#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 0.02 -0.11 4.61 0.00 -1.26 -5.06 121.76 119.96 2k8y s ALA 2 Ca 0.00 -0.80 0.19 0.00 0.00 0.00 0.00 51.96 51.34 2k8y s ALA 2 Cb 0.00 0.40 0.43 0.00 0.00 0.00 0.00 23.12 23.95 2k8y s ALA 2 CO 0.00 -0.45 1.19 -1.33 0.00 0.00 0.00 175.76 175.17 2k8y n MET 3 N 0.05 0.84 -3.07 0.00 2.81 -1.26 -5.01 117.12 111.48 2k8y n MET 3 Ca -0.15 -2.68 -0.07 0.00 -1.81 0.00 0.00 57.70 52.99 2k8y n MET 3 Cb 0.62 -0.82 0.01 0.00 -0.71 0.00 0.00 33.22 32.31 2k8y n MET 3 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2k8y n ASP 4 N -0.29 -7.49 0.19 7.83 9.92 -1.26 -4.98 116.55 120.47 2k8y n ASP 4 Ca 0.13 0.08 -0.15 0.00 -0.53 0.00 0.00 54.79 54.32 2k8y n ASP 4 Cb 0.93 -4.84 -0.08 0.00 -0.64 0.00 0.00 41.12 36.49 2k8y n ASP 4 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2k8y h PRO 5 N 1.08 -0.42 -6.91 -0.24 0.13 -1.95 -3.45 132.00 120.24 2k8y h PRO 5 Ca -0.09 0.03 -0.47 0.00 -0.87 0.00 0.00 66.00 64.60 2k8y h PRO 5 Cb 1.06 0.10 0.06 0.00 0.13 0.00 0.00 31.00 32.34 2k8y h PRO 5 CO 0.26 -0.24 0.01 -1.64 -0.23 0.00 0.00 178.00 176.17 2k8y s MET 6 N -5.87 1.97 -0.48 0.86 -1.94 -1.26 -5.07 119.30 107.51 2k8y s MET 6 Ca -0.15 -1.29 -0.14 0.00 -1.71 0.00 0.00 55.69 52.39 2k8y s MET 6 Cb 0.04 -2.46 0.09 0.00 2.01 0.00 0.00 34.83 34.51 2k8y s MET 6 CO 0.63 -1.17 0.40 0.42 -0.01 0.00 0.00 175.02 175.29 2k8y s ILE 7 N -2.93 5.02 -0.22 2.53 1.01 -0.28 -5.00 121.20 121.33 2k8y s ILE 7 Ca 0.64 -1.26 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2k8y s ILE 7 Cb -0.06 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.32 2k8y s ILE 7 CO 0.42 -0.65 -0.01 -0.63 0.00 0.00 0.00 174.94 174.07 2k8y s ILE 8 N 1.58 3.74 0.03 2.92 1.09 -1.26 -1.28 121.20 128.02 2k8y s ILE 8 Ca 0.04 -0.37 0.04 0.00 -1.10 0.00 0.00 60.65 59.25 2k8y s ILE 8 Cb -0.26 -2.71 -0.02 0.00 -1.06 0.00 0.00 42.46 38.42 2k8y s ILE 8 CO 0.05 0.41 -0.12 -0.13 -0.10 0.00 0.00 174.94 175.04 2k8y s ARG 9 N 1.37 0.81 -0.23 2.79 1.81 -0.74 -4.99 118.95 119.77 2k8y s ARG 9 Ca 0.04 -0.67 -0.08 0.00 -1.72 0.00 0.00 55.73 53.30 2k8y s ARG 9 Cb -0.15 -0.77 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 2k8y s ARG 9 CO -0.00 0.19 0.10 0.20 -0.68 0.00 0.00 175.30 175.11 2k8y s GLY 10 N -1.04 1.88 -0.01 -3.53 0.00 -1.26 -1.22 107.32 102.13 2k8y s GLY 10 Ca -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 43.82 2k8y s GLY 10 CO 0.01 0.34 -0.12 -1.50 0.00 0.00 0.00 173.10 171.83 2k8y s ILE 11 N 1.07 0.95 -0.09 0.90 2.07 -0.99 -0.92 121.20 124.19 2k8y s ILE 11 Ca 0.05 -0.50 0.01 0.00 -1.41 0.00 0.00 60.65 58.80 2k8y s ILE 11 Cb -0.14 -0.81 0.02 0.00 0.13 0.00 0.00 42.46 41.66 2k8y s ILE 11 CO 0.04 0.27 -0.09 -0.13 -1.91 0.00 0.00 174.94 173.12 2k8y s ARG 12 N -0.17 1.58 0.00 3.50 0.52 -0.03 -1.26 118.95 123.10 2k8y s ARG 12 Ca 0.03 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 2k8y s ARG 12 Cb -0.06 -1.50 0.00 0.00 0.52 0.00 0.00 34.95 