#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8y s ALA 2 N 0.00 2.31 0.00 4.61 0.00 -1.26 -1.68 121.76 125.74 2k8y s ALA 2 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2k8y s ALA 2 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.77 2k8y s ALA 2 CO 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 175.76 171.92 2k8y n MET 3 N 9.16 0.00 -2.72 0.00 -0.00 -1.26 -5.03 117.12 117.28 2k8y n MET 3 Ca 0.20 0.00 -0.07 0.00 -0.00 0.00 0.00 57.70 57.83 2k8y n MET 3 Cb 0.50 0.00 0.07 0.00 -0.00 0.00 0.00 33.22 33.79 2k8y n MET 3 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2k8y n ASP 4 N 0.00 -2.27 0.24 3.17 2.03 -0.68 -4.94 116.55 114.11 2k8y n ASP 4 Ca 0.00 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.39 2k8y n ASP 4 Cb 0.00 1.48 -0.05 0.00 -0.72 0.00 0.00 41.12 41.83 2k8y n ASP 4 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2k8y h PRO 5 N 3.52 -0.65 -7.48 -0.67 0.13 -1.94 0.11 132.00 125.02 2k8y h PRO 5 Ca -0.18 0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.54 2k8y h PRO 5 Cb 1.10 0.15 0.11 0.00 0.13 0.00 0.00 31.00 32.49 2k8y h PRO 5 CO 0.13 -0.43 0.30 -1.64 -0.23 0.00 0.00 178.00 176.13 2k8y s MET 6 N -3.75 1.62 -0.57 0.86 -1.94 -1.26 -4.67 119.30 109.58 2k8y s MET 6 Ca -0.10 -0.37 -0.20 0.00 -1.71 0.00 0.00 55.69 53.31 2k8y s MET 6 Cb 0.01 -2.06 0.08 0.00 2.01 0.00 0.00 34.83 34.87 2k8y s MET 6 CO 0.30 -1.68 0.73 0.42 -0.01 0.00 0.00 175.02 174.78 2k8y s ILE 7 N -3.48 4.73 -0.23 2.53 1.01 0.01 -4.94 121.20 120.84 2k8y s ILE 7 Ca 0.65 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2k8y s ILE 7 Cb -0.08 -4.46 -0.00 0.00 0.01 0.00 0.00 42.46 37.93 2k8y s ILE 7 CO 0.48 -1.07 -0.05 -0.63 0.00 0.00 0.00 174.94 173.67 2k8y s ILE 8 N 2.96 3.25 0.04 2.92 -1.09 -1.26 -1.75 121.20 126.28 2k8y s ILE 8 Ca 0.15 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 57.99 2k8y s ILE 8 Cb -0.21 -2.52 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 2k8y s ILE 8 CO 0.09 0.37 -0.09 -0.13 -1.23 0.00 0.00 174.94 173.96 2k8y s ARG 9 N 1.45 0.57 0.10 2.79 1.81 -0.83 -4.99 118.95 119.85 2k8y s ARG 9 Ca 0.05 -0.74 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 2k8y s ARG 9 Cb -0.15 -0.40 -0.04 0.00 -0.45 0.00 0.00 34.95 33.92 2k8y s ARG 9 CO -0.04 0.08 0.15 0.20 -0.68 0.00 0.00 175.30 175.01 2k8y s GLY 10 N -1.47 1.97 -0.15 -3.53 0.00 -1.25 -1.02 107.32 101.88 2k8y s GLY 10 Ca -0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 44.72 43.57 2k8y s GLY 10 CO 0.01 -0.99 0.36 -1.50 0.00 0.00 0.00 173.10 170.97 2k8y s ILE 11 N -1.53 -0.15 -0.07 0.90 2.07 -0.63 -0.96 121.20 120.82 2k8y s ILE 11 Ca 0.32 0.14 -0.18 0.00 -1.41 0.00 0.00 60.65 59.52 2k8y s ILE 11 Cb -0.12 -0.54 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 2k8y s ILE 11 CO 0.25 0.06 0.48 0.00 -1.91 0.00 0.00 174.94 173.81 2k8y s ARG 12 N 1.63 4.24 -0.52 3.50 1.70 0.60 -1.73 118.95 128.38 2k8y s ARG 12 Ca -0.07 0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 2k8y s ARG 12 Cb -0.10 -3.37 0.00 0.00 -0.57 0.00 0.00 34.95 30.91 2k8y s ARG 12 CO -0.11 0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.84 2k8y n GLY 13 N 2.79 0.51 3.61 3.88 0.00 -0.09 -1.11 105.19 114.79 2k8y n GLY 13 Ca -0.09 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 2k8y n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8y s ALA 14 N -2.23 3.25 -0.40 4.61 0.00 -0.23 -4.05 121.76 122.72 2k8y s ALA 14 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.30 2k8y s ALA 14 Cb 0.00 -3.83 0.01 0.00 0.00 0.00 0.00 23.12 19.30 2k8y s ALA 14 CO 0.00 -2.04 1.45 1.03 0.00 0.00 0.00 175.76 176.19 2k8y s ARG 15 N 4.22 3.56 -0.82 0.00 3.00 -0.64 -1.52 118.95 126.73 2k8y s ARG 15 Ca 0.47 0.99 -0.25 0.00 0.00 0.00 0.00 55.73 56.94 2k8y s ARG 15 Cb -0.09 -4.04 -0.05 0.00 0.00 0.00 0.00 34.95 30.78 2k8y s ARG 15 CO 0.27 -1.58 1.96 0.42 0.00 0.00 0.00 175.30 176.37 2k8y s ILE 16 N 5.54 3.39 0.05 1.52 -1.09 -1.26 -4.44 121.20 124.91 2k8y s ILE 16 Ca 0.63 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.85 2k8y s ILE 16 Cb -0.14 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 2k8y s ILE 16 CO 0.33 -0.87 0.08 0.54 -1.23 0.00 0.00 174.94 173.79 2k8y s ASN 17 N 8.30 5.59 0.61 3.58 6.03 -1.26 -4.88 114.94 132.91 2k8y s ASN 17 Ca 0.71 0.05 0.31 0.00 -1.03 0.00 0.00 52.86 52.89 2k8y s ASN 17 Cb -0.09 -1.54 1.73 0.00 -3.03 0.00 0.00 41.25 38.32 2k8y s ASN 17 CO 0.05 0.20 2.10 -0.55 -2.03 0.00 0.00 177.10 176.87 2k8y h ASN 18 N 3.54 0.00 -0.01 3.54 -1.07 -2.00 -2.98 115.58 116.60 2k8y h ASN 18 Ca -0.47 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 55.80 2k8y h ASN 18 Cb 1.17 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.40 2k8y h ASN 18 CO 0.65 0.00 -0.27 -0.33 0.07 0.00 0.00 177.43 177.55 2k8y h GLU 19 N 0.00 0.43 0.00 4.14 5.08 -1.98 -2.31 114.58 119.95 2k8y h GLU 19 Ca 0.07 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2k8y h GLU 19 Cb 0.49 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k8y h GLU 19 CO -0.00 0.67 0.00 -0.84 -1.00 0.00 0.00 179.01 177.84 2k8y h ILE 20 N 0.38 0.00 0.00 3.13 3.07 -1.90 -2.28 117.51 119.92 2k8y h ILE 20 Ca 0.05 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.40 2k8y h ILE 20 Cb 0.68 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 2k8y h ILE 20 CO 0.05 0.00 -1.44 0.33 -1.05 0.00 0.00 178.15 176.04 2k8y n PHE 21 N -2.31 0.00 0.22 0.16 7.35 -0.90 -4.50 117.46 117.48 2k8y n PHE 21 Ca -0.01 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.77 2k8y n PHE 21 Cb 0.09 -0.26 0.49 0.00 0.35 0.00 0.00 39.48 40.15 2k8y n PHE 21 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2k8y h ASN 22 N 0.00 0.00 0.74 -2.13 -1.24 -1.10 -2.95 115.58 108.90 2k8y h ASN 22 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k8y h ASN 22 Cb 0.