s ASP 72 CO 0.09 -1.54 2.06 0.00 -0.17 0.00 0.00 175.17 175.62 3fbx h ALA 73 N 9.63 1.76 0.00 3.66 0.00 -1.93 -1.64 119.26 130.75 3fbx h ALA 73 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fbx h ALA 73 Cb 1.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3fbx h ALA 73 CO 1.20 0.20 0.00 0.00 0.00 0.00 0.00 179.25 180.65 3fbx n ALA 74 N -2.50 2.26 -0.10 0.00 0.00 -1.26 -4.23 120.51 114.68 3fbx n ALA 74 Ca 0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 3fbx n ALA 74 Cb 0.10 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.07 3fbx n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fbx n SER 75 N -1.21 2.15 -4.40 0.00 2.88 -0.63 -4.97 113.62 107.43 3fbx n SER 75 Ca 0.13 0.01 -0.45 0.00 -1.33 0.00 0.00 58.87 57.23 3fbx n SER 75 Cb 0.16 -0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 63.18 3fbx n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fbx s GLY 76 N -5.78 2.02 -0.00 0.46 0.00 -1.25 -5.09 107.32 97.68 3fbx s GLY 76 Ca -0.28 -2.70 0.01 0.00 0.00 0.00 0.00 44.72 41.75 3fbx s GLY 76 CO 0.44 1.74 0.01 1.20 0.00 0.00 0.00 173.10 176.49 3fbx s GLN 77 N 2.21 2.82 0.01 2.90 -1.52 -1.11 -4.85 119.66 120.12 3fbx s GLN 77 Ca 0.23 -0.59 -0.27 0.00 -1.95 0.00 0.00 55.36 52.78 3fbx s GLN 77 Cb -0.12 -2.69 -0.04 0.00 -0.22 0.00 0.00 33.01 29.94 3fbx s GLN 77 CO -0.04 0.63 0.86 -0.51 -0.25 0.00 0.00 175.29 175.98 3fbx s LEU 78 N -1.57 4.39 -0.00 2.90 1.43 -1.26 -1.61 118.68 122.96 3fbx s LEU 78 Ca 0.20 1.52 -0.02 0.00 -1.03 0.00 0.00 54.13 54.80 3fbx s LEU 78 Cb -0.12 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 3fbx s LEU 78 CO 0.11 -0.13 0.04 0.00 0.23 0.00 0.00 176.35 176.59 3fbx s ARG 79 N 0.57 0.21 0.03 1.70 1.70 0.03 -4.98 118.95 118.21 3fbx s ARG 79 Ca 0.45 -0.22 -0.22 0.00 -0.47 0.00 0.00 55.73 55.26 3fbx s ARG 79 Cb -0.20 0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 34.20 3fbx s ARG 79 CO 0.25 -0.04 0.66 -0.51 -1.08 0.00 0.00 175.30 174.58 3fbx s LEU 80 N -0.68 4.45 0.07 -1.89 1.43 -1.26 -0.45 118.68 120.35 3fbx s LEU 80 Ca -0.08 1.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.39 3fbx s LEU 80 Cb -0.05 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 3fbx s LEU 80 CO -0.00 0.10 -0.18 -1.61 0.23 0.00 0.00 176.35 174.88 3fbx s GLU 81 N -0.30 1.12 0.56 1.70 2.02 -0.01 -4.97 118.70 118.82 3fbx s GLU 81 Ca 0.34 -0.98 -0.17 0.00 0.02 0.00 0.00 54.97 54.17 3fbx s GLU 81 Cb -0.19 -1.25 -0.05 0.00 0.10 0.00 0.00 34.13 32.73 3fbx s GLU 81 CO 0.20 0.30 1.06 -0.51 0.02 0.00 0.00 175.26 176.34 3fbx s ASP 82 N -1.49 5.88 0.00 -0.19 1.11 -1.26 -1.09 116.67 119.63 3fbx s ASP 82 Ca 0.05 1.90 0.00 0.00 0.18 0.00 0.00 52.55 54.68 3fbx s ASP 82 Cb -0.09 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.35 3fbx s ASP 82 CO 0.03 -1.10 0.00 0.61 1.18 0.00 0.00 175.17 175.89 3fbx n GLY 83 N -0.61 -2.51 3.64 0.21 0.00 -0.10 -4.79 105.19 101.03 3fbx n GLY 83 Ca 0.09 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 3fbx n GLY 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fbx s PHE 84 N -0.66 3.31 -0.37 1.61 5.36 -1.26 -3.31 117.98 122.67 3fbx s PHE 84 Ca 0.00 0.53 0.00 0.00 -0.96 0.00 0.00 56.93 56.50 3fbx s PHE 84 Cb 0.00 -2.57 0.13 0.00 -0.34 0.00 0.00 43.02 40.24 3fbx s PHE 84 CO 0.00 -0.13 0.19 -1.01 -1.46 0.00 0.00 175.22 172.81 3fbx s HIS 85 N 1.74 1.30 0.57 10.12 3.76 -1.26 -5.00 115.29 126.52 3fbx s HIS 85 Ca 0.18 -1.84 0.25 0.00 -0.15 0.00 0.00 55.06 53.49 3fbx s HIS 85 Cb -0.15 -1.40 1.36 0.00 1.11 0.00 0.00 32.58 33.49 3fbx s HIS 85 CO 0.09 -0.82 1.75 -1.35 -0.85 0.00 0.00 174.74 173.55 3fbx h PRO 86 N 7.27 0.00 0.00 8.40 0.11 -1.98 0.60 132.00 146.40 3fbx h PRO 86 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3fbx h PRO 86 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3fbx h PRO 86 CO 0.40 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.57 3fbx h ASP 87 N 0.00 0.00 -4.00 -2.05 2.03 -1.99 -3.47 116.42 106.93 3fbx h ASP 87 Ca 0.00 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 55.83 3fbx h ASP 87 Cb 0.78 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 39.43 3fbx h ASP 87 CO 0.00 0.00 0.23 0.00 -1.03 0.00 0.00 179.24 178.44 3fbx s ALA 88 N -3.16 1.32 0.17 4.15 0.00 0.20 -4.90 121.76 119.55 3fbx s ALA 88 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 3fbx s ALA 88 Cb 0.11 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.10 3fbx s ALA 88 CO 0.57 -2.54 1.58 0.28 0.00 0.00 0.00 175.76 175.66 3fbx h VAL 89 N -1.68 1.27 -3.22 0.00 2.07 -1.01 -3.40 116.25 110.29 3fbx h VAL 89 Ca -0.51 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 65.64 3fbx h VAL 89 Cb 1.30 1.05 -0.13 0.00 -1.52 0.00 0.00 31.29 31.99 3fbx h VAL 89 CO 0.55 0.46 0.02 0.00 0.02 0.00 0.00 177.57 178.62 3fbx s ALA 90 N -4.75 -1.16 0.03 1.67 0.00 -1.22 0.03 121.76 116.36 3fbx s ALA 90 Ca -0.11 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 3fbx s ALA 90 Cb 0.13 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.98 3fbx s ALA 90 CO 0.86 -0.66 0.26 1.67 0.00 0.00 0.00 175.76 177.89 3fbx s TRP 91 N -3.65 -0.06 0.13 0.00 -2.14 -0.32 -0.43 118.94 112.48 3fbx s TRP 91 Ca 0.02 -0.07 -0.07 0.00 2.66 0.00 0.00 56.10 58.64 3fbx s TRP 91 Cb 0.01 0.05 -0.02 0.00 -3.10 0.00 0.00 33.47 30.41 3fbx s TRP 91 CO -0.11 -0.45 0.20 0.00 -2.66 0.00 0.00 176.95 173.92 3fbx s ALA 92 N -2.31 0.16 -0.22 2.67 0.00 -0.18 -0.95 121.76 120.93 3fbx s ALA 92 Ca -0.07 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 3fbx s ALA 92 Cb -0.02 0.74 0.11 0.00 0.00 0.00 0.00 23.12 23.96 3fbx s ALA 92 CO -0.02 -0.57 0.43 1.21 0.00 0.00 0.00 175.76 176.81 3fbx s ASN 93 N -2.96 -0.23 -0.12 0.00 2.47 -0.29 -1.48 114.94 112.33 3fbx s ASN 93 Ca 0.15 0.79 0.01 0.00 0.42 0.00 0.00 52.86 54.23 3fbx s ASN 93 Cb 0.05 1.38 -0.01 0.00 -1.45 0.00 0.00 41.25 41.22 3fbx s ASN 93 CO -0.03 -0.25 -0.15 -0.22 -3.72 0.00 0.00 177.10 172.73 3fbx s LEU 94 N 2.62 2.60 -0.29 3.21 0.20 -0.44 -0.79 118.68 125.80 3fbx s LEU 94 Ca 0.04 -0.37 -0.03 0.00 0.69 0.00 0.00 54.13 54.46 3fbx s LEU 94 Cb -0.13 -1.57 0.04 0.00 -0.43 0.00 0.00 46.19 44.09 3fbx s LEU 94 CO -0.14 0.17 0.01 -0.89 -0.29 0.00 0.00 176.35 175.20 3fbx s THR 95 N 0.33 3.19 -0.44 3.68 2.01 -0.28 -1.07 115.64 123.07 3fbx s THR 95 Ca -0.12 -1.16 -0.24 0.00 0.31 0.00 0.00 61.69 60.47 3fbx s THR 95 Cb -0.16 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.62 3fbx s THR 95 CO 0.06 -0.01 0.84 0.21 -0.69 0.00 0.00 174.62 175.04 3fbx s ASN 96 N 1.32 6.47 -0.17 3.53 3.84 0.11 -0.70 114.94 129.34 3fbx s ASN 96 Ca -0.02 0.07 0.14 0.00 0.21 0.00 0.00 52.86 53.25 3fbx s ASN 96 Cb -0.19 -2.42 0.42 0.00 -0.55 0.00 0.00 41.25 38.52 3fbx s ASN 96 CO -0.01 -0.94 1.21 0.00 -2.79 0.00 0.00 177.10 174.57 3fbx n ALA 97 N 6.85 3.42 -0.05 1.71 0.00 -1.01 -4.82 120.51 126.61 3fbx n ALA 97 Ca 0.04 -3.12 -0.01 0.00 0.00 0.00 0.00 53.44 50.34 3fbx n ALA 97 Cb 0.48 -0.43 0.25 0.00 0.00 0.00 0.00 19.45 19.76 3fbx n ALA 97 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3fbx h ILE 98 N 2.18 1.21 -0.54 0.00 2.04 -1.76 -0.12 117.51 120.52 3fbx h ILE 98 Ca -0.04 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 3fbx h ILE 98 Cb 1.18 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3fbx h ILE 98 CO 0.02 0.28 0.14 -0.09 0.00 0.00 0.00 178.15 178.51 3fbx h ARG 99 N 0.62 0.82 0.04 2.37 1.12 -1.88 -1.58 114.38 115.90 3fbx h ARG 99 Ca 0.14 -0.16 -0.33 0.00 -1.11 0.00 0.00 59.98 58.51 3fbx h ARG 99 Cb 0.32 -0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.11 3fbx h ARG 99 CO 0.01 0.73 -1.94 0.39 -3.11 0.00 0.00 179.97 176.05 3fbx n GLU 100 N -4.28 0.68 0.00 0.20 4.71 -0.95 -4.73 120.64 116.27 3fbx n GLU 100 Ca 0.04 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 3fbx n GLU 100 Cb 0.22 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 3fbx n GLU 100 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3fbx n THR 101 N -3.17 0.00 -0.76 2.62 -2.24 -0.10 -4.94 114.28 105.68 3fbx n THR 101 Ca -0.26 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3fbx n THR 101 Cb 1.06 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3fbx n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fbx n GLY 102 N 0.56 0.79 3.20 3.38 0.00 -0.59 -4.38 105.19 108.14 3fbx n GLY 102 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3fbx n GLY 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fbx s TRP 103 N -2.97 1.57 0.30 1.61 0.52 -1.26 -4.47 118.94 114.24 3fbx s TRP 103 Ca 0.00 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.83 3fbx s TRP 103 Cb 0.00 -0.94 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 3fbx s TRP 103 CO 0.00 0.06 0.42 0.00 0.02 0.00 0.00 176.95 177.45 3fbx s ALA 104 N -0.76 4.11 -0.06 0.98 0.00 0.04 -2.15 121.76 123.92 3fbx s ALA 104 Ca 0.05 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.65 3fbx s ALA 104 Cb -0.08 -1.68 0.02 0.00 0.00 0.00 0.00 23.12 21.37 3fbx s ALA 104 CO 0.01 0.07 -0.09 -0.47 0.00 0.00 0.00 175.76 175.28 3fbx s TYR 105 N -2.10 1.24 -0.10 0.00 5.04 0.12 -1.12 117.35 120.43 3fbx s TYR 105 Ca 0.41 -0.45 0.03 0.00 -2.44 0.00 0.00 57.07 54.61 3fbx s TYR 105 Cb -0.09 -0.96 -0.01 0.00 0.35 0.00 0.00 41.96 41.24 3fbx s TYR 105 CO 0.30 -0.28 -0.19 -1.17 -1.34 0.00 0.00 175.55 172.87 3fbx s LEU 106 N 0.86 2.37 -0.14 6.97 2.96 -0.03 -1.12 118.68 130.56 3fbx s LEU 106 Ca -0.11 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 3fbx s LEU 106 Cb -0.15 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.08 3fbx s LEU 106 CO 0.01 0.20 -0.12 -0.62 -1.32 0.00 0.00 176.35 174.51 3fbx s ASP 107 N 0.13 2.52 -0.02 3.68 -1.08 0.03 -0.67 116.67 121.26 3fbx s ASP 107 Ca -0.10 -0.43 0.02 0.00 -0.52 0.00 0.00 52.55 51.52 3fbx s ASP 107 Cb -0.16 -1.05 0.00 0.00 -1.46 0.00 0.00 42.92 40.25 3fbx s ASP 107 CO 0.06 -0.08 -0.06 -0.22 0.52 0.00 0.00 175.17 175.38 3fbx s LEU 108 N 1.57 1.83 0.02 -1.34 0.20 -0.06 -1.14 118.68 119.76 3fbx s LEU 108 Ca 0.05 -0.13 0.03 0.00 0.69 0.00 0.00 54.13 54.77 3fbx s LEU 108 Cb -0.13 -0.39 -0.02 0.00 -0.43 0.00 0.00 46.19 45.22 3fbx s LEU 108 CO -0.10 0.05 -0.09 -0.44 -0.29 0.00 0.00 176.35 175.49 3fbx s SER 109 N 0.12 1.01 0.22 3.68 0.01 -0.12 -0.58 113.70 118.04 3fbx s SER 109 Ca -0.01 -0.34 0.10 0.00 1.31 0.00 0.00 55.95 57.00 3fbx s SER 109 Cb -0.06 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 3fbx s SER 109 CO -0.00 -0.03 -0.11 0.42 0.41 0.00 0.00 173.24 173.93 3fbx s THR 110 N -0.73 3.04 -0.32 1.44 -4.23 -0.80 -1.18 115.64 112.86 3fbx s THR 110 Ca -0.02 -1.88 -0.14 0.00 -1.18 0.00 0.00 61.69 58.47 3fbx s THR 110 Cb -0.06 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3fbx s THR 110 CO 0.00 -0.22 0.32 0.21 -0.54 0.00 0.00 174.62 174.40 3fbx s ASN 111 N -3.12 6.15 0.00 3.99 3.84 0.10 -4.56 114.94 121.35 3fbx s ASN 111 Ca 0.27 -0.10 0.20 0.00 0.21 0.00 0.00 52.86 53.44 3fbx s ASN 111 Cb -0.08 -2.18 1.21 0.00 -0.55 0.00 0.00 41.25 39.65 3fbx s ASN 111 CO 0.16 -0.25 1.61 0.61 -2.79 0.00 0.00 177.10 176.44 3fbx n GLY 112 N 4.93 -0.66 0.00 1.21 0.00 -1.26 -2.33 105.19 107.08 3fbx n GLY 112 Ca -0.10 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3fbx n GLY 112 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fbx n ARG 113 N -1.02 0.04 -4.00 1.61 -4.01 -1.26 -4.78 116.66 103.24 3fbx n ARG 113 Ca 0.15 0.01 -0.24 0.00 -1.04 0.00 0.00 57.85 56.73 3fbx n ARG 113 Cb 0.08 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 27.96 3fbx n ARG 113 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 3fbx s TYR 114 N -2.96 3.36 0.76 2.89 2.02 -0.99 -5.11 117.35 117.33 3fbx s TYR 114 Ca 0.15 0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 56.74 3fbx s TYR 114 Cb 0.19 -1.57 0.06 0.00 -0.40 0.00 0.00 41.96 40.24 3fbx s TYR 114 CO 0.52 0.49 1.13 0.54 -1.57 0.00 0.00 175.55 176.66 3fbx s ASN 115 N -3.55 4.28 0.49 2.29 2.20 -1.26 -4.81 114.94 114.58 3fbx s ASN 115 Ca 0.33 2.06 0.28 0.00 -0.94 0.00 0.00 52.86 54.60 3fbx s ASN 115 Cb -0.10 -2.55 1.17 0.00 -2.00 0.00 0.00 41.25 37.77 3fbx s ASN 115 CO 0.27 -2.19 1.92 -2.24 -2.94 0.00 0.00 177.10 171.92 3fbx h ASP 116 N -0.79 0.00 -0.03 3.54 3.04 -1.95 -2.05 116.42 118.19 3fbx h ASP 116 Ca -0.45 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.34 3fbx h ASP 116 Cb 1.26 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.55 3fbx h ASP 116 CO 0.50 0.13 0.01 0.28 -2.04 0.00 0.00 179.24 178.11 3fbx h SER 117 N 0.00 0.04 -0.57 4.15 0.02 -1.98 -0.49 113.55 114.72 3fbx h SER 117 Ca -0.00 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3fbx h SER 117 Cb 0.60 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3fbx h SER 117 CO 0.02 0.25 0.18 0.25 -1.14 0.00 0.00 176.83 176.39 3fbx h LEU 118 N -0.18 0.83 -0.53 5.07 5.85 -1.89 -2.26 115.31 122.21 3fbx h LEU 118 Ca 0.01 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.62 3fbx h LEU 118 Cb 0.23 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 40.96 3fbx h LEU 118 CO 0.00 0.82 0.04 1.56 -0.34 0.00 0.00 178.44 180.52 3fbx h GLN 119 N 0.80 0.15 -0.04 1.25 4.20 -1.30 -0.34 115.11 119.83 3fbx h GLN 119 Ca 0.18 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 3fbx h GLN 119 Cb 0.28 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3fbx h GLN 119 CO -0.01 0.10 0.02 0.00 -0.67 0.00 0.00 178.83 178.28 3fbx h ALA 120 N 1.46 0.06 -0.28 3.87 0.00 -0.88 0.13 119.26 123.62 3fbx h ALA 120 Ca 0.27 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3fbx h ALA 120 Cb 0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3fbx h ALA 120 CO -0.42 -0.39 0.05 -0.92 0.00 0.00 0.00 179.25 177.57 3fbx h TYR 121 N -0.05 0.08 -0.56 0.00 3.20 -1.29 -2.58 116.97 115.77 3fbx h TYR 121 Ca 0.01 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3fbx h TYR 121 Cb 0.12 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3fbx h TYR 121 CO -0.04 0.01 0.24 0.00 -1.64 0.00 0.00 178.16 176.73 3fbx h ALA 122 N 1.21 1.36 -0.64 1.82 0.00 -0.75 -1.65 119.26 120.62 3fbx h ALA 122 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fbx h ALA 122 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3fbx h ALA 122 CO -0.18 0.48 0.32 0.00 0.00 0.00 0.00 179.25 179.88 3fbx h ALA 123 N 1.46 0.82 -0.48 0.00 0.00 -0.40 -0.15 119.26 120.51 3fbx h ALA 123 Ca 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3fbx h ALA 123 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fbx h ALA 123 CO -0.02 0.37 0.13 0.78 0.00 0.00 0.00 179.25 180.51 3fbx h GLY 124 N 0.88 0.82 0.71 0.00 0.00 -1.10 -1.82 103.07 102.56 3fbx h GLY 124 Ca 0.22 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.07 3fbx h GLY 124 CO -0.03 0.47 -0.08 -2.08 0.00 0.00 0.00 176.54 174.82 3fbx h VAL 125 N 0.65 0.77 0.00 4.60 2.07 -0.92 -1.81 116.25 121.61 3fbx h VAL 125 Ca 0.15 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.53 3fbx h VAL 125 Cb 0.31 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3fbx h VAL 125 CO -0.00 0.00 -0.68 -0.37 0.02 0.00 0.00 177.57 176.54 3fbx h VAL 126 N -0.11 1.48 0.34 2.57 -1.51 -1.04 -1.82 116.25 116.16 3fbx h VAL 126 Ca 0.05 -2.34 -0.02 0.00 -1.23 0.00 0.00 66.70 63.17 3fbx h VAL 126 Cb 0.19 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.61 3fbx h VAL 126 CO -0.13 0.67 -0.16 -0.08 -1.23 0.00 0.00 177.57 176.63 3fbx h GLU 127 N 0.00 -0.44 -0.77 5.19 4.81 -1.19 -2.83 114.58 119.35 3fbx h GLU 127 Ca -0.01 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3fbx h GLU 127 Cb 1.21 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 3fbx h GLU 127 CO 0.09 -0.25 0.50 0.00 -0.73 0.00 0.00 179.01 178.62 3fbx h ALA 128 N 0.11 1.76 -0.55 2.92 0.00 -1.29 -2.73 119.26 119.48 3fbx h ALA 128 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fbx h ALA 128 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fbx h ALA 128 CO 0.08 0.09 0.31 1.03 0.00 0.00 0.00 179.25 180.76 3fbx h SER 129 N 0.72 0.66 -0.02 0.00 0.87 -1.09 -1.93 113.55 112.77 3fbx h SER 129 Ca 0.35 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 3fbx h SER 129 Cb 0.40 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3fbx h SER 129 CO -0.13 0.52 -0.41 1.33 -0.53 0.00 0.00 176.83 177.62 3fbx n VAL 130 N -4.41 0.00 -1.43 2.23 0.24 -1.05 -4.43 118.33 109.47 3fbx n VAL 130 Ca 0.05 -0.30 0.06 0.00 -2.04 0.00 0.00 64.34 62.11 3fbx n VAL 130 Cb 0.09 1.27 0.09 0.00 -1.47 0.00 0.00 33.84 33.82 3fbx n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3fbx n SER 131 N 0.11 1.48 -0.18 -1.34 3.41 -1.05 -4.77 113.62 111.28 3fbx n SER 131 Ca 0.09 -2.70 -0.01 0.00 -0.26 0.00 0.00 58.87 55.99 3fbx n SER 131 Cb 0.46 -0.35 0.08 0.00 -0.26 0.00 0.00 64.21 64.14 3fbx n SER 131 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3fbx h GLU 132 N 0.04 0.11 -0.54 4.33 5.08 -1.57 -0.51 114.58 121.52 3fbx h GLU 132 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fbx h GLU 132 Cb 1.16 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3fbx h GLU 132 CO 0.00 0.07 0.33 0.93 -1.00 0.00 0.00 179.01 179.34 3fbx h GLU 133 N 0.11 0.73 -0.57 2.33 3.07 -1.90 -0.63 114.58 117.72 3fbx h GLU 133 Ca 0.29 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 3fbx h GLU 133 Cb 0.45 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 3fbx h GLU 133 CO -0.48 0.52 0.00 -0.07 -1.40 0.00 0.00 179.01 177.58 3fbx h LEU 134 N 0.72 0.99 -0.41 1.33 3.38 -1.75 -1.69 115.31 117.88 3fbx h LEU 134 Ca 0.19 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3fbx h LEU 134 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3fbx h LEU 134 CO -0.04 1.05 0.27 0.40 0.09 0.00 0.00 178.44 180.21 3fbx h ILE 135 N 0.90 1.11 -0.04 1.22 2.04 -0.91 -0.34 117.51 121.50 3fbx h ILE 135 Ca 0.16 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3fbx h ILE 135 Cb 0.55 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3fbx h ILE 135 CO 0.03 0.11 -0.12 0.22 0.00 0.00 0.00 178.15 178.39 3fbx h TYR 136 N 0.55 -0.29 -0.60 1.37 3.20 -0.90 0.19 116.97 120.48 3fbx h TYR 136 Ca 0.15 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3fbx h TYR 136 Cb -0.05 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3fbx h TYR 136 CO -0.04 -0.17 0.14 0.52 -1.64 0.00 0.00 178.16 176.96 3fbx h MET 137 N -0.18 0.97 -0.40 1.82 2.86 -1.19 -1.87 114.93 116.94 3fbx h MET 137 Ca 0.05 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 3fbx h MET 137 Cb 0.25 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3fbx h MET 137 CO -0.14 0.89 0.18 1.25 1.06 0.00 0.00 176.91 180.15 3fbx h HIS 138 N 0.88 0.59 -0.39 -0.22 -0.00 -0.85 0.16 115.15 115.32 3fbx h HIS 138 Ca 0.19 -0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.59 3fbx h HIS 138 Cb 0.37 -0.18 -0.06 0.00 -0.00 0.00 0.00 27.41 27.54 3fbx h HIS 138 CO 0.03 0.50 0.05 2.35 -0.00 0.00 0.00 177.93 180.86 3fbx h TRP 139 N 0.50 0.07 -0.80 5.26 2.91 -0.83 -1.24 115.95 121.83 3fbx h TRP 139 Ca 0.14 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.15 3fbx h TRP 139 Cb 0.14 0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 3fbx h TRP 139 CO -0.01 -0.02 0.37 0.52 -1.03 0.00 0.00 178.44 178.27 3fbx h MET 140 N 0.17 1.16 0.00 2.65 2.86 -1.11 -0.87 114.93 119.79 3fbx h MET 140 Ca 0.19 -0.18 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3fbx h MET 140 Cb 0.24 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3fbx h MET 140 CO -0.27 0.91 -0.45 -0.91 1.06 0.00 0.00 176.91 177.25 3fbx h ASN 141 N 1.14 0.00 0.00 1.22 2.35 -0.57 -3.41 115.58 116.31 3fbx h ASN 141 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3fbx h ASN 141 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3fbx h ASN 141 CO -0.03 0.45 -0.95 0.35 -1.65 0.00 0.00 177.43 175.60 3fbx n THR 142 N -3.66 0.00 -0.37 2.81 -2.24 -0.50 -4.85 114.28 105.46 3fbx n THR 142 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3fbx n THR 142 Cb 0.53 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 3fbx n THR 142 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3fbx n VAL 143 N -2.65 0.00 -0.13 2.28 0.24 -0.46 -4.82 118.33 112.80 3fbx n VAL 143 Ca 0.00 -0.29 0.23 0.00 -2.04 0.00 0.00 64.34 62.24 3fbx n VAL 143 Cb 0.48 1.37 0.65 0.00 -1.47 0.00 0.00 33.84 34.87 3fbx n VAL 143 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3fbx h VAL 144 N 0.37 0.66 -0.02 3.34 3.04 -1.45 -1.44 116.25 120.75 3fbx h VAL 144 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 3fbx h VAL 144 Cb 0.19 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 3fbx h VAL 144 CO 0.00 0.02 -0.21 0.59 -1.01 0.00 0.00 177.57 176.96 3fbx n ASN 145 N -4.37 2.21 -4.61 3.17 3.02 -1.26 -4.75 115.26 108.66 3fbx n ASN 145 Ca 0.15 -1.62 -0.43 0.00 -0.03 0.00 0.00 54.58 52.65 3fbx n ASN 145 Cb 0.75 0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 40.09 3fbx n ASN 145 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3fbx s TYR 146 N -2.24 2.27 -1.46 3.10 5.04 -0.55 -2.91 117.35 120.61 3fbx s TYR 146 Ca 0.25 0.67 -0.09 0.00 -2.44 0.00 0.00 57.07 55.47 3fbx s TYR 146 Cb 0.19 -4.15 0.04 0.00 0.35 0.00 0.00 41.96 38.39 3fbx s TYR 146 CO 0.43 -2.31 0.84 0.00 -1.34 0.00 0.00 175.55 173.17 3fbx n GLY 148 N -1.65 -2.32 0.32 0.00 0.00 -1.15 -4.87 105.19 95.53 3fbx n GLY 148 Ca -0.03 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.59 3fbx n GLY 148 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fbx h PRO 149 N 0.00 0.01 -0.38 1.61 0.13 -1.93 -2.77 132.00 128.67 3fbx h PRO 149 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3fbx h PRO 149 Cb 0.81 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3fbx h PRO 149 CO 0.18 0.01 0.00 1.19 -0.23 0.00 0.00 178.00 179.15 3fbx n PHE 150 N -4.46 1.22 -2.02 1.56 3.01 -1.26 -5.03 117.46 110.48 3fbx n PHE 150 Ca 0.03 -0.78 -0.42 0.00 1.01 0.00 0.00 57.45 57.30 3fbx n PHE 150 Cb 0.34 -0.33 -0.03 0.00 -0.01 0.00 0.00 39.48 39.46 3fbx n PHE 150 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3fbx s GLU 151 N -2.53 4.27 0.09 -1.08 -6.30 -1.05 -4.94 118.70 107.16 3fbx s GLU 151 Ca 0.44 2.27 -0.14 0.00 -2.50 0.00 0.00 54.97 55.05 3fbx s GLU 151 Cb 0.34 -3.14 -0.13 0.00 0.00 0.00 0.00 34.13 31.19 3fbx s GLU 151 CO 0.13 -0.46 1.34 -0.92 0.02 0.00 0.00 175.26 175.37 3fbx h TYR 152 N 5.76 0.96 -1.71 5.30 5.03 -1.95 -3.41 116.97 126.95 3fbx h TYR 152 Ca -0.44 -0.37 -0.66 0.00 2.58 0.00 0.00 58.73 59.83 3fbx h TYR 152 Cb 1.21 -0.17 -0.14 0.00 1.55 0.00 0.00 36.73 39.19 3fbx h TYR 152 CO 0.62 1.18 1.30 -2.00 -1.32 0.00 0.00 178.16 177.94 3fbx s GLU 153 N -3.97 3.70 -0.09 1.82 2.12 -1.26 -4.89 118.70 116.12 3fbx s GLU 153 Ca -0.11 -1.64 0.08 0.00 0.36 0.00 0.00 54.97 53.65 3fbx s GLU 153 Cb 0.08 -5.17 -0.24 0.00 0.26 0.00 0.00 34.13 29.06 3fbx s GLU 153 CO 0.87 -1.99 0.47 1.55 -0.54 0.00 0.00 175.26 175.61 3fbx n VAL 154 N 6.02 1.62 0.00 3.70 3.14 -1.26 -2.24 118.33 129.32 3fbx n VAL 154 Ca 0.32 -0.76 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 3fbx n VAL 154 Cb 0.49 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.11 3fbx n VAL 154 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fbx n GLY 155 N 1.73 0.99 0.22 7.55 0.00 -1.26 -2.53 105.19 111.88 3fbx n GLY 155 Ca -0.24 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 3fbx n GLY 155 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fbx h TYR 156 N 0.00 0.63 -0.99 1.61 3.20 -1.83 -3.12 116.97 116.47 3fbx h TYR 156 Ca 0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3fbx h TYR 156 Cb 0.00 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 3fbx h TYR 156 CO 0.00 0.38 0.65 0.00 -1.64 0.00 0.00 178.16 177.54 3fbx h GLU 158 N 1.34 0.84 -0.68 0.00 4.81 -1.52 -1.50 114.58 117.86 3fbx h GLU 158 Ca 0.36 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.38 3fbx h GLU 158 Cb -0.14 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.08 3fbx h GLU 158 CO -0.08 0.75 0.26 0.87 -0.73 0.00 0.00 179.01 180.09 3fbx h LYS 159 N 0.76 1.03 0.08 1.92 1.57 -1.32 -0.94 116.57 119.66 3fbx h LYS 159 Ca 0.18 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fbx h LYS 159 Cb 0.25 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3fbx h LYS 159 CO -0.01 0.86 -0.04 1.25 -0.57 0.00 0.00 179.45 180.95 3fbx h LEU 160 N 0.98 -0.09 -0.37 2.94 6.46 -0.82 -0.93 115.31 123.49 3fbx h LEU 160 Ca 0.23 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.88 3fbx h LEU 160 Cb 0.23 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3fbx h LEU 160 CO -0.02 0.04 0.19 0.50 -0.62 0.00 0.00 178.44 178.53 3fbx h LYS 161 N -0.21 0.53 -0.83 1.25 3.11 -1.24 -0.21 116.57 118.96 3fbx h LYS 161 Ca -0.01 -0.07 0.03 0.00 -2.81 0.00 0.00 60.65 57.79 3fbx h LYS 161 Cb 0.18 -0.10 -0.05 0.00 -1.00 0.00 0.00 32.23 31.26 3fbx h LYS 161 CO 0.02 0.45 0.53 -0.91 -2.81 0.00 0.00 179.45 176.73 3fbx h ASN 162 N 0.46 0.88 0.04 4.20 2.35 -1.18 -1.12 115.58 121.21 3fbx h ASN 162 Ca 0.13 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3fbx h ASN 162 Cb 0.09 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3fbx h ASN 162 CO -0.02 0.60 -0.02 0.15 -1.65 0.00 0.00 177.43 176.50 3fbx h PHE 163 N 1.03 -0.04 -0.38 1.19 3.57 -0.77 -1.82 116.94 119.72 3fbx h PHE 163 Ca 0.33 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.75 3fbx h PHE 163 Cb 0.02 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3fbx h PHE 163 CO -0.02 0.05 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.97 3fbx h LEU 164 N -0.13 0.71 -0.63 0.59 3.38 -0.95 -0.36 115.31 117.92 3fbx h LEU 164 Ca -0.00 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.64 3fbx h LEU 164 Cb 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3fbx h LEU 164 CO 0.01 0.90 0.40 -0.33 0.09 0.00 0.00 178.44 179.50 3fbx h GLU 165 N 0.52 0.77 -0.68 1.13 5.08 -1.24 0.15 114.58 120.31 3fbx h GLU 165 Ca 0.10 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3fbx h GLU 165 Cb 0.57 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3fbx h GLU 165 CO 0.03 0.51 0.16 0.00 -1.00 0.00 0.00 179.01 178.71 3fbx h ALA 166 N 1.26 0.89 -0.18 3.43 0.00 -1.16 -0.49 119.26 123.01 3fbx h ALA 166 Ca 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fbx h ALA 166 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3fbx h ALA 166 CO -0.09 0.61 -0.01 -0.97 0.00 0.00 0.00 179.25 178.80 3fbx h ASN 167 N 1.01 0.31 -0.93 0.00 -1.24 -0.69 0.37 115.58 114.42 3fbx h ASN 167 Ca 0.21 -0.32 -0.01 0.00 0.71 0.00 0.00 56.30 56.90 3fbx h ASN 167 Cb 0.37 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 3fbx h ASN 167 CO 0.00 0.55 0.55 -0.07 -1.29 0.00 0.00 177.43 177.18 3fbx h LEU 168 N 0.06 1.12 -0.50 0.34 3.38 -0.68 -1.31 115.31 117.73 3fbx h LEU 168 Ca 0.05 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3fbx h LEU 168 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3fbx h LEU 168 CO 0.01 0.87 -0.38 -0.08 0.09 0.00 0.00 178.44 178.95 3fbx h GLU 169 N 1.28 0.82 -0.41 1.13 4.57 -1.01 -1.84 114.58 119.12 3fbx h GLU 169 Ca 0.33 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3fbx h GLU 169 Cb -0.04 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 3fbx h GLU 169 CO -0.06 1.05 0.26 2.35 -1.18 0.00 0.00 179.01 181.44 3fbx h TRP 170 N 0.67 0.50 -0.79 0.92 7.01 -0.53 -1.27 115.95 122.47 3fbx h TRP 170 Ca 0.06 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 3fbx h TRP 170 Cb 0.94 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.80 3fbx h TRP 170 CO 0.05 0.31 0.41 0.52 -2.79 0.00 0.00 178.44 176.94 3fbx h MET 171 N 0.54 1.11 -0.78 2.65 2.86 -1.18 -1.36 114.93 118.78 3fbx h MET 171 Ca 0.15 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3fbx h MET 171 Cb -0.04 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.37 3fbx h MET 171 CO -0.05 0.84 0.49 1.96 1.06 0.00 0.00 176.91 181.22 3fbx h GLN 172 N 1.10 1.05 -0.25 1.72 1.08 -1.03 -1.58 115.11 117.20 3fbx h GLN 172 Ca 0.27 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 3fbx h GLN 172 Cb 0.07 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.26 3fbx h GLN 172 CO -0.04 0.72 0.04 -0.09 -0.95 0.00 0.00 178.83 178.51 3fbx h ARG 173 N 1.07 0.42 -0.99 1.46 9.65 -1.01 -2.24 114.38 122.74 3fbx h ARG 173 Ca 0.28 -0.12 0.06 0.00 -1.10 0.00 0.00 59.98 59.11 3fbx h ARG 173 Cb -0.08 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 28.39 3fbx h ARG 173 CO -0.06 0.55 0.64 0.93 2.80 0.00 0.00 179.97 184.83 3fbx h GLU 174 N 0.23 1.14 -0.40 0.20 4.39 -1.09 -0.07 114.58 118.98 3fbx h GLU 174 Ca 0.08 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3fbx h GLU 174 Cb 0.34 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3fbx h GLU 174 CO 0.01 0.75 0.18 0.52 -1.16 0.00 0.00 179.01 179.30 3fbx h MET 175 N 1.17 0.59 0.00 2.33 2.86 -1.16 -1.70 114.93 119.03 3fbx h MET 175 Ca 0.42 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.88 3fbx h MET 175 Cb 0.14 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3fbx h MET 175 CO -0.16 0.54 -0.37 1.05 1.06 0.00 0.00 176.91 179.02 3fbx h GLU 176 N 0.51 0.00 0.00 1.72 4.11 -1.07 -2.79 114.58 117.06 3fbx h GLU 176 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3fbx h GLU 176 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fbx h GLU 176 CO -0.01 0.37 -0.10 1.28 0.07 0.00 0.00 179.01 180.62 3fbx n LEU 177 N -3.57 0.56 -3.12 3.06 4.77 -0.07 -4.41 117.00 114.23 3fbx n LEU 177 Ca -0.00 0.49 -0.19 0.00 -0.03 0.00 0.00 56.01 56.27 3fbx n LEU 177 Cb 0.50 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3fbx n LEU 177 CO 0.37 -0.10 -0.15 0.59 -1.33 0.00 0.00 177.39 176.77 3fbx n ASN 178 N -2.00 1.58 0.15 -1.43 3.02 -0.65 -4.95 115.26 110.98 3fbx n ASN 178 Ca 0.06 -3.13 0.12 0.00 -0.03 0.00 0.00 54.58 51.59 3fbx n ASN 178 Cb 0.40 -0.60 0.54 0.00 -0.61 0.00 0.00 39.78 39.50 3fbx n ASN 178 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3fbx n PRO 179 N 0.16 0.17 -0.08 3.52 -0.04 -1.20 -2.08 135.00 135.45 3fbx n PRO 179 Ca 0.26 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.35 3fbx n PRO 179 Cb 0.62 -1.91 0.14 0.00 -0.04 0.00 0.00 33.50 32.30 3fbx n PRO 179 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fbx n ASP 180 N -2.25 3.11 -4.65 3.54 8.00 -1.26 -4.74 116.55 118.30 3fbx n ASP 180 Ca 0.01 -1.96 -0.43 0.00 0.71 0.00 0.00 54.79 53.12 3fbx n ASP 180 Cb 0.14 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3fbx n ASP 180 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3fbx s SER 181 N -1.69 6.95 0.21 -2.24 0.15 -0.88 -4.82 113.70 111.38 3fbx s SER 181 Ca 0.31 1.39 -0.09 0.00 0.70 0.00 0.00 55.95 58.26 3fbx s SER 181 Cb 0.20 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 62.22 3fbx s SER 181 CO 0.29 -0.81 1.79 -0.65 1.20 0.00 0.00 173.24 175.07 3fbx h PRO 182 N 8.11 0.59 -0.05 5.44 0.11 -1.90 -1.81 132.00 142.49 3fbx h PRO 182 Ca -0.23 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.87 3fbx h PRO 182 Cb 1.08 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3fbx h PRO 182 CO 1.00 0.39 -0.13 -0.92 -0.21 0.00 0.00 178.00 178.12 3fbx h TYR 183 N 0.61 -0.34 0.00 0.65 3.20 -1.93 -1.27 116.97 117.89 3fbx h TYR 183 Ca 0.30 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 3fbx h TYR 183 Cb 0.23 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3fbx h TYR 183 CO -0.10 -0.20 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.56 3fbx h TRP 184 N -0.20 0.00 -0.13 -3.82 4.06 -1.88 -2.24 115.95 111.74 3fbx h TRP 184 Ca 0.06 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.00 3fbx h TRP 184 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 3fbx h TRP 184 CO -0.22 0.17 0.05 1.25 -3.56 0.00 0.00 178.44 176.13 3fbx h HIS 185 N 0.00 0.21 -0.97 0.49 2.76 -0.97 -1.56 115.15 115.10 3fbx h HIS 185 Ca -0.00 -0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3fbx h HIS 185 Cb 0.84 -0.06 -0.05 0.00 1.55 0.00 0.00 27.41 29.69 3fbx h HIS 185 CO 0.00 0.32 0.64 1.96 -1.30 0.00 0.00 177.93 179.55 3fbx h GLN 186 N 0.04 1.24 -0.35 5.26 1.08 -0.87 -1.44 115.11 120.06 3fbx h GLN 186 Ca 0.04 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3fbx h GLN 186 Cb 0.20 -0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3fbx h GLN 186 CO -0.00 0.82 0.12 0.28 -0.95 0.00 0.00 178.83 179.10 3fbx h VAL 187 N 1.28 1.20 -0.82 -0.54 2.07 -1.40 -2.66 116.25 115.39 3fbx h VAL 187 Ca 0.37 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3fbx h VAL 187 Cb -0.08 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3fbx h VAL 187 CO -0.10 0.22 0.53 -0.09 0.02 0.00 0.00 177.57 178.16 3fbx h ARG 188 N 0.42 1.03 -0.64 1.57 2.43 -1.00 -1.95 114.38 116.24 3fbx h ARG 188 Ca 0.12 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 3fbx h ARG 188 Cb 0.23 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 3fbx h ARG 188 CO -0.01 0.68 0.34 -0.07 -1.51 0.00 0.00 179.97 179.40 3fbx h LEU 189 N 1.06 0.47 -0.49 3.80 3.38 -1.16 0.48 115.31 122.86 3fbx h LEU 189 Ca 0.31 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 3fbx h LEU 189 Cb -0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3fbx h LEU 189 CO -0.09 0.30 0.26 0.74 0.09 0.00 0.00 178.44 179.74 3fbx h THR 190 N 0.61 1.17 -0.02 0.22 2.02 -1.11 -2.01 112.91 113.79 3fbx h THR 190 Ca 0.30 -0.45 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 3fbx h THR 190 Cb 0.23 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3fbx h THR 190 CO -0.21 0.19 -0.75 -0.07 0.37 0.00 0.00 175.52 175.04 3fbx h LEU 191 N 0.64 0.19 -0.88 2.58 3.38 -1.09 -2.43 115.31 117.71 3fbx h LEU 191 Ca 0.17 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fbx h LEU 191 Cb 0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3fbx h LEU 191 CO -0.03 0.87 0.52 -0.07 0.09 0.00 0.00 178.44 179.83 3fbx h LEU 192 N 0.10 1.07 -0.37 1.67 3.38 -0.69 -0.17 115.31 120.30 3fbx h LEU 192 Ca -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fbx h LEU 192 Cb 1.33 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3fbx h LEU 192 CO 0.11 0.83 0.20 -0.61 0.09 0.00 0.00 178.44 179.07 3fbx h GLN 193 N 1.22 0.52 -0.62 1.13 4.15 -1.18 0.21 115.11 120.53 3fbx h GLN 193 Ca 0.31 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.72 3fbx h GLN 193 Cb -0.03 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.51 3fbx h GLN 193 CO -0.06 0.42 0.36 1.25 -1.93 0.00 0.00 178.83 178.87 3fbx h LEU 194 N 0.47 0.54 -0.48 -2.39 5.85 -1.24 -1.26 115.31 116.81 3fbx h LEU 194 Ca 0.13 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3fbx h LEU 194 Cb 0.