33.91 2k8y s ARG 12 CO -0.00 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.58 2k8y n GLY 13 N 4.48 0.63 3.55 -3.53 0.00 -0.32 -1.34 105.19 108.66 2k8y n GLY 13 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.05 2.38 -0.47 4.61 0.00 -0.50 -4.31 121.76 121.42 2k8y s ALA 14 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.54 2k8y s ALA 14 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.79 2k8y s ALA 14 CO 0.00 -3.74 1.52 1.03 0.00 0.00 0.00 175.76 174.57 2k8y s ARG 15 N 6.38 3.35 -0.03 0.00 0.52 -0.31 -1.40 118.95 127.46 2k8y s ARG 15 Ca 0.54 0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 56.27 2k8y s ARG 15 Cb -0.09 -4.12 -0.05 0.00 0.52 0.00 0.00 34.95 31.20 2k8y s ARG 15 CO 0.14 -1.85 1.49 0.42 0.02 0.00 0.00 175.30 175.51 2k8y s ILE 16 N 6.23 3.67 0.28 1.52 -1.09 -1.26 -4.35 121.20 126.20 2k8y s ILE 16 Ca 0.62 0.97 0.06 0.00 -2.23 0.00 0.00 60.65 60.06 2k8y s ILE 16 Cb -0.14 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 2k8y s ILE 16 CO 0.29 -0.04 -0.04 0.54 -1.23 0.00 0.00 174.94 174.47 2k8y s ASN 17 N 2.38 2.67 0.36 3.58 6.03 -1.26 -4.82 114.94 123.88 2k8y s ASN 17 Ca 0.67 -1.22 0.27 0.00 -1.03 0.00 0.00 52.86 51.55 2k8y s ASN 17 Cb -0.32 -0.15 0.99 0.00 -3.03 0.00 0.00 41.25 38.74 2k8y s ASN 17 CO 0.26 -0.39 1.79 0.78 -2.03 0.00 0.00 177.10 177.52 2k8y h ASN 18 N 2.26 0.00 0.38 3.54 2.35 -1.99 -3.26 115.58 118.86 2k8y h ASN 18 Ca -0.40 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.23 2k8y h ASN 18 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 2k8y h ASN 18 CO 0.68 0.00 -0.51 -0.08 -1.65 0.00 0.00 177.43 175.87 2k8y h GLU 19 N 0.00 0.15 -0.66 0.81 4.57 -1.98 -2.95 114.58 114.52 2k8y h GLU 19 Ca 0.00 -0.09 0.19 0.00 -1.18 0.00 0.00 59.36 58.29 2k8y h GLU 19 Cb 0.56 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.13 2k8y h GLU 19 CO 0.00 0.63 0.54 -0.84 -1.18 0.00 0.00 179.01 178.15 2k8y h ILE 20 N 0.12 0.51 0.00 2.32 3.07 -1.95 -1.39 117.51 120.18 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 0.94 0.61 -0.00 0.00 -0.27 0.00 0.00 36.82 38.10 2k8y h ILE 20 CO 0.07 0.00 -1.02 0.33 -1.05 0.00 0.00 178.15 176.49 2k8y n PHE 21 N -4.06 0.97 0.69 0.16 7.35 -1.12 -4.21 117.46 117.25 2k8y n PHE 21 Ca 0.13 0.28 0.12 0.00 -0.76 0.00 0.00 57.45 57.22 2k8y n PHE 21 Cb 0.79 -0.96 0.48 0.00 0.35 0.00 0.00 39.48 40.13 2k8y n PHE 21 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k8y n ASN 22 N -2.68 0.40 -0.01 -2.13 5.15 -0.52 -2.26 115.26 113.21 2k8y n ASN 22 Ca -0.00 0.55 0.14 0.00 -0.60 0.00 0.00 54.58 54.67 2k8y n ASN 22 Cb 0.55 -0.66 0.63 0.00 -0.53 0.00 0.00 39.78 39.78 2k8y n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8y n LEU 23 N -1.89 0.06 -1.34 1.20 -0.00 -1.25 -4.94 117.00 108.85 2k8y n LEU 23 Ca 0.05 0.38 -0.15 0.00 -0.00 0.00 0.00 56.01 56.29 2k8y n LEU 23 Cb 0.33 -0.41 -0.06 0.00 -0.00 0.00 0.00 43.42 43.28 2k8y n LEU 23 CO 0.25 0.01 -0.14 0.61 -0.00 0.00 