#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 -2.26 -0.38 4.61 0.00 -1.26 -5.13 121.76 117.34 2k8y s ALA 2 Ca 0.00 2.19 0.03 0.00 0.00 0.00 0.00 51.96 54.17 2k8y s ALA 2 Cb 0.00 -1.92 0.16 0.00 0.00 0.00 0.00 23.12 21.36 2k8y s ALA 2 CO 0.00 -1.01 0.34 -1.64 0.00 0.00 0.00 175.76 173.45 2k8y s MET 3 N 2.80 0.69 -0.29 0.00 1.00 -1.26 -5.04 119.30 117.20 2k8y s MET 3 Ca -0.01 -1.25 -0.02 0.00 0.00 0.00 0.00 55.69 54.40 2k8y s MET 3 Cb -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 34.83 33.74 2k8y s MET 3 CO -0.19 -1.25 0.04 -3.47 0.00 0.00 0.00 175.02 170.16 2k8y n ASP 4 N 3.84 -6.72 0.05 3.03 2.03 -1.26 -5.01 116.55 112.50 2k8y n ASP 4 Ca 0.15 1.43 -0.22 0.00 0.52 0.00 0.00 54.79 56.68 2k8y n ASP 4 Cb 0.44 -5.34 -0.14 0.00 -0.72 0.00 0.00 41.12 35.35 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 3.23 0.32 -5.92 -0.67 0.13 -1.96 -3.49 132.00 123.65 2k8y h PRO 5 Ca -0.10 -0.54 -0.57 0.00 -0.87 0.00 0.00 66.00 63.92 2k8y h PRO 5 Cb 0.22 0.20 -0.06 0.00 0.13 0.00 0.00 31.00 31.50 2k8y h PRO 5 CO 0.08 1.26 -0.36 -1.64 -0.23 0.00 0.00 178.00 177.12 2k8y s MET 6 N -2.49 2.29 -0.50 0.86 -1.94 -1.26 -5.01 119.30 111.24 2k8y s MET 6 Ca -0.16 -1.95 -0.16 0.00 -1.71 0.00 0.00 55.69 51.71 2k8y s MET 6 Cb 0.03 -2.09 0.08 0.00 2.01 0.00 0.00 34.83 34.87 2k8y s MET 6 CO 0.82 -0.46 0.47 0.42 -0.01 0.00 0.00 175.02 176.26 2k8y s ILE 7 N -2.71 5.15 -0.22 2.53 1.01 -0.19 -4.95 121.20 121.81 2k8y s ILE 7 Ca 0.35 -1.06 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 2k8y s ILE 7 Cb -0.01 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2k8y s ILE 7 CO 0.21 -0.71 0.01 -0.63 0.00 0.00 0.00 174.94 173.82 2k8y s ILE 8 N 1.86 3.93 0.10 2.92 1.09 -1.26 -1.42 121.20 128.42 2k8y s ILE 8 Ca 0.06 -0.31 0.07 0.00 -1.10 0.00 0.00 60.65 59.37 2k8y s ILE 8 Cb -0.25 -2.80 -0.03 0.00 -1.06 0.00 0.00 42.46 38.32 2k8y s ILE 8 CO 0.07 0.40 -0.17 -0.13 -0.10 0.00 0.00 174.94 175.01 2k8y s ARG 9 N 1.28 1.00 -0.21 2.79 1.81 -0.08 -4.95 118.95 120.59 2k8y s ARG 9 Ca 0.04 -1.10 -0.08 0.00 -1.72 0.00 0.00 55.73 52.87 2k8y s ARG 9 Cb -0.15 -1.10 -0.04 0.00 -0.45 0.00 0.00 34.95 33.22 2k8y s ARG 9 CO 0.01 0.25 0.07 0.20 -0.68 0.00 0.00 175.30 175.15 2k8y s GLY 10 N -1.96 1.86 -0.04 -3.53 0.00 -1.26 -1.07 107.32 101.33 2k8y s GLY 10 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.89 2k8y s GLY 10 CO 0.03 0.24 -0.08 -1.50 0.00 0.00 0.00 173.10 171.80 2k8y s ILE 11 N 0.84 0.73 -0.13 0.90 2.07 -0.91 -0.94 121.20 123.76 2k8y s ILE 11 Ca 0.04 -0.28 -0.03 0.00 -1.41 0.00 0.00 60.65 58.96 2k8y s ILE 11 Cb -0.14 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 2k8y s ILE 11 CO 0.02 0.25 -0.02 0.00 -1.91 0.00 0.00 174.94 173.29 2k8y s ARG 12 N 0.53 3.44 0.00 3.50 1.70 -0.19 -1.96 118.95 125.97 2k8y s ARG 12 Ca -0.08 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.71 2k8y s ARG 12 Cb -0.12 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.37 2k8y s ARG 12 CO 0.01 0.42 0.00 0.41 -1.08 0.00 0.00 175.30 175.05 2k8y n GLY 13 N 3.02 1.04 3.62 3.88 0.00 -0.14 -1.82 105.19 114.78 2k8y n GLY 13 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.56 2.96 -0.43 4.61 0.00 -0.43 -4.18 121.76 121.73 2k8y s ALA 14 Ca 0.00 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 2k8y s ALA 14 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 19.11 2k8y s ALA 14 CO 0.00 -2.46 1.53 1.03 0.00 0.00 0.00 175.76 175.86 2k8y s ARG 15 N 5.81 3.41 -0.79 0.00 1.81 -0.77 -1.38 118.95 127.04 2k8y s ARG 15 Ca 0.96 0.95 -0.25 0.00 -1.72 0.00 0.00 55.73 55.66 2k8y s ARG 15 Cb -0.35 -4.10 -0.03 0.00 -0.45 0.00 0.00 34.95 30.02 2k8y s ARG 15 CO 0.37 -1.77 1.86 0.42 -0.68 0.00 0.00 175.30 175.49 2k8y s ILE 16 N 6.11 3.45 0.19 1.52 -1.09 -1.26 -4.46 121.20 125.65 2k8y s ILE 16 Ca 0.64 -0.15 -0.07 0.00 -2.23 0.00 0.00 60.65 58.85 2k8y s ILE 16 Cb -0.15 -4.08 -0.06 0.00 -1.58 0.00 0.00 42.46 36.59 2k8y s ILE 16 CO 0.31 -1.03 0.46 0.54 -1.23 0.00 0.00 174.94 173.99 2k8y s ASN 17 N 7.72 6.54 0.00 3.58 6.03 -1.26 -4.86 114.94 132.69 2k8y s ASN 17 Ca 0.66 0.73 0.30 0.00 -1.03 0.00 0.00 52.86 53.52 2k8y s ASN 17 Cb -0.09 -2.15 1.42 0.00 -3.03 0.00 0.00 41.25 37.41 2k8y s ASN 17 CO 0.07 -0.02 1.98 0.59 -2.03 0.00 0.00 177.10 177.70 2k8y n ASN 18 N -0.09 0.24 -0.22 3.54 3.02 -1.26 -3.82 115.26 116.67 2k8y n ASN 18 Ca -0.01 -0.45 -0.09 0.00 -0.03 0.00 0.00 54.58 54.00 2k8y n ASN 18 Cb 0.52 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 2k8y n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2k8y h GLU 19 N 0.29 1.09 0.00 3.52 4.39 -1.99 -2.72 114.58 119.16 2k8y h GLU 19 Ca 0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2k8y h GLU 19 Cb 0.29 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2k8y h GLU 19 CO 0.00 1.04 0.00 0.44 -1.16 0.00 0.00 179.01 179.33 2k8y n ILE 20 N -4.19 0.74 -0.04 3.13 -5.35 -1.25 -3.22 119.36 109.18 2k8y n ILE 20 Ca 0.03 0.18 -0.14 0.00 -0.27 0.00 0.00 62.75 62.56 2k8y n ILE 20 Cb 0.33 -0.92 -0.14 0.00 -1.74 0.00 0.00 39.64 37.18 2k8y n ILE 20 