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2k8y h ASN 22 CO 0.00 0.26 0.00 0.00 -1.29 0.00 0.00 177.43 176.40 2k8y n LEU 23 N -3.57 0.00 -1.06 0.34 -0.00 -1.22 -4.91 117.00 106.58 2k8y n LEU 23 Ca -0.01 0.45 -0.11 0.00 -0.00 0.00 0.00 56.01 56.33 2k8y n LEU 23 Cb 0.40 -0.45 -0.05 0.00 -0.00 0.00 0.00 43.42 43.32 2k8y n LEU 23 CO 0.34 -0.08 -0.11 0.61 -0.00 0.00 0.00 177.39 178.15 2k8y n GLY 24 N 0.95 1.09 3.91 1.47 0.00 -1.12 -4.97 105.19 106.53 2k8y n GLY 24 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 2k8y n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k8y s LEU 25 N -2.96 2.62 -0.71 0.99 1.43 -1.26 -5.00 118.68 113.78 2k8y s LEU 25 Ca 0.00 0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 53.49 2k8y s LEU 25 Cb 0.00 -3.15 0.06 0.00 0.03 0.00 0.00 46.19 43.12 2k8y s LEU 25 CO 0.00 -1.85 1.11 -0.54 0.23 0.00 0.00 176.35 175.30 2k8y s LYS 26 N -5.48 3.17 0.13 1.70 1.02 -1.26 -4.97 119.74 114.05 2k8y s LYS 26 Ca 0.62 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.87 2k8y s LYS 26 Cb -0.10 -4.26 0.01 0.00 -0.52 0.00 0.00 37.83 32.95 2k8y s LYS 26 CO 0.48 -1.96 0.31 -0.59 -0.92 0.00 0.00 175.35 172.67 2k8y s PHE 27 N 4.74 0.11 0.01 3.18 -0.71 -1.26 -4.40 117.98 119.64 2k8y s PHE 27 Ca 0.28 -0.48 -0.00 0.00 -1.04 0.00 0.00 56.93 55.69 2k8y s PHE 27 Cb -0.12 0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 2k8y s PHE 27 CO 0.11 -0.69 -0.01 -1.14 -1.34 0.00 0.00 175.22 172.15 2k8y s GLN 28 N -3.88 0.19 -0.07 1.99 -0.44 -0.46 -4.91 119.66 112.08 2k8y s GLN 28 Ca 0.09 -0.35 0.01 0.00 -2.50 0.00 0.00 55.36 52.60 2k8y s GLN 28 Cb 0.03 0.07 0.02 0.00 -1.64 0.00 0.00 33.01 31.48 2k8y s GLN 28 CO -0.07 -0.03 -0.08 0.42 0.50 0.00 0.00 175.29 176.03 2k8y s ILE 29 N -0.86 0.89 0.49 -2.34 1.01 -1.26 -0.92 121.20 118.20 2k8y s ILE 29 Ca -0.09 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.28 2k8y s ILE 29 Cb -0.06 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 2k8y s ILE 29 CO -0.01 0.31 0.01 -1.48 0.00 0.00 0.00 174.94 173.77 2k8y s LEU 30 N 1.01 2.40 0.17 2.97 0.05 -0.91 -3.54 118.68 120.84 2k8y s LEU 30 Ca -0.09 -1.60 -0.29 0.00 0.05 0.00 0.00 54.13 52.21 2k8y s LEU 30 Cb -0.15 -0.75 -0.08 0.00 -2.05 0.00 0.00 46.19 43.17 2k8y s LEU 30 CO -0.00 -0.77 0.90 0.21 -0.55 0.00 0.00 176.35 176.14 2k8y s ASN 31 N -3.83 7.52 0.00 1.48 2.47 -0.44 -0.67 114.94 121.46 2k8y s ASN 31 Ca 0.12 1.81 0.30 0.00 0.42 0.00 0.00 52.86 55.51 2k8y s ASN 31 Cb 0.03 -2.57 1.44 0.00 -1.45 0.00 0.00 41.25 38.70 2k8y s ASN 31 CO 0.06 0.10 1.97 0.00 -3.72 0.00 0.00 177.10 175.51 2k8y n ALA 32 N 1.97 2.68 -0.02 1.71 0.00 -0.75 -3.27 120.51 122.83 2k8y n ALA 32 Ca -0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 2k8y n ALA 32 Cb 0.48 -1.38 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 2k8y n ALA 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2k8y h ASP 33 N 0.66 0.01 1.02 0.00 3.32 -1.88 -3.37 116.42 116.17 2k8y h ASP 33 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2k8y h ASP 33 Cb 0.26 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2k8y h ASP 33 CO 0.00 1.02 -0.61 1.62 -1.72 0.00 0.00 179.24 179.55 2k8y h VAL 34 N 0.00 0.00 -3.11 -1.35 3.04 -1.91 -3.43 116.25 109.49 2k8y h VAL 34 Ca -0.28 -0.63 -0.60 0.00 -1.01 0.00 0.00 66.70 64.18 2k8y h VAL 34 Cb 2.01 1.25 -0.07 0.00 -2.01 0.00 0.00 31.29 32.47 2k8y h VAL 34 CO 0.08 0.00 -0.23 0.54 -1.01 0.00 0.00 177.57 176.96 2k8y s VAL 35 N -3.21 5.14 -0.02 1.51 0.11 -1.21 -4.92 120.40 117.80 2k8y s VAL 35 Ca 0.05 0.78 -0.04 0.00 -2.93 0.00 0.00 61.98 59.84 2k8y s VAL 35 Cb 0.12 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.25 2k8y s VAL 35 CO 0.72 0.49 0.37 0.00 -3.33 0.00 0.00 175.10 173.35 2k8y h ALA 36 N 5.49 -0.35 -2.46 1.54 0.00 -1.89 -3.46 119.26 118.14 2k8y h ALA 36 Ca -0.48 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.16 2k8y h ALA 36 Cb 1.20 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 2k8y h ALA 36 CO 0.67 -0.34 -0.63 0.95 0.00 0.00 0.00 179.25 179.90 2k8y s THR 37 N -2.03 0.20 0.63 0.00 -4.23 -1.26 -2.04 115.64 106.91 2k8y s THR 37 Ca -0.02 -1.97 0.35 0.00 -1.18 0.00 0.00 61.69 58.87 2k8y s THR 37 Cb 0.00 -2.32 0.38 0.00 1.34 0.00 0.00 72.50 71.90 2k8y s THR 37 CO 0.06 -0.21 2.21 0.07 -0.54 0.00 0.00 174.62 176.21 2k8y h LYS 38 N 2.67 0.00 -0.53 3.99 -0.00 -1.91 -1.29 116.57 119.51 2k8y h LYS 38 Ca -0.36 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.32 2k8y h LYS 38 Cb 1.23 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.43 