0.00 177.39 178.12 2k8y n GLY 24 N 1.43 1.40 3.93 1.47 0.00 -0.96 -4.97 105.19 107.49 2k8y n GLY 24 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.77 2.69 -0.74 0.99 1.43 -1.26 -5.01 118.68 113.01 2k8y s LEU 25 Ca 0.00 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 2k8y s LEU 25 Cb 0.00 -2.65 0.10 0.00 0.03 0.00 0.00 46.19 43.67 2k8y s LEU 25 CO 0.00 -2.29 0.96 -0.54 0.23 0.00 0.00 176.35 174.71 2k8y s LYS 26 N -5.66 3.27 0.07 1.70 1.02 -1.26 -4.98 119.74 113.89 2k8y s LYS 26 Ca 0.68 -1.28 -0.10 0.00 0.02 0.00 0.00 55.97 55.30 2k8y s LYS 26 Cb -0.07 -4.47 0.01 0.00 -0.52 0.00 0.00 37.83 32.78 2k8y s LYS 26 CO 0.50 -1.74 0.22 -0.59 -0.92 0.00 0.00 175.35 172.82 2k8y s PHE 27 N 3.24 0.06 0.02 3.18 -0.71 -1.26 -3.88 117.98 118.64 2k8y s PHE 27 Ca 0.23 -0.38 0.01 0.00 -1.04 0.00 0.00 56.93 55.75 2k8y s PHE 27 Cb -0.14 -0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.64 2k8y s PHE 27 CO 0.02 -0.51 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.21 2k8y s GLN 28 N -3.25 0.34 -0.09 1.99 -0.44 -0.36 -4.91 119.66 112.94 2k8y s GLN 28 Ca 0.00 -0.50 -0.00 0.00 -2.50 0.00 0.00 55.36 52.35 2k8y s GLN 28 Cb 0.02 -0.10 0.02 0.00 -1.64 0.00 0.00 33.01 31.32 2k8y s GLN 28 CO -0.08 0.01 -0.05 0.42 0.50 0.00 0.00 175.29 176.10 2k8y s ILE 29 N -1.03 0.73 0.49 -2.34 1.01 -1.26 -1.01 121.20 117.79 2k8y s ILE 29 Ca -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.45 2k8y s ILE 29 Cb -0.07 -0.80 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 2k8y s ILE 29 CO -0.00 0.31 0.02 -1.48 0.00 0.00 0.00 174.94 173.79 2k8y s LEU 30 N 1.67 2.28 -0.19 2.97 0.05 -0.88 -3.25 118.68 121.32 2k8y s LEU 30 Ca 0.02 -1.64 -0.29 0.00 0.05 0.00 0.00 54.13 52.27 2k8y s LEU 30 Cb -0.13 -0.64 -0.01 0.00 -2.05 0.00 0.00 46.19 43.36 2k8y s LEU 30 CO -0.05 -0.84 1.25 0.21 -0.55 0.00 0.00 176.35 176.36 2k8y s ASN 31 N -3.82 6.93 0.00 1.48 3.84 -0.36 -0.84 114.94 122.17 2k8y s ASN 31 Ca 0.10 1.61 0.31 0.00 0.21 0.00 0.00 52.86 55.10 2k8y s ASN 31 Cb 0.02 -2.54 1.77 0.00 -0.55 0.00 0.00 41.25 39.96 2k8y s ASN 31 CO 0.06 -0.79 2.16 0.00 -2.79 0.00 0.00 177.10 175.74 2k8y n ALA 32 N 6.70 2.64 0.08 1.71 0.00 -1.21 -3.32 120.51 127.11 2k8y n ALA 32 Ca 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 2k8y n ALA 32 Cb 0.45 -1.50 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 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 0.21 -0.01 0.00 3.58 -1.90 -3.34 116.42 115.05 2k8y h ASP 33 Ca 0.00 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2k8y h ASP 33 Cb 0.09 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k8y h ASP 33 CO 0.00 1.16 -0.21 1.33 -2.88 0.00 0.00 179.24 178.64 2k8y n VAL 34 N -3.46 0.00 -2.69 2.25 0.24 -1.21 -4.75 118.33 108.72 2k8y n VAL 34 Ca -0.04 -0.36 -0.40 0.00 -2.04 0.00 0.00 64.34 61.50 2k8y n VAL 34 Cb 0.97 1.27 -0.06 0.00 -1.47 0.00 0.00 33.84 34.55 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 -2.22 