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2k8y n PHE 21 N -1.39 0.75 1.66 4.28 3.01 -1.03 -4.38 117.46 120.36 2k8y n PHE 21 Ca 0.06 0.22 0.14 0.00 1.01 0.00 0.00 57.45 58.87 2k8y n PHE 21 Cb 0.15 -1.12 0.64 0.00 -0.01 0.00 0.00 39.48 39.15 2k8y n PHE 21 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 2k8y n ASN 22 N -3.15 0.96 -0.05 4.37 0.23 -1.20 -3.55 115.26 112.88 2k8y n ASN 22 Ca -0.28 -1.36 0.15 0.00 -0.53 0.00 0.00 54.58 52.55 2k8y n ASN 22 Cb 1.06 -0.01 0.75 0.00 -2.08 0.00 0.00 39.78 39.50 2k8y n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k8y n LEU 23 N -0.23 0.19 0.00 -4.53 -0.00 -1.25 -4.94 117.00 106.24 2k8y n LEU 23 Ca 0.20 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.32 2k8y n LEU 23 Cb 0.26 -0.18 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 2k8y n LEU 23 CO 0.16 0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 2k8y n GLY 24 N 1.22 1.64 3.71 1.47 0.00 -1.23 -4.99 105.19 107.01 2k8y n GLY 24 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 2.94 -0.66 0.99 1.43 -1.26 -4.94 118.68 117.18 2k8y s LEU 25 Ca 0.00 2.04 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 2k8y s LEU 25 Cb 0.00 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.73 2k8y s LEU 25 CO 0.00 -2.63 1.01 -0.54 0.23 0.00 0.00 176.35 174.42 2k8y s LYS 26 N -4.73 3.15 0.13 1.70 3.01 -1.26 -4.97 119.74 116.77 2k8y s LYS 26 Ca 0.65 -0.67 -0.11 0.00 -1.01 0.00 0.00 55.97 54.83 2k8y s LYS 26 Cb -0.21 -4.20 0.00 0.00 -1.01 0.00 0.00 37.83 32.42 2k8y s LYS 26 CO 0.57 -1.83 0.29 -0.59 0.51 0.00 0.00 175.35 174.30 2k8y s PHE 27 N 4.32 0.17 0.01 3.18 -0.71 -1.26 -3.89 117.98 119.80 2k8y s PHE 27 Ca 0.25 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.60 2k8y s PHE 27 Cb -0.15 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.68 2k8y s PHE 27 CO 0.12 -0.67 -0.03 -1.14 -1.34 0.00 0.00 175.22 172.16 2k8y s GLN 28 N -3.90 0.25 -0.08 1.99 0.74 -0.23 -4.97 119.66 113.46 2k8y s GLN 28 Ca 0.10 -0.38 0.01 0.00 0.05 0.00 0.00 55.36 55.14 2k8y s GLN 28 Cb 0.03 -0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.12 2k8y s GLN 28 CO -0.06 -0.00 -0.09 0.42 -0.55 0.00 0.00 175.29 175.01 2k8y s ILE 29 N -0.81 0.99 0.44 -2.34 1.01 -1.26 -1.02 121.20 118.21 2k8y s ILE 29 Ca -0.08 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2k8y s ILE 29 Cb -0.06 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2k8y s ILE 29 CO -0.00 0.34 0.03 -1.48 0.00 0.00 0.00 174.94 173.82 2k8y s LEU 30 N 1.07 2.44 0.10 2.97 0.05 -1.10 -3.76 118.68 120.46 2k8y s LEU 30 Ca -0.07 -1.52 -0.28 0.00 0.05 0.00 0.00 54.13 52.31 2k8y s LEU 30 Cb -0.14 -0.66 -0.06 0.00 -2.05 0.00 0.00 46.19 43.27 2k8y s LEU 30 CO -0.01 -0.69 0.87 0.21 -0.55 0.00 0.00 176.35 176.18 2k8y s ASN 31 N -3.73 7.40 0.00 1.48 2.47 -0.27 -1.22 114.94 121.07 2k8y s ASN 31 Ca 0.22 1.67 0.22 0.00 0.42 0.00 0.00 52.86 55.39 2k8y s ASN 31 Cb 0.06 -2.54 0.99 0.00 -1.45 0.00 0.00 41.25 38.31 2k8y s ASN 31 CO 0.11 0.00 1.68 0.00 -3.72 0.00 0.00 177.10 175.17 2k8y n ALA 32 N 2.61 2.57 0.06 1.71 0.00 -0.72 -3.27 120.51 123.46 2k8y n ALA 32 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.93 2k8y n ALA 32 Cb 0.49 -1.20 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 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 1.36 0.32 0.13 0.00 5.19 -1.92 -3.36 116.42 118.13 2k8y h ASP 33 Ca 0.00 -0.44 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2k8y h ASP 33 Cb 0.30 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2k8y h ASP 33 CO 0.00 1.36 -0.31 0.55 -3.12 0.00 0.00 179.24 177.72 2k8y n VAL 34 N -3.41 0.00 -3.60 -1.35 3.14 -1.20 -4.43 118.33 107.47 2k8y n VAL 34 Ca -0.15 -0.19 -0.37 0.00 -2.96 0.00 0.00 64.34 60.67 2k8y n VAL 34 Cb 1.03 0.73 -0.07 0.00 -1.06 0.00 0.00 33.84 34.48 2k8y n VAL 34 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2k8y s VAL 35 N -2.45 5.29 -0.05 1.55 0.11 -1.23 -4.89 120.40 118.73 2k8y s VAL 35 Ca 0.23 0.54 -0.03 0.00 -2.93 0.00 0.00 61.98 59.79 2k8y s VAL 35 Cb 0.19 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.43 2k8y s VAL 35 CO 0.52 0.48 0.16 0.00 -3.33 0.00 0.00 175.10 172.93 2k8y h ALA 36 N 5.87 -0.15 -2.35 1.54 0.00 -1.88 -3.47 119.26 118.82 2k8y h ALA 36 Ca -0.46 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.10 2k8y h ALA 36 Cb 1.19 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 2k8y h ALA 36 CO 0.69 -0.14 -0.62 0.95 0.00 0.00 0.00 179.25 180.12 2k8y s THR 37 N -1.74 0.51 0.61 0.00 -4.23 -1.26 -2.10 115.64 107.43 2k8y s THR 37 Ca -0.01 -1.99 0.31 0.00 -1.18 0.00 0.00 61.69 58.81 2k8y s THR 37 Cb 0.00 -2.52 0.36 0.00 1.34 0.00 0.00 72.50 71.69 2k8y s THR 37 CO 0.04 -0.10 2.11 0.07 -0.54 0.00 0.00 174.62 176.21 2k8y h LYS 38 N 2.48 0.00 0.00 3.99 -0.00 -1.89 -1.11 116.57 120.04 2k8y h LYS 38 Ca -0.38 0.00 -0.03 0.00 -0.00 0.00 0.00 60.65 60.25 2k8y h LYS 38 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.46 2k8y h LYS 38 CO 0.60 0.00 -0.13 -0.22 -0.00 0.00 0.00 179.45 179.70 2k8y h LYS 39 N 0.00 0.00 -0.54 0.07 3.64 -1.96 -1.67 116.57 116.12 2k8y