2k8y h LYS 38 CO 0.57 0.00 0.35 -0.22 -0.00 0.00 0.00 179.45 180.15 2k8y h LYS 39 N 0.00 0.59 -0.53 0.07 3.64 -1.92 -1.36 116.57 117.07 2k8y h LYS 39 Ca 0.02 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2k8y h LYS 39 Cb 0.22 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2k8y h LYS 39 CO -0.00 0.39 0.33 1.25 -2.27 0.00 0.00 179.45 179.15 2k8y h HIS 40 N 0.61 0.68 0.18 1.91 2.76 -1.57 -2.22 115.15 117.50 2k8y h HIS 40 Ca 0.21 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2k8y h HIS 40 Cb 0.09 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.83 2k8y h HIS 40 CO -0.00 0.46 -0.09 0.28 -1.30 0.00 0.00 177.93 177.28 2k8y h VAL 41 N 0.71 0.93 0.00 5.26 2.07 -1.53 -3.11 116.25 120.59 2k8y h VAL 41 Ca 0.19 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2k8y h VAL 41 Cb -0.04 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2k8y h VAL 41 CO -0.04 0.17 -0.19 0.17 0.02 0.00 0.00 177.57 177.70 2k8y h LEU 42 N -0.62 0.00 -0.90 2.57 8.10 -1.24 0.70 115.31 123.92 2k8y h LEU 42 Ca -0.02 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.86 2k8y h LEU 42 Cb 0.46 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 2k8y h LEU 42 CO 0.04 0.19 -0.37 -0.74 -4.11 0.00 0.00 178.44 173.45 2k8y h HIS 43 N 0.00 0.40 -0.25 0.17 2.76 -1.50 -0.40 115.15 116.33 2k8y h HIS 43 Ca -0.00 -0.10 -0.18 0.00 -2.20 0.00 0.00 60.37 57.89 2k8y h HIS 43 Cb 0.38 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.25 2k8y h HIS 43 CO 0.00 0.68 -0.54 0.00 -1.30 0.00 0.00 177.93 176.77 2k8y h ALA 44 N 1.32 0.40 -0.58 5.26 0.00 -0.86 -1.97 119.26 122.84 2k8y h ALA 44 Ca 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2k8y h ALA 44 Cb 0.79 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2k8y h ALA 44 CO 0.06 0.61 0.33 0.82 0.00 0.00 0.00 179.25 181.07 2k8y h ILE 45 N 0.56 1.18 -0.45 0.00 2.04 -1.12 -1.56 117.51 118.17 2k8y h ILE 45 Ca 0.00 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.51 2k8y h ILE 45 Cb 1.15 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 2k8y h ILE 45 CO 0.12 0.19 0.03 -1.13 0.00 0.00 0.00 178.15 177.36 2k8y h ASN 46 N 0.78 -0.13 -0.25 1.72 -0.73 -0.99 0.28 115.58 116.26 2k8y h ASN 46 Ca 0.20 0.10 -0.05 0.00 1.87 0.00 0.00 56.30 58.42 2k8y h ASN 46 Cb 0.02 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 2k8y h ASN 46 CO -0.04 -0.03 0.02 1.56 -0.37 0.00 0.00 177.43 178.57 2k8y h GLN 47 N 0.14 0.55 0.00 6.67 1.08 -1.16 -1.09 115.11 121.30 2k8y h GLN 47 Ca 0.22 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.23 2k8y h GLN 47 Cb 0.32 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2k8y h GLN 47 CO -0.35 0.56 -0.38 0.00 -0.95 0.00 0.00 178.83 177.71 2k8y h ALA 48 N 1.50 0.94 0.08 3.87 0.00 -0.18 -1.79 119.26 123.68 2k8y h ALA 48 Ca 0.11 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2k8y h ALA 48 Cb 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k8y h ALA 48 CO 0.01 0.47 -0.93 0.87 0.00 0.00 0.00 179.25 179.67 2k8y h LYS 49 N 0.00 0.17 0.02 0.00 1.57 0.17 -3.41 116.57 115.09 2k8y h LYS 49 Ca -0.00 -0.29 -0.33 0.00 -1.87 0.00 0.00 60.65 58.15 2k8y h LYS 49 Cb 0.96 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.32 2k8y h LYS 49 CO 0.05 1.14 -2.02 -2.37 -0.57 0.00 0.00 179.45 175.68 2k8y n THR 50 N -4.20 1.56 -4.17 -0.16 5.66 -0.48 -4.96 114.28 107.54 2k8y n THR 50 Ca -0.20 -0.77 -0.22 0.00 -3.05 0.00 0.00 64.05 59.80 2k8y n THR 50 Cb 0.76 -1.01 -0.06 0.00 -1.55 0.00 0.00 70.33 68.47 2k8y n THR 50 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2k8y s LYS 51 N -2.55 2.59 -0.30 1.09 1.02 -0.67 -5.09 119.74 115.82 2k8y s LYS 51 Ca -0.11 -1.28 -0.02 0.00 0.02 0.00 0.00 55.97 54.57 2k8y s LYS 51 Cb 0.07 -2.34 0.12 0.00 -0.52 0.00 0.00 37.83 35.15 2k8y s LYS 51 CO 0.80 0.33 0.19 -1.59 -0.92 0.00 0.00 175.35 174.16 2k8y s LYS 52 N -3.78 0.27 0.00 1.68 -2.85 -1.26 -4.41 119.74 109.39 2k8y s LYS 52 Ca 0.33 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 2k8y s LYS 52 Cb -0.06 -1.01 0.00 0.00 -2.06 0.00 0.00 37.83 34.70 2k8y s LYS 52 CO 0.23 -1.05 0.00 -2.30 0.10 0.00 0.00 175.35 172.33 2k8y n PRO 53 N 5.13 0.00 -1.83 1.78 -0.02 -1.26 -4.97 135.00 133.83 2k8y n PRO 53 Ca -0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.44 2k8y n PRO 53 Cb 0.43 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 33.97 2k8y n PRO 53 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k8y n ILE 54 N 0.00 1.22 -2.24 4.25 5.41 -1.26 -5.11 119.36 121.63 2k8y n ILE 54 Ca 0.00 -2.54 -0.30 0.00 1.00 0.00 0.00 62.75 60.91 2k8y n ILE 54 Cb 0.00 0.51 -0.00 0.00 -0.71 0.00 0.00 39.64 39.44 2k8y n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k8y s ALA 55 N -2.37 3.19 0.06 -1.39 0.00 -1.26 -5.03 121.76 114.96 2k8y s ALA 55 Ca 0.35 -0.16 -0.36 0.00 0.00 0.00 0.00 51.96 51.79 2k8y s ALA 55 Cb 0.37 -2.93 -0.20 0.00 0.00 0.00 0.00 23.12 20.36 2k8y s ALA 55 CO -0.08 -0.47 1.53 0.87 0.00 0.00 0.00 175.76 177.62 2k8y h LYS 56 N 0.17 -1.26 -4.08 0.00 1.79 -1.94 -3.48 116.57 107.77 2k8y h LYS 56 Ca -0.45 0.09 -0.28 0.00 -2.18 0.00 0.00 60.65 57.83 2k8y h LYS 56 Cb 1.19 0.29 -0.07 0.00 -1.58 0.00 