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3fbx h LEU 194 CO -0.02 0.37 0.04 0.50 -0.34 0.00 0.00 178.44 178.98 3fbx h LYS 195 N 0.68 0.82 -0.45 1.25 3.64 -0.58 -2.38 116.57 119.54 3fbx h LYS 195 Ca 0.27 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3fbx h LYS 195 Cb 0.12 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3fbx h LYS 195 CO -0.15 0.85 0.18 0.78 -2.27 0.00 0.00 179.45 178.84 3fbx h GLY 196 N 0.69 0.61 0.79 5.01 0.00 -0.44 -0.89 103.07 108.83 3fbx h GLY 196 Ca 0.14 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.40 3fbx h GLY 196 CO 0.02 0.04 0.26 -2.00 0.00 0.00 0.00 176.54 174.86 3fbx h LEU 197 N 0.36 0.40 0.01 3.11 5.85 -1.12 0.02 115.31 123.94 3fbx h LEU 197 Ca 0.21 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3fbx h LEU 197 Cb 0.19 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3fbx h LEU 197 CO -0.20 0.28 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.09 3fbx h GLU 198 N 0.52 -0.01 -0.39 1.25 4.81 -1.33 -2.54 114.58 116.89 3fbx h GLU 198 Ca 0.21 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 3fbx h GLU 198 Cb 0.09 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 3fbx h GLU 198 CO -0.13 0.51 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.12 3fbx h ASP 199 N -0.55 -0.37 -0.12 1.04 3.32 -1.12 -1.53 116.42 117.09 3fbx h ASP 199 Ca -0.00 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3fbx h ASP 199 Cb 0.53 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3fbx h ASP 199 CO 0.00 -0.13 0.06 -1.28 -1.72 0.00 0.00 179.24 176.17 3fbx h SER 200 N -0.01 0.10 -0.65 6.45 0.87 -1.04 -1.29 113.55 117.99 3fbx h SER 200 Ca 0.19 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.83 3fbx h SER 200 Cb 0.29 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.19 3fbx h SER 200 CO -0.40 0.08 0.43 0.22 -0.53 0.00 0.00 176.83 176.62 3fbx h TYR 201 N 0.14 0.60 -0.00 2.24 3.20 -1.21 -0.50 116.97 121.43 3fbx h TYR 201 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fbx h TYR 201 Cb 0.00 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.08 3fbx h TYR 201 CO -0.09 0.30 -0.13 0.39 -1.64 0.00 0.00 178.16 177.00 3fbx n GLU 202 N -4.48 0.44 -1.04 1.82 1.02 -0.60 -4.96 120.64 112.84 3fbx n GLU 202 Ca 0.10 -0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.09 3fbx n GLU 202 Cb 0.29 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 3fbx n GLU 202 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fbx n GLY 203 N 1.35 0.50 2.77 0.62 0.00 -0.20 -5.03 105.19 105.20 3fbx n GLY 203 Ca 0.12 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 3fbx n GLY 203 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fbx s ARG 204 N -1.97 0.17 -0.17 1.61 0.52 -0.96 -5.02 118.95 113.13 3fbx s ARG 204 Ca 0.00 0.25 -0.15 0.00 -0.52 0.00 0.00 55.73 55.32 3fbx s ARG 204 Cb 0.00 -1.09 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 3fbx s ARG 204 CO 0.00 -0.61 0.34 -0.51 0.02 0.00 0.00 175.30 174.54 3fbx s LEU 205 N 2.32 4.21 -0.24 2.53 1.43 -1.26 -4.59 118.68 123.08 3fbx s LEU 205 Ca 0.06 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.64 3fbx s LEU 205 Cb -0.15 -2.43 0.10 0.00 0.03 0.00 0.00 46.19 43.74 3fbx s LEU 205 CO -0.11 0.03 0.20 0.28 0.23 0.00 0.00 176.35 176.98 3fbx s THR 206 N 0.79 -0.25 -0.16 5.49 -1.32 -1.26 -4.97 115.64 113.95 3fbx s THR 206 Ca 0.18 -0.38 -0.29 0.00 -1.21 0.00 0.00 61.69 59.98 3fbx s THR 206 Cb -0.14 -0.82 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 3fbx s THR 206 CO 0.06 -0.42 1.28 0.12 -2.21 0.00 0.00 174.62 173.46 3fbx s PHE 207 N 2.26 2.80 -0.05 9.09 5.36 -1.26 -5.02 117.98 131.15 3fbx s PHE 207 Ca 0.07 0.96 -0.23 0.00 -0.96 0.00 0.00 56.93 56.78 3fbx s PHE 207 Cb -0.15 -3.53 -0.04 0.00 -0.34 0.00 0.00 43.02 38.96 3fbx s PHE 207 CO -0.23 -1.82 0.67 -1.25 -1.46 0.00 0.00 175.22 171.13 3fbx s PRO 208 N 3.54 4.42 0.03 10.12 0.04 -1.26 -4.95 135.00 146.94 3fbx s PRO 208 Ca 0.56 0.84 0.22 0.00 0.04 0.00 0.00 61.00 62.66 3fbx s PRO 208 Cb -0.22 -3.43 -0.12 0.00 0.04 0.00 0.00 34.50 30.77 3fbx s PRO 208 CO 0.15 0.13 0.84 0.25 0.04 0.00 0.00 177.00 178.41 3fbx n THR 209 N 3.56 0.14 0.00 1.26 -2.24 -1.26 -4.95 114.28 110.79 3fbx n THR 209 Ca -0.03 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3fbx n THR 209 Cb 0.51 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 3fbx n THR 209 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fbx n GLY 210 N 1.33 3.02 3.80 3.38 0.00 -1.26 -5.13 105.19 110.33 3fbx n GLY 210 Ca 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3fbx n GLY 210 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fbx s ARG 211 N 3.93 3.77 0.06 1.61 1.70 -1.26 -5.07 118.95 123.69 3fbx s ARG 211 Ca 0.00 1.33 -0.08 0.00 -0.47 0.00 0.00 55.73 56.51 3fbx s ARG 211 Cb 0.00 -2.09 -0.00 0.00 -0.57 0.00 0.00 34.95 32.28 3fbx s ARG 211 CO 0.00 -0.45 0.16 -0.59 -1.08 0.00 0.00 175.30 173.34 3fbx s PHE 212 N -2.04 0.15 -0.22 5.89 -0.12 -1.26 -4.98 117.98 115.39 3fbx s PHE 212 Ca 0.67 -0.49 -0.06 0.00 -0.05 0.00 0.00 56.93 57.00 3fbx s PHE 212 Cb -0.16 -0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.13 3fbx s PHE 212 CO 0.21 -0.47 0.01 0.99 -0.05 0.00 0.00 175.22 175.92 3fbx s THR 213 N -3.21 3.91 -0.09 -4.49 2.01 -1.26 -5.00 115.64 107.52 3fbx s THR 213 Ca 0.00 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 3fbx s THR 213 Cb 0.02 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 3fbx s THR 213 CO -0.07 0.39 0.48 -0.63 -0.69 0.00 0.00 174.62 174.10 3fbx s ILE 214 N 1.36 5.13 0.17 1.82 -1.09 -1.26 -5.06 121.20 122.27 3fbx s ILE 214 Ca 0.05 0.96 -0.30 0.00 -2.23 0.00 0.00 60.65 59.13 3fbx s ILE 214 Cb -0.15 -3.81 -0.07 0.00 -1.58 0.00 0.00 42.46 36.85 3fbx s ILE 214 CO 0.01 0.38 1.13 -1.59 -1.23 0.00 0.00 174.94 173.63 3fbx s LYS 215 N 0.27 4.56 0.38 2.79 -2.85 -1.26 -4.95 119.74 118.68 3fbx s LYS 215 Ca 0.26 1.75 0.05 0.00 -1.00 0.00 0.00 55.97 57.03 3fbx s LYS 215 Cb -0.16 -3.28 0.74 0.00 -2.06 0.00 0.00 37.83 33.08 3fbx s LYS 215 CO 0.11 0.01 2.02 -1.35 0.10 0.00 0.00 175.35 176.25 3fbx h PRO 216 N 5.26 0.66 -0.02 1.78 0.11 -1.94 -3.18 132.00 134.67 3fbx h PRO 216 Ca -0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3fbx h PRO 216 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3fbx h PRO 216 CO 0.73 0.46 -0.14 1.28 -0.21 0.00 0.00 178.00 180.12 3fbx n LEU 217 N -4.44 2.58 0.00 2.35 4.77 -1.26 -4.37 117.00 116.64 3fbx n LEU 217 Ca 0.04 -3.34 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 3fbx n LEU 217 Cb 0.07 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3fbx n LEU 217 CO 0.36 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 3fbx n GLY 218 N -1.29 0.98 0.31 -0.72 0.00 -1.20 -4.76 105.19 98.50 3fbx n GLY 218 Ca 0.18 -0.62 0.20 0.00 0.00 0.00 0.00 46.02 45.78 3fbx n GLY 218 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fbx h PHE 219 N 0.00 0.00 -0.94 1.61 -1.00 -1.92 -1.71 116.94 112.98 3fbx h PHE 219 Ca 0.00 0.00 0.22 0.00 2.81 0.00 0.00 57.97 61.00 3fbx h PHE 219 Cb 0.00 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.49 3fbx h PHE 219 CO 0.00 0.00 0.62 1.25 -1.61 0.00 0.00 178.31 178.57 3fbx h LEU 220 N 0.00 0.42 -1.32 1.54 5.85 -1.85 -2.07 115.31 117.89 3fbx h LEU 220 Ca 0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3fbx h LEU 220 Cb 0.18 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3fbx h LEU 220 CO 0.00 0.15 0.22 0.25 -0.34 0.00 0.00 178.44 178.72 3fbx h LEU 221 N 0.41 0.62 -2.19 2.25 5.85 -1.50 0.30 115.31 121.04 3fbx h LEU 221 Ca 0.50 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.16 3fbx h LEU 221 Cb 1.25 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 3fbx h LEU 221 CO -0.20 0.54 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.37 3fbx h LEU 222 N 0.69 0.00 0.00 2.25 3.38 -1.55 -3.20 115.31 116.88 3fbx h LEU 222 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 3fbx h LEU 222 Cb 0.09 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3fbx h LEU 222 CO -0.02 0.00 -1.68 0.00 0.09 0.00 0.00 178.44 176.83 3fbx n GLN 223 N -3.09 0.64 -0.40 1.13 1.13 0.05 -4.50 117.38 112.33 3fbx n GLN 223 Ca -0.01 0.08 0.08 0.00 -1.94 0.00 0.00 57.00 55.21 3fbx n GLN 223 Cb 0.19 -1.69 0.26 0.00 0.11 0.00 0.00 30.24 29.11 3fbx n GLN 223 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3fbx n ILE 224 N -2.70 1.62 -0.30 5.09 -5.35 -0.91 -4.61 119.36 112.19 3fbx n ILE 224 Ca -0.12 -1.30 0.05 0.00 -0.27 0.00 0.00 62.75 61.12 3fbx n ILE 224 Cb 0.81 0.18 0.26 0.00 -1.74 0.00 0.00 39.64 39.15 3fbx n ILE 224 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3fbx h SER 225 N 2.77 0.88 -0.50 7.28 4.64 -1.79 0.38 113.55 127.21 3fbx h SER 225 Ca 0.00 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.24 3fbx h SER 225 Cb 1.17 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 3fbx h SER 225 CO 0.14 0.54 -0.06 1.23 -0.87 0.00 0.00 176.83 177.81 3fbx h GLY 226 N 0.99 0.99 1.58 -0.77 0.00 -1.94 -3.11 103.07 100.81 3fbx h GLY 226 Ca 0.41 -0.78 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3fbx h GLY 226 CO -0.17 0.71 -0.19 -0.55 0.00 0.00 0.00 176.54 176.35 3fbx h ASP 227 N 0.78 0.49 0.33 0.19 3.32 -1.42 -2.92 116.42 117.18 3fbx h ASP 227 Ca 0.13 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3fbx h ASP 227 Cb 0.60 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 3fbx h ASP 227 CO 0.04 0.69 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.08 3fbx h LEU 228 N 0.44 0.00 -1.87 1.55 3.38 -0.26 -1.91 115.31 116.65 3fbx h LEU 228 Ca 0.07 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3fbx h LEU 228 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3fbx h LEU 228 CO 0.04 0.11 0.27 -0.33 0.09 0.00 0.00 178.44 178.61 3fbx h GLU 229 N 0.00 0.15 0.00 1.13 5.08 -1.51 -0.65 114.58 118.78 3fbx h GLU 229 Ca -0.00 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 3fbx h GLU 229 Cb 0.30 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3fbx h GLU 229 CO 0.01 0.10 -2.22 -0.25 -1.00 0.00 0.00 179.01 175.66 3fbx n ASP 230 N -4.46 0.79 -0.07 1.42 8.00 -0.94 -4.38 116.55 116.91 3fbx n ASP 230 Ca 0.05 -0.01 -0.04 0.00 0.71 0.00 0.00 54.79 55.50 3fbx n ASP 230 Cb 0.35 0.82 0.17 0.00 -0.02 0.00 0.00 41.12 42.43 3fbx n ASP 230 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fbx h LEU 231 N 0.00 0.68 0.33 0.64 3.38 -1.22 -1.93 115.31 117.19 3fbx h LEU 231 Ca -0.48 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 3fbx h LEU 231 Cb 2.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3fbx h LEU 231 CO 0.02 0.82 -0.25 -0.33 0.09 0.00 0.00 178.44 178.78 3fbx h GLU 232 N 0.64 -0.54 -0.49 1.13 5.08 -1.32 -1.32 114.58 117.75 3fbx h GLU 232 Ca 0.11 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3fbx h GLU 232 Cb 0.54 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3fbx h GLU 232 CO 0.03 -0.36 0.33 -1.00 -1.00 0.00 0.00 179.01 177.01 3fbx h PRO 233 N -0.56 0.54 0.00 2.33 0.13 -1.76 -1.60 132.00 131.07 3fbx h PRO 233 Ca -0.04 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3fbx h PRO 233 Cb 0.47 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 3fbx h PRO 233 CO 0.01 0.35 -0.16 0.00 -0.23 0.00 0.00 178.00 177.98 3fbx h ALA 234 N 1.72 1.38 -0.52 -0.56 0.00 -1.23 -1.86 119.26 118.19 3fbx h ALA 234 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fbx h ALA 234 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fbx h ALA 234 CO -0.05 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.68 3fbx n LEU 235 N -3.83 4.84 -2.96 0.00 4.77 -0.51 -4.97 117.00 114.34 3fbx n LEU 235 Ca -0.02 -2.73 -0.21 0.00 -0.03 0.00 0.00 56.01 53.02 3fbx n LEU 235 Cb 0.26 -0.59 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3fbx n LEU 235 CO 0.32 0.71 0.08 0.59 -1.33 0.00 0.00 177.39 177.76 3fbx n ASN 236 N 0.54 -5.84 -4.73 -1.43 3.02 -0.70 -4.86 115.26 101.26 3fbx n ASN 236 Ca 0.25 -0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 3fbx n ASN 236 Cb 0.98 -4.60 -0.03 0.00 -0.61 0.00 0.00 39.78 35.52 3fbx n ASN 236 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3fbx s LYS 237 N -5.81 4.36 -0.11 3.52 2.20 -0.66 -4.98 119.74 118.27 3fbx s LYS 237 Ca 0.37 2.04 -0.02 0.00 -0.36 0.00 0.00 55.97 58.00 3fbx s LYS 237 Cb -0.16 -3.23 -0.07 0.00 -1.51 0.00 0.00 37.83 32.86 3fbx s LYS 237 CO 0.45 -0.34 1.51 0.25 -0.36 0.00 0.00 175.35 176.87 3fbx n THR 238 N 3.34 1.03 -4.32 3.43 -2.24 -1.26 -4.65 114.28 109.61 3fbx n THR 238 Ca 0.09 -0.54 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 3fbx n THR 238 Cb 0.43 -1.70 -0.13 0.00 -2.10 0.00 0.00 70.33 66.82 3fbx n THR 238 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fbx s SER 250 N 3.00 1.40 0.01 3.42 0.01 -0.50 -5.09 113.70 115.95 3fbx s SER 250 Ca 0.21 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.08 3fbx s SER 250 Cb 0.09 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 3fbx s SER 250 CO -0.00 0.02 -0.02 0.00 0.41 0.00 0.00 173.24 173.64 3fbx s ALA 251 N -0.75 0.14 -0.03 1.44 0.00 -0.07 -0.29 121.76 122.20 3fbx s ALA 251 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 3fbx s ALA 251 Cb -0.07 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3fbx s ALA 251 CO 0.01 -0.07 0.06 -1.17 0.00 0.00 0.00 175.76 174.59 3fbx s LEU 252 N -0.86 1.03 -0.21 0.00 2.96 -0.60 -0.82 118.68 120.18 3fbx s LEU 252 Ca -0.09 0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 3fbx s LEU 252 Cb -0.06 0.06 -0.00 0.00 0.50 0.00 0.00 46.19 46.68 3fbx s LEU 252 CO -0.00 -0.13 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.20 3fbx s ILE 253 N 1.03 3.16 -0.14 6.68 1.01 -0.10 -0.59 121.20 132.25 3fbx s ILE 253 Ca -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3fbx s ILE 253 Cb -0.12 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 39.95 3fbx s ILE 253 CO -0.04 0.45 -0.14 -0.75 0.00 0.00 0.00 174.94 174.46 3fbx s LYS 254 N 1.40 2.22 -0.36 2.79 2.47 0.29 -0.97 119.74 127.58 3fbx s LYS 254 Ca 0.05 -0.53 -0.27 0.00 -1.56 0.00 0.00 55.97 53.66 3fbx s LYS 254 Cb -0.14 -2.04 0.02 0.00 -1.46 0.00 0.00 37.83 34.21 3fbx s LYS 254 CO -0.04 -0.22 0.97 -1.17 0.16 0.00 0.00 175.35 175.05 3fbx s LEU 255 N 1.45 3.96 0.67 5.43 2.96 -0.20 -0.41 118.68 132.54 3fbx s LEU 255 Ca 0.04 0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 54.48 3fbx s LEU 255 Cb -0.13 -3.34 0.01 0.00 0.50 0.00 0.00 46.19 43.23 3fbx s LEU 255 CO -0.10 -0.88 1.12 -0.76 -1.32 0.00 0.00 176.35 174.41 3fbx s LEU 256 N 3.57 3.36 0.30 -0.68 1.43 -0.48 -4.87 118.68 121.31 3fbx s LEU 256 Ca 0.40 2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 55.26 3fbx s LEU 256 Cb -0.12 -4.55 -0.14 0.00 0.03 0.00 0.00 46.19 41.41 3fbx s LEU 256 CO 0.19 -1.73 1.05 -2.65 0.23 0.00 0.00 176.35 173.43 3fbx n PRO 257 N -2.51 1.45 -1.10 1.29 -0.02 -1.26 -1.17 135.00 131.67 3fbx n PRO 257 Ca 0.11 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 62.06 3fbx n PRO 257 Cb 0.52 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 32.08 3fbx n PRO 257 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fbx n GLY 258 N 1.16 0.55 2.41 -1.23 0.00 -1.26 -2.77 105.19 104.06 3fbx n GLY 258 Ca 0.09 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3fbx n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fbx n GLY 259 N -1.09 -0.11 0.25 -0.02 0.00 -0.32 -4.11 105.19 99.78 3fbx n GLY 259 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.97 3fbx n GLY 259 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3fbx h HIS 260 N 0.00 0.34 -3.40 1.61 3.86 -1.53 0.38 115.15 116.42 3fbx h HIS 260 Ca -0.47 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 58.69 3fbx h HIS 260 Cb 1.35 -0.10 -0.08 0.00 1.06 0.00 0.00 27.41 29.64 3fbx h HIS 260 CO 0.54 0.42 0.01 0.34 0.86 0.00 0.00 177.93 180.10 3fbx s ASP 261 N -6.83 -0.17 -0.18 2.45 -1.08 -1.26 -4.53 116.67 105.06 3fbx s ASP 261 Ca -0.06 -0.74 -0.01 0.00 -0.52 0.00 0.00 52.55 51.22 3fbx s ASP 261 Cb 0.15 0.62 0.05 0.00 -1.46 0.00 0.00 42.92 42.29 3fbx s ASP 261 CO 0.74 -1.18 -0.03 -0.22 0.52 0.00 0.00 175.17 175.01 3fbx s LEU 262 N -2.96 1.62 -0.01 -1.34 2.96 -1.26 -1.39 118.68 116.30 3fbx s LEU 262 Ca 0.16 -0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3fbx s LEU 262 Cb -0.02 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.78 3fbx s LEU 262 CO 0.06 -0.23 0.07 -0.76 -1.32 0.00 0.00 176.35 174.17 3fbx s LEU 263 N 1.67 3.84 -0.09 -0.68 1.43 0.45 -3.38 118.68 121.92 3fbx s LEU 263 Ca -0.01 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3fbx s LEU 263 Cb -0.16 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.89 3fbx s LEU 263 CO -0.07 0.29 -0.01 -0.69 0.23 0.00 0.00 176.35 176.10 3fbx s VAL 264 N -1.15 0.49 0.10 -1.59 1.01 -0.71 -0.54 120.40 118.00 3fbx s VAL 264 Ca 0.21 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.22 3fbx s VAL 264 Cb -0.12 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3fbx s VAL 264 CO 0.12 0.22 -0.14 0.00 0.00 0.00 0.00 175.10 175.30 3fbx s ALA 265 N 1.92 1.32 -0.09 5.51 0.00 0.24 -0.87 121.76 129.80 3fbx s ALA 265 Ca 0.04 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.76 3fbx s ALA 265 Cb -0.13 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3fbx s ALA 265 CO -0.06 0.11 0.23 -1.58 0.00 0.00 0.00 175.76 174.46 3fbx s HIS 266 N -1.82 -0.25 -0.23 0.00 2.46 -0.16 -1.56 115.29 113.72 3fbx s HIS 266 Ca 0.04 0.62 -0.01 0.00 0.47 0.00 0.00 55.06 56.18 3fbx s HIS 266 Cb -0.07 0.09 0.07 0.00 -0.13 0.00 0.00 32.58 32.54 3fbx s HIS 266 CO 0.02 -0.12 0.02 1.21 -2.47 0.00 0.00 174.74 173.40 3fbx s ASN 267 N 0.13 3.48 0.09 9.88 3.04 0.61 -0.75 114.94 131.42 3fbx s ASN 267 Ca -0.00 -1.14 -0.30 0.00 0.04 0.00 0.00 52.86 51.46 3fbx s ASN 267 Cb -0.02 -0.85 -0.05 0.00 -1.54 0.00 0.00 41.25 38.79 3fbx s ASN 267 CO 0.00 -0.31 1.02 0.28 -3.04 0.00 0.00 177.10 175.05 3fbx s THR 268 N 1.65 4.41 -0.19 -5.21 -1.32 -1.23 -1.41 115.64 112.33 3fbx s THR 268 Ca 0.00 1.92 -0.07 0.00 -1.21 0.00 0.00 61.69 62.32 3fbx s THR 268 Cb -0.18 -4.23 -0.04 0.00 -1.51 0.00 0.00 72.50 66.55 3fbx s THR 268 CO -0.11 0.25 0.06 0.26 -2.21 0.00 0.00 174.62 172.88 3fbx s TRP 269 N 0.29 3.25 0.28 9.09 0.52 -1.26 -0.34 118.94 130.77 3fbx s TRP 269 Ca 0.50 0.06 -0.18 0.00 0.02 0.00 0.00 56.10 56.50 3fbx s TRP 269 Cb -0.25 -2.09 0.02 0.00 -1.15 0.00 0.00 33.47 30.00 3fbx s TRP 269 CO 0.30 0.14 0.66 1.21 0.02 0.00 0.00 176.95 179.28 3fbx s ASN 270 N 0.41 -0.16 0.37 2.95 3.84 -0.35 -4.93 114.94 117.07 3fbx s ASN 270 Ca 0.03 -0.76 -0.27 0.00 0.21 0.00 0.00 52.86 52.07 3fbx s ASN 270 Cb -0.12 0.70 -0.10 0.00 -0.55 0.00 0.00 41.25 41.18 3fbx s ASN 270 CO 0.00 -1.33 1.31 -0.44 -2.79 0.00 0.00 177.10 173.85 3fbx s SER 271 N -2.97 6.54 0.54 -4.21 0.01 -1.26 -1.87 113.70 110.49 3fbx s SER 271 Ca 0.15 2.67 0.25 0.00 1.31 0.00 0.00 55.95 60.33 3fbx s SER 271 Cb -0.04 -2.64 1.53 0.00 0.21 0.00 0.00 66.02 65.07 3fbx s SER 271 CO 0.08 -0.69 2.16 1.88 0.41 0.00 0.00 173.24 177.08 3fbx h TYR 272 N 3.02 0.00 0.00 2.43 0.99 -1.40 -1.51 116.97 120.50 3fbx h TYR 272 Ca -0.49 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.24 3fbx h TYR 272 Cb 1.24 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.97 3fbx h TYR 272 CO 0.54 0.05 0.00 0.00 -0.00 0.00 0.00 178.16 178.76 3fbx n GLN 273 N -4.00 0.18 -0.05 4.88 10.64 -1.26 -2.60 117.38 125.16 3fbx n GLN 273 Ca -0.03 0.51 0.11 0.00 -1.83 0.00 0.00 57.00 55.77 3fbx n GLN 273 Cb 0.14 -1.91 0.44 0.00 -0.86 0.00 0.00 30.24 28.04 3fbx n GLN 273 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fbx n ASN 274 N -2.26 1.41 -1.78 2.61 4.13 -0.57 -4.60 115.26 114.20 3fbx n ASN 274 Ca 0.01 -1.62 -0.09 0.00 1.68 0.00 0.00 54.58 54.56 3fbx n ASN 274 Cb 0.15 -0.07 -0.04 0.00 -1.54 0.00 0.00 39.78 38.28 3fbx n ASN 274 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3fbx n MET 275 N 0.14 1.52 -3.53 3.52 2.81 -1.07 -4.65 117.12 115.86 3fbx n MET 275 Ca 0.17 -0.76 -0.40 0.00 -1.81 0.00 0.00 57.70 54.90 3fbx n MET 275 Cb 0.30 -1.46 -0.10 0.00 -0.71 0.00 0.00 33.22 31.25 3fbx n MET 275 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fbx s LEU 276 N -0.56 4.44 -0.05 4.03 1.43 -1.26 -4.91 118.68 121.81 3fbx s LEU 276 Ca 0.27 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 3fbx s LEU 276 Cb 0.16 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3fbx s LEU 276 CO -0.02 -0.22 -0.24 -0.13 0.23 0.00 0.00 176.35 175.98 3fbx s ARG 277 N 1.76 2.34 -0.07 1.70 1.81 -1.26 -4.14 118.95 121.08 3fbx s ARG 277 Ca 0.07 -0.85 0.01 0.00 -1.72 0.00 0.00 55.73 53.24 3fbx s ARG 277 Cb -0.17 -2.02 0.02 0.00 -0.45 0.00 0.00 34.95 32.33 3fbx s ARG 277 CO 0.11 0.38 -0.09 0.42 -0.68 0.00 0.00 175.30 175.44 3fbx s ILE 278 N -0.18 0.93 -0.13 1.52 1.01 -0.82 -0.78 121.20 122.75 3fbx s ILE 278 Ca -0.02 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.09 3fbx s ILE 278 Cb -0.13 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 3fbx s ILE 278 CO 0.03 0.32 0.69 -0.63 0.00 0.00 0.00 174.94 175.35 3fbx s ILE 279 N 1.05 5.02 -0.08 2.92 1.01 -0.27 -0.22 121.20 130.63 3fbx s ILE 279 Ca -0.08 1.37 0.04 0.00 0.00 0.00 0.00 60.65 61.98 3fbx s ILE 279 Cb -0.14 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 3fbx s ILE 279 CO -0.01 0.17 -0.19 -0.54 0.00 0.00 0.00 174.94 174.37 3fbx s LYS 280 N 1.40 2.78 -0.18 2.79 1.02 -0.17 -0.85 119.74 126.54 3fbx s LYS 280 Ca 0.34 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.54 3fbx s LYS 280 Cb -0.17 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 3fbx s LYS 280 CO 0.14 0.38 -0.18 0.21 -0.92 0.00 0.00 175.35 174.98 3fbx s LYS 281 N -0.14 2.76 -0.12 1.68 2.20 0.15 -1.29 119.74 124.98 3fbx s LYS 281 Ca -0.03 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 3fbx s LYS 281 Cb -0.14 -2.46 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 3fbx s LYS 281 CO 0.04 -0.24 -0.05 0.71 -0.36 0.00 0.00 175.35 175.45 3fbx s TYR 282 N 1.34 2.99 -0.38 4.03 4.12 -0.15 -0.88 117.35 128.42 3fbx s TYR 282 Ca 0.04 -0.18 0.03 0.00 0.02 0.00 0.00 57.07 56.98 3fbx s TYR 282 Cb -0.13 -1.86 0.11 0.00 -1.52 0.00 0.00 41.96 38.56 3fbx s TYR 282 CO -0.12 0.11 0.12 1.03 0.02 0.00 0.00 175.55 176.71 3fbx s ARG 283 N -0.12 1.36 0.48 -0.62 0.52 0.26 -2.16 118.95 118.67 3fbx s ARG 283 Ca 0.02 -1.84 0.08 0.00 -0.52 0.00 0.00 55.73 53.47 3fbx s ARG 283 Cb -0.13 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.54 3fbx s ARG 283 CO 0.03 -1.01 0.57 -0.51 0.02 0.00 0.00 175.30 174.40 3fbx s LEU 284 N 0.79 3.35 -0.31 2.53 1.43 0.09 -1.91 118.68 124.65 3fbx s LEU 284 Ca 0.13 -0.70 0.16 0.00 -1.03 0.00 0.00 54.13 52.69 3fbx s LEU 284 Cb -0.21 -2.09 0.47 0.00 0.03 0.00 0.00 46.19 44.40 3fbx s LEU 284 CO -0.10 -0.94 1.07 0.00 0.23 0.00 0.00 176.35 176.61 3fbx n GLN 285 N -1.89 2.06 -2.50 1.70 1.13 -1.26 -4.76 117.38 111.86 3fbx n GLN 285 Ca 0.08 -3.67 -0.34 0.00 -1.94 0.00 0.00 57.00 51.14 3fbx n GLN 285 Cb 0.61 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 29.25 3fbx n GLN 285 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3fbx s PHE 286 N -3.49 3.02 0.28 1.08 2.99 -1.26 -4.77 117.98 115.83 3fbx s PHE 286 Ca 0.34 1.57 0.08 0.00 0.00 0.00 0.00 56.93 58.92 3fbx s PHE 286 Cb 0.39 -3.04 -0.04 0.00 0.00 0.00 0.00 43.02 40.33 3fbx s PHE 286 CO -0.02 -0.81 0.12 1.03 -0.00 0.00 0.00 175.22 175.53 3fbx s ARG 287 N -3.35 2.54 0.27 0.44 0.52 -1.26 -1.25 118.95 116.86 3fbx s ARG 287 Ca 0.66 -1.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.58 3fbx s ARG 287 Cb -0.16 -2.32 0.36 0.00 0.52 0.00 0.00 34.95 33.36 3fbx s ARG 287 CO 0.22 0.30 1.66 0.93 0.02 0.00 0.00 175.30 178.43 3fbx h GLU 288 N 1.64 0.38 -4.95 3.54 5.08 -1.40 -3.43 114.58 115.44 3fbx h GLU 288 Ca -0.45 -0.18 -0.43 0.00 -1.00 0.00 0.00 59.36 57.29 3fbx h GLU 288 Cb 1.25 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.36 3fbx h GLU 288 CO 0.61 0.72 -0.57 0.20 -1.00 0.00 0.00 179.01 178.97 3fbx s GLY 289 N -4.13 2.08 0.00 -3.84 0.00 -1.26 -4.55 107.32 95.62 3fbx s GLY 289 Ca -0.06 -1.74 0.14 0.00 0.00 0.00 0.00 44.72 43.07 3fbx s GLY 289 CO 0.79 -1.66 1.33 -1.55 0.00 0.00 0.00 173.10 172.02 3fbx n PRO 290 N -0.62 0.33 -4.31 2.90 -0.04 -1.26 -4.70 135.00 127.30 3fbx n PRO 290 Ca -0.01 0.08 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 3fbx n PRO 290 Cb 0.65 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.51 3fbx n PRO 290 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3fbx s GLN 291 N -2.29 2.03 0.40 0.54 1.11 -1.26 -5.02 119.66 115.18 3fbx s GLN 291 Ca 0.18 -1.06 0.28 0.00 0.01 0.00 0.00 55.36 54.77 3fbx s GLN 291 Cb 0.10 -2.24 1.44 0.00 -1.01 0.00 0.00 33.01 31.30 3fbx s GLN 291 CO 0.19 0.51 1.85 1.49 0.01 0.00 0.00 175.29 179.34 3fbx h GLU 292 N 3.79 0.00 0.00 2.91 4.57 -2.02 -2.07 114.58 121.76 3fbx h GLU 292 Ca -0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3fbx h GLU 292 Cb 1.17 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3fbx h GLU 292 CO 0.50 0.00 0.00 0.93 -1.18 0.00 0.00 179.01 179.26 3fbx h GLU 293 N 0.00 0.00 -6.99 1.92 3.07 -1.95 -3.45 114.58 107.19 3fbx h GLU 293 Ca 0.00 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.35 3fbx h GLU 293 Cb 0.09 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.07 3fbx h GLU 293 CO 0.00 0.00 0.52 0.71 -1.40 0.00 0.00 179.01 178.84 3fbx s TYR 294 N -3.20 2.85 0.71 4.33 1.51 -0.78 -5.02 117.35 117.75 3fbx s TYR 294 Ca 0.08 1.51 -0.15 0.00 -1.01 0.00 0.00 57.07 57.50 3fbx s TYR 294 Cb 0.11 -3.46 0.03 0.00 -0.11 0.00 0.00 41.96 38.53 3fbx s TYR 294 CO 0.53 -1.67 1.16 -2.14 -1.11 0.00 0.00 175.55 172.31 3fbx s PRO 295 N -2.57 2.37 0.33 -1.71 0.02 -1.26 -4.69 135.00 127.49 3fbx s PRO 295 Ca 0.62 1.57 -0.29 0.00 0.02 0.00 0.00 61.00 62.93 3fbx s PRO 295 Cb -0.31 -1.88 -0.12 0.00 0.02 0.00 0.00 34.50 32.20 3fbx s PRO 295 CO 0.39 -1.61 1.39 1.28 -0.33 0.00 0.00 177.00 178.11 3fbx n LEU 296 N -2.68 3.89 -4.68 -5.54 4.77 -1.26 -1.12 117.00 110.38 3fbx n LEU 296 Ca 0.12 1.20 -0.35 0.00 -0.03 0.00 0.00 56.01 56.95 3fbx n LEU 296 Cb 0.51 -1.52 0.11 0.00 -2.33 0.00 0.00 43.42 40.18 3fbx n LEU 296 CO 0.48 -0.25 0.75 1.33 -1.33 0.00 0.00 177.39 178.36 3fbx n VAL 297 N 0.75 2.90 0.21 4.08 0.24 -0.38 -4.74 118.33 121.39 3fbx n VAL 297 Ca 0.05 -0.31 0.07 0.00 -2.04 0.00 0.00 64.34 62.11 3fbx n VAL 297 Cb 0.36 -1.25 0.47 0.00 -1.47 0.00 0.00 33.84 31.95 3fbx n VAL 297 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fbx h ALA 298 N -0.43 1.20 -1.33 2.33 0.00 -1.74 -3.32 119.26 115.96 3fbx h ALA 298 Ca -0.48 -0.26 -0.65 0.00 0.00 0.00 0.00 54.91 53.52 3fbx h ALA 298 Cb 1.32 -0.05 -0.37 0.00 0.00 0.00 0.00 17.79 18.69 3fbx h ALA 298 CO 0.48 0.36 -0.09 0.41 0.00 0.00 0.00 179.25 180.41 3fbx n GLY 299 N -0.26 5.84 0.15 0.00 0.00 -0.25 -3.52 105.19 107.15 3fbx n GLY 299 Ca -0.01 -2.67 0.03 0.00 0.00 0.00 0.00 46.02 43.37 3fbx n GLY 299 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fbx h ASN 300 N 2.73 0.00 -3.29 1.61 2.35 -1.83 -3.42 115.58 113.72 3fbx h ASN 300 Ca 0.40 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.52 3fbx h ASN 300 Cb 0.60 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.78 3fbx h ASN 300 CO 1.06 0.50 -0.62 0.20 -1.65 0.00 0.00 177.43 176.93 3fbx s ASN 301 N -6.49 5.18 -0.09 5.81 0.01 -1.26 -0.73 114.94 117.37 3fbx s ASN 301 Ca 0.02 -0.03 -0.25 0.00 -0.71 0.00 0.00 52.86 51.89 3fbx s ASN 301 Cb 0.10 -1.86 0.06 0.00 0.41 0.00 0.00 41.25 39.95 3fbx s ASN 301 CO 0.73 0.18 0.58 -1.48 -1.51 0.00 0.00 177.10 175.59 3fbx s LEU 302 N 0.34 -0.23 -0.04 0.60 2.34 -0.92 -0.09 118.68 120.69 3fbx s LEU 302 Ca -0.01 0.71 0.05 0.00 0.06 0.00 0.00 54.13 54.94 3fbx s LEU 302 Cb -0.13 2.14 -0.01 0.00 -0.56 0.00 0.00 46.19 47.63 3fbx s LEU 302 CO 0.02 -0.47 -0.17 -0.69 -1.06 0.00 0.00 176.35 173.98 3fbx s VAL 303 N -0.81 1.43 -0.01 1.48 1.01 -0.55 -0.98 120.40 121.96 3fbx s VAL 303 Ca -0.09 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 3fbx s VAL 303 Cb -0.02 -1.22 0.06 0.00 0.00 0.00 0.00 36.38 35.19 3fbx s VAL 303 CO 0.06 0.41 0.56 0.72 0.00 0.00 0.00 175.10 176.85 3fbx s PHE 304 N -0.05 -0.49 0.19 5.22 -0.12 -0.41 -0.50 117.98 121.82 3fbx s PHE 304 Ca -0.02 0.76 -0.30 0.00 -0.05 0.00 0.00 56.93 57.32 3fbx s PHE 304 Cb -0.11 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.53 3fbx s PHE 304 CO 0.02 -0.57 0.95 -1.54 -0.05 0.00 0.00 175.22 174.03 3fbx s SER 305 N -1.44 7.58 0.00 1.98 1.04 -1.16 -1.00 113.70 120.70 3fbx s SER 305 Ca -0.10 1.90 0.00 0.00 0.48 0.00 0.00 55.95 58.23 3fbx s SER 305 Cb -0.01 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.50 3fbx s SER 305 CO 0.05 0.06 0.00 -0.24 0.98 0.00 0.00 173.24 174.09 3fbx n SER 306 N 2.00 0.00 -3.83 7.02 2.88 0.69 -4.33 113.62 118.05 3fbx n SER 306 Ca -0.00 -0.11 -0.09 0.00 -1.33 0.00 0.00 58.87 57.34 3fbx n SER 306 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 3fbx n SER 306 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3fbx s TYR 307 N -2.98 0.11 0.27 0.66 1.51 -1.26 -1.94 117.35 113.72 3fbx s TYR 307 Ca 0.00 -0.52 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 3fbx s TYR 307 Cb 0.00 -0.02 -0.11 0.00 -0.11 0.00 0.00 41.96 41.72 3fbx s TYR 307 CO 0.00 -0.56 1.62 -2.14 -1.11 0.00 0.00 175.55 173.36 3fbx s PRO 308 N -3.84 4.12 0.00 -1.71 0.02 -1.26 -2.61 135.00 129.73 3fbx s PRO 308 Ca 0.05 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3fbx s PRO 308 Cb 0.04 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3fbx s PRO 308 CO -0.11 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3fbx n GLY 309 N 2.58 0.67 3.37 0.52 0.00 -1.26 -4.82 105.19 106.25 3fbx n GLY 309 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3fbx n GLY 309 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fbx s THR 310 N -2.82 4.13 -0.38 2.61 2.01 -1.07 -4.81 115.64 115.31 3fbx s THR 310 Ca 0.00 -0.62 0.06 0.00 0.31 0.00 0.00 61.69 61.44 3fbx s THR 310 Cb 0.00 -3.12 0.50 0.00 0.01 0.00 0.00 72.50 69.89 3fbx s THR 310 CO 0.00 0.08 1.51 2.30 -0.69 0.00 0.00 174.62 177.82 3fbx n ILE 311 N 4.90 2.24 -3.89 1.82 -5.35 -1.26 -4.58 119.36 113.24 3fbx n ILE 311 Ca -0.14 -1.16 -0.11 0.00 -0.27 0.00 0.00 62.75 61.07 3fbx n ILE 311 Cb 0.48 -0.52 -0.01 0.00 -1.74 0.00 0.00 39.64 37.86 3fbx n ILE 311 CO 0.00 0.00 0.00 2.22 -1.76 0.00 0.00 176.55 177.01 3fbx n PHE 312 N -0.18 -1.68 0.16 4.28 -1.74 -1.26 -5.06 117.46 111.98 3fbx n PHE 312 Ca 0.32 -1.94 -0.07 0.00 -0.56 0.00 0.00 57.45 55.20 3fbx n PHE 312 Cb 1.13 0.62 -0.03 0.00 1.52 0.00 0.00 39.48 42.72 3fbx n PHE 312 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3fbx h SER 313 N 1.77 -0.38 0.00 5.98 0.87 -1.88 -3.43 113.55 116.49 3fbx h SER 313 Ca -0.26 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3fbx h SER 313 Cb 1.08 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3fbx h SER 313 CO 0.35 -0.12 0.00 0.61 -0.53 0.00 0.00 176.83 177.14 3fbx n GLY 314 N 0.15 2.94 0.25 5.77 0.00 -1.26 -4.39 105.19 108.64 3fbx n GLY 314 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 3fbx n GLY 314 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fbx h ASP 315 N 0.00 -0.46 -3.19 1.61 3.32 -1.92 -3.49 116.42 112.28 3fbx h ASP 315 Ca 0.00 -0.12 -0.65 0.00 0.02 0.00 0.00 57.03 56.28 3fbx h ASP 315 Cb 0.00 0.12 -0.10 0.00 0.22 0.00 0.00 39.33 39.57 3fbx h ASP 315 CO 0.00 -0.09 -0.60 -1.81 -1.72 0.00 0.00 179.24 175.02 3fbx s ASP 316 N -4.93 5.49 -0.21 6.45 1.11 -1.26 -4.82 116.67 118.51 3fbx s ASP 316 Ca -0.14 0.06 -0.05 0.00 0.18 0.00 0.00 52.55 52.59 3fbx s ASP 316 Cb 0.02 -1.51 0.11 0.00 1.07 0.00 0.00 42.92 42.61 3fbx s ASP 316 CO 0.50 0.24 0.40 0.12 1.18 0.00 0.00 175.17 177.61 3fbx s PHE 317 N -1.24 -0.81 0.01 4.23 5.36 -1.26 -2.82 117.98 121.45 3fbx s PHE 317 Ca 0.24 1.28 0.04 0.00 -0.96 0.00 0.00 56.93 57.54 3fbx s PHE 317 Cb -0.12 0.20 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 3fbx s PHE 317 CO 0.16 -0.57 -0.13 0.71 -1.46 0.00 0.00 175.22 173.93 3fbx s TYR 318 N 2.59 1.16 -0.22 10.12 1.51 -0.33 -2.99 117.35 129.19 3fbx s TYR 318 Ca 0.04 -0.26 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 3fbx s TYR 318 Cb -0.13 -0.72 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 3fbx s TYR 318 CO -0.14 -0.00 -0.08 0.42 -1.11 0.00 0.00 175.55 174.64 3fbx s ILE 319 N -0.50 2.99 -0.03 2.71 1.01 0.34 -1.87 121.20 125.85 3fbx s ILE 319 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 3fbx s ILE 319 Cb -0.06 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 3fbx s ILE 319 CO 0.00 0.40 0.06 -0.76 0.00 0.00 0.00 174.94 174.64 3fbx s LEU 320 N 1.41 3.85 0.00 2.97 1.43 0.15 -1.48 118.68 127.01 3fbx s LEU 320 Ca 0.04 0.16 0.14 0.00 -1.03 0.00 0.00 54.13 53.45 3fbx s LEU 320 Cb -0.14 -2.14 0.65 0.00 0.03 0.00 0.00 46.19 44.59 3fbx s LEU 320 CO -0.06 0.31 1.42 0.61 0.23 0.00 0.00 176.35 178.86 3fbx n GLY 321 N 1.47 -0.87 0.16 -3.19 0.00 0.88 -1.89 105.19 101.74 3fbx n GLY 321 Ca -0.15 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3fbx n GLY 321 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fbx n SER 322 N -1.40 0.47 0.00 1.61 3.41 -1.23 -4.89 113.62 111.59 3fbx n SER 322 Ca 0.05 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 3fbx n SER 322 Cb 0.14 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3fbx n SER 322 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbx n GLY 323 N 0.82 0.73 3.90 5.00 0.00 -0.79 -4.90 105.19 109.95 3fbx n GLY 323 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3fbx n GLY 323 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fbx s LEU 324 N 0.00 4.36 -0.16 0.99 1.43 -1.23 -0.88 118.68 123.19 3fbx s LEU 324 Ca 0.00 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 3fbx s LEU 324 Cb 0.00 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 3fbx s LEU 324 CO 0.00 0.28 -0.12 -0.69 0.23 0.00 0.00 176.35 176.05 3fbx s VAL 325 N -1.29 3.03 -0.08 -1.59 1.01 0.16 -0.67 120.40 120.97 3fbx s VAL 325 Ca 0.26 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3fbx s VAL 325 Cb -0.13 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3fbx s VAL 325 CO 0.17 0.50 -0.21 0.42 0.00 0.00 0.00 175.10 175.98 3fbx s THR 326 N 0.70 2.35 0.09 3.92 -4.23 -0.78 -0.70 115.64 116.99 3fbx s THR 326 Ca -0.06 -0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 59.35 3fbx s THR 326 Cb -0.15 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.82 3fbx s THR 326 CO 0.02 0.56 0.37 -1.48 -0.54 0.00 0.00 174.62 173.55 3fbx s LEU 327 N -0.02 0.56 0.06 4.79 2.34 -0.83 -1.19 118.68 124.40 3fbx s LEU 327 Ca -0.07 -0.25 -0.04 0.00 0.06 0.00 0.00 54.13 53.83 3fbx s LEU 327 Cb -0.15 1.67 -0.02 0.00 -0.56 0.00 0.00 46.19 47.13 3fbx s LEU 327 CO 0.05 -0.76 0.07 -1.83 -1.06 0.00 0.00 176.35 172.82 3fbx s GLU 328 N -3.30 0.70 0.08 1.48 4.04 -1.13 -0.28 118.70 120.28 3fbx s GLU 328 Ca -0.00 -1.07 0.08 0.00 0.04 0.00 0.00 54.97 54.03 3fbx s GLU 328 Cb 0.01 0.26 -0.03 0.00 0.02 0.00 0.00 34.13 34.39 3fbx s GLU 328 CO -0.08 -0.17 -0.23 0.95 -1.84 0.00 0.00 175.26 173.89 3fbx s THR 329 N -3.75 1.84 0.08 1.83 -4.23 -0.81 -4.05 115.64 106.56 3fbx s THR 329 Ca 0.05 -1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 58.83 3fbx s THR 329 Cb 0.06 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 3fbx s THR 329 CO -0.10 0.12 1.08 -0.89 -0.54 0.00 0.00 174.62 174.30 3fbx s THR 330 N -0.96 4.29 -0.17 3.99 2.01 -1.26 -0.93 115.64 122.61 3fbx s THR 330 Ca 0.09 1.75 0.16 0.00 0.31 0.00 0.00 61.69 64.00 3fbx s THR 330 Cb -0.10 -4.12 -0.23 0.00 0.01 0.00 0.00 72.50 68.07 3fbx s THR 330 CO 0.03 0.20 0.09 2.30 -0.69 0.00 0.00 174.62 176.55 3fbx n ILE 331 N 3.36 1.14 -4.79 1.82 -5.35 0.55 -4.17 119.36 111.93 3fbx n ILE 331 Ca 0.06 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 3fbx n ILE 331 Cb 0.48 -0.47 0.00 0.00 -1.74 0.00 0.00 39.64 37.91 3fbx n ILE 331 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fbx n GLY 332 N 1.84 -0.31 3.18 3.28 0.00 -0.47 -4.90 105.19 107.81 3fbx n GLY 332 Ca -0.27 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 3fbx n GLY 332 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fbx s ASN 333 N -4.00 -0.40 0.00 1.61 3.04 -1.26 -4.86 114.94 109.08 3fbx s ASN 333 Ca 0.00 0.72 0.08 0.00 0.04 0.00 0.00 52.86 53.70 3fbx s ASN 333 Cb 0.00 0.61 0.20 0.00 -1.54 0.00 0.00 41.25 40.52 3fbx s ASN 333 CO 0.00 -0.17 1.13 0.29 -3.04 0.00 0.00 177.10 175.30 3fbx n LYS 334 N 4.13 2.50 -3.47 0.43 5.02 0.14 -4.93 118.16 121.99 3fbx n LYS 334 Ca -0.23 -1.77 -0.43 0.00 -2.02 0.00 0.00 58.31 53.85 3fbx n LYS 334 Cb 0.54 -1.19 -0.08 0.00 -0.02 0.00 0.00 35.03 34.28 3fbx n LYS 334 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fbx s ASN 335 N -0.95 5.94 0.41 4.39 3.84 -1.05 -4.72 114.94 122.81 3fbx s ASN 335 Ca 0.16 -1.46 0.29 0.00 0.21 0.00 0.00 52.86 52.06 3fbx s ASN 335 Cb 0.09 -2.11 1.29 0.00 -0.55 0.00 0.00 41.25 39.97 3fbx s ASN 335 CO 0.11 -0.63 1.87 -0.65 -2.79 0.00 0.00 177.10 175.02 3fbx h PRO 336 N 8.62 0.00 0.00 0.43 0.11 -1.94 -1.58 132.00 137.65 3fbx h PRO 336 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3fbx h PRO 336 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fbx h PRO 336 CO 0.85 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.64 3fbx n ALA 337 N -1.92 1.81 0.94 -0.75 0.00 -1.26 -2.89 120.51 116.45 3fbx n ALA 337 