h LYS 39 Ca 0.06 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2k8y h LYS 39 Cb 0.46 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2k8y h LYS 39 CO -0.00 0.13 0.34 1.25 -2.27 0.00 0.00 179.45 178.90 2k8y h HIS 40 N 0.00 0.64 0.10 1.91 2.76 -1.57 -1.49 115.15 117.50 2k8y h HIS 40 Ca -0.00 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2k8y h HIS 40 Cb 0.25 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2k8y h HIS 40 CO 0.00 0.38 -0.05 0.28 -1.30 0.00 0.00 177.93 177.25 2k8y h VAL 41 N 0.69 1.13 -0.42 5.26 2.07 -1.57 -3.06 116.25 120.35 2k8y h VAL 41 Ca 0.21 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 2k8y h VAL 41 Cb -0.03 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2k8y h VAL 41 CO -0.07 0.26 -0.06 0.17 0.02 0.00 0.00 177.57 177.90 2k8y h LEU 42 N -0.68 0.69 -0.89 2.57 8.10 -1.30 -0.10 115.31 123.70 2k8y h LEU 42 Ca -0.01 -0.18 0.05 0.00 0.11 0.00 0.00 57.88 57.85 2k8y h LEU 42 Cb 0.53 -0.18 -0.06 0.00 -0.44 0.00 0.00 40.66 40.51 2k8y h LEU 42 CO 0.02 0.80 0.57 -0.74 -4.11 0.00 0.00 178.44 174.97 2k8y h HIS 43 N 0.66 1.05 -0.24 0.17 2.76 -1.41 -1.47 115.15 116.67 2k8y h HIS 43 Ca 0.12 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 2k8y h HIS 43 Cb 0.49 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2k8y h HIS 43 CO 0.02 0.56 -0.26 0.00 -1.30 0.00 0.00 177.93 176.96 2k8y h ALA 44 N 1.40 1.11 -0.25 5.26 0.00 -0.96 -0.15 119.26 125.67 2k8y h ALA 44 Ca 0.38 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2k8y h ALA 44 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k8y h ALA 44 CO -0.15 0.55 0.02 0.82 0.00 0.00 0.00 179.25 180.49 2k8y h ILE 45 N 0.41 1.24 -0.33 0.00 2.04 -0.90 -0.68 117.51 119.30 2k8y h ILE 45 Ca 0.06 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.08 2k8y h ILE 45 Cb 0.67 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2k8y h ILE 45 CO 0.05 0.27 0.20 0.78 0.00 0.00 0.00 178.15 179.45 2k8y h ASN 46 N 0.22 0.33 -0.52 1.72 2.35 -1.04 -1.75 115.58 116.90 2k8y h ASN 46 Ca 0.07 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 2k8y h ASN 46 Cb 0.38 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2k8y h ASN 46 CO 0.01 0.24 0.27 1.56 -1.65 0.00 0.00 177.43 177.86 2k8y h GLN 47 N 0.41 0.78 -0.75 0.81 1.08 -1.01 -2.17 115.11 114.25 2k8y h GLN 47 Ca 0.13 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2k8y h GLN 47 Cb -0.01 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 2k8y h GLN 47 CO -0.05 0.60 0.25 0.00 -0.95 0.00 0.00 178.83 178.68 2k8y h ALA 48 N 1.52 0.99 0.00 3.87 0.00 -0.71 0.12 119.26 125.04 2k8y h ALA 48 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k8y h ALA 48 Cb 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 2k8y h ALA 48 CO -0.03 0.66 -0.03 0.87 0.00 0.00 0.00 179.25 180.72 2k8y h LYS 49 N 1.12 0.00 0.00 0.00 1.57 -0.70 -3.32 116.57 115.24 2k8y h LYS 49 Ca 0.25 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.74 2k8y h LYS 49 Cb 0.29 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2k8y h LYS 49 CO -0.01 0.03 -2.08 -2.37 -0.57 0.00 0.00 179.45 174.45 2k8y n THR 50 N -3.11 1.09 -4.88 -0.16 5.66 -1.01 -5.00 114.28 106.87 2k8y n THR 50 Ca 0.03 -0.45 -0.33 0.00 -3.05 0.00 0.00 64.05 60.26 2k8y n THR 50 Cb 0.47 -1.11 -0.14 0.00 -1.55 0.00 0.00 70.33 68.01 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 -2.38 2.81 -0.27 1.09 -0.14 0.03 -5.11 119.74 115.77 2k8y s LYS 51 Ca -0.24 -0.71 -0.06 0.00 -1.36 0.00 0.00 55.97 53.61 2k8y s LYS 51 Cb 0.06 -2.45 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 2k8y s LYS 51 CO 0.46 0.47 0.04 -1.59 -0.76 0.00 0.00 175.35 173.97 2k8y s LYS 52 N -0.32 3.19 0.00 1.68 0.00 -1.26 -4.18 119.74 118.85 2k8y s LYS 52 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 55.97 55.22 2k8y s LYS 52 Cb -0.13 -3.25 0.00 0.00 0.00 0.00 0.00 37.83 34.45 2k8y s LYS 52 CO 0.03 -0.36 0.00 -0.35 0.00 0.00 0.00 175.35 174.67 2k8y n PRO 53 N 4.84 3.60 -1.77 1.78 -0.04 -1.26 -4.99 135.00 137.15 2k8y n PRO 53 Ca -0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.01 2k8y n PRO 53 Cb 0.49 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.99 2k8y n PRO 53 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2k8y n ILE 54 N 0.00 3.04 -2.60 0.52 5.41 -1.26 -5.05 119.36 119.42 2k8y n ILE 54 Ca 0.00 -3.77 -0.33 0.00 1.00 0.00 0.00 62.75 59.65 2k8y n ILE 54 Cb 0.00 -1.17 -0.05 0.00 -0.71 0.00 0.00 39.64 37.72 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 -3.72 2.96 -0.22 -1.39 0.00 -1.26 -4.87 121.76 113.25 2k8y s ALA 55 Ca 0.56 0.45 0.19 0.00 0.00 0.00 0.00 51.96 53.16 2k8y s ALA 55 Cb 0.45 -3.19 0.05 0.00 0.00 0.00 0.00 23.12 20.43 2k8y s ALA 55 CO -0.03 -0.15 1.22 0.87 0.00 0.00 0.00 175.76 177.66 2k8y h LYS 56 N 1.54 0.00 -2.91 0.00 1.79 -1.95 -3.49 116.57 111.54 2k8y h LYS 56 Ca -0.49 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.03 2k8y h LYS 56 Cb 1.20 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.82 2k8y h LYS 56 CO 0.60 0.24 0.29 0.45 -1.08 0.00 0.00 179.45 179.95 2k8y s SER 