0.00 32.23 32.06 2k8y h LYS 56 CO 0.62 -0.84 -0.16 -1.12 -1.08 0.00 0.00 179.45 176.87 2k8y s SER 57 N -3.93 0.95 0.11 0.86 0.01 -1.26 -5.03 113.70 105.41 2k8y s SER 57 Ca -0.19 -1.50 -0.30 0.00 1.31 0.00 0.00 55.95 55.26 2k8y s SER 57 Cb 0.02 0.69 -0.10 0.00 0.21 0.00 0.00 66.02 66.83 2k8y s SER 57 CO 0.57 -1.34 1.60 0.15 0.41 0.00 0.00 173.24 174.63 2k8y h PHE 58 N 2.08 -1.08 -0.34 2.43 3.57 -1.93 0.23 116.94 121.90 2k8y h PHE 58 Ca -0.28 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.17 2k8y h PHE 58 Cb 1.24 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 40.41 2k8y h PHE 58 CO 1.57 -0.50 -0.10 -1.49 -2.23 0.00 0.00 178.31 175.57 2k8y h TRP 59 N -0.65 0.62 0.00 0.41 4.06 -1.98 -1.73 115.95 116.68 2k8y h TRP 59 Ca 0.02 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.87 2k8y h TRP 59 Cb 0.66 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 2k8y h TRP 59 CO -0.32 0.66 0.00 0.52 -3.56 0.00 0.00 178.44 175.74 2k8y h MET 60 N 0.53 0.00 0.15 0.49 2.86 -1.88 -2.84 114.93 114.25 2k8y h MET 60 Ca 0.10 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.44 2k8y h MET 60 Cb 0.49 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.18 2k8y h MET 60 CO 0.03 0.00 -1.29 1.49 1.06 0.00 0.00 176.91 178.20 2k8y h GLU 61 N 0.00 0.54 -0.90 1.72 4.81 0.12 -3.29 114.58 117.59 2k8y h GLU 61 Ca 0.00 -0.78 0.07 0.00 -0.13 0.00 0.00 59.36 58.51 2k8y h GLU 61 Cb 0.81 0.27 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 2k8y h GLU 61 CO 0.00 1.36 0.56 0.82 -0.73 0.00 0.00 179.01 181.02 2k8y h ILE 62 N 0.21 1.04 -0.07 2.32 2.04 -1.09 -0.65 117.51 121.32 2k8y h ILE 62 Ca -0.19 -0.35 -0.15 0.00 1.00 0.00 0.00 64.86 65.17 2k8y h ILE 62 Cb 1.97 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2k8y h ILE 62 CO 0.24 0.19 -0.61 0.17 0.00 0.00 0.00 178.15 178.14 2k8y h LEU 63 N 1.02 0.28 -0.03 1.44 8.10 -1.68 -2.30 115.31 122.15 2k8y h LEU 63 Ca 0.39 -0.16 -0.24 0.00 0.11 0.00 0.00 57.88 57.98 2k8y h LEU 63 Cb 0.19 -0.08 -0.00 0.00 -0.44 0.00 0.00 40.66 40.32 2k8y h LEU 63 CO -0.18 0.82 -1.09 -0.37 -4.11 0.00 0.00 178.44 173.52 2k8y h VAL 64 N 0.18 1.50 -0.31 0.15 -1.51 -1.48 -3.12 116.25 111.67 2k8y h VAL 64 Ca -0.01 -2.89 -0.17 0.00 -1.23 0.00 0.00 66.70 62.41 2k8y h VAL 64 Cb 1.11 2.74 -0.00 0.00 -2.13 0.00 0.00 31.29 33.01 2k8y h VAL 64 CO 0.09 0.84 -0.46 0.03 -1.23 0.00 0.00 177.57 176.85 2k8y h ARG 65 N 0.10 0.83 0.00 5.19 2.47 -1.10 -0.32 114.38 121.56 2k8y h ARG 65 Ca -0.09 -0.47 -0.06 0.00 -1.26 0.00 0.00 59.98 58.09 2k8y h ARG 65 Cb 1.78 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 30.13 2k8y h ARG 65 CO 0.17 1.11 -0.29 0.00 0.56 0.00 0.00 179.97 181.53 2k8y h ALA 66 N 0.81 1.41 -0.01 0.04 0.00 -1.51 -2.73 119.26 117.26 2k8y h ALA 66 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k8y h ALA 66 Cb 1.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2k8y h ALA 66 CO 0.10 0.36 -0.22 -1.13 0.00 0.00 0.00 179.25 178.36 2k8y n SER 67 N -4.02 1.43 -0.90 0.00 3.41 -1.13 -4.95 113.62 107.45 2k8y n SER 67 Ca -0.02 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.27 2k8y n SER 67 Cb 0.35 0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.40 2k8y n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k8y n GLY 68 N 1.32 1.15 3.78 5.00 0.00 -0.84 -4.94 105.19 110.66 2k8y n GLY 68 Ca 0.13 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2k8y n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k8y s GLN 69 N -2.94 2.86 0.12 1.61 2.00 -0.19 -4.89 119.66 118.24 2k8y s GLN 69 Ca 0.00 -0.76 0.13 0.00 -2.00 0.00 0.00 55.36 52.74 2k8y s GLN 69 Cb 0.00 -2.69 -0.11 0.00 0.80 0.00 0.00 33.01 31.01 2k8y s GLN 69 CO 0.00 0.54 1.06 0.07 -0.50 0.00 0.00 175.29 176.46 2k8y h ARG 70 N 3.02 0.00 -5.68 1.67 0.11 -1.95 -3.37 114.38 108.18 2k8y h ARG 70 Ca -0.47 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.02 2k8y h ARG 70 Cb 1.17 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.16 2k8y h ARG 70 CO 0.65 0.53 0.03 -0.65 0.10 0.00 0.00 179.97 180.63 2k8y s GLN 71 N -2.83 4.25 0.18 0.08 -1.52 -1.26 -4.74 119.66 113.81 2k8y s GLN 71 Ca -0.00 0.56 -0.13 0.00 -1.95 0.00 0.00 55.36 53.83 2k8y s GLN 71 Cb 0.09 -3.54 0.11 0.00 -0.22 0.00 0.00 33.01 29.45 2k8y s GLN 71 CO 0.80 -0.12 1.82 0.82 -0.25 0.00 0.00 175.29 178.36 2k8y h ILE 72 N 5.04 1.06 0.11 1.08 5.03 -1.91 -1.92 117.51 126.00 2k8y h ILE 72 Ca -0.35 -0.22 -0.01 0.00 -0.12 0.00 0.00 64.86 64.17 2k8y h ILE 72 Cb 1.16 0.36 0.00 0.00 -3.03 0.00 0.00 36.82 35.30 2k8y h ILE 72 CO 0.76 0.12 -0.05 0.45 -0.68 0.00 0.00 178.15 178.75 2k8y h HIS 73 N 0.65 -0.13 0.29 1.37 3.86 -1.97 -1.28 115.15 117.93 2k8y h HIS 73 Ca 0.22 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2k8y h HIS 73 Cb 0.02 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2k8y h HIS 73 CO -0.06 -0.04 -0.30 0.93 0.86 0.00 0.00 177.93 179.32 2k8y h GLU 74 N -0.19 -0.60 -0.91 2.45 4.39 -1.98 -2.99 114.58 114.74 2k8y h GLU 74 Ca -0.01 0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.78 2k8y h GLU 74 Cb 0.15 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 2k8y h GLU 74 CO 0.02 -0.40 0.60 0.00 -1.16 0.00 0.00 