Ca 0.01 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3fbx n ALA 337 Cb 0.22 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.44 3fbx n ALA 337 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3fbx n LEU 338 N -1.47 0.74 0.30 0.00 4.77 -0.59 -4.33 117.00 116.41 3fbx n LEU 338 Ca 0.05 -0.23 0.18 0.00 -0.03 0.00 0.00 56.01 55.97 3fbx n LEU 338 Cb 0.19 -0.12 0.94 0.00 -2.33 0.00 0.00 43.42 42.11 3fbx n LEU 338 CO 0.16 0.17 1.09 -0.50 -1.33 0.00 0.00 177.39 176.97 3fbx h TRP 339 N 0.00 0.00 0.00 -1.77 -0.00 -1.68 -2.19 115.95 110.31 3fbx h TRP 339 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 3fbx h TRP 339 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.69 3fbx h TRP 339 CO 0.00 0.04 0.00 1.57 -0.00 0.00 0.00 178.44 180.05 3fbx h LYS 340 N 0.00 0.00 -0.00 0.49 2.10 -1.81 -0.70 116.57 116.65 3fbx h LYS 340 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fbx h LYS 340 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3fbx h LYS 340 CO 0.00 0.00 -0.07 0.66 -2.00 0.00 0.00 179.45 178.05 3fbx n TYR 341 N -2.46 0.00 -3.00 0.07 0.53 -0.82 -4.63 117.16 106.85 3fbx n TYR 341 Ca 0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.90 56.45 3fbx n TYR 341 Cb 0.15 -0.28 -0.05 0.00 -1.03 0.00 0.00 39.34 38.13 3fbx n TYR 341 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3fbx s VAL 342 N -2.64 4.62 0.09 -0.72 1.01 -0.27 -4.72 120.40 117.78 3fbx s VAL 342 Ca 0.25 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3fbx s VAL 342 Cb 0.20 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3fbx s VAL 342 CO 0.49 -1.01 -0.17 -1.10 0.00 0.00 0.00 175.10 173.31 3fbx s GLN 343 N 3.30 0.98 0.49 2.72 -1.52 -1.26 -5.05 119.66 119.31 3fbx s GLN 343 Ca 0.22 -1.09 0.28 0.00 -1.95 0.00 0.00 55.36 52.82 3fbx s GLN 343 Cb -0.17 -1.06 1.00 0.00 -0.22 0.00 0.00 33.01 32.57 3fbx s GLN 343 CO 0.14 0.23 1.85 -1.00 -0.25 0.00 0.00 175.29 176.27 3fbx h PRO 344 N 4.05 0.00 -5.43 2.91 0.13 -1.93 -3.39 132.00 128.34 3fbx h PRO 344 Ca -0.43 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.05 3fbx h PRO 344 Cb 1.19 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.06 3fbx h PRO 344 CO 0.42 0.09 -0.76 -0.65 -0.23 0.00 0.00 178.00 176.87 3fbx s GLN 345 N -3.56 3.31 0.00 0.86 1.11 -1.26 -3.97 119.66 116.15 3fbx s GLN 345 Ca 0.02 -0.67 0.00 0.00 0.01 0.00 0.00 55.36 54.72 3fbx s GLN 345 Cb 0.09 -2.63 0.00 0.00 -1.01 0.00 0.00 33.01 29.46 3fbx s GLN 345 CO 0.60 0.27 0.00 0.41 0.01 0.00 0.00 175.29 176.58 3fbx n GLY 346 N 3.38 0.87 2.88 3.09 0.00 -1.26 -5.06 105.19 109.08 3fbx n GLY 346 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3fbx n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fbx s VAL 348 N 1.03 4.00 0.60 0.00 1.01 0.10 -4.94 120.40 122.22 3fbx s VAL 348 Ca -0.09 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 3fbx s VAL 348 Cb -0.14 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3fbx s VAL 348 CO -0.01 0.52 1.33 -0.76 0.00 0.00 0.00 175.10 176.18 3fbx s LEU 349 N 0.04 3.69 0.28 3.92 1.43 -1.26 -3.97 118.68 122.81 3fbx s LEU 349 Ca 0.01 2.71 -0.00 0.00 -1.03 0.00 0.00 54.13 55.81 3fbx s LEU 349 Cb -0.13 -4.46 0.50 0.00 0.03 0.00 0.00 46.19 42.13 3fbx s LEU 349 CO 0.02 -1.84 1.85 -0.08 0.23 0.00 0.00 176.35 176.54 3fbx h GLU 350 N 0.94 1.03 -0.91 1.70 4.22 -1.94 -2.09 114.58 117.52 3fbx h GLU 350 Ca -0.51 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 58.88 3fbx h GLU 350 Cb 1.32 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3fbx h GLU 350 CO 0.55 0.68 0.60 0.11 -2.18 0.00 0.00 179.01 178.77 3fbx h TRP 351 N 1.06 1.14 -0.14 0.92 5.08 -1.90 0.20 115.95 122.30 3fbx h TRP 351 Ca 0.48 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 60.41 3fbx h TRP 351 Cb 0.38 -0.39 -0.00 0.00 -3.00 0.00 0.00 29.16 26.15 3fbx h TRP 351 CO -0.00 0.72 -0.16 0.82 -1.28 0.00 0.00 178.44 178.53 3fbx h ILE 352 N 1.23 1.35 -0.68 0.12 2.04 -1.76 -2.40 117.51 117.42 3fbx h ILE 352 Ca 0.33 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.88 3fbx h ILE 352 Cb -0.14 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3fbx h ILE 352 CO -0.07 0.39 0.45 0.03 0.00 0.00 0.00 178.15 178.95 3fbx h ARG 353 N -0.01 0.82 -0.19 2.37 3.08 -0.95 0.20 114.38 119.70 3fbx h ARG 353 Ca 0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3fbx h ARG 353 Cb 0.70 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3fbx h ARG 353 CO 0.04 0.54 0.04 -0.97 -1.07 0.00 0.00 179.97 178.54 3fbx h ASN 354 N 0.84 0.29 -0.23 7.04 -1.24 -0.94 -1.76 115.58 119.58 3fbx h ASN 354 Ca 0.26 -0.25 -0.02 0.00 0.71 0.00 0.00 56.30 57.01 3fbx h ASN 354 Cb 0.02 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3fbx h ASN 354 CO -0.07 0.46 0.08 0.58 -1.29 0.00 0.00 177.43 177.19 3fbx h VAL 355 N 0.10 1.19 -0.24 2.57 2.07 -0.93 -1.72 116.25 119.29 3fbx h VAL 355 Ca 0.06 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3fbx h VAL 355 Cb 0.29 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3fbx h VAL 355 CO 0.00 0.19 0.15 0.58 0.02 0.00 0.00 177.57 178.51 3fbx h VAL 356 N 0.21 1.08 -0.53 2.57 2.07 -0.97 -2.05 116.25 118.63 3fbx h VAL 356 Ca 0.08 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3fbx h VAL 356 Cb 0.22 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3fbx h VAL 356 CO -0.00 0.08 0.33 0.00 0.02 0.00 0.00 177.57 177.99 3fbx h ALA 357 N 1.06 0.68 -0.97 1.67 0.00 -1.29 -1.73 119.26 118.68 3fbx h ALA 357 Ca 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3fbx h ALA 357 Cb -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3fbx h ALA 357 CO -0.02 0.05 0.64 -0.91 0.00 0.00 0.00 179.25 179.01 3fbx h ASN 358 N 0.66 1.07 -0.29 0.00 -0.26 -1.17 -1.56 115.58 114.03 3fbx h ASN 358 Ca 0.21 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.81 3fbx h ASN 358 Cb -0.01 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 36.99 3fbx h ASN 358 CO -0.08 0.75 -0.29 0.03 -1.06 0.00 0.00 177.43 176.78 3fbx h ARG 359 N 1.25 0.70 0.00 0.81 3.08 -0.99 -3.38 114.38 115.86 3fbx h ARG 359 Ca 0.37 -0.37 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3fbx h ARG 359 Cb -0.05 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 3fbx h ARG 359 CO -0.10 0.99 -1.52 -0.07 -1.07 0.00 0.00 179.97 178.20 3fbx h LEU 360 N 0.45 0.00 -9.84 3.04 3.38 -1.10 -0.58 115.31 110.66 3fbx h LEU 360 Ca 0.05 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.49 3fbx h LEU 360 Cb 0.86 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.68 3fbx h LEU 360 CO 0.07 0.96 0.70 0.00 0.09 0.00 0.00 178.44 180.27 3fbx s ALA 361 N -2.65 3.55 -0.13 1.53 0.00 -0.61 -4.54 121.76 118.92 3fbx s ALA 361 Ca -0.03 1.33 0.15 0.00 0.00 0.00 0.00 51.96 53.41 3fbx s ALA 361 Cb 0.08 -3.53 -0.21 0.00 0.00 0.00 0.00 23.12 19.47 3fbx s ALA 361 CO 0.82 -0.74 0.11 1.28 0.00 0.00 0.00 175.76 177.23 3fbx n LEU 362 N 1.28 0.00 -3.99 0.00 7.99 -1.26 -4.61 117.00 116.41 3fbx n LEU 362 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.91 3fbx n LEU 362 Cb 0.41 0.33 -0.03 0.00 -0.11 0.00 0.00 43.42 44.02 3fbx n LEU 362 CO 0.60 0.33 0.26 1.51 -1.51 0.00 0.00 177.39 178.58 3fbx s ASP 363 N -4.80 0.39 0.21 -1.43 3.84 -1.26 -4.93 116.67 108.69 3fbx s ASP 363 Ca -0.08 -1.23 -0.09 0.00 -0.00 0.00 0.00 52.55 51.15 3fbx s ASP 363 Cb 0.06 0.69 0.24 0.00 -1.38 0.00 0.00 42.92 42.53 3fbx s ASP 363 CO 0.67 -1.36 1.81 1.23 -0.00 0.00 0.00 175.17 177.52 3fbx h GLY 364 N 2.12 0.99 0.96 2.12 0.00 -1.90 -1.80 103.07 105.55 3fbx h GLY 364 Ca -0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3fbx h GLY 364 CO 0.38 0.17 0.12 0.00 0.00 0.00 0.00 176.54 177.21 3fbx h ALA 365 N 1.34 0.59 -0.11 3.60 0.00 -1.97 -1.89 119.26 120.83 3fbx h ALA 365 Ca 0.30 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3fbx h ALA 365 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fbx h ALA 365 CO -0.17 0.26 -0.48 1.79 0.00 0.00 0.00 179.25 180.64 3fbx h THR 366 N 0.59 1.34 0.15 0.00 1.35 -1.94 -1.39 112.91 113.01 3fbx h THR 366 Ca 0.14 -1.70 -0.01 0.00 -0.55 0.00 0.00 66.41 64.29 3fbx h THR 366 Cb 0.30 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3fbx h THR 366 CO -0.00 0.51 -0.07 -0.25 -0.25 0.00 0.00 175.52 175.46 3fbx h TRP 367 N 0.23 -0.19 -0.59 4.73 7.01 -1.05 -1.65 115.95 124.44 3fbx h TRP 367 Ca 0.01 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.03 3fbx h TRP 367 Cb 0.94 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 28.03 3fbx h TRP 367 CO 0.02 -0.11 0.37 0.00 -2.79 0.00 0.00 178.44 175.93 3fbx h ALA 368 N 0.65 0.76 -0.40 2.65 0.00 -1.25 -1.11 119.26 120.56 3fbx h ALA 368 Ca -0.02 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3fbx h ALA 368 Cb 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3fbx h ALA 368 CO 0.03 0.13 0.10 0.22 0.00 0.00 0.00 179.25 179.74 3fbx h ASP 369 N 0.75 0.06 -0.10 0.00 3.58 -1.05 -2.31 116.42 117.36 3fbx h ASP 369 Ca 0.23 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.71 3fbx h ASP 369 Cb -0.02 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 3fbx h ASP 369 CO -0.08 0.07 -0.05 0.58 -2.88 0.00 0.00 179.24 176.88 3fbx h VAL 370 N 0.24 1.32 -0.34 2.25 2.07 -1.16 -3.33 116.25 117.31 3fbx h VAL 370 Ca 0.19 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 3fbx h VAL 370 Cb 0.21 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 3fbx h VAL 370 CO -0.23 0.30 0.09 0.15 0.02 0.00 0.00 177.57 177.90 3fbx h PHE 371 N -0.16 0.48 -0.01 1.57 3.57 -1.10 -2.90 116.94 118.40 3fbx h PHE 371 Ca 0.02 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3fbx h PHE 371 Cb 0.50 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.09 3fbx h PHE 371 CO 0.07 0.42 -0.07 0.36 -2.23 0.00 0.00 178.31 176.86 3fbx n LYS 372 N -4.36 1.03 -2.27 1.11 2.85 -0.88 -4.76 118.16 110.88 3fbx n LYS 372 Ca 0.02 -0.39 -0.41 0.00 -1.05 0.00 0.00 58.31 56.47 3fbx n LYS 372 Cb 0.17 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.03 3fbx n LYS 372 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3fbx s ARG 373 N -2.24 4.43 -1.31 -1.58 0.52 -1.10 -3.55 118.95 114.12 3fbx s ARG 373 Ca 0.35 1.99 -0.05 0.00 -0.52 0.00 0.00 55.73 57.50 3fbx s ARG 373 Cb 0.21 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.48 3fbx s ARG 373 CO 0.42 -0.19 1.07 1.19 0.02 0.00 0.00 175.30 177.81 3fbx n PHE 374 N 2.51 -2.52 -1.65 -0.53 3.01 -1.26 -4.77 117.46 112.24 3fbx n PHE 374 Ca 0.05 0.97 -0.47 0.00 1.01 0.00 0.00 57.45 59.01 3fbx n PHE 374 Cb 0.43 -4.94 -0.05 0.00 -0.01 0.00 0.00 39.48 34.92 3fbx n PHE 374 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3fbx n ASN 375 N -3.05 3.37 0.15 4.37 5.15 -1.23 -0.72 115.26 123.31 3fbx n ASN 375 Ca -0.12 0.82 0.12 0.00 -0.60 0.00 0.00 54.58 54.80 3fbx n ASN 375 Cb 0.61 -1.40 0.18 0.00 -0.53 0.00 0.00 39.78 38.64 3fbx n ASN 375 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3fbx h SER 376 N 10.35 0.00 -1.18 1.20 4.64 -1.90 -3.45 113.55 123.21 3fbx h SER 376 Ca -0.46 -0.03 -0.29 0.00 -0.47 0.00 0.00 61.79 60.55 3fbx h SER 376 Cb 1.27 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.28 3fbx h SER 376 CO 0.96 0.01 -0.30 0.61 -0.87 0.00 0.00 176.83 177.24 3fbx n GLY 377 N 1.19 0.84 3.30 -0.77 0.00 -1.26 -4.34 105.19 104.15 3fbx n GLY 377 Ca 0.03 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 3fbx n GLY 377 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fbx s THR 378 N -2.60 1.79 -1.05 2.61 -4.23 -1.26 -4.39 115.64 106.51 3fbx s THR 378 Ca 0.00 -1.60 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 3fbx s THR 378 Cb 0.00 -1.63 -0.00 0.00 1.34 0.00 0.00 72.50 72.21 3fbx s THR 378 CO 0.00 -0.06 0.75 0.00 -0.54 0.00 0.00 174.62 174.76 3fbx n TYR 379 N 1.00 -2.02 -2.48 3.99 -0.00 -1.23 -4.47 117.16 111.94 3fbx n TYR 379 Ca -0.19 0.56 -0.43 0.00 -0.00 0.00 0.00 57.90 57.84 3fbx n TYR 379 Cb 0.54 -3.36 -0.02 0.00 -0.00 0.00 0.00 39.34 36.50 3fbx n TYR 379 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 3fbx s ASN 380 N -3.34 6.61 0.17 2.98 0.01 -1.26 -4.98 114.94 115.13 3fbx s ASN 380 Ca 0.35 0.87 0.07 0.00 -0.71 0.00 0.00 52.86 53.43 3fbx s ASN 380 Cb -0.13 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 3fbx s ASN 380 CO 0.86 -1.20 -0.14 0.20 -1.51 0.00 0.00 177.10 175.32 3fbx s ASN 381 N 2.85 2.29 -0.34 -1.22 0.01 -1.24 -0.33 114.94 116.96 3fbx s ASN 381 Ca 0.54 -0.97 -0.16 0.00 -0.71 0.00 0.00 52.86 51.56 3fbx s ASN 381 Cb -0.12 -0.10 -0.01 0.00 0.41 0.00 0.00 41.25 41.43 3fbx s ASN 381 CO 0.27 -0.19 0.39 -1.58 -1.51 0.00 0.00 177.10 174.48 3fbx s GLN 382 N -3.43 3.59 -0.05 -0.60 0.74 -0.11 -2.30 119.66 117.50 3fbx s GLN 382 Ca 0.18 -0.35 -0.14 0.00 0.05 0.00 0.00 55.36 55.09 3fbx s GLN 382 Cb -0.01 -3.80 -0.05 0.00 1.10 0.00 0.00 33.01 30.25 3fbx s GLN 382 CO 0.05 -0.54 0.38 -1.58 -0.55 0.00 0.00 175.29 173.05 3fbx s TRP 383 N 2.09 3.66 -0.15 1.67 0.52 0.61 -1.91 118.94 125.42 3fbx s TRP 383 Ca 0.13 0.89 -0.01 0.00 0.02 0.00 0.00 56.10 57.13 3fbx s TRP 383 Cb -0.16 -2.30 -0.01 0.00 -1.15 0.00 0.00 33.47 29.85 3fbx s TRP 383 CO 0.12 0.54 -0.12 -1.64 0.02 0.00 0.00 176.95 175.87 3fbx s MET 384 N -0.66 3.37 -0.26 4.98 -1.94 0.61 -1.54 119.30 123.85 3fbx s MET 384 Ca 0.22 -0.68 -0.02 0.00 -1.71 0.00 0.00 55.69 53.51 3fbx s MET 384 Cb -0.16 -2.71 0.03 0.00 2.01 0.00 0.00 34.83 34.01 3fbx s MET 384 CO 0.11 0.11 -0.04 0.42 -0.01 0.00 0.00 175.02 175.60 3fbx s ILE 385 N 0.63 2.89 -0.24 2.53 1.09 -0.40 -1.96 121.20 125.73 3fbx s ILE 385 Ca -0.06 -1.15 -0.10 0.00 -1.10 0.00 0.00 60.65 58.24 3fbx s ILE 385 Cb -0.15 -2.53 -0.05 0.00 -1.06 0.00 0.00 42.46 38.67 3fbx s ILE 385 CO 0.03 0.10 0.15 -0.69 -0.10 0.00 0.00 174.94 174.43 3fbx s VAL 386 N 1.30 5.22 -0.53 2.92 1.01 0.13 -1.63 120.40 128.82 3fbx s VAL 386 Ca -0.02 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 3fbx s VAL 386 Cb -0.18 -3.44 0.14 0.00 0.00 0.00 0.00 36.38 32.90 3fbx s VAL 386 CO -0.03 0.34 0.40 -0.62 0.00 0.00 0.00 175.10 175.19 3fbx s ASP 387 N 1.13 5.71 0.57 3.32 3.68 0.45 -0.66 116.67 130.88 3fbx s ASP 387 Ca 0.07 -2.16 0.36 0.00 2.13 0.00 0.00 52.55 52.94 3fbx s ASP 387 Cb -0.14 -1.99 1.64 0.00 -1.45 0.00 0.00 42.92 40.98 3fbx s ASP 387 CO 0.05 -0.62 2.09 1.88 0.13 0.00 0.00 175.17 178.70 3fbx h TYR 388 N 8.12 0.00 0.00 -5.34 0.99 -1.31 -1.74 116.97 117.69 3fbx h TYR 388 Ca -0.14 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.58 3fbx h TYR 388 Cb 1.05 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.78 3fbx h TYR 388 CO 0.69 0.02 -0.03 0.87 -0.00 0.00 0.00 178.16 179.71 3fbx h LYS 389 N 0.00 0.00 -0.02 4.88 1.57 -1.91 -1.97 116.57 119.12 3fbx h LYS 389 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fbx h LYS 389 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3fbx h LYS 389 CO 0.00 0.03 -0.11 0.00 -0.57 0.00 0.00 179.45 178.80 3fbx n ALA 390 N -2.25 2.75 -2.63 3.86 0.00 -0.65 -4.89 120.51 116.70 3fbx n ALA 390 Ca -0.03 -0.57 -0.39 0.00 0.00 0.00 0.00 53.44 52.45 3fbx n ALA 390 Cb 0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 3fbx n ALA 390 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3fbx s PHE 391 N -2.14 3.30 -0.32 0.00 5.36 -0.74 -4.81 117.98 118.62 3fbx s PHE 391 Ca 0.29 0.60 -0.08 0.00 -0.96 0.00 0.00 56.93 56.78 3fbx s PHE 391 Cb 0.20 -2.64 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 3fbx s PHE 391 CO 0.38 -0.19 0.11 -1.17 -1.46 0.00 0.00 175.22 172.90 3fbx s LEU 392 N 1.95 4.17 0.17 6.12 2.96 -1.26 -5.02 118.68 127.77 3fbx s LEU 392 Ca 0.20 -0.89 -0.34 0.00 -0.22 0.00 0.00 54.13 52.88 3fbx s LEU 392 Cb -0.15 -1.91 -0.15 0.00 0.50 0.00 0.00 46.19 44.48 3fbx s LEU 392 CO 0.09 -0.27 1.43 -2.65 -1.32 0.00 0.00 176.35 173.63 3fbx n PRO 393 N 4.88 1.78 -0.48 0.98 -0.02 -1.26 -0.54 135.00 140.34 3fbx n PRO 393 Ca -0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3fbx n PRO 393 Cb 0.47 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3fbx n PRO 393 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fbx n ASN 394 N 2.73 0.00 -4.86 2.55 3.02 0.14 -4.97 115.26 113.87 3fbx n ASN 394 Ca 0.16 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.40 3fbx n ASN 394 Cb 0.27 -0.70 0.05 0.00 -0.61 0.00 0.00 39.78 38.79 3fbx n ASN 394 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3fbx s GLY 395 N -2.00 1.64 0.90 7.41 0.00 0.30 -4.86 107.32 110.71 3fbx s GLY 395 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 44.72 44.36 3fbx s GLY 395 CO 0.00 0.14 1.26 2.56 0.00 0.00 0.00 173.10 177.07 3fbx s PRO 396 N -5.24 1.15 0.04 2.90 0.04 -1.26 -4.79 135.00 127.83 3fbx s PRO 396 Ca 0.58 -0.24 -0.34 0.00 0.04 0.00 0.00 61.00 61.04 3fbx s PRO 396 Cb -0.12 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 3fbx s PRO 396 CO 0.53 -2.09 1.68 0.45 0.04 0.00 0.00 177.00 177.61 3fbx n SER 397 N -3.58 3.09 -0.03 6.66 2.88 -1.26 -4.85 113.62 116.53 3fbx n SER 397 Ca 0.13 1.04 0.15 0.00 -1.33 0.00 0.00 58.87 58.86 3fbx n SER 397 Cb 0.60 -1.38 0.85 0.00 -0.75 0.00 0.00 64.21 63.53 3fbx n SER 397 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3fbx n PRO 398 N 4.66 0.84 0.00 -1.46 -0.04 -1.26 -4.93 135.00 132.81 3fbx n PRO 398 Ca 0.20 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3fbx n PRO 398 Cb 0.28 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3fbx n PRO 398 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fbx n GLY 399 N 1.11 2.71 3.76 0.55 0.00 -1.26 -4.94 105.19 107.12 3fbx n GLY 399 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 3fbx n GLY 399 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fbx s SER 400 N 0.36 -0.09 0.00 1.61 1.04 -1.26 -4.27 113.70 111.08 3fbx s SER 400 Ca 0.00 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3fbx s SER 400 Cb 0.00 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.83 3fbx s SER 400 CO 0.00 -1.36 0.00 0.54 0.98 0.00 0.00 173.24 173.40 3fbx n ARG 401 N -0.46 0.00 -0.02 4.02 1.74 -1.26 -4.82 116.66 115.85 3fbx n ARG 401 