57 N -5.98 -0.14 0.10 0.86 0.15 -1.26 -5.01 113.70 102.42 2k8y s SER 57 Ca 0.02 -0.80 -0.16 0.00 0.70 0.00 0.00 55.95 55.71 2k8y s SER 57 Cb 0.08 0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 2k8y s SER 57 CO 0.76 -1.42 1.52 0.15 1.20 0.00 0.00 173.24 175.45 2k8y h PHE 58 N 2.00 0.67 0.00 3.44 3.57 -1.98 0.63 116.94 125.27 2k8y h PHE 58 Ca -0.25 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2k8y h PHE 58 Cb 1.25 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2k8y h PHE 58 CO 0.83 0.75 0.00 -1.49 -2.23 0.00 0.00 178.31 176.18 2k8y h TRP 59 N 0.39 0.00 0.00 0.41 4.06 -1.97 -1.75 115.95 117.09 2k8y h TRP 59 Ca 0.09 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.93 2k8y h TRP 59 Cb 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 2k8y h TRP 59 CO 0.04 0.00 -0.52 0.52 -3.56 0.00 0.00 178.44 174.92 2k8y h MET 60 N 0.00 0.00 0.01 0.49 2.86 -1.92 -3.35 114.93 113.02 2k8y h MET 60 Ca 0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 2k8y h MET 60 Cb 0.77 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.45 2k8y h MET 60 CO 0.00 0.52 -1.00 1.49 1.06 0.00 0.00 176.91 178.98 2k8y h GLU 61 N 0.00 0.53 -0.48 1.72 4.81 -0.03 -3.11 114.58 118.02 2k8y h GLU 61 Ca -0.01 -0.58 -0.13 0.00 -0.13 0.00 0.00 59.36 58.51 2k8y h GLU 61 Cb 1.36 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 2k8y h GLU 61 CO 0.07 1.21 -0.22 0.82 -0.73 0.00 0.00 179.01 180.15 2k8y h ILE 62 N 0.30 1.27 -0.11 2.32 2.04 -1.53 -1.76 117.51 120.03 2k8y h ILE 62 Ca -0.10 -1.39 -0.16 0.00 1.00 0.00 0.00 64.86 64.20 2k8y h ILE 62 Cb 1.64 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 2k8y h ILE 62 CO 0.18 0.48 -0.62 0.17 0.00 0.00 0.00 178.15 178.37 2k8y h LEU 63 N 0.86 0.46 -0.31 1.44 8.10 -1.69 -1.59 115.31 122.58 2k8y h LEU 63 Ca 0.11 -0.26 -0.20 0.00 0.11 0.00 0.00 57.88 57.63 2k8y h LEU 63 Cb 0.80 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 40.89 2k8y h LEU 63 CO 0.07 0.96 -0.81 -0.37 -4.11 0.00 0.00 178.44 174.18 2k8y h VAL 64 N 0.30 1.38 -0.35 0.15 -1.51 -1.55 -2.97 116.25 111.69 2k8y h VAL 64 Ca -0.01 -2.24 -0.10 0.00 -1.23 0.00 0.00 66.70 63.12 2k8y h VAL 64 Cb 1.15 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 32.52 2k8y h VAL 64 CO 0.11 0.67 -0.18 -0.09 -1.23 0.00 0.00 177.57 176.85 2k8y h ARG 65 N 0.27 0.75 -0.00 5.19 9.65 -1.16 -1.98 114.38 127.09 2k8y h ARG 65 Ca -0.05 -0.33 -0.11 0.00 -1.10 0.00 0.00 59.98 58.39 2k8y h ARG 65 Cb 1.40 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.95 2k8y h ARG 65 CO 0.14 0.94 -0.53 0.00 2.80 0.00 0.00 179.97 183.32 2k8y h ALA 66 N 0.79 1.13 -0.00 2.80 0.00 -1.40 -2.97 119.26 119.59 2k8y h ALA 66 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k8y h ALA 66 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k8y h ALA 66 CO 0.05 0.66 -0.08 0.45 0.00 0.00 0.00 179.25 180.34 2k8y n SER 67 N -3.91 0.28 0.00 0.00 2.88 -1.07 -4.97 113.62 106.83 2k8y n SER 67 Ca -0.01 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 2k8y n SER 67 Cb 0.54 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2k8y n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k8y n GLY 68 N 1.29 2.04 3.51 0.46 0.00 -0.77 -4.95 105.19 106.76 2k8y n GLY 68 Ca 0.14 0.03 -0.50 0.00 0.00 0.00 0.00 46.02 45.69 2k8y n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k8y n GLN 69 N 0.00 0.59 -0.18 1.61 3.00 -1.25 -4.65 117.38 116.50 2k8y n GLN 69 Ca 0.00 0.21 0.11 0.00 -0.01 0.00 0.00 57.00 57.31 2k8y n GLN 69 Cb 0.00 -1.52 0.26 0.00 0.00 0.00 0.00 30.24 28.99 2k8y n GLN 69 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2k8y n ARG 70 N 1.28 2.30 -3.60 -1.09 1.85 -1.26 -4.44 116.66 111.70 2k8y n ARG 70 Ca 0.16 -1.97 -0.37 0.00 -1.00 0.00 0.00 57.85 54.67 2k8y n ARG 70 Cb 0.23 -1.48 -0.09 0.00 -1.05 0.00 0.00 32.46 30.08 2k8y n ARG 70 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2k8y s GLN 71 N -1.51 4.13 0.10 2.89 -0.21 -1.26 -4.17 119.66 119.62 2k8y s GLN 71 Ca 0.37 -0.13 -0.34 0.00 0.02 0.00 0.00 55.36 55.28 2k8y s GLN 71 Cb 0.21 -3.51 -0.14 0.00 1.00 0.00 0.00 33.01 30.57 2k8y s GLN 71 CO 0.29 0.09 1.57 0.82 -2.12 0.00 0.00 175.29 175.94 2k8y h ILE 72 N 4.94 0.06 -0.32 1.08 5.03 -1.89 -1.59 117.51 124.82 2k8y h ILE 72 Ca -0.38 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.36 2k8y h ILE 72 Cb 1.16 0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 35.00 2k8y h ILE 72 CO 0.69 0.00 0.20 0.45 -0.68 0.00 0.00 178.15 178.81 2k8y h HIS 73 N -0.82 0.41 0.02 1.37 3.86 -1.99 -1.51 115.15 116.49 2k8y h HIS 73 Ca -0.02 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2k8y h HIS 73 Cb 0.78 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 2k8y h HIS 73 CO -0.35 0.27 -0.12 0.93 0.86 0.00 0.00 177.93 179.52 2k8y h GLU 74 N 0.42 -0.21 -0.74 2.45 3.07 -1.98 -1.80 114.58 115.79 2k8y h GLU 74 Ca 0.11 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.05 2k8y h GLU 74 Cb -0.03 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 27.89 2k8y h GLU 74 CO -0.02 -0.14 0.49 0.00 -1.40 0.00 0.00 179.01 177.94 2k8y h ALA 75 N 0.73 1.66 -0.12 3.43 0.00 -0.96 -0.56 119.26 123.44 2k8y h ALA 75 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2k8y h ALA 75 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k8y h ALA 75 CO -0.11 0.23 -0.38 0.82 0.00 0.00 0.00 179.25 179.81 2k8y h ILE 76 N 0.80 1.30 -0.02 0.00 2.04 -0.92 0.54 117.51 121.24 2k8y h ILE 76 Ca 0.32 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 2k8y h ILE 76 Cb 0.22 1.