179.01 178.07 2k8y h ALA 75 N -0.05 1.48 -0.05 3.43 0.00 -1.17 0.10 119.26 123.00 2k8y h ALA 75 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2k8y h ALA 75 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k8y h ALA 75 CO -0.07 0.39 -0.43 0.82 0.00 0.00 0.00 179.25 179.96 2k8y h ILE 76 N 1.07 1.32 -0.08 0.00 2.04 -1.26 0.50 117.51 121.09 2k8y h ILE 76 Ca 0.39 -1.53 -0.15 0.00 1.00 0.00 0.00 64.86 64.56 2k8y h ILE 76 Cb 0.15 1.77 0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2k8y h ILE 76 CO -0.14 0.45 -0.54 0.11 0.00 0.00 0.00 178.15 178.03 2k8y h LYS 77 N 0.09 0.50 0.26 2.37 1.57 -1.06 -2.29 116.57 118.01 2k8y h LYS 77 Ca 0.01 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 2k8y h LYS 77 Cb 0.81 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.22 2k8y h LYS 77 CO 0.06 1.07 -0.12 0.82 -0.57 0.00 0.00 179.45 180.71 2k8y h ILE 78 N 0.07 0.00 -0.33 1.86 2.04 -0.92 -3.39 117.51 116.85 2k8y h ILE 78 Ca -0.05 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2k8y h ILE 78 Cb 1.20 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2k8y h ILE 78 CO 0.11 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.56 2k8y n ILE 79 N -3.46 0.61 -1.45 -0.67 -5.35 0.15 -5.01 119.36 104.17 2k8y n ILE 79 Ca -0.04 -0.80 -0.30 0.00 -0.27 0.00 0.00 62.75 61.34 2k8y n ILE 79 Cb 0.14 0.84 0.20 0.00 -1.74 0.00 0.00 39.64 39.07 2k8y n ILE 79 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k8y s GLY 80 N -1.16 1.65 0.28 3.28 0.00 -0.86 -1.33 107.32 109.17 2k8y s GLY 80 Ca 0.29 -0.93 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 2k8y s GLY 80 CO 0.23 -0.16 1.07 0.00 0.00 0.00 0.00 173.10 174.24 2k8y s ALA 81 N -3.35 3.38 -0.05 3.20 0.00 -1.23 -3.16 121.76 120.55 2k8y s ALA 81 Ca 0.70 0.84 -0.08 0.00 0.00 0.00 0.00 51.96 53.43 2k8y s ALA 81 Cb -0.09 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.74 2k8y s ALA 81 CO 0.55 -0.10 0.19 -1.59 0.00 0.00 0.00 175.76 174.81 2k8y s LYS 82 N -1.46 0.33 0.40 0.00 -2.85 -1.26 -4.95 119.74 109.95 2k8y s LYS 82 Ca 0.45 0.07 -0.27 0.00 -1.00 0.00 0.00 55.97 55.22 2k8y s LYS 82 Cb -0.30 0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.52 2k8y s LYS 82 CO 0.39 -0.06 1.41 0.16 0.10 0.00 0.00 175.35 177.35 2k8y s ASP 83 N -0.37 6.26 0.00 0.03 -4.77 -1.26 -4.42 116.67 112.14 2k8y s ASP 83 Ca -0.05 2.89 0.00 0.00 -3.30 0.00 0.00 52.55 52.09 2k8y s ASP 83 Cb -0.03 -2.66 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 2k8y s ASP 83 CO 0.01 -0.91 0.00 0.61 0.70 0.00 0.00 175.17 175.58 2k8y n GLY 84 N 0.58 0.32 3.58 2.12 0.00 -0.58 -4.93 105.19 106.28 2k8y n GLY 84 Ca 0.02 -1.22 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 2k8y n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k8y s ASN 85 N -4.00 6.57 0.31 1.61 0.02 -1.26 -0.91 114.94 117.27 2k8y s ASN 85 Ca 0.00 0.29 0.03 0.00 -1.02 0.00 0.00 52.86 52.17 2k8y s ASN 85 Cb 0.00 -2.49 -0.04 0.00 0.02 0.00 0.00 41.25 38.74 2k8y s ASN 85 CO 0.00 -1.13 0.15 0.68 0.02 0.00 0.00 177.10 176.82 2k8y s VAL 86 N 4.04 0.42 -0.09 1.60 -7.23 -0.71 -1.82 120.40 116.61 2k8y s VAL 86 Ca 0.42 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2k8y s VAL 86 Cb -0.09 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.35 2k8y s VAL 86 CO 0.28 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.01 2k8y s LEU 88 N 1.59 3.86 -0.21 0.00 2.96 -0.19 -2.13 118.68 124.56 2k8y s LEU 88 Ca 0.02 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2k8y s LEU 88 Cb -0.13 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 2k8y s LEU 88 CO -0.06 0.00 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.31 2k8y s ILE 89 N 1.41 3.53 0.23 6.68 1.01 -0.10 -1.96 121.20 132.01 2k8y s ILE 89 Ca 0.06 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 2k8y s ILE 89 Cb -0.15 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.74 2k8y s ILE 89 CO 0.06 0.43 0.53 0.00 0.00 0.00 0.00 174.94 175.97 2k8y n GLU 91 N -0.38 0.60 -4.69 0.00 1.02 -1.26 -0.81 120.64 115.12 2k8y n GLU 91 Ca -0.05 0.35 -0.33 0.00 -0.02 0.00 0.00 57.16 57.11 2k8y n GLU 91 Cb 0.62 -1.59 -0.12 0.00 -0.02 0.00 0.00 31.44 30.32 2k8y n GLU 91 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k8y s ASP 92 N -7.15 4.43 0.56 1.62 1.01 -1.26 -4.58 116.67 111.29 2k8y s ASP 92 Ca -0.34 -0.11 0.30 0.00 0.71 0.00 0.00 52.55 53.11 2k8y s ASP 92 Cb 0.11 -1.18 1.64 0.00 1.01 0.00 0.00 42.92 44.50 2k8y s ASP 92 CO 0.56 0.32 2.14 -0.08 0.21 0.00 0.00 175.17 178.32 2k8y h GLU 93 N 5.54 0.00 -0.21 8.23 4.81 -1.98 0.36 114.58 131.33 2k8y h GLU 93 Ca -0.44 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.73 2k8y h GLU 93 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2k8y h GLU 93 CO 0.53 0.07 -0.09 1.05 -0.73 0.00 0.00 179.01 179.84 2k8y h GLU 94 N 0.00 0.42 -0.14 1.92 4.11 -1.99 -0.87 114.58 118.04 2k8y h GLU 94 Ca -0.00 -0.18 -0.14 0.00 0.07 0.00 0.00 59.36 59.11 2k8y h GLU 94 Cb 0.23 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2k8y h GLU 94 CO 0.01 0.70 -0.53 1.15 0.07 0.00 0.00 179.01 180.41 2k8y h THR 95 N 0.13 1.34 0.22 -1.06 2.02 -1.83 -1.22 112.91 112.50 2k8y h THR 95 Ca 0.05 