3.94 0.00 3.34 0.11 -1.23 -4.85 120.40 119.48 2k8y s VAL 35 Ca 0.25 1.95 0.00 0.00 -2.93 0.00 0.00 61.98 61.25 2k8y s VAL 35 Cb 0.19 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.80 2k8y s VAL 35 CO 0.43 0.47 0.17 0.00 -3.33 0.00 0.00 175.10 172.84 2k8y n ALA 36 N 1.43 -0.08 -3.82 1.54 0.00 -1.26 -4.78 120.51 113.54 2k8y n ALA 36 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2k8y n ALA 36 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 2k8y n ALA 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k8y n THR 37 N -1.66 0.00 -0.35 0.00 -2.24 -1.26 -2.65 114.28 106.12 2k8y n THR 37 Ca 0.00 -1.44 0.12 0.00 -2.27 0.00 0.00 64.05 60.46 2k8y n THR 37 Cb 0.00 0.85 0.31 0.00 -2.10 0.00 0.00 70.33 69.39 2k8y n THR 37 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2k8y h LYS 38 N 0.00 0.78 -0.39 -0.78 6.56 -1.94 -2.18 116.57 118.62 2k8y h LYS 38 Ca -0.20 -0.05 0.11 0.00 -1.06 0.00 0.00 60.65 59.45 2k8y h LYS 38 Cb 0.91 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.38 2k8y h LYS 38 CO 0.28 0.52 0.28 -0.22 -2.06 0.00 0.00 179.45 178.25 2k8y h LYS 39 N 0.81 0.00 0.05 3.15 1.63 -1.96 0.07 116.57 120.32 2k8y h LYS 39 Ca 0.56 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.35 2k8y h LYS 39 Cb 0.82 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2k8y h LYS 39 CO -0.35 0.00 -0.02 1.25 -3.45 0.00 0.00 179.45 176.88 2k8y h HIS 40 N 0.00 -0.06 0.28 1.91 2.76 -1.73 -2.99 115.15 115.31 2k8y h HIS 40 Ca 0.19 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2k8y h HIS 40 Cb 0.75 0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2k8y h HIS 40 CO 0.00 0.35 -0.14 0.28 -1.30 0.00 0.00 177.93 177.12 2k8y h VAL 41 N -0.49 0.70 -0.58 5.26 2.07 -1.26 -2.89 116.25 119.07 2k8y h VAL 41 Ca -0.01 -0.71 0.10 0.00 0.82 0.00 0.00 66.70 66.90 2k8y h VAL 41 Cb 0.44 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2k8y h VAL 41 CO 0.01 0.13 0.39 0.17 0.02 0.00 0.00 177.57 178.30 2k8y h LEU 42 N -0.80 0.32 -0.40 2.57 8.10 -1.19 0.97 115.31 124.87 2k8y h LEU 42 Ca -0.04 0.01 -0.02 0.00 0.11 0.00 0.00 57.88 57.94 2k8y h LEU 42 Cb 0.51 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.65 2k8y h LEU 42 CO 0.06 0.19 0.19 -0.74 -4.11 0.00 0.00 178.44 174.03 2k8y h HIS 43 N 0.35 0.58 -0.51 0.17 2.76 -1.57 -1.70 115.15 115.24 2k8y h HIS 43 Ca 0.27 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 2k8y h HIS 43 Cb 0.60 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.36 2k8y h HIS 43 CO -0.00 0.49 -0.05 0.00 -1.30 0.00 0.00 177.93 177.07 2k8y h ALA 44 N 1.04 0.96 -0.28 5.26 0.00 -0.62 0.60 119.26 126.21 2k8y h ALA 44 Ca 0.14 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2k8y h ALA 44 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2k8y h ALA 44 CO -0.02 0.62 0.06 0.82 0.00 0.00 0.00 179.25 180.74 2k8y h ILE 45 N 0.81 0.88 -0.02 0.00 2.04 -1.26 -2.32 117.51 117.64 2k8y h ILE 45 Ca 0.14 