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2k8y h ILE 76 CO -0.10 0.44 -0.03 0.11 0.00 0.00 0.00 178.15 178.57 2k8y h LYS 77 N 0.22 0.06 0.14 2.37 1.79 -0.41 -2.35 116.57 118.38 2k8y h LYS 77 Ca 0.02 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2k8y h LYS 77 Cb 0.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2k8y h LYS 77 CO 0.06 0.55 -0.07 0.82 -1.08 0.00 0.00 179.45 179.73 2k8y h ILE 78 N -0.43 0.00 -0.54 1.86 2.04 -1.10 -3.38 117.51 115.96 2k8y h ILE 78 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2k8y h ILE 78 Cb 0.54 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2k8y h ILE 78 CO 0.01 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.46 2k8y n ILE 79 N -2.80 0.89 -1.54 -0.67 -5.35 0.16 -4.99 119.36 105.06 2k8y n ILE 79 Ca -0.02 -0.95 -0.29 0.00 -0.27 0.00 0.00 62.75 61.22 2k8y n ILE 79 Cb 0.07 0.60 0.12 0.00 -1.74 0.00 0.00 39.64 38.70 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 -1.07 1.59 0.40 3.28 0.00 -0.88 -1.11 107.32 109.53 2k8y s GLY 80 Ca 0.38 -0.44 -0.25 0.00 0.00 0.00 0.00 44.72 44.42 2k8y s GLY 80 CO 0.27 0.09 1.13 0.00 0.00 0.00 0.00 173.10 174.59 2k8y s ALA 81 N -3.24 3.11 0.01 3.20 0.00 -1.25 -3.51 121.76 120.08 2k8y s ALA 81 Ca 0.63 0.88 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 2k8y s ALA 81 Cb -0.15 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.63 2k8y s ALA 81 CO 0.54 -0.45 0.22 -1.59 0.00 0.00 0.00 175.76 174.48 2k8y s LYS 82 N -2.38 0.62 0.64 0.00 -2.85 -1.26 -4.95 119.74 109.56 2k8y s LYS 82 Ca 0.58 -0.40 -0.18 0.00 -1.00 0.00 0.00 55.97 54.97 2k8y s LYS 82 Cb -0.28 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 35.73 2k8y s LYS 82 CO 0.35 -0.17 1.21 -0.40 0.10 0.00 0.00 175.35 176.45 2k8y n ASP 83 N 1.14 1.76 0.00 0.03 5.68 -1.26 -4.49 116.55 119.40 2k8y n ASP 83 Ca -0.21 0.82 0.00 0.00 -0.50 0.00 0.00 54.79 54.90 2k8y n ASP 83 Cb 0.57 -1.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.03 2k8y n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k8y n GLY 84 N 1.01 0.88 3.53 6.12 0.00 -0.48 -4.93 105.19 111.32 2k8y n GLY 84 Ca 0.15 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 6.37 0.30 1.61 0.02 -1.26 -0.96 114.94 117.01 2k8y s ASN 85 Ca 0.00 -0.25 0.04 0.00 -1.02 0.00 0.00 52.86 51.62 2k8y s ASN 85 Cb 0.00 -2.37 -0.04 0.00 0.02 0.00 0.00 41.25 38.86 2k8y s ASN 85 CO 0.00 -0.93 0.19 0.68 0.02 0.00 0.00 177.10 177.05 2k8y s VAL 86 N 3.25 0.19 -0.15 1.60 -7.23 -0.83 -1.75 120.40 115.48 2k8y s VAL 86 Ca 0.27 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 2k8y s VAL 86 Cb -0.13 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.33 2k8y s VAL 86 CO 0.21 0.00 -0.17 0.00 -0.31 0.00 0.00 175.10 174.83 2k8y s LEU 88 N 1.33 3.64 -0.11 0.00 2.96 -0.23 -2.71 118.68 123.55 2k8y s LEU 88 Ca 0.03 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2k8y s LEU 88 Cb -0.13 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 2k8y s LEU 88 CO -0.10 -0.04 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.04 2k8y s ILE 89 N 1.64 2.21 0.20 6.68 1.01 -0.19 -0.90 121.20 131.85 2k8y s ILE 89 Ca 0.07 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.56 2k8y s ILE 89 Cb -0.15 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.50 2k8y s ILE 89 CO 0.06 0.55 0.58 0.00 0.00 0.00 0.00 174.94 176.14 2k8y h GLU 91 N 2.11 -0.04 -6.90 0.00 5.08 -1.89 -0.49 114.58 112.45 2k8y h GLU 91 Ca -0.28 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.39 2k8y h GLU 91 Cb 1.27 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.31 2k8y h GLU 91 CO 0.35 0.61 -0.87 0.34 -1.00 0.00 0.00 179.01 178.43 2k8y s ASP 92 N -5.91 3.34 0.38 1.42 -1.08 -1.26 -4.63 116.67 108.93 2k8y s ASP 92 Ca -0.13 -0.74 0.08 0.00 -0.52 0.00 0.00 52.55 51.24 2k8y s ASP 92 Cb -0.01 -0.23 0.82 0.00 -1.46 0.00 0.00 42.92 42.03 2k8y s ASP 92 CO 0.49 0.18 1.96 -0.33 0.52 0.00 0.00 175.17 177.99 2k8y h GLU 93 N 3.90 0.65 -0.13 4.34 3.07 -1.99 -1.38 114.58 123.03 2k8y h GLU 93 Ca -0.51 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.10 2k8y h GLU 93 Cb 1.17 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2k8y h GLU 93 CO 0.39 0.43 -0.75 1.05 -1.40 0.00 0.00 179.01 178.73 2k8y h GLU 94 N 0.67 0.74 -0.39 2.33 4.11 -1.98 -1.21 114.58 118.85 2k8y h GLU 94 Ca 0.31 -0.62 -0.08 0.00 0.07 0.00 0.00 59.36 59.03 2k8y h GLU 94 Cb 0.34 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2k8y h GLU 94 CO -0.10 1.23 -0.11 1.15 0.07 0.00 0.00 179.01 181.25 2k8y h THR 95 N 0.45 1.25 -0.33 -1.06 2.02 -1.92 -0.38 112.91 112.94 2k8y h THR 95 Ca -0.06 