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.43 2k8y h THR 95 Cb 0.57 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2k8y h THR 95 CO 0.03 0.54 -0.10 0.15 0.37 0.00 0.00 175.52 176.51 2k8y h PHE 96 N 0.31 -0.27 -0.17 3.16 3.57 -0.88 -2.42 116.94 120.25 2k8y h PHE 96 Ca 0.01 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2k8y h PHE 96 Cb 1.03 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2k8y h PHE 96 CO 0.03 -0.11 -0.37 0.00 -2.23 0.00 0.00 178.31 175.64 2k8y h ARG 97 N -0.37 0.36 -0.97 1.11 3.08 -1.15 -0.63 114.38 115.81 2k8y h ARG 97 Ca -0.03 -0.16 0.08 0.00 0.07 0.00 0.00 59.98 59.94 2k8y h ARG 97 Cb 0.28 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 2k8y h ARG 97 CO 0.05 0.68 0.61 -0.22 -1.07 0.00 0.00 179.97 180.02 2k8y h LYS 98 N 0.31 1.04 -0.02 0.04 1.63 -1.10 -0.42 116.57 118.06 2k8y h LYS 98 Ca 0.03 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 2k8y h LYS 98 Cb 0.79 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 2k8y h LYS 98 CO 0.06 0.69 -0.11 0.82 -3.45 0.00 0.00 179.45 177.46 2k8y h ILE 99 N 1.07 1.51 -0.76 2.00 1.08 -1.04 -3.34 117.51 118.03 2k8y h ILE 99 Ca 0.44 -1.66 0.10 0.00 -0.39 0.00 0.00 64.86 63.35 2k8y h ILE 99 Cb 0.26 2.56 -0.07 0.00 -3.07 0.00 0.00 36.82 36.49 2k8y h ILE 99 CO -0.20 0.45 0.40 0.22 -0.69 0.00 0.00 178.15 178.32 2k8y h TYR 100 N -0.52 0.71 -0.92 1.37 3.20 -0.66 -2.05 116.97 118.10 2k8y h TYR 100 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2k8y h TYR 100 Cb 0.79 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.81 2k8y h TYR 100 CO 0.16 0.26 0.56 0.93 -1.64 0.00 0.00 178.16 178.42 2k8y h GLU 101 N 0.66 1.25 -0.15 1.82 4.39 -1.24 -1.39 114.58 119.93 2k8y h GLU 101 Ca 0.38 -0.11 -0.17 0.00 0.34 0.00 0.00 59.36 59.79 2k8y h GLU 101 Cb 0.40 -0.26 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2k8y h GLU 101 CO -0.27 0.88 -0.58 -0.07 -1.16 0.00 0.00 179.01 177.81 2k8y h LEU 102 N 1.27 0.76 -0.42 1.33 4.07 -1.51 -3.27 115.31 117.55 2k8y h LEU 102 Ca 0.33 -0.62 -0.18 0.00 0.08 0.00 0.00 57.88 57.50 2k8y h LEU 102 Cb -0.05 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 2k8y h LEU 102 CO -0.06 1.25 -0.78 0.16 -1.08 0.00 0.00 178.44 177.93 2k8y h ILE 103 N 0.32 1.46 -1.41 1.22 3.07 -1.35 -3.47 117.51 117.35 2k8y h ILE 103 Ca -0.03 -2.41 -0.25 0.00 1.55 0.00 0.00 64.86 63.73 2k8y h ILE 103 Cb 1.21 2.31 -0.04 0.00 -0.27 0.00 0.00 36.82 40.03 2k8y h ILE 103 CO 0.12 0.70 -0.29 0.61 -1.05 0.00 0.00 178.15 178.25 2k8y n GLY 104 N 0.66 0.28 0.23 0.16 0.00 -0.53 -1.63 105.19 104.36 2k8y n GLY 104 Ca -0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 2k8y n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8y n GLY 105 N -1.15 0.45 3.59 -0.02 0.00 -1.26 -4.85 105.19 101.95 2k8y n GLY 105 Ca -0.14 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 2k8y n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k8y s GLU 106 N -2.65 2.40 0.00 1.61 2.12 -0.26 -4.93 118.70 117.00 2k8y s GLU 106 Ca 0.04 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 2k8y s GLU 106 Cb -0.00 -2.43 -0.06 0.00 0.26 0.00 0.00 34.13 31.90 2k8y s GLU 106 CO 0.03 0.57 1.47 0.42 -0.54 0.00 0.00 175.26 177.20 2k8y s ILE 107 N -1.08 3.58 -0.34 -3.70 -1.09 -1.26 -0.29 121.20 117.02 2k8y s ILE 107 Ca 0.19 0.96 0.03 0.00 -2.23 0.00 0.00 60.65 59.59 2k8y s ILE 107 Cb -0.11 -3.61 0.10 0.00 -1.58 0.00 0.00 42.46 37.25 2k8y s ILE 107 CO 0.10 -0.01 0.06 -0.62 -1.23 0.00 0.00 174.94 173.24 2k8y s ASP 108 N 2.11 4.82 0.12 3.58 -1.08 -0.14 -4.79 116.67 121.29 2k8y s ASP 108 Ca 0.66 -2.06 -0.13 0.00 -0.52 0.00 0.00 52.55 50.49 2k8y s ASP 108 Cb -0.33 -1.65 -0.06 0.00 -1.46 0.00 0.00 42.92 39.42 2k8y s ASP 108 CO 0.27 -0.39 1.46 -2.24 0.52 0.00 0.00 175.17 174.79 2k8y h ASP 109 N 7.69 0.83 -0.16 -0.34 2.03 -1.94 -3.32 116.42 121.22 2k8y h ASP 109 Ca -0.07 -0.45 0.05 0.00 -0.73 0.00 0.00 57.03 55.83 2k8y h ASP 109 Cb 1.03 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.29 2k8y h ASP 109 CO 0.54 1.11 0.19 0.28 -1.03 0.00 0.00 179.24 180.33 2k8y h SER 110 N 0.57 0.00 0.92 4.15 0.02 -1.96 -0.60 113.55 116.64 2k8y h SER 110 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2k8y h SER 110 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2k8y h SER 110 CO 0.07 0.00 0.00 -0.37 -1.14 0.00 0.00 176.83 175.39 2k8y h VAL 111 N 0.00 0.00 -0.40 2.27 -1.51 -1.89 -2.79 116.25 111.94 2k8y h VAL 111 Ca 0.07 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 2k8y h VAL 111 Cb 0.46 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 2k8y h VAL 111 CO -0.00 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.52 2k8y n LEU 112 N -2.73 4.27 -0.00 4.19 4.77 -0.24 -4.58 117.00 122.68 2k8y n LEU 112 Ca 0.01 -2.75 0.03 0.00 -0.03 0.00 0.00 56.01 53.27 2k8y n LEU 112 Cb 0.28 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2k8y n LEU 112 CO 0.24 0.70 -0.05 -1.84 -1.33 0.00 0.00 177.39 175.11 2k8y n GLU 113 N 0.14 4.75 -0.25 3.23 0.28 -1.05 -3.35 120.64 124.39 2k8y n GLU 113 Ca 0.22 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 2k8y n GLU 113 Cb 0.89 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.96 