Ca -0.04 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.91 3fbx n ARG 401 Cb 0.60 -0.55 -0.10 0.00 -1.02 0.00 0.00 32.46 31.39 3fbx n ARG 401 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fbx h VAL 402 N 0.00 1.43 -3.34 1.55 2.07 -1.87 -3.37 116.25 112.72 3fbx h VAL 402 Ca 0.00 -1.32 -0.53 0.00 0.82 0.00 0.00 66.70 65.67 3fbx h VAL 402 Cb 0.00 2.29 -0.34 0.00 -1.52 0.00 0.00 31.29 31.71 3fbx h VAL 402 CO 0.00 0.35 -0.82 -0.22 0.02 0.00 0.00 177.57 176.90 3fbx s LEU 403 N -9.08 1.59 -0.08 2.57 2.96 -1.26 -0.41 118.68 114.96 3fbx s LEU 403 Ca -0.16 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3fbx s LEU 403 Cb 0.02 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 3fbx s LEU 403 CO 0.69 0.00 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.62 3fbx s THR 404 N 0.91 2.33 -0.11 3.68 2.01 -0.65 0.46 115.64 124.28 3fbx s THR 404 Ca -0.10 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 60.96 3fbx s THR 404 Cb -0.15 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3fbx s THR 404 CO 0.01 0.56 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.76 3fbx s ILE 405 N 0.04 3.36 -0.04 1.82 -1.09 0.81 -1.28 121.20 124.82 3fbx s ILE 405 Ca -0.09 -0.57 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 3fbx s ILE 405 Cb -0.15 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 3fbx s ILE 405 CO 0.05 0.55 -0.11 -0.22 -1.23 0.00 0.00 174.94 173.98 3fbx s LEU 406 N -0.10 1.77 -0.05 2.97 0.20 -0.59 -0.89 118.68 121.99 3fbx s LEU 406 Ca -0.00 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.61 3fbx s LEU 406 Cb -0.14 -0.69 0.00 0.00 -0.43 0.00 0.00 46.19 44.93 3fbx s LEU 406 CO 0.03 0.08 -0.15 -1.61 -0.29 0.00 0.00 176.35 174.40 3fbx s GLU 407 N 0.27 1.76 -0.12 1.98 2.02 0.00 -0.29 118.70 124.33 3fbx s GLU 407 Ca -0.06 -0.54 0.03 0.00 0.02 0.00 0.00 54.97 54.43 3fbx s GLU 407 Cb -0.11 -1.49 0.01 0.00 0.10 0.00 0.00 34.13 32.64 3fbx s GLU 407 CO 0.01 0.16 -0.22 -1.14 0.02 0.00 0.00 175.26 174.10 3fbx s GLN 408 N 0.26 2.92 0.34 1.61 0.74 -0.97 -1.03 119.66 123.52 3fbx s GLN 408 Ca -0.08 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.54 3fbx s GLN 408 Cb -0.13 -2.29 -0.05 0.00 1.10 0.00 0.00 33.01 31.65 3fbx s GLN 408 CO 0.03 0.07 0.09 0.96 -0.55 0.00 0.00 175.29 175.89 3fbx s ILE 409 N 0.60 0.88 0.15 -2.34 -4.36 -0.34 -3.64 121.20 112.15 3fbx s ILE 409 Ca -0.13 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 57.95 3fbx s ILE 409 Cb -0.17 -2.61 -0.10 0.00 1.25 0.00 0.00 42.46 40.83 3fbx s ILE 409 CO 0.03 0.00 1.60 -2.84 0.24 0.00 0.00 174.94 173.98 3fbx s PRO 410 N -3.85 4.20 0.00 0.37 0.02 -1.26 -2.28 135.00 132.20 3fbx s PRO 410 Ca 0.32 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3fbx s PRO 410 Cb 0.06 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3fbx s PRO 410 CO 0.15 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 3fbx n GLY 411 N 3.82 1.08 3.25 0.52 0.00 -1.26 -4.94 105.19 107.66 3fbx n GLY 411 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3fbx n GLY 411 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fbx s MET 412 N -0.03 0.38 -0.09 1.61 -2.45 -0.96 -5.13 119.30 112.62 3fbx s MET 412 Ca 0.00 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.21 3fbx s MET 412 Cb 0.00 -0.03 0.02 0.00 1.25 0.00 0.00 34.83 36.08 3fbx s MET 412 CO 0.00 -0.16 -0.08 0.08 1.05 0.00 0.00 175.02 175.91 3fbx s VAL 413 N 1.36 1.00 -0.13 10.11 1.01 -1.26 -1.20 120.40 131.29 3fbx s VAL 413 Ca -0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3fbx s VAL 413 Cb -0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3fbx s VAL 413 CO -0.12 0.35 -0.06 -0.69 0.00 0.00 0.00 175.10 174.58 3fbx s VAL 414 N 1.37 3.67 -0.03 2.92 1.01 -0.20 -4.96 120.40 124.18 3fbx s VAL 414 Ca -0.02 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.57 3fbx s VAL 414 Cb -0.14 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3fbx s VAL 414 CO -0.04 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.70 3fbx s VAL 415 N 0.15 1.51 -0.07 2.92 1.01 -1.26 -0.82 120.40 123.84 3fbx s VAL 415 Ca -0.03 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3fbx s VAL 415 Cb -0.14 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.00 3fbx s VAL 415 CO 0.03 0.43 0.34 0.00 0.00 0.00 0.00 175.10 175.91 3fbx s ALA 416 N -0.22 -0.86 -0.06 5.51 0.00 -0.07 -5.01 121.76 121.05 3fbx s ALA 416 Ca 0.02 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 3fbx s ALA 416 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3fbx s ALA 416 CO 0.01 -0.22 1.03 0.34 0.00 0.00 0.00 175.76 176.92 3fbx s ASP 417 N -0.64 7.25 -0.16 0.00 -1.08 -1.26 -0.14 116.67 120.64 3fbx s ASP 417 Ca -0.07 1.63 0.15 0.00 -0.52 0.00 0.00 52.55 53.74 3fbx s ASP 417 Cb -0.04 -2.56 0.35 0.00 -1.46 0.00 0.00 42.92 39.21 3fbx s ASP 417 CO 0.03 -0.41 1.18 0.29 0.52 0.00 0.00 175.17 176.78 3fbx n LYS 418 N 4.64 1.40 -0.02 4.34 4.76 0.17 -4.76 118.16 128.69 3fbx n LYS 418 Ca 0.08 -2.89 -0.09 0.00 -2.87 0.00 0.00 58.31 52.54 3fbx n LYS 418 Cb 0.49 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 3fbx n LYS 418 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3fbx h THR 419 N 0.56 0.66 -0.69 -0.18 2.02 -1.84 -1.42 112.91 112.02 3fbx h THR 419 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3fbx h THR 419 Cb 1.01 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 3fbx h THR 419 CO 0.00 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.19 3fbx h ALA 420 N 1.02 0.90 -0.65 6.16 0.00 -1.86 -0.28 119.26 124.55 3fbx h ALA 420 Ca 0.10 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fbx h ALA 420 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3fbx h ALA 420 CO -0.24 0.50 0.37 1.49 0.00 0.00 0.00 179.25 181.36 3fbx h GLU 421 N 0.98 0.90 -0.39 0.00 4.57 -1.89 0.53 114.58 119.29 3fbx h GLU 421 Ca 0.23 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3fbx h GLU 421 Cb 0.17 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3fbx h GLU 421 CO -0.02 0.67 0.19 1.25 -1.18 0.00 0.00 179.01 179.91 3fbx h LEU 422 N 0.89 0.52 -0.94 1.64 5.85 -0.66 -0.51 115.31 122.10 3fbx h LEU 422 Ca 0.23 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3fbx h LEU 422 Cb 0.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3fbx h LEU 422 CO -0.04 0.51 -0.24 1.88 -0.34 0.00 0.00 178.44 180.21 3fbx h TYR 423 N 0.50 0.55 0.20 1.25 0.05 -0.91 0.17 116.97 118.77 3fbx h TYR 423 Ca 0.13 -0.12 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3fbx h TYR 423 Cb 0.13 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3fbx h TYR 423 CO -0.01 0.70 -0.09 -0.22 -1.05 0.00 0.00 178.16 177.48 3fbx h LYS 424 N 0.44 -0.25 0.00 4.88 3.64 -0.72 -3.32 116.57 121.24 3fbx h LYS 424 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3fbx h LYS 424 Cb 0.66 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 3fbx h LYS 424 CO 0.05 0.07 -0.67 0.25 -2.27 0.00 0.00 179.45 176.87 3fbx n THR 425 N -5.06 0.34 -0.84 1.00 -2.24 -0.21 -4.96 114.28 102.31 3fbx n THR 425 Ca -0.09 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3fbx n THR 425 Cb 0.23 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3fbx n THR 425 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3fbx n THR 426 N -2.11 0.00 -3.72 4.28 -2.24 0.58 -5.00 114.28 106.07 3fbx n THR 426 Ca 0.03 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 3fbx n THR 426 Cb 0.44 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 3fbx n THR 426 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fbx s TYR 427 N -2.57 -0.09 -0.12 4.78 1.13 -1.21 -1.04 117.35 118.22 3fbx s TYR 427 Ca 0.00 -0.24 -0.01 0.00 -1.41 0.00 0.00 57.07 55.40 3fbx s TYR 427 Cb 0.00 0.28 0.04 0.00 -1.10 0.00 0.00 41.96 41.18 3fbx s TYR 427 CO 0.00 -0.80 -0.01 -0.46 -2.51 0.00 0.00 175.55 171.77 3fbx s TRP 428 N -3.86 1.02 0.05 -3.49 -0.11 -0.14 -4.65 118.94 107.76 3fbx s TRP 428 Ca 0.07 -0.54 0.02 0.00 1.22 0.00 0.00 56.10 56.88 3fbx s TRP 428 Cb 0.01 -0.99 -0.04 0.00 -1.50 0.00 0.00 33.47 30.95 3fbx s TRP 428 CO -0.06 -0.46 0.06 0.00 -4.62 0.00 0.00 176.95 171.86 3fbx s ALA 429 N 1.86 3.49 -0.00 5.86 0.00 -1.26 -0.92 121.76 130.78 3fbx s ALA 429 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.01 3fbx s ALA 429 Cb -0.14 -1.42 -0.00 0.00 0.00 0.00 0.00 23.12 21.56 3fbx s ALA 429 CO -0.07 0.72 -0.04 0.45 0.00 0.00 0.00 175.76 176.82 3fbx s SER 430 N -2.13 0.47 -0.38 0.00 0.15 0.00 -4.99 113.70 106.83 3fbx s SER 430 Ca 0.26 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.91 3fbx s SER 430 Cb -0.12 -0.05 0.34 0.00 -1.71 0.00 0.00 66.02 64.48 3fbx s SER 430 CO 0.18 0.04 1.31 0.00 1.20 0.00 0.00 173.24 175.98 3fbx n TYR 431 N 2.94 -2.14 -1.07 3.44 4.11 -1.26 -0.89 117.16 122.29 3fbx n TYR 431 Ca -0.13 -1.72 -0.02 0.00 -0.00 0.00 0.00 57.90 56.02 3fbx n TYR 431 Cb 0.59 1.54 -0.01 0.00 -0.00 0.00 0.00 39.34 41.45 3fbx n TYR 431 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 3fbx n ASN 432 N -0.61 -4.32 -4.01 9.48 3.02 -1.26 -4.99 115.26 112.56 3fbx n ASN 432 Ca -0.07 0.06 -0.24 0.00 -0.03 0.00 0.00 54.58 54.29 3fbx n ASN 432 Cb 0.82 -2.04 -0.17 0.00 -0.61 0.00 0.00 39.78 37.79 3fbx n ASN 432 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fbx s ILE 433 N -1.75 1.10 0.35 2.41 1.01 -1.26 -4.48 121.20 118.59 3fbx s ILE 433 Ca 0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3fbx s ILE 433 Cb 0.00 -1.02 -0.11 0.00 0.01 0.00 0.00 42.46 41.35 3fbx s ILE 433 CO 0.00 0.35 1.42 -2.16 0.00 0.00 0.00 174.94 174.55 3fbx s PRO 434 N 0.71 4.21 0.02 2.79 0.04 -1.26 -4.95 135.00 136.56 3fbx s PRO 434 Ca -0.14 2.42 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 3fbx s PRO 434 Cb -0.16 -3.01 -0.25 0.00 0.04 0.00 0.00 34.50 31.12 3fbx s PRO 434 CO 0.03 -0.40 1.09 -0.92 0.04 0.00 0.00 177.00 176.85 3fbx h TYR 435 N 3.27 0.73 -2.72 0.56 5.03 -1.99 -3.44 116.97 118.42 3fbx h TYR 435 Ca -0.50 -0.42 -0.55 0.00 2.58 0.00 0.00 58.73 59.84 3fbx h TYR 435 Cb 1.23 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 39.42 3fbx h TYR 435 CO 0.55 1.25 1.02 -0.06 -1.32 0.00 0.00 178.16 179.60 3fbx s PHE 436 N -3.12 2.28 0.37 -3.82 0.40 -1.26 -4.92 117.98 107.91 3fbx s PHE 436 Ca -0.12 0.47 0.08 0.00 -0.60 0.00 0.00 56.93 56.76 3fbx s PHE 436 Cb 0.04 -3.77 0.81 0.00 0.51 0.00 0.00 43.02 40.61 3fbx s PHE 436 CO 0.85 -3.11 1.94 0.93 0.70 0.00 0.00 175.22 176.54 3fbx h GLU 437 N 9.06 0.66 -0.38 0.44 5.08 -1.98 0.23 114.58 127.69 3fbx h GLU 437 Ca -0.35 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 3fbx h GLU 437 Cb 1.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3fbx h GLU 437 CO 0.96 0.44 -0.07 1.79 -1.00 0.00 0.00 179.01 181.12 3fbx h THR 438 N 0.68 1.24 0.04 1.13 1.35 -1.98 0.86 112.91 116.22 3fbx h THR 438 Ca 0.34 -1.01 -0.16 0.00 -0.55 0.00 0.00 66.41 65.03 3fbx h THR 438 Cb 0.42 1.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3fbx h THR 438 CO -0.12 0.34 -0.63 0.58 -0.25 0.00 0.00 175.52 175.44 3fbx h VAL 439 N 0.59 1.46 -0.20 6.82 2.07 -1.70 -0.63 116.25 124.66 3fbx h VAL 439 Ca 0.11 -2.19 0.06 0.00 0.82 0.00 0.00 66.70 65.49 3fbx h VAL 439 Cb 0.48 2.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.95 3fbx h VAL 439 CO 0.03 0.63 -0.22 0.15 0.02 0.00 0.00 177.57 178.17 3fbx h PHE 440 N -0.20 -0.58 -0.40 1.57 3.04 -0.52 -1.73 116.94 118.11 3fbx h PHE 440 Ca -0.09 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.85 3fbx h PHE 440 Cb 1.38 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 40.16 3fbx h PHE 440 CO 0.16 -0.30 0.08 -0.91 -2.02 0.00 0.00 178.31 175.33 3fbx h ASN 441 N -0.24 0.63 0.44 0.41 4.21 -0.90 -3.03 115.58 117.09 3fbx h ASN 441 Ca 0.12 -0.25 -0.04 0.00 1.21 0.00 0.00 56.30 57.34 3fbx h ASN 441 Cb 0.43 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 3fbx h ASN 441 CO -0.34 0.71 -0.21 0.00 -1.29 0.00 0.00 177.43 176.30 3fbx h ALA 442 N 0.94 1.30 -0.51 -0.83 0.00 -0.95 -3.04 119.26 116.16 3fbx h ALA 442 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fbx h ALA 442 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fbx h ALA 442 CO 0.00 0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 3fbx n SER 443 N -3.77 3.03 0.00 0.00 3.41 -0.66 -4.64 113.62 110.99 3fbx n SER 443 Ca -0.02 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 3fbx n SER 443 Cb 0.31 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3fbx n SER 443 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fbx n GLY 444 N 1.41 0.62 0.16 5.00 0.00 -1.15 -0.68 105.19 110.55 3fbx n GLY 444 Ca 0.19 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.51 3fbx n GLY 444 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fbx h LEU 445 N 0.00 0.00 -1.01 0.99 3.38 -1.76 -3.30 115.31 113.61 3fbx h LEU 445 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3fbx h LEU 445 Cb 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3fbx h LEU 445 CO 0.00 0.32 0.65 1.56 0.09 0.00 0.00 178.44 181.06 3fbx h GLN 446 N 0.00 1.16 -0.09 1.13 1.08 -1.87 0.89 115.11 117.41 3fbx h GLN 446 Ca -0.02 -0.07 -0.13 0.00 -1.45 0.00 0.00 58.65 56.98 3fbx h GLN 446 Cb 1.26 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 3fbx h GLN 446 CO 0.04 0.77 -0.52 0.00 -0.95 0.00 0.00 178.83 178.17 3fbx h ALA 447 N 1.45 0.96 -0.13 3.87 0.00 -1.97 -0.10 119.26 123.35 3fbx h ALA 447 Ca 0.43 -0.49 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 3fbx h ALA 447 Cb 0.14 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fbx h ALA 447 CO -0.17 0.67 -0.82 -0.07 0.00 0.00 0.00 179.25 178.86 3fbx h LEU 448 N 0.18 0.95 -0.62 0.00 3.38 -1.54 -1.10 115.31 116.56 3fbx h LEU 448 Ca 0.00 -0.65 0.06 0.00 0.09 0.00 0.00 57.88 57.38 3fbx h LEU 448 Cb 0.98 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3fbx h LEU 448 CO 0.08 1.45 0.33 0.58 0.09 0.00 0.00 178.44 180.97 3fbx h VAL 449 N 0.52 0.95 -0.61 1.22 2.07 -0.67 -0.19 116.25 119.53 3fbx h VAL 449 Ca -0.07 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 3fbx h VAL 449 Cb 1.46 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3fbx h VAL 449 CO 0.17 0.11 0.01 0.00 0.02 0.00 0.00 177.57 177.88 3fbx h ALA 450 N 1.33 0.86 -0.03 1.67 0.00 -0.93 0.49 119.26 122.66 3fbx h ALA 450 Ca 0.28 -0.31 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 3fbx h ALA 450 Cb 0.19 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fbx h ALA 450 CO -0.18 0.67 -0.88 0.37 0.00 0.00 0.00 179.25 179.22 3fbx h GLN 451 N 0.97 0.65 0.00 0.00 4.15 -1.06 -3.40 115.11 116.42 3fbx h GLN 451 Ca 0.17 -0.66 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3fbx h GLN 451 Cb 0.55 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3fbx h GLN 451 CO 0.03 1.26 -0.13 0.66 -1.93 0.00 0.00 178.83 178.71 3fbx n TYR 452 N -3.97 0.00 -2.19 3.99 4.02 -0.10 -5.09 117.16 113.82 3fbx n TYR 452 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 3fbx n TYR 452 Cb 0.80 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.12 3fbx n TYR 452 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fbx n GLY 453 N 1.19 -0.14 0.27 2.72 0.00 0.17 -4.53 105.19 104.87 3fbx n GLY 453 Ca 0.00 -1.42 0.18 0.00 0.00 0.00 0.00 46.02 44.78 3fbx n GLY 453 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3fbx h ASP 454 N 4.44 0.00 -0.11 1.61 3.32 -1.88 -2.79 116.42 121.00 3fbx h ASP 454 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3fbx h ASP 454 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3fbx h ASP 454 CO 0.00 0.00 0.11 -0.25 -1.72 0.00 0.00 179.24 177.38 3fbx h TRP 455 N 0.00 0.00 -0.02 4.55 7.01 -1.83 -1.87 115.95 123.80 3fbx h TRP 455 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3fbx h TRP 455 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 3fbx h TRP 455 CO 0.00 0.00 -0.21 1.19 -2.79 0.00 0.00 178.44 176.63 3fbx n PHE 456 N -3.97 0.00 -2.72 2.65 3.01 -1.05 -4.75 117.46 110.63 3fbx n PHE 456 Ca -0.00 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.09 3fbx n PHE 456 Cb 0.22 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 3fbx n PHE 456 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3fbx s SER 457 N -1.78 7.18 0.10 4.37 0.15 -0.74 -4.79 113.70 118.19 3fbx s SER 457 Ca 0.17 1.89 -0.17 0.00 0.70 0.00 0.00 55.95 58.54 3fbx s SER 457 Cb 0.14 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.81 3fbx s SER 457 CO 0.34 -0.18 1.51 0.22 1.20 0.00 0.00 173.24 176.33 3fbx h TYR 458 N 2.97 0.65 0.00 3.44 5.03 -1.90 -3.14 116.97 124.01 3fbx h TYR 458 Ca -0.47 -0.13 -0.04 0.00 2.58 0.00 0.00 58.73 60.66 3fbx h TYR 458 Cb 1.20 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 39.31 3fbx h TYR 458 CO 0.61 0.75 -1.44 0.25 -1.32 0.00 0.00 178.16 177.01 3fbx n THR 459 N -4.49 0.55 0.05 1.81 -2.24 -1.26 -4.50 114.28 104.19 3fbx n THR 459 Ca -0.03 -0.57 0.03 0.00 -2.27 0.00 0.00 64.05 61.22 3fbx n THR 459 Cb 0.31 -0.30 0.07 0.00 -2.10 0.00 0.00 70.33 68.30 3fbx n THR 459 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fbx n LYS 460 N -2.58 1.75 -1.45 -0.78 5.02 -1.25 -4.43 118.16 114.44 3fbx n LYS 460 Ca -0.04 -1.47 -0.31 0.00 -2.02 0.00 0.00 58.31 54.47 3fbx n LYS 460 Cb 0.63 -1.15 0.07 0.00 -0.02 0.00 0.00 35.03 34.56 3fbx n LYS 460 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fbx s ASN 461 N -0.83 4.90 0.17 4.39 2.20 -0.98 -4.65 114.94 120.14 3fbx s ASN 461 Ca 0.12 1.64 -0.15 0.00 -0.94 0.00 0.00 52.86 53.53 3fbx s ASN 461 Cb 0.07 -2.44 0.14 0.00 -2.00 0.00 0.00 41.25 37.02 3fbx s ASN 461 CO 0.09 -1.76 1.69 -0.65 -2.94 0.00 0.00 177.10 173.54 3fbx h PRO 462 N -0.94 0.10 -0.42 3.55 0.11 -1.83 -0.63 132.00 131.94 3fbx h PRO 462 Ca -0.44 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3fbx h PRO 462 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3fbx h PRO 462 CO 0.55 0.07 0.21 0.00 -0.21 0.00 0.00 178.00 178.62 3fbx h ARG 463 N 0.11 0.61 -0.75 1.05 3.08 -1.89 0.86 114.38 117.43 3fbx h ARG 463 Ca 0.22 -0.09 0.10 