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2k8y h ILE 45 Cb 0.55 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2k8y h ILE 45 CO 0.03 0.03 -0.23 -1.13 0.00 0.00 0.00 178.15 176.85 2k8y h ASN 46 N 0.17 0.04 -0.46 1.72 -1.24 -0.54 -1.90 115.58 113.37 2k8y h ASN 46 Ca 0.13 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 56.99 2k8y h ASN 46 Cb 0.12 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2k8y h ASN 46 CO -0.16 0.28 -0.27 1.56 -1.29 0.00 0.00 177.43 177.55 2k8y h GLN 47 N 0.04 0.99 0.00 6.67 1.08 -0.68 -2.84 115.11 120.37 2k8y h GLN 47 Ca 0.01 -0.45 -0.05 0.00 -1.45 0.00 0.00 58.65 56.71 2k8y h GLN 47 Cb 0.44 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2k8y h GLN 47 CO 0.03 1.12 -0.22 0.00 -0.95 0.00 0.00 178.83 178.81 2k8y h ALA 48 N 0.84 1.27 0.04 3.87 0.00 -0.82 -1.10 119.26 123.37 2k8y h ALA 48 Ca 0.10 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 2k8y h ALA 48 Cb 0.85 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2k8y h ALA 48 CO 0.08 0.28 -1.03 0.87 0.00 0.00 0.00 179.25 179.44 2k8y h LYS 49 N 0.00 0.11 0.03 0.00 1.57 -1.21 -3.40 116.57 113.68 2k8y h LYS 49 Ca -0.00 -0.17 -0.37 0.00 -1.87 0.00 0.00 60.65 58.24 2k8y h LYS 49 Cb 0.52 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 2k8y h LYS 49 CO 0.03 1.04 -2.09 -2.37 -0.57 0.00 0.00 179.45 175.48 2k8y n THR 50 N -3.48 1.58 -4.10 -0.16 5.66 -1.08 -4.92 114.28 107.78 2k8y n THR 50 Ca -0.03 -0.41 -0.32 0.00 -3.05 0.00 0.00 64.05 60.24 2k8y n THR 50 Cb 0.92 -1.77 -0.16 0.00 -1.55 0.00 0.00 70.33 67.77 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 -2.49 2.82 -0.51 1.09 -0.14 -0.43 -5.10 119.74 114.98 2k8y s LYS 51 Ca -0.32 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 53.41 2k8y s LYS 51 Cb 0.09 -2.45 0.13 0.00 -1.68 0.00 0.00 37.83 33.92 2k8y s LYS 51 CO 0.61 -0.22 0.42 -1.59 -0.76 0.00 0.00 175.35 173.81 2k8y s LYS 52 N 1.34 2.72 0.00 1.68 -2.85 -1.26 -4.29 119.74 117.07 2k8y s LYS 52 Ca 0.05 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.25 2k8y s LYS 52 Cb -0.13 -4.10 0.00 0.00 -2.06 0.00 0.00 37.83 31.55 2k8y s LYS 52 CO -0.12 -1.26 0.17 -0.35 0.10 0.00 0.00 175.35 173.90 2k8y n PRO 53 N 5.02 0.00 -0.06 1.78 -0.04 -1.26 -4.94 135.00 135.50 2k8y n PRO 53 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2k8y n PRO 53 Cb 0.41 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 33.24 2k8y n PRO 53 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2k8y n ILE 54 N -0.42 0.00 -1.79 0.52 -5.35 -1.26 -5.15 119.36 105.92 2k8y n ILE 54 Ca 0.00 0.00 -0.31 0.00 -0.27 0.00 0.00 62.75 62.17 2k8y n ILE 54 Cb 0.00 0.44 0.03 0.00 -1.74 0.00 0.00 39.64 38.36 2k8y n ILE 54 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k8y s ALA 55 N 0.00 2.95 -0.01 -1.28 0.00 -1.26 -5.01 121.76 117.15 2k8y s ALA 55 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 2k8y s ALA 55 Cb 0.00 -3.10 -0.20 0.00 0.00 0.00 0.00 23.12 19.82 2k8y s ALA 55 