2k8y n GLU 113 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 2k8y n ILE 114 N -1.17 -1.72 -3.24 3.84 0.00 -0.87 -4.92 119.36 111.29 2k8y n ILE 114 Ca 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 62.75 62.94 2k8y n ILE 114 Cb 0.10 -1.45 0.01 0.00 0.00 0.00 0.00 39.64 38.29 2k8y n ILE 114 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2k8y n ASN 115 N -0.29 -0.53 -0.06 9.51 6.94 -1.26 -5.03 115.26 124.54 2k8y n ASN 115 Ca 0.00 -1.39 -0.10 0.00 -0.02 0.00 0.00 54.58 53.06 2k8y n ASN 115 Cb 0.00 0.90 -0.04 0.00 -2.36 0.00 0.00 39.78 38.28 2k8y n ASN 115 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2k8y h GLU 116 N 0.00 0.30 -0.60 -3.83 5.08 -2.00 -0.36 114.58 113.17 2k8y h GLU 116 Ca -0.08 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2k8y h GLU 116 Cb 0.30 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2k8y h GLU 116 CO 0.10 0.32 0.39 -0.44 -1.00 0.00 0.00 179.01 178.39 2k8y h ASP 117 N 0.21 0.69 -0.61 1.42 3.32 -2.00 -1.97 116.42 117.47 2k8y h ASP 117 Ca 0.07 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2k8y h ASP 117 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2k8y h ASP 117 CO -0.01 0.50 0.41 0.11 -1.72 0.00 0.00 179.24 178.53 2k8y h LYS 118 N 0.81 0.81 0.00 3.56 6.56 -1.79 -3.26 116.57 123.26 2k8y h LYS 118 Ca 0.22 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.76 2k8y h LYS 118 Cb -0.09 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.39 2k8y h LYS 118 CO -0.05 0.53 -0.00 1.49 -2.06 0.00 0.00 179.45 179.37 2k8y h GLU 119 N 0.83 -0.00 0.35 3.15 4.81 -0.57 -3.01 114.58 120.14 2k8y h GLU 119 Ca 0.23 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2k8y h GLU 119 Cb -0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2k8y h GLU 119 CO -0.05 0.60 -0.17 0.00 -0.73 0.00 0.00 179.01 178.66 2k8y h ARG 120 N -0.60 -0.45 -0.22 1.92 3.08 -1.47 -3.19 114.38 113.45 2k8y h ARG 120 Ca -0.00 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 2k8y h ARG 120 Cb 0.60 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2k8y h ARG 120 CO 0.00 -0.16 -0.09 1.37 -1.07 0.00 0.00 179.97 180.01 2k8y h LEU 121 N -0.71 0.34 -1.74 3.04 8.10 -1.69 -2.37 115.31 120.27 2k8y h LEU 121 Ca -0.05 -0.07 0.17 0.00 0.11 0.00 0.00 57.88 58.04 2k8y h LEU 121 Cb 0.49 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 40.58 2k8y h LEU 121 CO 0.08 0.47 0.49 0.40 -4.11 0.00 0.00 178.44 175.77 2k8y h ILE 122 N 0.34 0.74 -0.47 0.15 2.04 -1.51 -1.21 117.51 117.58 2k8y h ILE 122 Ca 0.07 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 2k8y h ILE 122 Cb 0.38 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2k8y h ILE 122 CO 0.02 0.05 0.04 0.08 0.00 0.00 0.00 178.15 178.34 2k8y h ARG 123 N 0.25 0.75 0.65 2.37 0.11 -1.46 -2.35 114.38 114.70 2k8y h ARG 123 Ca 0.35 -0.18 -0.03 0.00 0.10 0.00 0.00 59.98 60.22 2k8y h ARG 123 Cb 1.02 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.00 2k8y h ARG 123 CO -0.08 0.73 -0.33 1.49 0.10 0.00 0.00 179.97 181.88 2k8y h GLU 124 N 0.71 -0.87 0.15 0.08 4.81 -1.35 -1.24 114.58 116.87 2k8y h GLU 124 Ca 0.15 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2k8y h GLU 124 Cb 0.38 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k8y h GLU 124 CO 0.01 -0.58 -0.07 -0.84 -0.73 0.00 0.00 179.01 176.80 2k8y h ILE 125 N -0.90 0.99 0.07 2.32 -2.65 -1.60 -3.36 117.51 112.38 2k8y h ILE 125 Ca -0.09 -0.98 -0.27 0.00 1.03 0.00 0.00 64.86 64.55 2k8y h ILE 125 Cb 0.70 1.56 -0.02 0.00 -2.05 0.00 0.00 36.82 37.01 2k8y h ILE 125 CO 0.13 0.22 -1.38 -0.26 0.03 0.00 0.00 178.15 176.89 2k8y h PHE 126 N -0.70 0.25 -5.19 0.16 0.04 -1.57 -3.49 116.94 106.44 2k8y h PHE 126 Ca -0.02 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 2k8y h PHE 126 Cb 0.51 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.66 2k8y h PHE 126 CO 0.07 1.20 -0.04 1.63 -0.60 0.00 0.00 178.31 180.57 2k8y n LYS 127 N -3.36 -1.26 -2.92 1.51 4.76 -0.47 -4.96 118.16 111.47 2k8y n LYS 127 Ca -0.11 1.40 -0.42 0.00 -2.87 0.00 0.00 58.31 56.30 2k8y n LYS 127 Cb 1.01 -5.45 -0.05 0.00 -1.84 0.00 0.00 35.03 28.71 2k8y n LYS 127 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2k8y s ILE 128 N -3.02 4.71 -0.21 -0.18 -1.09 -1.26 -4.95 121.20 115.21 2k8y s ILE 128 Ca 0.02 1.03 -0.00 0.00 -2.23 0.00 0.00 60.65 59.47 2k8y s ILE 128 Cb -0.00 -4.22 0.15 0.00 -1.58 0.00 0.00 42.46 36.80 2k8y s ILE 128 CO 0.69 -0.41 1.94 0.54 -1.23 0.00 0.00 174.94 176.47 2k8y n ARG 129 N 6.45 1.52 -3.64 2.79 5.12 -1.26 -4.85 116.66 122.79 2k8y n ARG 129 Ca 0.04 -1.04 -0.09 0.00 -1.93 0.00 0.00 57.85 54.83 2k8y n ARG 129 Cb 0.48 -1.41 -0.07 0.00 -1.16 0.00 0.00 32.46 30.31 2k8y n ARG 129 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2k8y s GLY 130 N 0.73 -0.18 0.35 -0.13 0.00 -1.26 -5.19 107.32 101.65 2k8y s GLY 130 Ca 0.20 2.64 0.02 0.00 0.00 0.00 0.00 44.72 47.58 2k8y s GLY 130 CO 0.00 1.85 0.48 0.69 0.00 0.00 0.00 173.10 176.12 2k8y n PHE 131 N 2.29 -2.99 0.00 1.90 3.72 -1.26 -5.01 117.46 116.12 2k8y n PHE 131 Ca -0.13 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.31 2k8y n PHE 131 Cb 0.56 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2k8y