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.04 2k8y h THR 95 Cb 1.39 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.83 2k8y h THR 95 CO 0.15 0.37 0.16 0.15 0.37 0.00 0.00 175.52 176.73 2k8y h PHE 96 N 0.62 0.29 -0.27 3.16 3.57 -1.16 -2.62 116.94 120.55 2k8y h PHE 96 Ca 0.11 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 2k8y h PHE 96 Cb 0.55 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2k8y h PHE 96 CO 0.02 0.15 -0.26 -0.09 -2.23 0.00 0.00 178.31 175.91 2k8y h ARG 97 N 0.33 0.52 -0.52 1.11 9.65 -0.76 -0.54 114.38 124.16 2k8y h ARG 97 Ca 0.14 -0.20 -0.05 0.00 -1.10 0.00 0.00 59.98 58.78 2k8y h ARG 97 Cb 0.07 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 2k8y h ARG 97 CO -0.11 0.73 0.13 0.87 2.80 0.00 0.00 179.97 184.40 2k8y h LYS 98 N 0.45 0.79 0.01 0.20 1.79 -0.92 -1.48 116.57 117.42 2k8y h LYS 98 Ca 0.07 -0.15 -0.15 0.00 -2.18 0.00 0.00 60.65 58.24 2k8y h LYS 98 Cb 0.69 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2k8y h LYS 98 CO 0.05 0.71 -0.58 0.82 -1.08 0.00 0.00 179.45 179.38 2k8y h ILE 99 N 0.77 1.45 -0.62 1.86 1.08 -1.10 -3.36 117.51 117.59 2k8y h ILE 99 Ca 0.17 -2.11 0.07 0.00 -0.39 0.00 0.00 64.86 62.61 2k8y h ILE 99 Cb 0.27 2.68 -0.06 0.00 -3.07 0.00 0.00 36.82 36.64 2k8y h ILE 99 CO -0.00 0.61 0.29 0.22 -0.69 0.00 0.00 178.15 178.57 2k8y h TYR 100 N -0.18 0.52 -0.49 1.37 3.20 -0.96 -2.78 116.97 117.65 2k8y h TYR 100 Ca -0.08 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 2k8y h TYR 100 Cb 1.31 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 2k8y h TYR 100 CO 0.16 0.20 0.19 1.05 -1.64 0.00 0.00 178.16 178.12 2k8y h GLU 101 N 0.53 0.71 -0.00 1.82 4.11 -1.43 -1.95 114.58 118.37 2k8y h GLU 101 Ca 0.29 -0.10 -0.26 0.00 0.07 0.00 0.00 59.36 59.36 2k8y h GLU 101 Cb 0.28 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.41 2k8y h GLU 101 CO -0.24 0.59 -1.02 -0.07 0.07 0.00 0.00 179.01 178.35 2k8y h LEU 102 N 0.70 0.84 -0.05 3.06 -0.00 -1.64 -3.35 115.31 114.87 2k8y h LEU 102 Ca 0.17 -0.67 -0.17 0.00 -0.00 0.00 0.00 57.88 57.20 2k8y h LEU 102 Cb 0.15 -0.26 0.01 0.00 -0.00 0.00 0.00 40.66 40.57 2k8y h LEU 102 CO -0.02 1.47 -0.65 0.16 -0.00 0.00 0.00 178.44 179.41 2k8y h ILE 103 N 0.37 1.37 -2.79 1.22 3.07 -1.35 -3.47 117.51 115.92 2k8y h ILE 103 Ca -0.12 -2.00 0.00 0.00 1.55 0.00 0.00 64.86 64.29 2k8y h ILE 103 Cb 1.67 2.36 0.00 0.00 -0.27 0.00 0.00 36.82 40.57 2k8y h ILE 103 CO 0.20 0.60 -0.39 0.61 -1.05 0.00 0.00 178.15 178.12 2k8y n GLY 104 N 0.90 -4.14 0.00 0.16 0.00 -0.75 -1.86 105.19 99.51 2k8y n GLY 104 Ca -0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 0.74 0.63 3.35 -0.02 0.00 -1.26 -3.52 105.19 105.10 2k8y n GLY 105 Ca 0.00 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 0.18 2.77 -0.09 1.61 2.56 -0.76 -4.93 118.70 120.05 2k8y s GLU 106 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 54.97 53.88 2k8y s GLU 106 Cb 0.00 -2.35 -0.03 0.00 2.00 0.00 0.00 34.13 33.76 2k8y s GLU 106 CO 0.00 0.40 1.22 0.42 -0.56 0.00 0.00 175.26 176.73 2k8y s ILE 107 N -0.16 4.27 -0.32 -3.70 -1.09 -1.26 -1.02 121.20 117.91 2k8y s ILE 107 Ca -0.02 1.57 -0.01 0.00 -2.23 0.00 0.00 60.65 59.96 2k8y s ILE 107 Cb -0.14 -4.01 0.13 0.00 -1.58 0.00 0.00 42.46 36.86 2k8y s ILE 107 CO 0.04 -0.04 0.23 -0.62 -1.23 0.00 0.00 174.94 173.31 2k8y s ASP 108 N 1.62 2.56 0.48 3.58 2.15 -0.11 -4.97 116.67 121.98 2k8y s ASP 108 Ca 0.55 -1.43 0.32 0.00 0.43 0.00 0.00 52.55 52.42 2k8y s ASP 108 Cb -0.24 -0.01 1.33 0.00 -0.30 0.00 0.00 42.92 43.71 2k8y s ASP 108 CO 0.20 -0.37 1.93 -0.78 -0.17 0.00 0.00 175.17 175.98 2k8y h ASP 109 N 7.81 0.00 -0.14 -0.34 3.58 -1.95 -3.14 116.42 122.24 2k8y h ASP 109 Ca -0.08 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.41 2k8y h ASP 109 Cb 1.02 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 2k8y h ASP 109 CO 0.33 0.00 0.16 0.28 -2.88 0.00 0.00 179.24 177.13 2k8y h SER 110 N 0.00 0.00 0.79 2.28 0.02 -1.95 0.70 113.55 115.39 2k8y h SER 110 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2k8y h SER 110 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2k8y h SER 110 CO 0.00 0.00 -0.28 1.62 -1.14 0.00 0.00 176.83 177.03 2k8y h VAL 111 N 0.00 0.73 -0.39 2.27 3.04 -1.93 -3.06 116.25 116.90 2k8y h VAL 111 Ca 0.07 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 2k8y h VAL 111 Cb 0.39 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2k8y h VAL 111 CO -0.00 0.27 0.00 0.18 -1.01 0.00 0.00 177.57 177.01 2k8y n LEU 112 N -3.52 4.02 -0.40 3.16 4.77 0.16 -4.56 117.00 120.63 2k8y n LEU 112 Ca -0.00 -2.65 0.09 0.00 -0.03 0.00 0.00 56.01 53.42 2k8y n LEU 112 Cb 0.44 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2k8y n LEU 112 CO 0.35 0.71 0.26 -1.84 -1.33 0.00 0.00 177.39 175.54 2k8y n GLU 113 N 0.17 1.51 -0.10 3.23 0.28 -0.72 -2.84 120.64 122.17 2k8y n GLU 113 Ca 0.20 -0.85 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 2k8y n GLU 113 Cb 0.81 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 32.34 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 -0.13 -0.52 -4.07 3.84 0.00 -0.89 -4.92 119.36 112.67 2k8y n ILE 114 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 62.75 62.75 2k8y n ILE 114 Cb 0.38 -0.52 -0.10 0.00 0.00 0.00 0.00 39.64 39.40 2k8y n ILE 114 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 2k8y s ASN 115 N -0.12 0.50 0.24 9.51 0.01 -1.26 -5.04 114.94 118.78 2k8y s ASN 115 Ca 0.00 -0.88 -0.05 0.00 -0.71 0.00 0.00 52.86 51.22 2k8y s ASN 115 Cb 0.00 0.17 0.27 0.00 0.41 0.00 0.00 41.25 42.09 2k8y s ASN 115 CO 0.00 -0.51 1.79 -0.33 -1.51 0.00 0.00 177.10 176.54 2k8y h GLU 116 N 3.49 1.01 -0.13 -0.60 5.08 -2.00 -1.77 114.58 119.67 2k8y h GLU 116 Ca -0.34 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2k8y h GLU 116 Cb 1.16 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2k8y h GLU 116 CO 0.60 0.87 0.07 0.22 -1.00 0.00 0.00 179.01 179.77 2k8y h ASP 117 N 0.98 0.16 -0.64 1.42 1.82 -1.98 -1.94 116.42 116.25 2k8y h ASP 117 Ca 0.22 -0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2k8y h ASP 117 Cb 0.28 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 2k8y h ASP 117 CO -0.01 0.21 0.27 0.11 -1.61 0.00 0.00 179.24 178.21 2k8y h LYS 118 N 0.11 0.95 -0.38 0.28 6.56 -1.76 -3.27 116.57 119.05 2k8y h LYS 118 Ca 0.05 -0.16 -0.05 0.00 -1.06 0.00 0.00 60.65 59.42 2k8y h LYS 118 Cb 0.08 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.57 2k8y h LYS 118 CO -0.01 0.79 0.04 1.49 -2.06 0.00 0.00 179.45 179.70 2k8y h GLU 119 N 0.89 0.65 -0.37 3.15 4.81 -0.84 -0.33 114.58 122.54 2k8y h GLU 119 Ca 0.21 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 2k8y h GLU 119 Cb 0.18 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2k8y h GLU 119 CO -0.02 0.72 -0.36 0.07 -0.73 0.00 0.00 179.01 178.70 2k8y h ARG 120 N 0.48 0.87 -0.03 1.92 0.11 -1.47 -2.94 114.38 113.32 2k8y h ARG 120 Ca 0.11 -0.44 -0.18 0.00 0.10 0.00 0.00 59.98 59.58 2k8y h ARG 120 Cb 0.41 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 2k8y h ARG 120 CO 0.01 1.08 -0.78 1.37 0.10 0.00 0.00 179.97 181.75 2k8y h LEU 121 N 0.72 0.29 -0.83 0.08 8.10 -1.57 -3.10 115.31 119.01 2k8y h LEU 121 Ca 0.07 -0.21 0.02 0.00 0.11 0.00 0.00 57.88 57.87 2k8y h LEU 121 Cb 0.93 -0.09 -0.05 0.00 -0.44 0.00 0.00 40.66 41.01 2k8y h LEU 121 CO 0.09 0.96 0.54 0.40 -4.11 0.00 0.00 178.44 176.31 2k8y h ILE 122 N 0.15 1.16 0.00 0.15 2.04 -1.00 -1.76 117.51 118.25 2k8y h ILE 122 Ca -0.03 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 2k8y h ILE 122 Cb 1.36 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2k8y h ILE 122 CO 0.12 0.19 -0.25 0.08 0.00 0.00 0.00 178.15 178.30 2k8y h ARG 123 N 1.06 0.00 0.55 2.37 0.11 -1.56 -1.56 114.38 115.35 2k8y h ARG 123 Ca 0.32 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.37 2k8y h ARG 123 Cb -0.04 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.05 2k8y h ARG 123 CO -0.10 0.25 -0.26 1.49 0.10 0.00 0.00 179.97 181.45 2k8y h GLU 124 N 0.00 -0.71 0.00 0.08 4.57 -1.25 -1.14 114.58 116.12 2k8y h GLU 124 Ca -0.00 0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 2k8y h GLU 124 Cb 0.92 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 2k8y h GLU 124 CO 0.03 -0.40 -0.42 -0.84 -1.18 0.00 0.00 179.01 176.19 2k8y h ILE 125 N -1.03 0.77 0.01 2.32 -2.65 -1.45 -3.31 117.51 112.16 2k8y h ILE 125 Ca -0.08 -1.95 -0.36 0.00 1.03 0.00 0.00 64.86 63.51 2k8y h ILE 125 Cb 0.64 2.28 -0.06 0.00 -2.05 0.00 0.00 36.82 37.62 2k8y h ILE 125 CO 0.12 0.41 -2.22 0.49 0.03 0.00 0.00 178.15 176.98 2k8y n PHE 126 N -3.26 0.32 -2.94 0.16 3.72 -0.59 -5.07 117.46 109.80 2k8y n PHE 126 Ca 0.02 0.10 -0.11 0.00 -0.05 0.00 0.00 57.45 57.41 2k8y n PHE 126 Cb 0.67 -1.05 0.01 0.00 -0.94 0.00 0.00 39.48 38.16 2k8y n PHE 126 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2k8y n LYS 127 N -2.96 -2.25 -4.00 -1.08 4.76 -0.43 -5.03 118.16 107.17 2k8y n LYS 127 Ca -0.31 2.00 -0.34 0.00 -2.87 0.00 0.00 58.31 56.78 2k8y n LYS 127 Cb 1.10 -5.31 -0.15 0.00 -1.84 0.00 0.00 35.03 28.83 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 -2.53 2.70 -0.58 -0.18 1.01 -1.25 -5.07 121.20 115.29 2k8y s ILE 128 Ca 0.24 -0.95 -0.27 0.00 0.00 0.00 0.00 60.65 59.67 2k8y s ILE 128 Cb -0.06 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.14 2k8y s ILE 128 CO 0.78 0.32 1.14 -0.13 0.00 0.00 0.00 174.94 177.04 2k8y s ARG 129 N 1.33 3.47 0.00 2.79 3.00 -1.26 -4.86 118.95 123.41 2k8y s ARG 129 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 55.73 55.88 2k8y s ARG 129 Cb -0.15 -4.02 0.00 0.00 0.00 0.00 0.00 34.95 30.77 2k8y s ARG 129 CO -0.07 -1.64 0.00 0.41 0.00 0.00 0.00 175.30 174.00 2k8y n GLY 130 N 5.08 2.77 0.84 -3.53 0.00 -1.26 -5.17 105.19 103.93 2k8y n GLY 130 Ca 0.07 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 2k8y n GLY 130 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k8y n PHE 131 N 0.00 -3.98 0.00 1.61 7.35 -1.26 -4.93 117.46 116.26 2k8y n PHE 131 Ca 0.00 -0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.43 2k8y n PHE 131 Cb 0.00 -0.23 0.00 0.00 0.35 0.00 0.00 39.48 39.60 2k8y n PHE 131 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2k8y