#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 -0.94 -0.09 4.61 0.00 -1.26 -5.07 121.76 119.01 2k8y s ALA 2 Ca 0.00 0.32 -0.26 0.00 0.00 0.00 0.00 51.96 52.02 2k8y s ALA 2 Cb 0.00 0.26 -0.26 0.00 0.00 0.00 0.00 23.12 23.12 2k8y s ALA 2 CO 0.00 -0.40 0.90 0.52 0.00 0.00 0.00 175.76 176.78 2k8y h MET 3 N 3.23 0.11 -2.06 0.00 0.00 -2.01 -3.44 114.93 110.76 2k8y h MET 3 Ca -0.31 -0.16 -0.44 0.00 0.00 0.00 0.00 59.70 58.79 2k8y h MET 3 Cb 1.19 0.05 -0.33 0.00 0.00 0.00 0.00 31.60 32.52 2k8y h MET 3 CO 0.43 0.99 -0.77 0.16 0.00 0.00 0.00 176.91 177.72 2k8y s ASP 4 N -6.37 1.23 0.19 1.22 -4.77 -1.26 -4.99 116.67 101.92 2k8y s ASP 4 Ca -0.17 -2.13 -0.08 0.00 -3.30 0.00 0.00 52.55 46.87 2k8y s ASP 4 Cb -0.01 0.28 0.09 0.00 -1.09 0.00 0.00 42.92 42.19 2k8y s ASP 4 CO 0.73 -0.22 1.62 1.55 0.70 0.00 0.00 175.17 179.56 2k8y h PRO 5 N 6.41 0.98 -4.82 2.11 0.13 -1.86 -3.47 132.00 131.47 2k8y h PRO 5 Ca 0.12 -0.36 -0.41 0.00 -0.87 0.00 0.00 66.00 64.48 2k8y h PRO 5 Cb 1.01 -0.07 -0.14 0.00 0.13 0.00 0.00 31.00 31.93 2k8y h PRO 5 CO 0.23 1.03 -0.54 -1.64 -0.23 0.00 0.00 178.00 176.86 2k8y s MET 6 N -4.84 1.59 -0.39 0.86 -1.94 -1.26 -4.96 119.30 108.37 2k8y s MET 6 Ca -0.11 -1.91 -0.14 0.00 -1.71 0.00 0.00 55.69 51.83 2k8y s MET 6 Cb 0.13 0.20 0.02 0.00 2.01 0.00 0.00 34.83 37.19 2k8y s MET 6 CO 0.86 -0.54 0.26 0.42 -0.01 0.00 0.00 175.02 176.01 2k8y s ILE 7 N -3.65 5.08 -0.19 2.53 1.01 0.01 -4.95 121.20 121.04 2k8y s ILE 7 Ca 0.39 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 2k8y s ILE 7 Cb 0.04 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2k8y s ILE 7 CO 0.21 -0.24 0.01 -0.63 0.00 0.00 0.00 174.94 174.30 2k8y s ILE 8 N 1.65 4.21 0.08 2.92 1.09 -1.25 -1.48 121.20 128.42 2k8y s ILE 8 Ca 0.04 -0.23 0.06 0.00 -1.10 0.00 0.00 60.65 59.43 2k8y s ILE 8 Cb -0.19 -2.89 -0.03 0.00 -1.06 0.00 0.00 42.46 38.29 2k8y s ILE 8 CO 0.09 0.45 -0.17 -0.13 -0.10 0.00 0.00 174.94 175.08 2k8y s ARG 9 N 0.69 0.96 -0.17 2.79 1.81 -0.31 -4.94 118.95 119.78 2k8y s ARG 9 Ca 0.01 -1.04 -0.06 0.00 -1.72 0.00 0.00 55.73 52.91 2k8y s ARG 9 Cb -0.14 -1.08 -0.04 0.00 -0.45 0.00 0.00 34.95 33.24 2k8y s ARG 9 CO 0.02 0.25 0.03 0.20 -0.68 0.00 0.00 175.30 175.11 2k8y s GLY 10 N -1.80 1.84 0.01 -3.53 0.00 -1.26 -1.19 107.32 101.39 2k8y s GLY 10 Ca 0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.95 2k8y s GLY 10 CO 0.03 0.01 0.02 -1.50 0.00 0.00 0.00 173.10 171.66 2k8y s ILE 11 N 0.36 0.07 -0.04 0.90 2.07 -0.95 -1.32 121.20 122.29 2k8y s ILE 11 Ca 0.00 -0.60 0.06 0.00 -1.41 0.00 0.00 60.65 58.70 2k8y s ILE 11 Cb -0.13 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.22 2k8y s ILE 11 CO 0.01 -0.33 -0.21 0.00 -1.91 0.00 0.00 174.94 172.50 2k8y s ARG 12 N -1.01 2.04 0.00 3.50 1.70 0.19 -1.61 118.95 123.76 2k8y s ARG 12 Ca -0.11 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 54.38 2k8y s ARG 12 Cb -0.07 -1.82 0.00 0.00 -0.57 0.00 0.00 34.95 32.50 2k8y s ARG 12 CO -0.00 0.37 0.00 0.41 -1.08 0.00 0.00 175.30 175.00 2k8y n GLY 13 N 2.87 0.52 3.57 3.88 0.00 -0.35 -1.42 105.19 114.26 2k8y n GLY 13 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 2.74 -0.03 4.61 0.00 -0.80 -4.57 121.76 121.48 2k8y s ALA 14 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2k8y s ALA 14 Cb 0.00 -4.14 -0.05 0.00 0.00 0.00 0.00 23.12 18.93 2k8y s ALA 14 CO 0.00 -3.06 1.42 1.03 0.00 0.00 0.00 175.76 175.14 2k8y s ARG 15 N 5.68 4.26 -0.92 0.00 0.52 -1.23 -1.79 118.95 125.48 2k8y s ARG 15 Ca 0.52 1.95 -0.24 0.00 -0.52 0.00 0.00 55.73 57.44 2k8y s ARG 15 Cb -0.11 -3.65 -0.01 0.00 0.52 0.00 0.00 34.95 31.70 2k8y s ARG 15 CO 0.23 -0.63 1.75 0.42 0.02 0.00 0.00 175.30 177.10 2k8y s ILE 16 N 2.75 3.61 0.25 1.52 -1.09 -1.26 -4.64 121.20 122.34 2k8y s ILE 16 Ca 0.64 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.54 2k8y s ILE 16 Cb -0.30 -4.38 -0.07 0.00 -1.58 0.00 0.00 42.46 36.13 2k8y s ILE 16 CO 0.25 -1.31 0.55 0.54 -1.23 0.00 0.00 174.94 173.75 2k8y s ASN 17 N 6.87 6.58 0.59 3.58 6.03 -1.26 -4.86 114.94 132.47 2k8y s ASN 17 Ca 0.61 0.87 0.36 0.00 -1.03 0.00 0.00 52.86 53.67 2k8y s ASN 17 Cb -0.05 -2.21 1.86 0.00 -3.03 0.00 0.00 41.25 37.83 2k8y s ASN 17 CO -0.02 -0.11 2.19 0.78 -2.03 0.00 0.00 177.10 177.91 2k8y h ASN 18 N 2.31 0.00 0.25 3.54 2.35 -2.01 -3.16 115.58 118.85 2k8y h ASN 18 Ca -0.47 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 2k8y h ASN 18 Cb 1.