CO 0.00 -0.90 1.32 0.87 0.00 0.00 0.00 175.76 177.05 2k8y h LYS 56 N -0.47 -0.01 -4.14 0.00 1.79 -2.01 -3.48 116.57 108.25 2k8y h LYS 56 Ca -0.44 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 57.85 2k8y h LYS 56 Cb 1.20 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.74 2k8y h LYS 56 CO 0.61 0.42 -0.35 -1.12 -1.08 0.00 0.00 179.45 177.93 2k8y s SER 57 N -5.62 0.20 0.05 0.86 0.01 -1.26 -5.05 113.70 102.89 2k8y s SER 57 Ca -0.16 -1.22 -0.33 0.00 1.31 0.00 0.00 55.95 55.56 2k8y s SER 57 Cb 0.02 0.51 -0.19 0.00 0.21 0.00 0.00 66.02 66.58 2k8y s SER 57 CO 0.67 -1.04 1.45 0.15 0.41 0.00 0.00 173.24 174.88 2k8y h PHE 58 N 2.38 -1.00 -0.29 2.43 3.57 -1.97 0.13 116.94 122.20 2k8y h PHE 58 Ca -0.30 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.13 2k8y h PHE 58 Cb 1.25 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.30 2k8y h PHE 58 CO 0.57 -0.61 -0.02 -1.49 -2.23 0.00 0.00 178.31 174.53 2k8y h TRP 59 N -1.17 0.46 0.00 0.41 4.06 -1.99 -1.72 115.95 116.00 2k8y h TRP 59 Ca -0.11 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.80 2k8y h TRP 59 Cb 0.84 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 2k8y h TRP 59 CO -0.01 0.48 0.00 0.52 -3.56 0.00 0.00 178.44 175.87 2k8y h MET 60 N 0.43 0.00 0.10 0.49 2.86 -1.90 -2.58 114.93 114.34 2k8y h MET 60 Ca 0.09 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.45 2k8y h MET 60 Cb 0.32 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.00 2k8y h MET 60 CO 0.01 0.00 -1.20 1.49 1.06 0.00 0.00 176.91 178.27 2k8y h GLU 61 N 0.00 0.57 0.02 1.72 4.81 0.15 -3.36 114.58 118.48 2k8y h GLU 61 Ca 0.00 -0.74 0.03 0.00 -0.13 0.00 0.00 59.36 58.51 2k8y h GLU 61 Cb 0.64 0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.23 2k8y h GLU 61 CO 0.00 1.33 -0.22 0.82 -0.73 0.00 0.00 179.01 180.20 2k8y h ILE 62 N 0.26 0.49 -0.76 2.32 2.04 -0.99 -1.38 117.51 119.48 2k8y h ILE 62 Ca -0.17 0.00 0.20 0.00 1.00 0.00 0.00 64.86 65.90 2k8y h ILE 62 Cb 1.87 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.40 2k8y h ILE 62 CO 0.22 0.00 0.54 0.17 0.00 0.00 0.00 178.15 179.08 2k8y h LEU 63 N -0.36 0.11 -0.05 1.44 8.10 -1.74 -2.04 115.31 120.78 2k8y h LEU 63 Ca 0.06 0.01 -0.23 0.00 0.11 0.00 0.00 57.88 57.83 2k8y h LEU 63 Cb 0.43 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 2k8y h LEU 63 CO -0.19 0.05 -1.04 -0.37 -4.11 0.00 0.00 178.44 172.78 2k8y h VAL 64 N 0.11 1.58 -0.24 0.15 -1.51 -1.41 -3.36 116.25 111.56 2k8y h VAL 64 Ca 0.37 -3.05 -0.06 0.00 -1.23 0.00 0.00 66.70 62.72 2k8y h VAL 64 Cb 1.30 2.77 -0.01 0.00 -2.13 0.00 0.00 31.29 33.22 2k8y h VAL 64 CO -0.05 0.88 -0.10 0.03 -1.23 0.00 0.00 177.57 177.11 2k8y h ARG 65 N 0.06 0.49 0.00 5.19 2.47 -0.99 -1.21 114.38 120.39 2k8y h ARG 65 Ca -0.06 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.45 2k8y h ARG 65 Cb 1.76 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 30.06 2k8y h ARG 65 CO 0.16 0.75 -0.00 0.00 0.56 0.00 0.00 