n GLY 132 N 3.03 0.73 3.37 7.13 0.00 -1.26 -4.88 105.19 113.32 2k8y n GLY 132 Ca 0.04 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 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 4.77 0.33 1.61 2.47 -1.26 -5.01 114.94 113.85 2k8y s ASN 133 Ca 0.00 -0.36 0.26 0.00 0.42 0.00 0.00 52.86 53.18 2k8y s ASN 133 Cb 0.00 -1.84 1.08 0.00 -1.45 0.00 0.00 41.25 39.05 2k8y s ASN 133 CO 0.00 -0.05 1.78 1.62 -3.72 0.00 0.00 177.10 176.73 2k8y h VAL 134 N 5.66 0.00 0.15 -5.21 3.04 -1.92 -2.88 116.25 115.09 2k8y h VAL 134 Ca -0.39 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.01 2k8y h VAL 134 Cb 1.16 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2k8y h VAL 134 CO 0.59 0.00 -0.07 0.58 -1.01 0.00 0.00 177.57 177.66 2k8y h VAL 135 N 0.00 0.97 -0.97 1.51 2.07 -1.97 0.18 116.25 118.04 2k8y h VAL 135 Ca 0.00 -1.00 0.08 0.00 0.82 0.00 0.00 66.70 66.60 2k8y h VAL 135 Cb 0.39 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 2k8y h VAL 135 CO 0.00 0.22 0.62 -0.33 0.02 0.00 0.00 177.57 178.10 2k8y h GLU 136 N -0.72 1.03 -0.38 1.57 5.08 -1.98 -1.56 114.58 117.62 2k8y h GLU 136 Ca -0.02 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2k8y h GLU 136 Cb 0.51 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2k8y h GLU 136 CO 0.03 0.68 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.47 2k8y h ARG 137 N 1.06 0.79 0.02 2.33 9.65 -1.35 -2.28 114.38 124.59 2k8y h ARG 137 Ca 0.43 -0.34 -0.25 0.00 -1.10 0.00 0.00 59.98 58.73 2k8y h ARG 137 Cb 0.28 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2k8y h ARG 137 CO -0.19 0.96 -1.02 -0.24 2.80 0.00 0.00 179.97 182.28 2k8y h VAL 138 N 0.59 1.34 -0.71 0.20 3.04 -0.81 -2.96 116.25 116.94 2k8y h VAL 138 Ca 0.09 -2.39 0.00 0.00 -1.01 0.00 0.00 66.70 63.39 2k8y h VAL 138 Cb 0.71 2.45 -0.03 0.00 -2.01 0.00 0.00 31.29 32.40 2k8y h VAL 138 CO 0.05 0.72 0.44 -0.07 -1.01 0.00 0.00 177.57 177.71 2k8y h LEU 139 N 0.30 0.84 -0.15 3.16 4.07 -1.23 -2.01 115.31 120.27 2k8y h LEU 139 Ca -0.11 -0.04 -0.20 0.00 0.08 0.00 0.00 57.88 57.61 2k8y h LEU 139 Cb 1.67 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 43.21 2k8y h LEU 139 CO 0.19 0.63 -0.69 -0.33 -1.08 0.00 0.00 178.44 177.16 2k8y h GLU 140 N 0.97 0.74 0.00 1.13 4.39 -1.46 -2.96 114.58 117.39 2k8y h GLU 140 Ca 0.26 -0.59 -0.13 0.00 0.34 0.00 0.00 59.36 59.24 2k8y h GLU 140 Cb -0.07 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2k8y h GLU 140 CO -0.05 1.20 -0.60 1.57 -1.16 0.00 0.00 179.01 179.97 2k8y h LYS 141 N 0.44 0.00 0.00 2.33 5.09 -1.29 0.13 116.57 123.27 2k8y h LYS 141 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 2k8y h LYS 141 Cb 1.32 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.65 2k8y h LYS 141 CO 0.14 0.60 -0.44 -0.84 -2.09 0.00 0.00 179.45 176.82 2k8y h ILE 142 N 0.00 0.00 0.00 0.07 3.07 -1.50 -3.16 117.51 115.99 2k8y h ILE 142 Ca -0.01 -0.86 0.00 0.00 1.55 0.00 0.00 64.86 65.55 2k8y h ILE 142 Cb 1.09 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.26 2k8y h ILE 142 CO 0.08 0.00 -0.46 0.00 -1.05 0.00 0.00 178.15 176.72 2k8y h ALA 143 N 2.14 0.71 0.00 0.16 0.00 -1.23 -3.33 119.26 117.71 2k8y h ALA 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k8y h ALA 143 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k8y h ALA 143 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.14 2k8y n LEU 144 N -2.26 0.00 -0.10 0.00 7.94 0.39 -1.63 117.00 121.33 2k8y n LEU 144 Ca 0.04 0.14 -0.17 0.00 -1.11 0.00 0.00 56.01 54.90 2k8y n LEU 144 Cb 0.45 -0.14 -0.08 0.00 0.53 0.00 0.00 43.42 44.19 2k8y n LEU 144 CO 0.35 -0.06 -0.64 -0.38 -1.11 0.00 0.00 177.39 175.55 2k8y n ILE 145 N -1.14 1.50 0.26 1.96 5.41 -1.25 -3.61 119.36 122.49 2k8y n ILE 145 Ca 0.11 -0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.97 2k8y n ILE 145 Cb 0.10 -2.14 -0.10 0.00 -0.71 0.00 0.00 39.64 36.79 2k8y n ILE 145 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2k8y n GLU 146 N -4.46 0.49 -3.17 0.38 -0.58 -1.23 -4.42 120.64 107.64 2k8y n GLU 146 Ca -0.27 -0.09 -0.22 0.00 -0.42 0.00 0.00 57.16 56.16 2k8y n GLU 146 Cb 0.59 -1.57 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 2k8y n GLU 146 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2k8y n LEU 147 N -2.15 1.39 -4.62 -4.62 4.77 -0.65 -5.11 117.00 106.01 2k8y n LEU 147 Ca -0.01 -5.05 -0.59 0.00 -0.03 0.00 0.00 56.01 50.33 2k8y n LEU 147 Cb 0.51 0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.92 2k8y n LEU 147 CO 0.44 2.22 0.94 2.29 -1.33 0.00 0.00 177.39 181.94 2k8y n LYS 148 N 0.58 0.55 -0.72 3.23 2.85 -1.24 -4.26 118.16 119.16 2k8y n LYS 148 Ca 0.25 0.20 0.08 0.00 -1.05 0.00 0.00 58.31 57.79 2k8y n LYS 148 Cb 0.56 -1.78 0.36 0.00 -0.65 0.00 0.00 35.03 33.53 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 3.10 4.12 0.00 -1.58 3.00 -1.26 -5.06 118.16 120.47 2k8y n LYS 149 Ca 0.23 -2.82 0.05 0.00 -0.00 0.00 0.00 58.31 55.77 2k8y n LYS 149 Cb 0.09 -2.05 0.04 0.00 0.00 0.00 0.00 35.03 33.12 2k8y n LYS 149 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49