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 2k8y h ASN 18 CO 0.68 0.03 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.93 2k8y h GLU 19 N 0.00 0.00 -0.21 0.81 3.07 -1.99 -2.50 114.58 113.75 2k8y h GLU 19 Ca -0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.92 2k8y h GLU 19 Cb 0.22 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2k8y h GLU 19 CO 0.00 0.24 0.33 -0.84 -1.40 0.00 0.00 179.01 177.34 2k8y h ILE 20 N 0.00 0.27 0.00 3.13 3.07 -1.94 -1.44 117.51 120.60 2k8y h ILE 20 Ca -0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2k8y h ILE 20 Cb 0.43 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 2k8y h ILE 20 CO 0.03 0.00 -0.98 0.33 -1.05 0.00 0.00 178.15 176.48 2k8y n PHE 21 N -3.47 0.92 0.26 0.16 7.35 -0.94 -4.25 117.46 117.49 2k8y n PHE 21 Ca 0.03 0.27 0.14 0.00 -0.76 0.00 0.00 57.45 57.13 2k8y n PHE 21 Cb 0.45 -0.92 0.64 0.00 0.35 0.00 0.00 39.48 40.00 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 0.92 -2.13 -0.73 -1.39 -1.83 115.58 110.42 2k8y h ASN 22 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k8y h ASN 22 Cb 0.97 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.56 2k8y h ASN 22 CO 0.00 0.10 -0.10 0.00 -0.37 0.00 0.00 177.43 177.06 2k8y n LEU 23 N -3.29 0.12 -1.02 0.34 -0.00 -1.26 -4.94 117.00 106.95 2k8y n LEU 23 Ca -0.00 0.41 -0.11 0.00 -0.00 0.00 0.00 56.01 56.30 2k8y n LEU 23 Cb 0.33 -0.45 -0.05 0.00 -0.00 0.00 0.00 43.42 43.25 2k8y n LEU 23 CO 0.29 0.02 -0.11 0.61 -0.00 0.00 0.00 177.39 178.21 2k8y n GLY 24 N 1.49 1.06 3.94 1.47 0.00 -0.69 -4.96 105.19 107.50 2k8y n GLY 24 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.86 2.74 -0.85 0.99 1.43 -1.26 -4.99 118.68 113.88 2k8y s LEU 25 Ca 0.00 0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 2k8y s LEU 25 Cb 0.00 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 43.91 2k8y s LEU 25 CO 0.00 -2.42 1.12 -0.54 0.23 0.00 0.00 176.35 174.74 2k8y s LYS 26 N -5.69 3.43 0.09 1.70 3.01 -1.26 -4.96 119.74 116.06 2k8y s LYS 26 Ca 0.70 -1.34 -0.07 0.00 -1.01 0.00 0.00 55.97 54.25 2k8y s LYS 26 Cb -0.05 -4.74 -0.01 0.00 -1.01 0.00 0.00 37.83 32.02 2k8y s LYS 26 CO 0.51 -1.85 0.15 -0.59 0.51 0.00 0.00 175.35 174.07 2k8y s PHE 27 N 3.51 0.24 0.02 3.18 -0.71 -1.26 -3.91 117.98 119.04 2k8y s PHE 27 Ca 0.31 -0.69 -0.12 0.00 -1.04 0.00 0.00 56.93 55.39 2k8y s PHE 27 Cb -0.08 -0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.62 2k8y s PHE 27 CO -0.03 -0.52 0.27 -1.14 -1.34 0.00 0.00 175.22 172.46 2k8y s GLN 28 N -3.88 0.72 -0.01 1.99 2.00 -0.62 -4.97 119.66 114.89 2k8y s GLN 28 Ca 0.06 -0.45 0.02 0.00 -2.00 0.00 0.00 55.36 52.99 2k8y s GLN 28 Cb 0.05 0.31 0.00 0.00 0.80 0.00 0.00 33.01 34.17 2k8y s GLN 28 CO -0.10 -0.21 -0.06 0.42 -0.50 0.00 0.00 175.29 174.83 2k8y s ILE 29 N -2.15 0.52 0.23 -2.34 1.01 -1.26 -0.74 121.20 116.47 2k8y s ILE 29 Ca -0.08 -0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.34 2k8y s ILE 29 Cb -0.03 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.98 2k8y s ILE 29 CO -0.01 0.16 0.06 0.00 0.00 0.00 0.00 174.94 175.15 2k8y n LEU 30 N 3.14 0.00 -4.63 2.97 -0.00 -0.94 -3.49 117.00 114.05 2k8y n LEU 30 Ca -0.16 -1.67 -0.41 0.00 -0.00 0.00 0.00 56.01 53.78 2k8y n LEU 30 Cb 0.56 0.47 -0.06 0.00 -0.00 0.00 0.00 43.42 44.39 2k8y n LEU 30 CO 0.25 -0.25 0.42 0.21 -0.00 0.00 0.00 177.39 178.01 2k8y s ASN 31 N -2.37 6.60 0.00 1.45 2.47 0.04 -1.20 114.94 121.94 2k8y s ASN 31 Ca 0.08 0.74 0.30 0.00 0.42 0.00 0.00 52.86 54.41 2k8y s ASN 31 Cb 0.00 -2.35 1.50 0.00 -1.45 0.00 0.00 41.25 38.96 2k8y s ASN 31 CO 0.06 -0.38 2.04 0.00 -3.72 0.00 0.00 177.10 175.09 2k8y n ALA 32 N 5.72 2.54 0.08 1.71 0.00 -0.17 -3.48 120.51 126.90 2k8y n ALA 32 Ca -0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2k8y n ALA 32 Cb 0.49 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 2k8y n ALA 32 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k8y h ASP 33 N 0.08 0.33 -0.53 0.00 3.58 -1.91 -3.28 116.42 114.70 2k8y h ASP 33 Ca 0.00 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2k8y h ASP 33 Cb 0.28 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2k8y h ASP 33 CO 0.00 1.08 0.00 1.33 -2.88 0.00 0.00 179.24 178.77 2k8y n VAL 34 N -3.67 0.95 -3.04 2.25 0.24 -1.23 -4.73 118.33 109.08 2k8y n VAL 34 Ca -0.05 -0.97 -0.39 0.00 -2.04 0.00 0.00 64.34 60.89 2k8y n VAL 34 Cb 0.82 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.68 2k8y n VAL 34 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k8y s VAL 35 N -1.02 4.45 -0.04 3.34 0.11 -1.23 -4.88 120.40 121.14 2k8y s VAL 35 Ca 0.36 1.56 -0.10 0.00 -2.93 0.00 0.00 61.98 60.87 2k8y s VAL 35 Cb 0.19 -4.06 -0.06 0.00 -1.53 0.00 0.00 36.38 30.93 2k8y s VAL 35 CO 0.25 0.48 0.49 0.00 -3.33 0.00 0.00 175.10 172.99 2k8y h ALA 36 N 4.21 -0.44 -2.70 1.54 0.00 -1.91 -3.45 119.26 116.50 2k8y h ALA 36 Ca -0.48 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 2k8y h ALA 36 Cb 1.21 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 19.02 2k8y h ALA 36 CO 0.65 -0.41 -0.38 0.95 0.00 0.00 0.00 179.25 180.06 2k8y s THR 37 N -2.77 0.00 0.48 0.00 -4.23 -1.26 -2.05 115.64 105.82 2k8y s THR 37 Ca -0.05 -1.72 0.22 0.00 -1.18 0.00 0.00 61.69 58.96 2k8y s THR 37 Cb 0.01 -2.35 0.39 0.00 1.34 0.00 0.00 72.50 71.89 2k8y s THR 37 CO 0.16 -0.01 1.94 0.07 -0.54 0.00 0.00 174.62 176.24 2k8y h LYS 38 N 2.45 0.18 -0.03 3.99 -0.00 -1.82 -1.71 116.57 119.63 2k8y h LYS 38 Ca -0.31 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.65 60.25 2k8y h LYS 38 Cb 1.25 -0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.43 2k8y h LYS 38 CO 0.45 0.12 -0.33 -0.22 -0.00 0.00 0.00 179.45 179.46 2k8y h LYS 39 N 0.19 0.06 -0.31 0.07 3.64 -1.95 -1.46 116.57 116.80 2k8y h LYS 39 Ca 0.34 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2k8y h LYS 39 Cb 1.08 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2k8y h LYS 39 CO -0.06 0.39 0.19 1.25 -2.27 0.00 0.00 179.45 178.95 2k8y h HIS 40 N 0.05 0.41 0.08 1.91 2.76 -1.68 -1.61 115.15 117.07 2k8y h HIS 40 Ca 0.01 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k8y h HIS 40 Cb 0.62 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.45 2k8y h HIS 40 CO 0.00 0.30 -0.04 0.28 -1.30 0.00 0.00 177.93 177.18 2k8y h VAL 41 N 0.40 1.15 -0.01 5.26 2.07 -1.48 -3.06 116.25 120.58 2k8y h VAL 41 Ca 0.11 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2k8y h VAL 41 Cb 0.01 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2k8y h VAL 41 CO -0.02 0.21 -0.24 0.17 0.02 0.00 0.00 177.57 177.71 2k8y h LEU 42 N -0.48 0.01 -1.03 2.57 8.10 -1.27 -0.36 115.31 122.85 2k8y h LEU 42 Ca -0.01 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.90 2k8y h LEU 42 Cb 0.41 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.61 2k8y h LEU 42 CO 0.02 0.25 -0.08 -0.74 -4.11 0.00 0.00 178.44 173.78 2k8y h HIS 43 N 0.01 0.64 -0.26 0.17 2.76 -1.37 -0.37 115.15 116.75 2k8y h HIS 43 Ca 0.00 -0.09 -0.10 0.00 -2.20 0.00 0.00 60.37 57.98 2k8y h HIS 43 Cb 0.43 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 2k8y h HIS 43 CO 0.00 0.67 -0.26 0.00 -1.30 0.00 0.00 177.93 177.04 2k8y h ALA 44 N 1.36 1.08 -0.23 5.26 0.00 -0.98 -2.11 119.26 123.63 2k8y h ALA 44 Ca 0.11 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2k8y h ALA 44 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k8y h ALA 44 CO 0.03 0.57 -0.43 0.82 0.00 0.00 0.00 179.25 180.23 2k8y h ILE 45 N 0.44 1.30 0.22 0.00 2.04 -0.98 -0.39 117.51 120.14 2k8y h ILE 45 Ca 0.06 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.32 2k8y h ILE 45 Cb 0.68 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 2k8y h ILE 45 CO 0.05 0.51 -0.22 0.78 0.00 0.00 0.00 178.15 179.27 2k8y h ASN 46 N 0.46 -0.59 -0.02 1.72 -0.26 -0.88 -1.95 115.58 114.05 2k8y h ASN 46 Ca 0.03 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2k8y h ASN 46 Cb 0.94 0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 38.40 2k8y h ASN 46 CO 0.08 -0.33 0.01 1.56 -1.06 0.00 0.00 177.43 177.69 2k8y h GLN 47 N -0.47 0.06 0.00 0.81 1.08 -1.35 -1.51 115.11 113.73 2k8y h GLN 47 Ca -0.00 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 2k8y h GLN 47 Cb 0.44 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2k8y h GLN 47 CO -0.05 0.06 -0.31 0.00 -0.95 0.00 0.00 178.83 177.58 2k8y h ALA 48 N 1.95 1.22 0.00 3.87 0.00 -0.63 0.11 119.26 125.78 2k8y h ALA 48 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k8y h ALA 48 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k8y h ALA 48 CO -0.00 0.39 -0.78 0.87 0.00 0.00 0.00 179.25 179.73 2k8y h LYS 49 N 0.00 0.00 0.07 0.00 1.57 -0.55 -3.37 116.57 114.29 2k8y h LYS 49 Ca -0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2k8y h LYS 49 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2k8y h LYS 49 CO 0.04 0.00 -1.83 2.41 -0.57 0.00 0.00 179.45 179.50 2k8y n THR 50 N -2.32 1.67 -4.77 -0.16 -1.04 -0.74 -4.97 114.28 101.93 2k8y n THR 50 Ca 0.02 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.05 61.28 2k8y n THR 50 Cb 0.48 -1.82 -0.13 0.00 -1.82 0.00 0.00 70.33 67.04 2k8y n THR 50 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2k8y s LYS 51 N -2.49 2.40 -0.51 -2.82 -0.14 0.37 -5.08 119.74 111.47 2k8y s LYS 51 Ca -0.27 -0.77 0.03 0.00 -1.36 0.00 0.00 55.97 53.61 2k8y s LYS 51 Cb 0.07 -2.34 0.14 0.00 -1.68 0.00 0.00 37.83 34.01 2k8y s LYS 51 CO 0.68 0.60 0.28 0.15 -0.76 0.00 0.00 175.35 176.30 2k8y s LYS 52 N -1.01 1.78 0.00 1.68 1.02 -1.26 -4.62 119.74 117.33 2k8y s LYS 52 Ca 0.13 -2.49 0.00 0.00 0.02 0.00 0.00 55.97 53.63 2k8y s LYS 52 Cb -0.11 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2k8y s LYS 52 CO 0.03 -1.15 0.00 -0.35 -0.92 0.00 0.00 175.35 172.96 2k8y n PRO 53 N 3.12 0.00 -0.06 -1.68 -0.04 -1.26 -4.95 135.00 130.12 2k8y n PRO 53 Ca 0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2k8y n PRO 53 Cb 0.34 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.83 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 0.89 -1.92 0.52 5.41 -1.26 -5.09 119.36 117.90 2k8y n ILE 54 Ca 0.00 -0.97 -0.38 0.00 1.00 0.00 0.00 62.75 62.40 2k8y n ILE 54 Cb 0.00 0.44 0.03 0.00 -0.71 0.00 0.00 39.64 39.40 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 -1.10 2.86 0.12 -1.39 0.00 -1.26 -4.95 121.76 116.04 2k8y s ALA 55 Ca 0.07 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.06 2k8y s ALA 55 Cb 0.06 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2k8y s ALA 55 CO 0.01 -1.17 1.76 0.87 0.00 0.00 0.00 175.76 177.23 2k8y h LYS 56 N 1.61 0.34 -4.03 0.00 1.57 -1.99 -3.47 116.57 110.61 2k8y h LYS 56 Ca -0.50 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.08 2k8y h LYS 56 Cb 1.28 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.42 2k8y