0.00 0.07 0.00 0.00 59.98 60.28 3fbx h ARG 463 Cb 0.31 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 3fbx h ARG 463 CO -0.36 0.52 0.38 0.00 -1.07 0.00 0.00 179.97 179.44 3fbx h ALA 464 N 1.05 1.06 -0.41 0.04 0.00 -1.81 -0.50 119.26 118.69 3fbx h ALA 464 Ca 0.15 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3fbx h ALA 464 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fbx h ALA 464 CO -0.02 -0.04 -0.25 0.87 0.00 0.00 0.00 179.25 179.81 3fbx h LYS 465 N 0.63 0.89 -0.36 0.00 1.57 -0.62 -0.80 116.57 117.88 3fbx h LYS 465 Ca 0.38 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3fbx h LYS 465 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3fbx h LYS 465 CO -0.29 1.06 0.15 0.82 -0.57 0.00 0.00 179.45 180.62 3fbx h ILE 466 N 0.71 1.19 -0.60 1.86 2.04 -0.53 -1.71 117.51 120.47 3fbx h ILE 466 Ca 0.08 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.41 3fbx h ILE 466 Cb 0.83 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3fbx h ILE 466 CO 0.07 0.20 0.35 -0.26 0.00 0.00 0.00 178.15 178.52 3fbx h PHE 467 N 0.44 0.66 -0.70 1.37 0.05 -1.08 0.31 116.94 117.99 3fbx h PHE 467 Ca 0.12 0.02 0.02 0.00 3.82 0.00 0.00 57.97 61.95 3fbx h PHE 467 Cb 0.18 -0.21 -0.04 0.00 2.00 0.00 0.00 35.95 37.88 3fbx h PHE 467 CO -0.00 0.36 0.45 1.96 -0.18 0.00 0.00 178.31 180.89 3fbx h GLN 468 N 0.69 0.87 0.00 1.51 4.20 -0.95 -0.66 115.11 120.78 3fbx h GLN 468 Ca 0.25 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.81 3fbx h GLN 468 Cb 0.07 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 3fbx h GLN 468 CO -0.13 0.58 -0.63 0.07 -0.67 0.00 0.00 178.83 178.05 3fbx h ARG 469 N 0.90 0.00 0.00 1.46 0.11 -1.04 -3.41 114.38 112.40 3fbx h ARG 469 Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3fbx h ARG 469 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 3fbx h ARG 469 CO -0.09 0.38 -0.75 -0.25 0.10 0.00 0.00 179.97 179.36 3fbx n ASP 470 N -3.12 2.03 -0.22 0.08 8.00 0.08 -4.73 116.55 118.66 3fbx n ASP 470 Ca 0.00 -0.31 0.06 0.00 0.71 0.00 0.00 54.79 55.25 3fbx n ASP 470 Cb 0.72 1.13 0.32 0.00 -0.02 0.00 0.00 41.12 43.26 3fbx n ASP 470 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 3fbx h GLN 471 N 0.00 0.82 0.00 -1.24 -0.00 -1.30 -1.66 115.11 111.72 3fbx h GLN 471 Ca 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3fbx h GLN 471 Cb 0.19 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3fbx h GLN 471 CO 0.00 0.54 -0.01 0.66 -0.00 0.00 0.00 178.83 180.02 3fbx h SER 472 N 0.84 0.00 0.72 0.06 4.64 -1.85 -1.05 113.55 116.91 3fbx h SER 472 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3fbx h SER 472 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3fbx h SER 472 CO -0.12 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.03 3fbx n LEU 473 N -3.12 0.28 -4.57 5.97 4.77 -0.63 -4.55 117.00 115.15 3fbx n LEU 473 Ca -0.01 0.56 -0.42 0.00 -0.03 0.00 0.00 56.01 56.11 3fbx n LEU 473 Cb 0.22 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 3fbx n LEU 473 CO 0.25 -0.31 1.12 0.68 -1.33 0.00 0.00 177.39 177.79 3fbx s VAL 474 N -3.11 3.92 -0.34 4.08 -7.23 -0.40 -4.77 120.40 112.56 3fbx s VAL 474 Ca 0.07 0.76 0.03 0.00 -1.81 0.00 0.00 61.98 61.04 3fbx s VAL 474 Cb 0.11 -4.77 0.00 0.00 0.56 0.00 0.00 36.38 32.29 3fbx s VAL 474 CO 0.37 -1.48 0.43 -1.84 -0.31 0.00 0.00 175.10 172.27 3fbx n GLU 475 N 8.71 2.02 -3.73 4.82 0.28 -1.26 -4.87 120.64 126.61 3fbx n GLU 475 Ca 0.07 -0.44 -0.04 0.00 -0.16 0.00 0.00 57.16 56.60 3fbx n GLU 475 Cb 0.49 -0.91 0.02 0.00 1.43 0.00 0.00 31.44 32.48 3fbx n GLU 475 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3fbx n ASP 476 N -0.30 -1.72 -0.11 -1.84 5.68 -1.26 -4.94 116.55 112.07 3fbx n ASP 476 Ca 0.02 -1.96 -0.11 0.00 -0.50 0.00 0.00 54.79 52.24 3fbx n ASP 476 Cb 0.07 2.82 -0.03 0.00 -1.14 0.00 0.00 41.12 42.84 3fbx n ASP 476 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 3fbx h MET 477 N 0.00 0.54 -0.57 0.11 1.85 -1.99 -2.25 114.93 112.61 3fbx h MET 477 Ca -0.27 -0.16 -0.06 0.00 -0.61 0.00 0.00 59.70 58.60 3fbx h MET 477 Cb 1.14 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.09 3fbx h MET 477 CO 0.35 0.66 0.11 -0.44 -0.40 0.00 0.00 176.91 177.19 3fbx h ASP 478 N 0.35 0.86 -0.10 1.39 3.32 -1.99 -1.80 116.42 118.44 3fbx h ASP 478 Ca 0.09 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3fbx h ASP 478 Cb 0.41 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3fbx h ASP 478 CO 0.01 0.86 -0.10 0.00 -1.72 0.00 0.00 179.24 178.29 3fbx h ALA 479 N 1.25 1.35 -0.26 3.45 0.00 -1.89 -1.53 119.26 121.63 3fbx h ALA 479 Ca 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3fbx h ALA 479 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fbx h ALA 479 CO 0.01 0.44 0.07 1.98 0.00 0.00 0.00 179.25 181.75 3fbx h MET 480 N 0.40 0.41 -0.57 0.00 1.85 -0.86 -1.70 114.93 114.46 3fbx h MET 480 Ca 0.08 -0.09 0.05 0.00 -0.61 0.00 0.00 59.70 59.12 3fbx h MET 480 Cb 0.43 -0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.35 3fbx h MET 480 CO 0.02 0.49 0.30 0.28 -0.40 0.00 0.00 176.91 177.61 3fbx h VAL 481 N 0.26 0.96 -0.41 -5.77 2.07 -1.09 0.68 116.25 112.95 3fbx h VAL 481 Ca 0.08 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3fbx h VAL 481 Cb 0.26 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3fbx h VAL 481 CO -0.00 0.10 0.27 0.03 0.02 0.00 0.00 177.57 177.99 3fbx h ARG 482 N 0.57 0.54 -0.38 1.57 3.08 -1.14 0.32 114.38 118.94 3fbx h ARG 482 Ca 0.25 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.15 3fbx h ARG 482 Cb 0.15 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3fbx h ARG 482 CO -0.17 0.36 -0.24 1.25 -1.07 0.00 0.00 179.97 180.10 3fbx h LEU 483 N 0.55 0.86 -1.77 3.04 5.85 -1.04 -2.46 115.31 120.34 3fbx h LEU 483 Ca 0.15 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3fbx h LEU 483 Cb -0.06 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.73 3fbx h LEU 483 CO -0.03 1.10 -0.08 0.24 -0.34 0.00 0.00 178.44 179.33 3fbx h MET 484 N 0.62 0.00 -0.34 1.25 2.86 -0.49 -1.43 114.93 117.40 3fbx h MET 484 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3fbx h MET 484 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3fbx h MET 484 CO 0.07 0.08 0.00 0.54 1.06 0.00 0.00 176.91 178.65 3fbx n ARG 485 N -3.30 2.35 -1.91 1.72 5.12 0.07 -4.07 116.66 116.64 3fbx n ARG 485 Ca -0.01 -2.04 -0.42 0.00 -1.93 0.00 0.00 57.85 53.45 3fbx n ARG 485 Cb 0.27 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 3fbx n ARG 485 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3fbx s TYR 486 N -1.57 2.20 -0.28 -1.55 5.04 -0.54 -4.62 117.35 116.03 3fbx s TYR 486 Ca 0.37 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.19 3fbx s TYR 486 Cb 0.22 -3.99 0.18 0.00 0.35 0.00 0.00 41.96 38.71 3fbx s TYR 486 CO 0.30 -4.07 0.54 1.21 -1.34 0.00 0.00 175.55 172.20 3fbx s ASN 487 N 2.82 -0.95 -0.39 4.32 3.84 -1.26 -1.48 114.94 121.84 3fbx s ASN 487 Ca 0.75 0.67 0.12 0.00 0.21 0.00 0.00 52.86 54.62 3fbx s ASN 487 Cb -0.39 1.88 0.39 0.00 -0.55 0.00 0.00 41.25 42.58 3fbx s ASN 487 CO 0.33 -0.27 0.86 -0.67 -2.79 0.00 0.00 177.10 174.55 3fbx n ASP 488 N 5.41 1.82 0.23 -4.21 2.03 -1.26 -4.37 116.55 116.20 3fbx n ASP 488 Ca -0.01 -3.07 0.08 0.00 0.52 0.00 0.00 54.79 52.31 3fbx n ASP 488 Cb 0.51 -0.57 0.53 0.00 -0.72 0.00 0.00 41.12 40.87 3fbx n ASP 488 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fbx h PHE 489 N 2.96 0.00 0.00 -0.67 -0.00 -1.90 0.69 116.94 118.02 3fbx h PHE 489 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.97 3fbx h PHE 489 Cb 0.97 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.91 3fbx h PHE 489 CO 0.55 0.23 -0.29 -0.07 -0.00 0.00 0.00 178.31 178.74 3fbx h LEU 490 N 0.00 0.00 0.00 2.10 3.38 -1.94 -3.34 115.31 115.52 3fbx h LEU 490 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fbx h LEU 490 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3fbx h LEU 490 CO 0.03 0.29 -0.82 1.41 0.09 0.00 0.00 178.44 179.45 3fbx n HIS 491 N -3.63 0.00 -2.82 1.13 8.25 -0.75 -4.99 115.22 112.40 3fbx n HIS 491 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3fbx n HIS 491 Cb 0.41 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.45 3fbx n HIS 491 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3fbx s ASP 492 N -1.96 6.91 0.57 0.41 -1.08 0.16 -4.94 116.67 116.74 3fbx s ASP 492 Ca -0.00 1.14 0.26 0.00 -0.52 0.00 0.00 52.55 53.42 3fbx s ASP 492 Cb 0.02 -2.47 1.66 0.00 -1.46 0.00 0.00 42.92 40.66 3fbx s ASP 492 CO 0.10 -0.56 2.22 1.55 0.52 0.00 0.00 175.17 178.99 3fbx h PRO 493 N 7.61 0.00 0.00 4.34 0.13 -1.90 -0.95 132.00 141.23 3fbx h PRO 493 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3fbx h PRO 493 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3fbx h PRO 493 CO 0.91 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.61 3fbx h LEU 494 N 0.00 0.00 -0.77 1.56 3.38 -1.95 -2.83 115.31 114.70 3fbx h LEU 494 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fbx h LEU 494 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fbx h LEU 494 CO -0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 3fbx n SER 495 N -2.41 1.19 -4.70 -0.43 7.64 -0.36 -4.69 113.62 109.86 3fbx n SER 495 Ca 0.02 -1.45 -0.42 0.00 1.01 0.00 0.00 58.87 58.03 3fbx n SER 495 Cb 0.27 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 3fbx n SER 495 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fbx s LEU 496 N -1.89 4.29 -0.35 -3.43 1.43 -1.07 -1.52 118.68 116.14 3fbx s LEU 496 Ca 0.38 1.68 -0.09 0.00 -1.03 0.00 0.00 54.13 55.07 3fbx s LEU 496 Cb 0.20 -3.56 0.03 0.00 0.03 0.00 0.00 46.19 42.89 3fbx s LEU 496 CO 0.32 -0.44 0.16 0.00 0.23 0.00 0.00 176.35 176.62 3fbx h GLU 498 N 8.33 0.93 0.00 0.00 4.39 -1.96 -2.11 114.58 124.16 3fbx h GLU 498 Ca -0.25 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3fbx h GLU 498 Cb 1.10 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3fbx h GLU 498 CO 0.64 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 179.15 3fbx n ALA 499 N -2.43 1.80 -2.59 3.43 0.00 -1.26 -4.87 120.51 114.58 3fbx n ALA 499 Ca 0.07 0.04 -0.27 0.00 0.00 0.00 0.00 53.44 53.28 3fbx n ALA 499 Cb 0.08 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 3fbx n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fbx s ASN 501 N -3.39 2.64 0.85 0.00 2.47 -0.26 -3.68 114.94 113.58 3fbx s ASN 501 Ca 0.42 -0.71 -0.11 0.00 0.42 0.00 0.00 52.86 52.88 3fbx s ASN 501 Cb -0.10 -0.48 0.10 0.00 -1.45 0.00 0.00 41.25 39.32 3fbx s ASN 501 CO 0.32 -0.31 1.09 -2.16 -3.72 0.00 0.00 177.10 172.32 3fbx s PRO 502 N 1.95 1.60 0.02 0.43 0.04 -1.26 0.02 135.00 137.80 3fbx s PRO 502 Ca 0.00 0.78 -0.19 0.00 0.04 0.00 0.00 61.00 61.64 3fbx s PRO 502 Cb -0.16 -1.85 -0.21 0.00 0.04 0.00 0.00 34.50 32.31 3fbx s PRO 502 CO -0.08 -1.99 1.16 0.87 0.04 0.00 0.00 177.00 176.99 3fbx h LYS 503 N -1.37 0.46 -6.84 4.56 1.57 -1.79 -3.44 116.57 109.73 3fbx h LYS 503 Ca -0.48 -0.43 -0.52 0.00 -1.87 0.00 0.00 60.65 57.34 3fbx h LYS 503 Cb 1.27 0.11 0.06 0.00 0.08 0.00 0.00 32.23 33.76 3fbx h LYS 503 CO 0.56 1.08 0.67 -2.14 -0.57 0.00 0.00 179.45 179.05 3fbx s PRO 504 N -3.42 4.33 -0.06 3.15 0.02 -1.26 -0.09 135.00 137.66 3fbx s PRO 504 Ca -0.13 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.14 3fbx s PRO 504 Cb 0.04 -3.08 0.02 0.00 0.02 0.00 0.00 34.50 31.50 3fbx s PRO 504 CO 0.82 -0.26 -0.06 1.21 -0.33 0.00 0.00 177.00 178.38 3fbx s ASN 505 N -0.21 1.36 0.00 2.53 3.84 -0.58 -4.87 114.94 117.01 3fbx s ASN 505 Ca 0.52 -0.18 0.12 0.00 0.21 0.00 0.00 52.86 53.54 3fbx s ASN 505 Cb -0.40 -0.57 0.56 0.00 -0.55 0.00 0.00 41.25 40.29 3fbx s ASN 505 CO 0.50 -0.06 1.37 0.00 -2.79 0.00 0.00 177.10 176.12 3fbx n ALA 506 N 4.26 1.62 0.17 1.71 0.00 -1.26 -1.64 120.51 125.37 3fbx n ALA 506 Ca -0.20 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.24 3fbx n ALA 506 Cb 0.51 -1.20 0.16 0.00 0.00 0.00 0.00 19.45 18.92 3fbx n ALA 506 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fbx h GLU 507 N 0.00 0.00 -3.56 0.00 4.57 -1.91 -1.21 114.58 112.47 3fbx h GLU 507 Ca 0.00 0.00 -0.76 0.00 -1.18 0.00 0.00 59.36 57.42 3fbx h GLU 507 Cb 0.18 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 28.61 3fbx h GLU 507 CO 0.00 0.41 1.93 0.09 -1.18 0.00 0.00 179.01 180.26 3fbx n ASN 508 N -3.30 5.15 -3.48 1.04 3.02 -0.65 -4.72 115.26 112.32 3fbx n ASN 508 Ca 0.01 -3.12 -0.11 0.00 -0.03 0.00 0.00 54.58 51.33 3fbx n ASN 508 Cb 0.63 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.30 3fbx n ASN 508 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fbx s ALA 509 N 0.32 -1.48 0.12 5.41 0.00 -1.26 -4.29 121.76 120.58 3fbx s ALA 509 Ca 0.39 0.36 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 3fbx s ALA 509 Cb 0.09 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3fbx s ALA 509 CO 0.01 -0.78 1.67 0.82 0.00 0.00 0.00 175.76 177.48 3fbx h ILE 510 N 2.04 1.18 -3.47 0.00 1.08 -1.72 -3.37 117.51 113.25 3fbx h ILE 510 Ca -0.33 -0.56 -0.70 0.00 -0.39 0.00 0.00 64.86 62.88 3fbx h ILE 510 Cb 1.30 0.92 -0.33 0.00 -3.07 0.00 0.00 36.82 35.64 3fbx h ILE 510 CO 0.38 0.20 -0.45 -0.55 -0.69 0.00 0.00 178.15 177.04 3fbx s SER 511 N -5.77 5.38 0.54 1.72 0.15 -0.55 -4.57 113.70 110.60 3fbx s SER 511 Ca -0.13 -2.25 -0.21 0.00 0.70 0.00 0.00 55.95 54.05 3fbx s SER 511 Cb 0.09 -1.88 -0.05 0.00 -1.71 0.00 0.00 66.02 62.47 3fbx s SER 511 CO 0.74 -0.53 1.29 0.00 1.20 0.00 0.00 173.24 175.94 3fbx s ALA 512 N 0.83 2.78 -0.50 5.45 0.00 -1.26 -4.59 121.76 124.47 3fbx s ALA 512 Ca 0.10 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.32 3fbx s ALA 512 Cb -0.22 -3.51 0.22 0.00 0.00 0.00 0.00 23.12 19.61 3fbx s ALA 512 CO -0.03 -1.20 0.54 0.54 0.00 0.00 0.00 175.76 175.61 3fbx n ARG 513 N -1.04 1.22 0.26 0.00 5.12 -0.46 -0.59 116.66 121.17 3fbx n ARG 513 Ca 0.10 -3.75 0.11 0.00 -1.93 0.00 0.00 57.85 52.38 3fbx n ARG 513 Cb 0.47 -1.72 0.68 0.00 -1.16 0.00 0.00 32.46 30.73 3fbx n ARG 513 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 3fbx h SER 514 N 4.57 0.00 -0.06 0.55 0.02 -1.57 -1.77 113.55 115.29 3fbx h SER 514 Ca 0.16 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3fbx h SER 514 Cb 0.81 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3fbx h SER 514 CO 0.57 0.13 0.33 -2.24 -1.14 0.00 0.00 176.83 174.49 3fbx h ASP 515 N 0.00 0.00 0.09 3.07 2.03 -1.18 -2.48 116.42 117.95 3fbx h ASP 515 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3fbx h ASP 515 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 3fbx h ASP 515 CO 0.02 0.00 -0.81 0.18 -1.03 0.00 0.00 179.24 177.60 3fbx n LEU 516 N -3.02 1.06 -4.76 0.15 4.77 -0.66 -4.84 117.00 109.69 3fbx n LEU 516 Ca -0.01 -0.44 -0.41 0.00 -0.03 0.00 0.00 56.01 55.12 3fbx n LEU 516 Cb 0.40 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3fbx n LEU 516 CO 0.16 0.24 0.93 0.20 -1.33 0.00 0.00 177.39 177.60 3fbx s ASN 517 N -2.91 6.90 0.32 -1.43 0.01 -0.95 -4.95 114.94 111.94 3fbx s ASN 517 Ca 0.11 2.57 -0.29 0.00 -0.71 0.00 0.00 52.86 54.54 3fbx s ASN 517 Cb 0.17 -2.64 -0.10 0.00 0.41 0.00 0.00 41.25 39.08 3fbx s ASN 517 CO 0.78 -0.44 1.33 -2.16 -1.51 0.00 0.00 177.10 175.10 3fbx s PRO 518 N -1.58 4.34 0.44 -0.60 0.04 -1.26 -4.49 135.00 131.88 3fbx s PRO 518 Ca 0.48 2.24 0.14 0.00 0.04 0.00 0.00 61.00 63.90 3fbx s PRO 518 Cb -0.38 -3.07 0.97 0.00 0.04 0.00 0.00 34.50 32.06 3fbx s PRO 518 CO 0.49 -0.23 1.97 0.00 0.04 0.00 0.00 177.00 179.28 3fbx h ALA 519 N 3.58 1.67 -0.50 8.56 0.00 -1.95 -2.29 119.26 128.32 3fbx h ALA 519 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3fbx h ALA 519 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3fbx h ALA 519 CO 0.67 0.25 0.00 0.27 0.00 0.00 0.00 179.25 180.44 3fbx n ASN 520 N -4.30 3.79 -4.74 0.00 0.23 -1.26 -4.93 115.26 104.05 3fbx n ASN 520 Ca -0.02 -2.34 -0.31 0.00 -0.53 0.00 0.00 54.58 51.37 3fbx n ASN 520 Cb 0.26 -0.51 0.11 0.00 -2.08 0.00 0.00 39.78 37.56 3fbx n ASN 520 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3fbx s GLY 521 N -0.80 1.76 -0.28 4.83 0.00 -0.86 -5.01 107.32 106.96 3fbx s GLY 521 Ca 0.40 0.41 -0.08 0.00 0.00 0.00 0.00 44.72 45.45 3fbx s GLY 521 CO 0.19 0.78 0.09 -0.45 0.00 0.00 0.00 173.10 173.71 3fbx s SER 522 N -3.06 5.23 -0.01 1.64 0.15 0.10 -4.98 113.70 112.77 3fbx s SER 522 Ca 0.64 -0.47 0.05 0.00 0.70 0.00 0.00 55.95 56.86 3fbx s SER 522 Cb -0.20 -1.93 -0.01 0.00 -1.71 0.00 0.00 66.02 62.18 3fbx s SER 522 CO 0.55 -0.13 -0.15 -0.31 1.20 0.00 0.00 173.24 174.39 3fbx s TYR 523 N 1.57 1.32 -0.11 3.44 2.02 -1.26 -1.10 117.35 123.23 3fbx s TYR 523 Ca 0.05 -0.25 0.26 0.00 -0.37 0.00 0.00 57.07 56.75 3fbx s TYR 523 Cb -0.16 -0.84 0.76 0.00 -0.40 0.00 0.00 41.96 41.31 3fbx s TYR 523 CO 0.04 -0.02 1.75 -1.00 -1.57 0.00 0.00 175.55 174.75 3fbx h PRO 524 N 5.73 0.00 -3.45 -1.71 0.13 -1.98 -3.46 132.00 127.26 3fbx h PRO 524 Ca -0.35 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3fbx h PRO 524 Cb 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.17 3fbx h PRO 524 CO 0.48 0.11 -0.08 -0.59 -0.23 0.00 0.00 178.00 177.69 3fbx s PHE 525 N -3.42 -0.08 0.29 1.56 -0.71 -1.26 -5.08 117.98 109.28 3fbx s PHE 525 Ca 0.03 -0.26 -0.00 0.00 -1.04 0.00 0.00 56.93 55.66 3fbx s PHE 525 Cb 0.08 0.25 0.48 0.00 -1.21 0.00 0.00 43.02 42.62 3fbx s PHE 525 CO 0.63 -0.77 1.90 0.37 -1.34 0.00 0.00 175.22 176.02 3fbx h GLN 526 N 2.35 1.06 -0.50 1.99 5.75 -2.01 -2.50 115.11 121.25 3fbx h GLN 526 Ca -0.32 -0.06 0.15 0.00 -0.15 0.00 0.00 58.65 58.26 3fbx h GLN 526 Cb 1.25 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.54 3fbx h GLN 526 CO 0.44 0.70 0.43 0.00 -2.65 0.00 0.00 178.83 177.75 3fbx h ALA 527 N 1.49 2.33 -0.00 3.38 0.00 -2.00 -1.58 119.26 122.87 3fbx h ALA 527 Ca 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3fbx h ALA 527 Cb 0.17 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3fbx h ALA 527 CO -0.15 -0.69 -0.19 1.28 0.00 0.00 0.00 179.25 179.50 3fbx n