n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k8y n GLY 132 N 1.14 0.17 3.67 1.37 0.00 -1.26 -4.97 105.19 105.31 2k8y n GLY 132 Ca 0.08 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 2k8y n GLY 132 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k8y s ASN 133 N -4.00 6.60 0.47 1.61 2.47 -1.26 -4.98 114.94 115.85 2k8y s ASN 133 Ca 0.00 0.72 0.15 0.00 0.42 0.00 0.00 52.86 54.15 2k8y s ASN 133 Cb 0.00 -2.30 1.11 0.00 -1.45 0.00 0.00 41.25 38.61 2k8y s ASN 133 CO 0.00 -0.16 2.05 0.58 -3.72 0.00 0.00 177.10 175.85 2k8y h VAL 134 N 5.06 0.95 0.24 -5.21 2.07 -1.95 -1.53 116.25 115.88 2k8y h VAL 134 Ca -0.35 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2k8y h VAL 134 Cb 1.16 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2k8y h VAL 134 CO 0.75 0.05 -0.11 0.58 0.02 0.00 0.00 177.57 178.85 2k8y h VAL 135 N 0.26 0.83 -0.27 2.57 2.07 -1.96 -0.61 116.25 119.14 2k8y h VAL 135 Ca 0.16 -0.63 -0.15 0.00 0.82 0.00 0.00 66.70 66.91 2k8y h VAL 135 Cb 0.31 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k8y h VAL 135 CO -0.03 0.13 -0.44 -0.33 0.02 0.00 0.00 177.57 176.92 2k8y h GLU 136 N -0.65 0.67 0.00 1.57 4.39 -1.97 -2.76 114.58 115.83 2k8y h GLU 136 Ca -0.03 -0.37 -0.17 0.00 0.34 0.00 0.00 59.36 59.13 2k8y h GLU 136 Cb 0.46 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2k8y h GLU 136 CO 0.05 0.98 -0.80 -0.09 -1.16 0.00 0.00 179.01 177.99 2k8y h ARG 137 N 0.54 0.00 -0.09 2.33 9.65 -1.24 -0.18 114.38 125.38 2k8y h ARG 137 Ca 0.04 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.72 2k8y h ARG 137 Cb 0.98 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2k8y h ARG 137 CO 0.09 0.80 -0.75 -0.24 2.80 0.00 0.00 179.97 182.67 2k8y h VAL 138 N 0.00 1.36 -0.79 0.20 3.04 -1.15 -1.87 116.25 117.04 2k8y h VAL 138 Ca -0.01 -2.11 0.00 0.00 -1.01 0.00 0.00 66.70 63.57 2k8y h VAL 138 Cb 1.46 2.09 -0.04 0.00 -2.01 0.00 0.00 31.29 32.80 2k8y h VAL 138 CO 0.10 0.64 0.50 -0.07 -1.01 0.00 0.00 177.57 177.73 2k8y h LEU 139 N 0.33 0.93 0.12 3.16 4.07 -1.28 -0.60 115.31 122.05 2k8y h LEU 139 Ca -0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2k8y h LEU 139 Cb 1.34 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.84 2k8y h LEU 139 CO 0.13 0.70 -0.07 -0.33 -1.08 0.00 0.00 178.44 177.80 2k8y h GLU 140 N 1.09 -0.18 -0.08 1.13 4.39 -0.93 -2.72 114.58 117.29 2k8y h GLU 140 Ca 0.29 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2k8y h GLU 140 Cb -0.07 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2k8y h GLU 140 CO -0.06 -0.12 0.04 -0.22 -1.16 0.00 0.00 179.01 177.50 2k8y h LYS 141 N -0.19 0.10 0.00 2.33 1.63 -0.84 0.11 116.57 119.72 2k8y h LYS 141 Ca -0.01 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.70 2k8y h LYS 141 Cb 0.16 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2k8y h LYS 141 CO 0.01 0.13 -0.39 -0.84 -3.45 0.00 0.00 179.45 174.92 2k8y h ILE 142 N 0.05 1.04 0.05 2.00 3.07 -1.21 -2.16 117.51 120.34 2k8y h ILE 142 Ca 0.03 -1.45 -0.24 0.00 1.55 0.00 0.00 64.86 64.75 2k8y h ILE 142 Cb 0.05 1.84 -0.02 0.00 -0.27 0.00 0.00 36.82 38.42 2k8y h ILE 142 CO -0.00 0.38 -1.16 0.00 -1.05 0.00 0.00 178.15 176.32 2k8y h ALA 143 N 1.61 0.29 0.00 0.16 0.00 -1.30 -3.35 119.26 116.68 2k8y h ALA 143 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2k8y h ALA 143 Cb 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k8y h ALA 143 CO 0.05 1.18 0.00 -0.11 0.00 0.00 0.00 179.25 180.37 2k8y n LEU 144 N -3.40 0.00 -0.11 0.00 7.94 0.38 0.26 117.00 122.06 2k8y n LEU 144 Ca -0.05 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.61 2k8y n LEU 144 Cb 0.98 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.85 2k8y n LEU 144 CO 0.49 0.00 -1.26 -0.38 -1.11 0.00 0.00 177.39 175.13 2k8y n ILE 145 N -0.85 1.30 1.23 1.96 5.41 -1.23 -3.73 119.36 123.45 2k8y n ILE 145 Ca 0.10 -0.30 0.13 0.00 1.00 0.00 0.00 62.75 63.68 2k8y n ILE 145 Cb 0.05 -1.85 0.30 0.00 -0.71 0.00 0.00 39.64 37.43 2k8y n ILE 145 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2k8y n GLU 146 N -4.07 1.25 -3.10 0.38 2.13 -1.11 -4.18 120.64 111.95 2k8y n GLU 146 Ca -0.44 -0.85 -0.16 0.00 0.66 0.00 0.00 57.16 56.37 2k8y n GLU 146 Cb 0.80 -1.48 -0.01 0.00 0.27 0.00 0.00 31.44 31.02 2k8y n GLU 146 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2k8y n LEU 147 N -0.13 0.14 -4.52 4.31 7.94 0.14 -5.11 117.00 119.76 2k8y n LEU 147 Ca 0.13 -4.72 -0.31 0.00 -1.11 0.00 0.00 56.01 50.00 2k8y n LEU 147 Cb 0.40 0.76 0.19 0.00 0.53 0.00 0.00 43.42 45.30 2k8y n LEU 147 CO 0.23 2.23 0.35 2.29 -1.11 0.00 0.00 177.39 181.39 2k8y n LYS 148 N 0.37 -1.17 0.00 1.96 2.85 -1.24 -4.10 118.16 116.83 2k8y n LYS 148 Ca 0.21 -0.30 0.06 0.00 -1.05 0.00 0.00 58.31 57.23 2k8y n LYS 148 Cb 0.66 -2.15 0.02 0.00 -0.65 0.00 0.00 35.03 32.91 2k8y n LYS 148 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2k8y n LYS 149 N -3.78 1.47 0.00 -1.58 3.00 -1.26 -5.02 118.16 110.99 2k8y n LYS 149 Ca 0.07 -0.90 0.15 0.00 -0.00 0.00 0.00 58.31 57.63 2k8y n LYS 149 Cb 0.54 -1.18 0.90 0.00 0.00 0.00 0.00 35.03 35.29 2k8y n LYS 149 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79