h LYS 56 CO 0.58 0.26 -0.27 -1.12 -0.57 0.00 0.00 179.45 178.33 2k8y s SER 57 N -5.47 0.24 0.08 0.86 0.01 -1.26 -5.03 113.70 103.13 2k8y s SER 57 Ca -0.13 -1.20 -0.27 0.00 1.31 0.00 0.00 55.95 55.66 2k8y s SER 57 Cb 0.09 0.55 -0.16 0.00 0.21 0.00 0.00 66.02 66.71 2k8y s SER 57 CO 0.70 -1.10 1.69 0.15 0.41 0.00 0.00 173.24 175.10 2k8y h PHE 58 N 2.31 -0.35 0.00 2.43 3.57 -1.94 -0.63 116.94 122.33 2k8y h PHE 58 Ca -0.29 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 2k8y h PHE 58 Cb 1.25 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.10 2k8y h PHE 58 CO 0.67 -0.22 -0.34 -1.49 -2.23 0.00 0.00 178.31 174.70 2k8y h TRP 59 N -0.37 0.00 0.00 0.41 4.06 -1.98 -2.11 115.95 115.97 2k8y h TRP 59 Ca -0.03 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 2k8y h TRP 59 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 2k8y h TRP 59 CO -0.07 0.34 -0.49 0.52 -3.56 0.00 0.00 178.44 175.17 2k8y h MET 60 N 0.00 0.00 0.00 0.49 2.86 -1.91 -2.86 114.93 113.51 2k8y h MET 60 Ca -0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 2k8y h MET 60 Cb 0.63 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2k8y h MET 60 CO 0.04 0.49 -0.44 1.49 1.06 0.00 0.00 176.91 179.56 2k8y h GLU 61 N 0.00 0.00 -0.27 1.72 4.57 -0.42 -3.07 114.58 117.11 2k8y h GLU 61 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 2k8y h GLU 61 Cb 0.97 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.55 2k8y h GLU 61 CO 0.06 0.44 -0.00 0.82 -1.18 0.00 0.00 179.01 179.15 2k8y h ILE 62 N 0.00 1.26 -0.11 2.32 2.04 -1.26 -0.16 117.51 121.59 2k8y h ILE 62 Ca -0.00 -0.92 -0.12 0.00 1.00 0.00 0.00 64.86 64.81 2k8y h ILE 62 Cb 0.89 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2k8y h ILE 62 CO 0.06 0.29 -0.46 0.17 0.00 0.00 0.00 178.15 178.21 2k8y h LEU 63 N 0.25 0.28 0.14 1.44 8.10 -1.57 -2.89 115.31 121.07 2k8y h LEU 63 Ca 0.08 -0.13 -0.29 0.00 0.11 0.00 0.00 57.88 57.65 2k8y h LEU 63 Cb 0.43 -0.08 0.03 0.00 -0.44 0.00 0.00 40.66 40.60 2k8y h LEU 63 CO 0.01 0.70 -1.21 -0.37 -4.11 0.00 0.00 178.44 173.47 2k8y h VAL 64 N 0.21 1.31 -0.51 0.15 -1.51 -1.49 -3.37 116.25 111.05 2k8y h VAL 64 Ca 0.01 -2.49 -0.13 0.00 -1.23 0.00 0.00 66.70 62.87 2k8y h VAL 64 Cb 0.90 2.81 -0.01 0.00 -2.13 0.00 0.00 31.29 32.85 2k8y h VAL 64 CO 0.07 0.75 -0.18 -0.09 -1.23 0.00 0.00 177.57 176.89 2k8y h ARG 65 N 0.16 1.02 0.00 5.19 9.65 -0.97 0.25 114.38 129.69 2k8y h ARG 65 Ca -0.19 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 2k8y h ARG 65 Cb 1.90 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.44 2k8y h ARG 65 CO 0.23 1.10 0.00 0.00 2.80 0.00 0.00 179.97 184.11 2k8y n ALA 66 N -2.51 1.35 -1.26 2.80 0.00 -1.10 -0.99 120.51 118.80 2k8y n ALA 66 Ca 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 2k8y n ALA 66 Cb 0.44 -1.33 0.22 0.00 0.00 0.00 0.00 19.45 18.79 2k8y n ALA 66 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k8y n SER 67 N -2.18 3.30 0.00 0.00 3.41 -0.79 -4.94 113.62 112.43 2k8y n SER 67 Ca 0.00 -3.51 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 2k8y n SER 67 Cb 0.13 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 -0.86 0.45 2.18 5.00 0.00 -0.16 -4.73 105.19 107.07 2k8y n GLY 68 Ca 0.36 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2k8y n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k8y n GLN 69 N -1.75 -4.41 -4.22 1.61 7.27 0.01 -4.96 117.38 110.92 2k8y n GLN 69 Ca 0.00 3.16 -0.14 0.00 0.07 0.00 0.00 57.00 60.09 2k8y n GLN 69 Cb 0.29 -3.84 -0.09 0.00 2.41 0.00 0.00 30.24 29.01 2k8y n GLN 69 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2k8y s ARG 70 N -0.47 1.35 0.28 3.69 3.00 -1.23 -4.95 118.95 120.63 2k8y s ARG 70 Ca 0.00 -1.74 -0.30 0.00 0.00 0.00 0.00 55.73 53.69 2k8y s ARG 70 Cb 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 34.95 35.11 2k8y s ARG 70 CO 0.00 -0.46 1.47 1.04 0.00 0.00 0.00 175.30 177.35 2k8y n GLN 71 N -0.37 2.35 -0.14 3.54 6.02 -1.26 -4.84 117.38 122.69 2k8y n GLN 71 Ca 0.04 0.83 -0.04 0.00 -0.01 0.00 0.00 57.00 57.82 2k8y n GLN 71 Cb 0.65 -2.53 0.02 0.00 1.02 0.00 0.00 30.24 29.40 2k8y n GLN 71 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2k8y h ILE 72 N 3.09 0.56 -0.47 5.09 5.03 -1.97 -0.69 117.51 128.14 2k8y h ILE 72 Ca -0.46 -0.00 -0.08 0.00 -0.12 0.00 0.00 64.86 64.19 2k8y h ILE 72 Cb 1.25 0.55 -0.02 0.00 -3.03 0.00 0.00 36.82 35.58 2k8y h ILE 72 CO 0.74 0.00 -0.04 -0.74 -0.68 0.00 0.00 178.15 177.43 2k8y h HIS 73 N 0.00 0.88 -0.25 1.37 2.76 -1.98 -0.71 115.15 117.22 2k8y h HIS 73 Ca 0.21 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2k8y h HIS 73 Cb 0.33 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 2k8y h HIS 73 CO -0.38 0.83 0.10 0.93 -1.30 0.00 0.00 177.93 178.10 2k8y h GLU 74 N 0.75 0.37 -0.04 5.26 4.39 -1.77 -2.50 114.58 121.03 2k8y h GLU 74 Ca 0.14 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 2k8y h GLU 74 Cb 0.51 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2k8y h GLU 74 CO 0.03 0.41 -0.11 0.00 -1.16 0.00 0.00 179.01 178.18 2k8y h ALA 75 N 0.94 1.73 -0.17 3.43 0.00 -0.79 -0.79 119.26 123.61 2k8y h ALA 75 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2k8y h ALA 75 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k8y h ALA 75 CO -0.01 0.20 -0.13 0.82 0.00 0.00 0.00 179.25 180.13 2k8y h ILE 76 N 0.06 1.19 0.03 0.00 2.04 -0.94 -0.13 117.51 119.77 2k8y h ILE 76 Ca 0.01 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 2k8y h ILE 76 Cb 0.24 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2k8y h ILE 76 CO 0.02 0.26 -0.02 0.11 0.00 0.00 0.00 178.15 178.52 2k8y h LYS 77 N 0.25 -0.04 0.32 2.37 1.57 -0.78 -2.71 116.57 117.55 2k8y h LYS 77 Ca 0.05 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2k8y h LYS 77 Cb 0.39 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2k8y h LYS 77 CO 0.02 0.54 -0.15 0.82 -0.57 0.00 0.00 179.45 180.11 2k8y h ILE 78 N -0.67 0.00 0.00 1.86 2.04 -1.09 -3.39 117.51 116.26 2k8y h ILE 78 Ca -0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2k8y h ILE 78 Cb 0.60 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2k8y h ILE 78 CO 0.01 0.00 -0.16 2.30 0.00 0.00 0.00 178.15 180.30 2k8y n ILE 79 N -3.59 1.54 -1.96 -0.67 -5.35 -0.18 -5.03 119.36 104.12 2k8y n ILE 79 Ca -0.05 -1.93 -0.32 0.00 -0.27 0.00 0.00 62.75 60.18 2k8y n ILE 79 Cb 0.17 -0.08 0.01 0.00 -1.74 0.00 0.00 39.64 38.00 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 -2.56 1.93 -0.23 3.28 0.00 -0.49 -0.78 107.32 108.47 2k8y s GLY 80 Ca 0.27 0.20 -0.33 0.00 0.00 0.00 0.00 44.72 44.86 2k8y s GLY 80 CO 0.01 0.50 2.07 0.00 0.00 0.00 0.00 173.10 175.69 2k8y n ALA 81 N -2.33 1.11 -2.64 3.20 0.00 -1.23 -3.83 120.51 114.79 2k8y n ALA 81 Ca 0.08 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 2k8y n ALA 81 Cb 0.53 -2.60 -0.11 0.00 0.00 0.00 0.00 19.45 17.27 2k8y n ALA 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k8y s LYS 82 N 5.39 0.65 0.00 0.00 -2.85 -1.26 -4.98 119.74 116.69 2k8y s LYS 82 Ca 1.01 -0.95 -0.35 0.00 -1.00 0.00 0.00 55.97 54.68 2k8y s LYS 82 Cb -0.69 -0.30 -0.13 0.00 -2.06 0.00 0.00 37.83 34.64 2k8y s LYS 82 CO 0.48 0.04 1.71 -0.25 0.10 0.00 0.00 175.35 177.43 2k8y n ASP 83 N 0.97 3.06 0.00 0.03 9.92 -1.26 -4.57 116.55 124.70 2k8y n ASP 83 Ca -0.19 1.04 0.00 0.00 -0.53 0.00 0.00 54.79 55.10 2k8y n ASP 83 Cb 0.57 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.69 2k8y n ASP 83 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k8y n GLY 84 N 3.86 0.69 3.56 0.44 0.00 -0.74 -4.93 105.19 108.07 2k8y n GLY 84 Ca 0.21 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 6.45 0.13 1.61 0.02 -1.26 -1.22 114.94 116.67 2k8y s ASN 85 Ca 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 52.86 51.88 2k8y s ASN 85 Cb 0.00 -2.47 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 2k8y s ASN 85 CO 0.00 -1.19 -0.09 0.68 0.02 0.00 0.00 177.10 176.52 2k8y s VAL 86 N 4.06 0.98 -0.23 1.60 -7.23 -0.63 -1.00 120.40 117.94 2k8y s VAL 86 Ca 0.37 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.49 2k8y s VAL 86 Cb -0.10 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.06 2k8y s VAL 86 CO 0.25 -0.80 -0.04 0.00 -0.31 0.00 0.00 175.10 174.20 2k8y s LEU 88 N 1.44 3.79 -0.18 0.00 2.96 -0.33 -2.20 118.68 124.16 2k8y s LEU 88 Ca 0.04 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.86 2k8y s LEU 88 Cb -0.15 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 2k8y s LEU 88 CO -0.03 -0.02 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.29 2k8y s ILE 89 N 1.54 3.47 -0.05 6.68 1.01 0.08 -1.16 121.20 132.77 2k8y s ILE 89 Ca 0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 2k8y s ILE 89 Cb -0.15 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2k8y s ILE 89 CO 0.07 0.47 0.30 0.00 0.00 0.00 0.00 174.94 175.77 2k8y h GLU 91 N 4.62 0.00 -5.23 0.00 -0.00 -1.88 0.07 114.58 112.17 2k8y h GLU 91 Ca -0.28 0.00 -0.40 0.00 -0.00 0.00 0.00 59.36 58.68 2k8y h GLU 91 Cb 1.18 0.00 -0.22 0.00 -0.00 0.00 0.00 28.75 29.71 2k8y h GLU 91 CO 0.36 0.56 -0.78 -0.51 -0.00 0.00 0.00 179.01 178.65 2k8y s ASP 92 N -6.57 1.56 0.59 3.06 1.01 -1.26 -4.77 116.67 110.28 2k8y s ASP 92 Ca 0.01 -0.57 0.30 0.00 0.71 0.00 0.00 52.55 53.00 2k8y s ASP 92 Cb 0.10 -0.05 1.83 0.00 1.01 0.00 0.00 42.92 45.81 2k8y s ASP 92 CO 0.74 -0.07 2.26 -0.33 0.21 0.00 0.00 175.17 177.98 2k8y h GLU 93 N 4.48 0.00 -0.29 8.23 5.08 -1.98 -2.08 114.58 128.02 2k8y h GLU 93 Ca -0.39 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.86 2k8y h GLU 93 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k8y h GLU 93 CO 0.41 0.00 -0.22 1.05 -1.00 0.00 0.00 179.01 179.26 2k8y h GLU 94 N 0.00 0.65 -0.11 2.33 4.11 -1.99 -1.78 114.58 117.79 2k8y h GLU 94 Ca -0.00 -0.32 -0.13 0.00 0.07 0.00 0.00 59.36 58.98 2k8y h GLU 94 Cb 0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k8y h GLU 94 CO 0.00 0.92 -0.49 1.15 0.07 0.00 0.00 179.01 180.66 2k8y h THR 95 N 0.39 1.34 0.09 -1.06 2.02 -1.84 -1.55 112.91 112.31 2k8y h THR 95 Ca 0.05 -1.71 -0.00 0.00 0.77 0.00 0.00 66.41 65.52 2k8y h THR 95 Cb 0.77 