LEU 528 N -4.03 0.69 -4.75 0.00 4.77 -0.94 -4.90 117.00 107.84 3fbx n LEU 528 Ca 0.09 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 3fbx n LEU 528 Cb 0.64 -0.17 0.15 0.00 -2.33 0.00 0.00 43.42 41.71 3fbx n LEU 528 CO 0.32 0.13 0.69 -1.00 -1.33 0.00 0.00 177.39 176.20 3fbx s HIS 529 N -2.53 2.38 0.12 -1.77 3.76 -0.60 -4.90 115.29 111.75 3fbx s HIS 529 Ca 0.25 0.93 -0.31 0.00 -0.15 0.00 0.00 55.06 55.79 3fbx s HIS 529 Cb 0.20 -3.32 -0.09 0.00 1.11 0.00 0.00 32.58 30.48 3fbx s HIS 529 CO 0.51 -2.52 1.51 -1.14 -0.85 0.00 0.00 174.74 172.25 3fbx s GLN 530 N -5.15 4.25 0.02 1.40 0.74 -1.26 -4.84 119.66 114.82 3fbx s GLN 530 Ca 0.64 2.23 -0.18 0.00 0.05 0.00 0.00 55.36 58.10 3fbx s GLN 530 Cb -0.16 -3.28 0.03 0.00 1.10 0.00 0.00 33.01 30.70 3fbx s GLN 530 CO 0.55 -0.57 0.40 -0.98 -0.55 0.00 0.00 175.29 174.15 3fbx s ARG 531 N 1.45 0.85 -1.46 1.67 1.70 -1.12 -4.97 118.95 117.07 3fbx s ARG 531 Ca 0.68 -0.25 -0.12 0.00 -0.47 0.00 0.00 55.73 55.57 3fbx s ARG 531 Cb -0.40 0.38 0.04 0.00 -0.57 0.00 0.00 34.95 34.40 3fbx s ARG 531 CO 0.31 -0.27 2.36 0.00 -1.08 0.00 0.00 175.30 176.62 3fbx n ALA 532 N 0.79 6.11 -3.53 7.88 0.00 -1.26 -0.93 120.51 129.56 3fbx n ALA 532 Ca -0.19 -3.88 -0.15 0.00 0.00 0.00 0.00 53.44 49.22 3fbx n ALA 532 Cb 0.58 -3.35 -0.07 0.00 0.00 0.00 0.00 19.45 16.61 3fbx n ALA 532 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fbx s HIS 533 N 2.16 -0.67 -3.31 0.00 5.04 -1.26 -0.93 115.29 116.31 3fbx s HIS 533 Ca 0.52 1.56 0.00 0.00 -1.54 0.00 0.00 55.06 55.60 3fbx s HIS 533 Cb 0.15 0.26 0.00 0.00 0.04 0.00 0.00 32.58 33.03 3fbx s HIS 533 CO -0.07 -0.39 0.00 0.41 -2.34 0.00 0.00 174.74 172.35 3fbx n GLY 534 N 2.35 -0.93 3.70 1.59 0.00 -0.78 -1.88 105.19 109.25 3fbx n GLY 534 Ca -0.15 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3fbx n GLY 534 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fbx s GLY 535 N 0.00 1.53 0.00 -0.02 0.00 0.25 -1.22 107.32 107.86 3fbx s GLY 535 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.04 3fbx s GLY 535 CO 0.00 2.78 0.40 0.29 0.00 0.00 0.00 173.10 176.58 3fbx n ILE 536 N 4.34 0.00 -3.83 0.90 -5.35 0.54 -3.74 119.36 112.22 3fbx n ILE 536 Ca 0.15 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 62.11 3fbx n ILE 536 Cb 0.39 1.00 0.01 0.00 -1.74 0.00 0.00 39.64 39.30 3fbx n ILE 536 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3fbx s ASP 537 N -0.23 -0.05 -0.05 7.28 1.47 -1.24 -0.34 116.67 123.51 3fbx s ASP 537 Ca 0.00 -0.48 -0.03 0.00 1.18 0.00 0.00 52.55 53.22 3fbx s ASP 537 Cb 0.00 0.41 0.03 0.00 -0.34 0.00 0.00 42.92 43.01 3fbx s ASP 537 CO 0.00 -0.79 0.13 0.54 0.68 0.00 0.00 175.17 175.74 3fbx s VAL 538 N -2.44 -0.03 -0.03 2.11 0.11 -0.43 -3.58 120.40 116.11 3fbx s VAL 538 Ca 0.19 0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 3fbx s VAL 538 Cb -0.01 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 3fbx s VAL 538 CO 0.03 0.04 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.08 3fbx s LYS 539 N 0.63 1.98 -0.02 1.54 3.01 0.07 -1.06 119.74 125.89 3fbx s LYS 539 Ca -0.05 -0.78 0.02 0.00 -1.01 0.00 0.00 55.97 54.15 3fbx s LYS 539 Cb -0.06 -1.80 0.00 0.00 -1.01 0.00 0.00 37.83 34.96 3fbx s LYS 539 CO -0.03 0.40 -0.07 0.08 0.51 0.00 0.00 175.35 176.25 3fbx s VAL 540 N -0.31 0.60 0.32 3.17 1.01 0.15 -0.99 120.40 124.34 3fbx s VAL 540 Ca 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3fbx s VAL 540 Cb -0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3fbx s VAL 540 CO 0.01 0.19 0.15 0.28 0.00 0.00 0.00 175.10 175.73 3fbx s THR 541 N 0.17 0.44 0.30 3.92 -1.32 -0.05 -0.34 115.64 118.77 3fbx s THR 541 Ca -0.02 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.46 3fbx s THR 541 Cb -0.07 -2.52 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 3fbx s THR 541 CO 0.00 0.00 0.35 -0.94 -2.21 0.00 0.00 174.62 171.82 3fbx s SER 542 N -3.41 0.94 0.15 8.08 1.04 -1.26 -1.74 113.70 117.49 3fbx s SER 542 Ca 0.34 -1.51 -0.18 0.00 0.48 0.00 0.00 55.95 55.08 3fbx s SER 542 Cb 0.05 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.79 3fbx s SER 542 CO 0.17 -1.13 1.67 0.15 0.98 0.00 0.00 173.24 175.09 3fbx h PHE 543 N 2.22 -0.23 -0.13 5.02 3.57 -1.97 0.61 116.94 126.03 3fbx h PHE 543 Ca -0.28 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.05 3fbx h PHE 543 Cb 1.24 0.15 0.01 0.00 2.79 0.00 0.00 35.95 40.14 3fbx h PHE 543 CO 1.26 -0.17 -0.69 1.15 -2.23 0.00 0.00 178.31 177.64 3fbx h THR 544 N -0.03 1.31 -0.77 4.41 2.02 -1.97 -3.00 112.91 114.88 3fbx h THR 544 Ca 0.16 -1.93 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 3fbx h THR 544 Cb 0.27 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3fbx h THR 544 CO -0.35 0.60 0.35 -0.07 0.37 0.00 0.00 175.52 176.42 3fbx h LEU 545 N 0.39 1.02 -0.76 2.58 3.38 -1.80 -3.06 115.31 117.06 3fbx h LEU 545 Ca -0.05 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.69 3fbx h LEU 545 Cb 1.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 3fbx h LEU 545 CO 0.14 0.88 0.01 0.00 0.09 0.00 0.00 178.44 179.57 3fbx h ALA 546 N 1.18 0.97 -0.70 1.53 0.00 -0.93 0.28 119.26 121.58 3fbx h ALA 546 Ca 0.26 -0.29 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3fbx h ALA 546 Cb 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3fbx h ALA 546 CO -0.03 0.63 0.47 -0.22 0.00 0.00 0.00 179.25 180.10 3fbx h LYS 547 N 0.88 0.43 -0.54 0.00 3.64 -1.46 0.44 116.57 119.96 3fbx h LYS 547 Ca 0.17 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3fbx h LYS 547 Cb 0.50 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3fbx h LYS 547 CO 0.02 0.28 0.00 0.66 -2.27 0.00 0.00 179.45 178.15 3fbx n TYR 548 N -4.48 1.90 -3.69 1.91 4.01 -0.95 -4.95 117.16 110.91 3fbx n TYR 548 Ca 0.13 -0.74 -0.25 0.00 -0.16 0.00 0.00 57.90 56.88 3fbx n TYR 548 Cb 0.45 -0.47 0.03 0.00 -0.31 0.00 0.00 39.34 39.04 3fbx n TYR 548 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 3fbx n MET 549 N 0.49 -3.24 -4.05 -0.72 2.81 0.14 -4.94 117.12 107.61 3fbx n MET 549 Ca 0.27 0.56 -0.09 0.00 -1.81 0.00 0.00 57.70 56.62 3fbx n MET 549 Cb 1.14 -4.81 -0.11 0.00 -0.71 0.00 0.00 33.22 28.74 3fbx n MET 549 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3fbx s SER 550 N -4.00 0.54 0.13 7.83 0.15 0.94 -4.66 113.70 114.64 3fbx s SER 550 Ca 0.19 -0.73 -0.09 0.00 0.70 0.00 0.00 55.95 56.03 3fbx s SER 550 Cb -0.06 0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.37 3fbx s SER 550 CO 0.83 -0.40 0.24 0.00 1.20 0.00 0.00 173.24 175.12 3fbx s MET 551 N -2.54 1.01 -0.08 5.44 0.23 -0.62 -3.83 119.30 118.90 3fbx s MET 551 Ca -0.04 -1.07 -0.15 0.00 -1.03 0.00 0.00 55.69 53.40 3fbx s MET 551 Cb -0.03 0.36 -0.05 0.00 -1.53 0.00 0.00 34.83 33.59 3fbx s MET 551 CO -0.04 -0.35 0.37 -0.51 -2.03 0.00 0.00 175.02 172.45 3fbx s LEU 552 N -2.92 4.36 -0.03 0.18 1.43 0.54 -1.02 118.68 121.21 3fbx s LEU 552 Ca 0.11 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3fbx s LEU 552 Cb 0.04 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.78 3fbx s LEU 552 CO -0.05 0.20 -0.02 0.00 0.23 0.00 0.00 176.35 176.70 3fbx s ALA 553 N -0.25 0.48 -0.08 4.21 0.00 0.10 -0.68 121.76 125.54 3fbx s ALA 553 Ca 0.21 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.26 3fbx s ALA 553 Cb -0.15 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3fbx s ALA 553 CO 0.09 -0.02 -0.24 0.00 0.00 0.00 0.00 175.76 175.59 3fbx s ALA 554 N 0.85 2.13 -0.09 0.00 0.00 -0.22 -0.41 121.76 124.01 3fbx s ALA 554 Ca -0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 3fbx s ALA 554 Cb -0.13 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 3fbx s ALA 554 CO -0.01 0.33 0.00 0.45 0.00 0.00 0.00 175.76 176.53 3fbx s SER 555 N 0.17 5.23 0.00 0.00 0.15 -1.26 -1.31 113.70 116.67 3fbx s SER 555 Ca -0.13 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.65 3fbx s SER 555 Cb -0.16 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 3fbx s SER 555 CO 0.07 0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.49 3fbx n GLY 556 N 2.19 2.55 3.72 9.45 0.00 0.54 -4.38 105.19 119.26 3fbx n GLY 556 Ca -0.19 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 3fbx n GLY 556 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fbx s PRO 557 N -2.71 2.09 0.40 1.61 0.02 -1.25 -3.75 135.00 131.41 3fbx s PRO 557 Ca 0.00 1.83 -0.27 0.00 0.02 0.00 0.00 61.00 62.58 3fbx s PRO 557 Cb 0.00 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 3fbx s PRO 557 CO 0.00 -1.89 1.39 -0.08 -0.33 0.00 0.00 177.00 176.08 3fbx s THR 558 N -1.90 2.32 -0.02 0.99 -1.32 -1.26 -4.77 115.64 109.69 3fbx s THR 558 Ca 0.76 0.30 0.03 0.00 -1.21 0.00 0.00 61.69 61.57 3fbx s THR 558 Cb -0.31 -3.18 0.05 0.00 -1.51 0.00 0.00 72.50 67.54 3fbx s THR 558 CO 0.45 0.05 0.95 -2.67 -2.21 0.00 0.00 174.62 171.20 3fbx n TRP 559 N 0.19 0.00 -0.17 9.09 4.27 -1.26 -4.66 117.44 124.90 3fbx n TRP 559 Ca 0.03 -0.17 -0.09 0.00 -3.89 0.00 0.00 57.50 53.38 3fbx n TRP 559 Cb 0.42 -0.06 0.01 0.00 -1.36 0.00 0.00 31.31 30.32 3fbx n TRP 559 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 3fbx h ASP 560 N 0.00 0.75 0.00 -0.67 3.45 -1.92 -3.36 116.42 114.67 3fbx h ASP 560 Ca 0.00 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.23 3fbx h ASP 560 Cb 1.24 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.82 3fbx h ASP 560 CO 0.00 0.78 0.00 0.00 -1.57 0.00 0.00 179.24 178.45 3fbx n GLN 561 N -4.47 0.27 -4.36 3.56 6.02 -1.26 -5.06 117.38 112.08 3fbx n GLN 561 Ca 0.01 -0.46 -0.28 0.00 -0.01 0.00 0.00 57.00 56.26 3fbx n GLN 561 Cb 0.21 -0.64 -0.12 0.00 1.02 0.00 0.00 30.24 30.72 3fbx n GLN 561 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fbx s PRO 563 N -2.30 4.31 0.37 0.00 0.04 -1.26 -4.41 135.00 131.75 3fbx s PRO 563 Ca 0.18 2.27 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 3fbx s PRO 563 Cb -0.10 -3.07 -0.12 0.00 0.04 0.00 0.00 34.50 31.26 3fbx s PRO 563 CO 0.09 -0.27 1.12 -2.30 0.04 0.00 0.00 177.00 175.68 3fbx n PRO 564 N 1.09 1.63 -2.41 0.56 -0.02 -1.26 -4.85 135.00 129.74 3fbx n PRO 564 Ca 0.01 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 3fbx n PRO 564 Cb 0.41 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.74 3fbx n PRO 564 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3fbx s PHE 565 N -1.16 3.48 -0.07 6.00 5.36 -1.25 -4.89 117.98 125.44 3fbx s PHE 565 Ca 0.60 1.60 -0.03 0.00 -0.96 0.00 0.00 56.93 58.14 3fbx s PHE 565 Cb -0.59 -3.37 0.04 0.00 -0.34 0.00 0.00 43.02 38.77 3fbx s PHE 565 CO 0.59 -0.86 0.12 -1.14 -1.46 0.00 0.00 175.22 172.48 3fbx s GLN 566 N -1.19 -0.00 0.13 10.12 0.74 -1.26 -0.64 119.66 127.56 3fbx s GLN 566 Ca 0.47 0.49 -0.20 0.00 0.05 0.00 0.00 55.36 56.17 3fbx s GLN 566 Cb -0.33 -0.34 -0.02 0.00 1.10 0.00 0.00 33.01 33.42 3fbx s GLN 566 CO 0.41 -0.30 1.70 -1.49 -0.55 0.00 0.00 175.29 175.06 3fbx h TRP 567 N 8.31 -0.14 0.00 1.67 4.06 -1.32 -2.64 115.95 125.89 3fbx h TRP 567 Ca -0.15 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 3fbx h TRP 567 Cb 1.12 0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 3fbx h TRP 567 CO 0.44 -0.10 -0.10 0.66 -3.56 0.00 0.00 178.44 175.78 3fbx h SER 568 N -0.02 0.00 -1.01 -3.49 4.64 -1.90 -2.74 113.55 109.03 3fbx h SER 568 Ca 0.10 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.81 3fbx h SER 568 Cb 0.17 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 61.88 3fbx h SER 568 CO -0.22 0.10 -0.19 0.29 -0.87 0.00 0.00 176.83 175.95 3fbx n LYS 569 N -3.51 3.27 -4.30 4.77 5.02 -1.01 -4.87 118.16 117.54 3fbx n LYS 569 Ca -0.02 -3.92 -0.16 0.00 -2.02 0.00 0.00 58.31 52.20 3fbx n LYS 569 Cb 0.24 -2.28 -0.10 0.00 -0.02 0.00 0.00 35.03 32.87 3fbx n LYS 569 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3fbx s SER 570 N -2.90 1.54 0.00 4.39 1.04 -1.04 -4.77 113.70 111.96 3fbx s SER 570 Ca 0.55 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.79 3fbx s SER 570 Cb 0.44 0.07 0.20 0.00 0.10 0.00 0.00 66.02 66.82 3fbx s SER 570 CO -0.04 -0.56 0.59 -0.81 0.98 0.00 0.00 173.24 173.41 3fbx n PRO 571 N -0.36 0.38 -0.19 4.02 -0.04 -1.26 -3.48 135.00 134.07 3fbx n PRO 571 Ca -0.05 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.47 3fbx n PRO 571 Cb 0.64 -1.14 0.08 0.00 -0.04 0.00 0.00 33.50 33.05 3fbx n PRO 571 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3fbx n PHE 572 N -0.64 0.00 0.10 0.54 3.72 -1.26 -4.79 117.46 115.13 3fbx n PHE 572 Ca 0.03 -0.64 0.20 0.00 -0.05 0.00 0.00 57.45 56.99 3fbx n PHE 572 Cb 0.01 -0.11 0.75 0.00 -0.94 0.00 0.00 39.48 39.19 3fbx n PHE 572 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3fbx h HIS 573 N 0.00 0.00 0.00 1.38 2.07 -1.58 -2.25 115.15 114.77 3fbx h HIS 573 Ca 0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 3fbx h HIS 573 Cb 1.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.05 3fbx h HIS 573 CO 0.03 0.00 -0.68 0.77 -3.07 0.00 0.00 177.93 174.98 3fbx h SER 574 N 0.00 0.00 -3.18 3.10 0.02 -1.88 -3.47 113.55 108.14 3fbx h SER 574 Ca 0.19 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.57 3fbx h SER 574 Cb 1.05 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.69 3fbx h SER 574 CO -0.00 0.36 0.61 0.23 -1.14 0.00 0.00 176.83 176.88 3fbx n MET 575 N -3.05 2.23 -1.81 3.45 2.81 -0.85 -4.93 117.12 114.97 3fbx n MET 575 Ca -0.00 0.79 -0.42 0.00 -1.81 0.00 0.00 57.70 56.25 3fbx n MET 575 Cb 0.69 -2.43 -0.03 0.00 -0.71 0.00 0.00 33.22 30.75 3fbx n MET 575 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3fbx s LEU 576 N -0.71 4.37 -0.33 4.03 1.43 -1.26 -4.90 118.68 121.31 3fbx s LEU 576 Ca 0.60 2.77 0.17 0.00 -1.03 0.00 0.00 54.13 56.63 3fbx s LEU 576 Cb -0.57 -3.60 0.45 0.00 0.03 0.00 0.00 46.19 42.50 3fbx s LEU 576 CO 0.57 -0.92 1.14 0.00 0.23 0.00 0.00 176.35 177.38 3fbx n HIS 577 N 4.02 0.03 -1.60 0.29 1.44 -1.26 -4.78 115.22 113.36 3fbx n HIS 577 Ca 0.15 -2.33 -0.49 0.00 -2.01 0.00 0.00 57.72 53.04 3fbx n HIS 577 Cb 0.37 0.30 -0.04 0.00 0.12 0.00 0.00 29.99 30.74 3fbx n HIS 577 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3fbx n MET 578 N -0.47 1.36 -0.40 -1.40 2.81 -1.26 -2.22 117.12 115.54 3fbx n MET 578 Ca 0.03 0.49 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 3fbx n MET 578 Cb 0.83 -2.06 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 3fbx n MET 578 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fbx n GLY 579 N 2.25 1.61 3.86 3.03 0.00 -1.26 -4.78 105.19 109.90 3fbx n GLY 579 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3fbx n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fbx s GLN 580 N -0.22 3.77 0.40 1.61 -0.21 -0.94 -4.96 119.66 119.11 3fbx s GLN 580 Ca 0.00 0.21 -0.24 0.00 0.02 0.00 0.00 55.36 55.35 3fbx s GLN 580 Cb 0.00 -3.12 -0.12 0.00 1.00 0.00 0.00 33.01 30.77 3fbx s GLN 580 CO 0.00 0.65 0.84 -2.30 -2.12 0.00 0.00 175.29 172.36 3fbx n PRO 581 N 1.43 1.04 -0.05 2.91 -0.02 -1.26 -4.93 135.00 134.12 3fbx n PRO 581 Ca -0.12 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.60 3fbx n PRO 581 Cb 0.53 -1.81 -0.08 0.00 -0.02 0.00 0.00 33.50 32.12 3fbx n PRO 581 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3fbx h ASP 582 N 1.31 0.29 -3.31 2.55 3.58 -1.96 -3.45 116.42 115.43 3fbx h ASP 582 Ca -0.42 -0.47 -0.66 0.00 0.42 0.00 0.00 57.03 55.90 3fbx h ASP 582 Cb 1.36 -0.08 -0.17 0.00 1.72 0.00 0.00 39.33 42.16 3fbx h ASP 582 CO 0.55 0.71 -0.62 -0.22 -2.88 0.00 0.00 179.24 176.78 3fbx s LEU 583 N -9.15 3.52 -0.56 2.28 2.96 -1.26 -0.87 118.68 115.60 3fbx s LEU 583 Ca -0.15 0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3fbx s LEU 583 Cb 0.04 -1.83 0.15 0.00 0.50 0.00 0.00 46.19 45.05 3fbx s LEU 583 CO 0.73 0.28 0.38 0.26 -1.32 0.00 0.00 176.35 176.69 3fbx s TRP 584 N -0.30 3.48 -0.32 5.38 0.52 0.19 -4.90 118.94 122.98 3fbx s TRP 584 Ca 0.06 -2.53 0.16 0.00 0.02 0.00 0.00 56.10 53.82 3fbx s TRP 584 Cb -0.12 -3.26 0.47 0.00 -1.15 0.00 0.00 33.47 29.40 3fbx s TRP 584 CO 0.02 -0.90 1.04 -0.12 0.02 0.00 0.00 176.95 177.01 3fbx n MET 585 N 3.93 1.86 -3.44 4.98 1.56 -1.26 -3.94 117.12 120.80 3fbx n MET 585 Ca 0.04 -3.59 -0.35 0.00 -0.27 0.00 0.00 57.70 53.53 3fbx n MET 585 Cb 0.39 -1.58 -0.06 0.00 2.15 0.00 0.00 33.22 34.12 3fbx n MET 585 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 3fbx s PHE 586 N -3.41 3.57 0.31 1.12 0.08 -1.26 -5.09 117.98 113.30 3fbx s PHE 586 Ca 0.32 0.93 0.02 0.00 0.12 0.00 0.00 56.93 58.33 3fbx s PHE 586 Cb 0.41 -2.28 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3fbx s PHE 586 CO -0.02 0.44 0.49 -1.12 -0.10 0.00 0.00 175.22 174.91 3fbx s SER 587 N -1.83 6.27 0.49 1.36 0.01 -1.26 -4.72 113.70 114.02 3fbx s SER 587 Ca 0.37 0.29 -0.23 0.00 1.31 0.00 0.00 55.95 57.69 3fbx s SER 587 Cb -0.14 -1.92 -0.08 0.00 0.21 0.00 0.00 66.02 64.09 3fbx s SER 587 CO 0.19 -0.24 1.17 -2.65 0.41 0.00 0.00 173.24 172.12 3fbx n PRO 588 N -1.66 1.54 -4.20 12.44 -0.02 -1.26 -4.71 135.00 137.12 3fbx n PRO 588 Ca -0.06 0.56 -0.18 0.00 -2.02 0.00 0.00 63.50 61.80 3fbx n PRO 588 Cb 0.57 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.62 3fbx n PRO 588 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3fbx s ILE 589 N -1.30 1.20 -0.05 4.25 -5.25 0.45 -4.92 121.20 115.57 3fbx s ILE 589 Ca 0.67 -1.52 -0.30 0.00 -0.99 0.00 0.00 60.65 58.51 3fbx s ILE 589 Cb -0.48 -1.30 -0.03 0.00 2.95 0.00 0.00 42.46 43.60 3fbx s ILE 589 CO 0.54 -0.33 1.07 -0.13 -1.79 0.00 0.00 174.94 174.29 3fbx s ARG 590 N -2.23 4.43 -0.26 0.37 1.81 -1.26 -0.72 118.95 121.09 3fbx s ARG 590 Ca 0.03 1.51 -0.01 0.00 -1.72 0.00 0.00 55.73 55.54 3fbx s ARG 590 Cb -0.07 -3.51 0.03 0.00 -0.45 0.00 0.00 34.95 30.95 3fbx s ARG 590 CO 0.02 -0.29 -0.06 0.08 -0.68 0.00 0.00 175.30 174.38 3fbx s VAL 591 N 1.75 2.79 -2.68 3.52 1.01 -0.19 -4.98 120.40 121.62 3fbx s VAL 591 Ca 0.52 -1.15 0.27 0.00 0.00 0.00 0.00 61.98 61.62 3fbx s VAL 591 Cb -0.22 -2.46 0.42 0.00 0.00 0.00 0.00 36.38 34.12 3fbx s VAL 591 CO 0.22 0.14 1.57 -0.81 0.00 0.00 0.00 175.10 176.22