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2k8y h THR 95 CO 0.06 0.51 -0.04 0.15 0.37 0.00 0.00 175.52 176.56 2k8y h PHE 96 N 0.23 -0.12 -0.50 3.16 3.57 -1.34 -2.45 116.94 119.49 2k8y h PHE 96 Ca 0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2k8y h PHE 96 Cb 0.94 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.70 2k8y h PHE 96 CO 0.02 -0.03 0.33 -0.09 -2.23 0.00 0.00 178.31 176.31 2k8y h ARG 97 N -0.17 0.65 -0.79 1.11 2.43 -1.15 -1.05 114.38 115.40 2k8y h ARG 97 Ca -0.01 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2k8y h ARG 97 Cb 0.14 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2k8y h ARG 97 CO 0.02 0.43 0.52 -0.22 -1.51 0.00 0.00 179.97 179.21 2k8y h LYS 98 N 0.67 1.01 -0.16 0.20 3.64 -1.23 0.16 116.57 120.85 2k8y h LYS 98 Ca 0.19 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 2k8y h LYS 98 Cb -0.07 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 2k8y h LYS 98 CO -0.05 0.67 -0.39 0.82 -2.27 0.00 0.00 179.45 178.23 2k8y h ILE 99 N 1.04 1.35 -0.89 2.00 1.08 -1.27 -3.26 117.51 117.56 2k8y h ILE 99 Ca 0.30 -1.65 0.12 0.00 -0.39 0.00 0.00 64.86 63.24 2k8y h ILE 99 Cb -0.07 1.98 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 2k8y h ILE 99 CO -0.08 0.50 0.58 0.22 -0.69 0.00 0.00 178.15 178.67 2k8y h TYR 100 N 0.19 0.91 -0.86 1.37 3.20 -0.61 -1.74 116.97 119.43 2k8y h TYR 100 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2k8y h TYR 100 Cb 1.00 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 2k8y h TYR 100 CO 0.10 0.38 0.49 0.93 -1.64 0.00 0.00 178.16 178.42 2k8y h GLU 101 N 0.81 1.19 -0.03 1.82 5.08 -1.02 -0.50 114.58 121.93 2k8y h GLU 101 Ca 0.43 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 2k8y h GLU 101 Cb 0.53 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2k8y h GLU 101 CO -0.19 0.85 -0.22 -0.07 -1.00 0.00 0.00 179.01 178.38 2k8y h LEU 102 N 1.20 0.24 -0.01 1.33 4.07 -1.40 -3.36 115.31 117.37 2k8y h LEU 102 Ca 0.31 -0.69 -0.19 0.00 0.08 0.00 0.00 57.88 57.38 2k8y h LEU 102 Cb -0.00 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 2k8y h LEU 102 CO -0.05 0.90 -0.89 0.16 -1.08 0.00 0.00 178.44 177.47 2k8y h ILE 103 N -0.40 1.54 -1.68 1.22 3.07 -1.33 -3.48 117.51 116.45 2k8y h ILE 103 Ca -0.02 -3.16 -0.33 0.00 1.55 0.00 0.00 64.86 62.90 2k8y h ILE 103 Cb 0.91 2.75 -0.07 0.00 -0.27 0.00 0.00 36.82 40.14 2k8y h ILE 103 CO 0.04 0.87 -0.37 0.61 -1.05 0.00 0.00 178.15 178.25 2k8y n GLY 104 N 1.31 0.52 0.06 0.16 0.00 -0.20 -3.54 105.19 103.51 2k8y n GLY 104 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.99 -0.01 3.75 -0.02 0.00 -1.26 -4.89 105.19 101.76 2k8y n GLY 105 Ca -0.18 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 2k8y n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8y s GLU 106 N -2.68 3.12 -0.14 1.61 2.02 -0.51 -4.89 118.70 117.24 2k8y s GLU 106 Ca 0.01 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.37 2k8y s GLU 106 Cb -0.00 -2.91 -0.02 0.00 0.10 0.00 0.00 34.13 31.29 2k8y s GLU 106 CO 0.01 0.72 1.37 0.42 0.02 0.00 0.00 175.26 177.80 2k8y s ILE 107 N -0.95 4.09 -0.41 -1.63 -1.09 -1.26 -0.64 121.20 119.32 2k8y s ILE 107 Ca 0.15 1.32 0.01 0.00 -2.23 0.00 0.00 60.65 59.90 2k8y s ILE 107 Cb -0.12 -3.85 0.13 0.00 -1.58 0.00 0.00 42.46 37.04 2k8y s ILE 107 CO 0.04 -0.12 0.21 -0.62 -1.23 0.00 0.00 174.94 173.22 2k8y s ASP 108 N 2.35 3.61 0.33 3.58 -1.08 -0.44 -4.93 116.67 120.09 2k8y s ASP 108 Ca 0.60 -2.40 0.07 0.00 -0.52 0.00 0.00 52.55 50.29 2k8y s ASP 108 Cb -0.25 -0.91 0.57 0.00 -1.46 0.00 0.00 42.92 40.87 2k8y s ASP 108 CO 0.19 -0.30 1.79 -0.78 0.52 0.00 0.00 175.17 176.59 2k8y h ASP 109 N 6.99 0.28 0.00 -0.34 3.58 -1.94 -3.19 116.42 121.79 2k8y h ASP 109 Ca -0.02 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.34 2k8y h ASP 109 Cb 0.95 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2k8y h ASP 109 CO 0.45 0.55 0.06 0.77 -2.88 0.00 0.00 179.24 178.19 2k8y h SER 110 N 0.25 0.00 0.49 2.28 4.64 -1.94 0.37 113.55 119.64 2k8y h SER 110 Ca 0.04 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 2k8y h SER 110 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2k8y h SER 110 CO 0.04 0.00 -0.15 -0.37 -0.87 0.00 0.00 176.83 175.48 2k8y h VAL 111 N 0.00 0.58 -0.60 0.95 -1.51 -1.89 -3.18 116.25 110.60 2k8y h VAL 111 Ca 0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2k8y h VAL 111 Cb 0.13 1.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 2k8y h VAL 111 CO 0.00 0.15 0.00 0.18 -1.23 0.00 0.00 177.57 176.67 2k8y n LEU 112 N -3.59 5.39 -0.12 4.19 4.77 0.12 -4.45 117.00 123.31 2k8y n LEU 112 Ca -0.01 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.24 2k8y n LEU 112 Cb 0.29 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2k8y n LEU 112 CO 0.31 0.69 0.27 -1.84 -1.33 0.00 0.00 177.39 175.49 2k8y n GLU 113 N 0.80 0.19 -0.64 3.23 -0.00 -1.20 -2.46 120.64 120.56 2k8y n GLU 113 Ca 0.27 -0.72 0.00 0.00 -0.00 0.00 0.00 57.16 56.71 2k8y n GLU 113 Cb 1.09 -0.55 0.00 0.00 -0.00 0.00 0.00 31.44 31.98 2k8y n GLU 113 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2k8y n ILE 114 N -0.06 -3.41 -4.20 3.84 2.08 -0.87 -4.98 119.36 111.77 2k8y n ILE 114 Ca 0.00 0.65 -0.16 0.00 0.56 0.00 0.00 62.75 63.80 2k8y n ILE 114 Cb 0.54 -2.23 -0.07 0.00 -0.75 0.00 0.00 39.64 37.13 2k8y n ILE 114 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2k8y s ASN 115 N -0.57 1.13 0.20 4.38 4.22 -1.26 -5.05 114.94 117.99 2k8y s ASN 115 Ca 0.00 -1.59 -0.10 0.00 -2.14 0.00 0.00 52.86 49.03 2k8y s ASN 115 Cb 0.00 0.56 0.13 0.00 1.28 0.00 0.00 41.25 43.22 2k8y s ASN 115 CO 0.00 -1.10 1.80 -0.33 -2.04 0.00 0.00 177.10 175.43 2k8y h GLU 116 N 2.21 0.99 -0.30 3.55 4.39 -2.00 -0.47 114.58 122.96 2k8y h GLU 116 Ca -0.28 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.31 2k8y h GLU 116 Cb 1.24 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 2k8y h GLU 116 CO 0.40 0.76 0.17 0.22 -1.16 0.00 0.00 179.01 179.39 2k8y h ASP 117 N 0.97 0.26 0.19 1.42 3.58 -2.00 -2.62 116.42 118.22 2k8y h ASP 117 Ca 0.25 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 2k8y h ASP 117 Cb 0.07 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2k8y h ASP 117 CO -0.04 0.19 -0.30 0.11 -2.88 0.00 0.00 179.24 176.32 2k8y h LYS 118 N 0.34 0.19 0.06 0.28 6.56 -1.71 -3.06 116.57 119.23 2k8y h LYS 118 Ca 0.12 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.64 2k8y h LYS 118 Cb 0.01 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2k8y h LYS 118 CO -0.06 0.48 -0.03 1.49 -2.06 0.00 0.00 179.45 179.26 2k8y h GLU 119 N 0.17 -0.08 -0.26 3.15 4.81 -0.75 -1.13 114.58 120.49 2k8y h GLU 119 Ca 0.02 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 2k8y h GLU 119 Cb 0.63 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2k8y h GLU 119 CO 0.05 0.42 -0.56 0.00 -0.73 0.00 0.00 179.01 178.19 2k8y h ARG 120 N -0.62 0.81 -0.08 1.92 3.08 -1.58 -2.69 114.38 115.21 2k8y h ARG 120 Ca -0.01 -0.52 0.04 0.00 0.07 0.00 0.00 59.98 59.56 2k8y h ARG 120 Cb 0.53 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 2k8y h ARG 120 CO 0.01 1.14 -0.20 1.25 -1.07 0.00 0.00 179.97 181.11 2k8y h LEU 121 N 0.62 -0.61 -1.99 3.04 5.85 -1.59 -2.47 115.31 118.16 2k8y h LEU 121 Ca 0.01 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.89 2k8y h LEU 121 Cb 1.15 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2k8y h LEU 121 CO 0.12 -0.26 0.15 0.40 -0.34 0.00 0.00 178.44 178.52 2k8y h ILE 122 N -0.28 0.90 -0.09 4.05 2.04 -1.13 -0.93 117.51 122.07 2k8y h ILE 122 Ca 0.08 -0.01 -0.15 0.00 1.00 0.00 0.00 64.86 65.78 2k8y h ILE 122 Cb 0.40 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2k8y h ILE 122 CO -0.24 0.00 -0.61 -0.09 0.00 0.00 0.00 178.15 177.21 2k8y h ARG 123 N 0.02 0.32 0.21 2.37 2.43 -1.11 -1.29 114.38 117.32 2k8y h ARG 123 Ca 0.10 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2k8y h ARG 123 Cb 0.38 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2k8y h ARG 123 CO -0.00 0.83 -0.10 0.93 -1.51 0.00 0.00 179.97 180.12 2k8y h GLU 124 N 0.23 -0.27 0.01 0.20 4.39 -0.80 -2.56 114.58 115.78 2k8y h GLU 124 Ca -0.01 0.02 -0.20 0.00 0.34 0.00 0.00 59.36 59.51 2k8y h GLU 124 Cb 1.13 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 2k8y h GLU 124 CO 0.10 0.06 -0.94 -0.84 -1.16 0.00 0.00 179.01 176.23 2k8y h ILE 125 N -0.97 1.64 0.00 3.13 -0.00 -1.48 -3.32 117.51 116.51 2k8y h ILE 125 Ca -0.03 -3.12 -0.34 0.00 -0.00 0.00 0.00 64.86 61.37 2k8y h ILE 125 Cb 0.46 2.70 -0.06 0.00 -0.00 0.00 0.00 36.82 39.92 2k8y h ILE 125 CO 0.05 0.89 -2.11 0.49 -0.00 0.00 0.00 178.15 177.47 2k8y n PHE 126 N -3.46 0.43 -2.82 0.16 3.72 -0.51 -5.07 117.46 109.91 2k8y n PHE 126 Ca -0.01 0.15 -0.03 0.00 -0.05 0.00 0.00 57.45 57.51 2k8y n PHE 126 Cb 0.88 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 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 -2.90 -1.64 -4.67 -1.08 4.76 -0.96 -5.02 118.16 106.65 2k8y n LYS 127 Ca -0.27 1.67 -0.28 0.00 -2.87 0.00 0.00 58.31 56.56 2k8y n LYS 127 Cb 1.11 -5.32 -0.17 0.00 -1.84 0.00 0.00 35.03 28.82 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 -2.74 1.54 -0.66 -0.18 1.01 -1.25 -5.06 121.20 113.84 2k8y s ILE 128 Ca 0.11 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 59.79 2k8y s ILE 128 Cb -0.03 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.08 2k8y s ILE 128 CO 0.68 0.45 1.38 -0.60 0.00 0.00 0.00 174.94 176.85 2k8y s ARG 129 N 0.74 3.18 0.32 2.79 6.06 -1.26 -4.85 118.95 125.93 2k8y s ARG 129 Ca -0.12 0.09 -0.02 0.00 -2.50 0.00 0.00 55.73 53.18 2k8y s ARG 129 Cb -0.16 -4.17 0.07 0.00 0.06 0.00 0.00 34.95 30.74 2k8y s ARG 129 CO 0.02 -2.12 0.44 0.41 -2.50 0.00 0.00 175.30 171.55 2k8y n GLY 130 N 5.35 0.10 1.84 8.12 0.00 -1.26 -5.08 105.19 114.27 2k8y n GLY 130 Ca 0.08 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2k8y n GLY 130 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k8y n PHE 131 N -2.20 -1.87 0.03 1.61 3.72 -1.26 -5.09 117.46 112.40 2k8y n PHE 131 Ca 0.07 0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.80 2k8y n PHE 131 Cb 0.23 0.49 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 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 1.83 -0.39 3.56 1.37 0.00 -1.26 -5.08 105.19 105.22 2k8y n GLY 132 Ca 0.00 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.90 6.29 0.51 1.61 2.47 -1.26 -4.96 114.94 115.70 2k8y s ASN 133 Ca 0.00 -0.05 0.18 0.00 0.42 0.00 0.00 52.86 53.41 2k8y s ASN 133 Cb 0.00 -2.25 1.29 0.00 -1.45 0.00 0.00 41.25 38.84 2k8y s ASN 133 CO 0.00 -0.44 2.13 0.58 -3.72 0.00 0.00 177.10 175.65 2k8y h VAL 134 N 5.58 0.95 0.11 -5.21 2.07 -2.00 -3.18 116.25 114.57 2k8y h VAL 134 Ca -0.28 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2k8y h VAL 134 Cb 1.13 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2k8y h VAL 134 CO 0.75 0.05 -0.05 0.58 0.02 0.00 0.00 177.57 178.92 2k8y h VAL 135 N 0.00 1.06 -0.04 2.57 2.07 -1.95 -1.47 116.25 118.50 2k8y h VAL 135 Ca -0.00 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.82 2k8y h VAL 135 Cb 0.09 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2k8y h VAL 135 CO 0.01 0.16 -0.16 -0.33 0.02 0.00 0.00 177.57 177.27 2k8y h GLU 136 N -0.45 0.05 -0.09 1.57 5.08 -1.98 -1.23 114.58 117.53 2k8y h GLU 136 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2k8y h GLU 136 Cb 0.37 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k8y h GLU 136 CO 0.02 0.21 -0.08 0.00 -1.00 0.00 0.00 179.01 178.16 2k8y h ARG 137 N 0.05 0.22 -0.14 2.33 2.47 -1.49 -2.19 114.38 115.64 2k8y h ARG 137 Ca 0.01 -0.11 -0.18 0.00 -1.26 0.00 0.00 59.98 58.43 2k8y h ARG 137 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 2k8y h ARG 137 CO 0.02 0.64 -0.68 -0.24 0.56 0.00 0.00 179.97 180.27 2k8y h VAL 138 N -0.19 1.34 -0.77 2.04 3.04 -1.15 -2.79 116.25 117.76 2k8y h VAL 138 Ca 0.02 -1.98 0.04 0.00 -1.01 0.00 0.00 66.70 63.76 2k8y h VAL 138 Cb 0.59 1.96 -0.04 0.00 -2.01 0.00 0.00 31.29 31.78 2k8y h VAL 138 CO 0.02 0.61 0.50 -0.07 -1.01 0.00 0.00 177.57 177.63 2k8y h LEU 139 N 0.39 0.79 -0.46 3.16 4.07 -1.27 -0.99 115.31 121.01 2k8y h LEU 139 Ca -0.02 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 2k8y h LEU 139 Cb 1.25 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 2k8y h LEU 139 CO 0.13 0.54 -0.10 -0.33 -1.08 0.00 0.00 178.44 177.60 2k8y h GLU 140 N 0.92 0.88 -0.15 1.13 5.08 -1.16 -2.57 114.58 118.71 2k8y h GLU 140 Ca 0.31 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2k8y h GLU 140 Cb 0.08 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k8y h GLU 140 CO -0.09 0.97 -0.54 -0.22 -1.00 0.00 0.00 179.01 178.13 2k8y h LYS 141 N 0.72 0.62 0.00 2.33 3.64 -1.19 0.77 116.57 123.47 2k8y h LYS 141 Ca 0.12 -0.47 -0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2k8y h LYS 141 Cb 0.64 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2k8y h LYS 141 CO 0.04 1.09 -0.30 -0.84 -2.27 0.00 0.00 179.45 177.18 2k8y h ILE 142 N 0.28 0.62 0.00 2.00 3.07 -1.29 -2.86 117.51 119.32 2k8y h ILE 142 Ca -0.03 -1.46 0.00 0.00 1.55 0.00 0.00 64.86 64.92 2k8y h ILE 142 Cb 1.17 1.99 0.00 0.00 -0.27 0.00 0.00 36.82 39.71 2k8y h ILE 142 CO 0.11 0.29 -1.03 0.00 -1.05 0.00 0.00 178.15 176.48 2k8y n ALA 143 N -2.22 3.22 -0.27 0.16 0.00 -0.97 -4.64 120.51 115.80 2k8y n ALA 143 Ca 0.01 -0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.16 2k8y n ALA 143 Cb 0.53 -1.00 0.21 0.00 0.00 0.00 0.00 19.45 19.20 2k8y n ALA 143 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k8y h LEU 144 N 0.00 -0.07 -0.93 0.00 7.12 -0.59 0.16 115.31 121.00 2k8y h LEU 144 Ca 0.00 0.18 0.21 0.00 0.13 0.00 0.00 57.88 58.40 2k8y h LEU 144 Cb 0.77 0.25 -0.12 0.00 -0.53 0.00 0.00 40.66 41.04 2k8y h LEU 144 CO 0.00 -0.11 0.47 0.40 -0.13 0.00 0.00 178.44 179.08 2k8y h ILE 145 N 0.21 0.55 0.00 4.05 2.04 -1.83 -1.89 117.51 120.64 2k8y h ILE 145 Ca 0.46 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 66.15 2k8y h ILE 145 Cb 0.85 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2k8y h ILE 145 CO -0.60 0.09 -0.57 1.21 0.00 0.00 0.00 178.15 178.28 2k8y n GLU 146 N -4.95 0.40 -0.86 2.37 0.00 0.29 -4.66 120.64 113.23 2k8y n GLU 146 Ca 0.23 0.36 -0.17 0.00 0.00 0.00 0.00 57.16 57.58 2k8y n GLU 146 Cb 0.64 -1.43 0.07 0.00 0.00 0.00 0.00 31.44 30.72 2k8y n GLU 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2k8y n LEU 147 N -4.17 6.07 -4.74 4.31 7.94 0.30 -4.93 117.00 121.78 2k8y n LEU 147 Ca -0.08 -3.17 -0.31 0.00 -1.11 0.00 0.00 56.01 51.34 2k8y n LEU 147 Cb 0.30 -0.91 0.12 0.00 0.53 0.00 0.00 43.42 43.46 2k8y n LEU 147 CO 0.12 1.09 0.69 -1.59 -1.11 0.00 0.00 177.39 176.59 2k8y s LYS 148 N -2.05 1.83 -0.31 1.96 -2.85 -0.71 -4.79 119.74 112.82 2k8y s LYS 148 Ca 0.35 1.26 0.02 0.00 -1.00 0.00 0.00 55.97 56.60 2k8y s LYS 148 Cb 0.28 -1.84 0.40 0.00 -2.06 0.00 0.00 37.83 34.61 2k8y s LYS 148 CO 0.02 -1.97 1.67 1.63 0.10 0.00 0.00 175.35 176.80 2k8y n LYS 149 N -3.76 1.85 0.00 1.78 4.76 -1.26 -5.11 118.16 116.42 2k8y n LYS 149 Ca 0.10 -1.94 0.05 0.00 -2.87 0.00 0.00 58.31 53.65 2k8y n LYS 149 Cb 0.53 -1.76 0.04 0.00 -1.84 0.00 0.00 35.03 32.00 2k8y n LYS 149 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12