179.97 181.43 2k8y h ALA 66 N 0.73 1.01 -0.60 0.04 0.00 -1.67 -1.68 119.26 117.09 2k8y h ALA 66 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k8y h ALA 66 Cb 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k8y h ALA 66 CO 0.03 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 2k8y n SER 67 N -3.10 3.87 -0.44 0.00 3.41 -1.18 -4.92 113.62 111.26 2k8y n SER 67 Ca -0.02 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 2k8y n SER 67 Cb 0.13 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.26 0.87 2.70 5.00 0.00 -0.64 -4.78 105.19 109.60 2k8y n GLY 68 Ca 0.22 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 2k8y n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8y n GLN 69 N -0.44 -3.90 -0.19 1.61 10.64 -0.87 -5.01 117.38 119.22 2k8y n GLN 69 Ca 0.00 3.02 0.00 0.00 -1.83 0.00 0.00 57.00 58.19 2k8y n GLN 69 Cb 0.37 -4.65 0.00 0.00 -0.86 0.00 0.00 30.24 25.10 2k8y n GLN 69 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2k8y n ARG 70 N 1.52 3.58 -4.49 2.61 3.00 -0.51 -4.98 116.66 117.39 2k8y n ARG 70 Ca -0.27 0.00 -0.24 0.00 -0.01 0.00 0.00 57.85 57.33 2k8y n ARG 70 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.79 2k8y n ARG 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2k8y s GLN 71 N 0.71 1.70 0.18 5.56 -0.21 -1.26 -4.88 119.66 121.46 2k8y s GLN 71 Ca 0.00 -1.82 -0.16 0.00 0.02 0.00 0.00 55.36 53.40 2k8y s GLN 71 Cb 0.00 -1.68 0.14 0.00 1.00 0.00 0.00 33.01 32.47 2k8y s GLN 71 CO 0.00 0.24 1.66 0.82 -2.12 0.00 0.00 175.29 175.89 2k8y h ILE 72 N 2.20 0.53 0.49 1.08 5.03 -1.97 -0.90 117.51 123.98 2k8y h ILE 72 Ca -0.41 -0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.31 2k8y h ILE 72 Cb 1.25 0.53 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 2k8y h ILE 72 CO 0.64 0.00 -0.24 0.45 -0.68 0.00 0.00 178.15 178.33 2k8y h HIS 73 N 0.00 -0.61 0.21 1.37 3.86 -1.97 -2.05 115.15 115.95 2k8y h HIS 73 Ca 0.23 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2k8y h HIS 73 Cb 0.34 0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 2k8y h HIS 73 CO -0.40 -0.35 -0.37 0.93 0.86 0.00 0.00 177.93 178.61 2k8y h GLU 74 N -0.73 -0.63 -0.04 2.45 3.07 -1.89 -2.37 114.58 114.44 2k8y h GLU 74 Ca -0.07 0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2k8y h GLU 74 Cb 0.54 0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2k8y h GLU 74 CO 0.11 -0.42 0.02 0.00 -1.40 0.00 0.00 179.01 177.32 2k8y h ALA 75 N -0.13 1.95 -0.41 3.43 0.00 -1.20 -0.25 119.26 122.66 2k8y h ALA 75 Ca 0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2k8y h ALA 75 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2k8y h ALA 75 CO -0.16 0.04 -0.25 0.82 0.00 0.00 0.00 179.25 179.70 2k8y h ILE 76 N 0.05 1.27 -0.19 0.00 2.04 -1.06 0.76 117.51 120.39 2k8y h ILE 76 Ca 0.01 -1.39 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 2k8y h ILE 76 Cb 0.01 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2k8y h ILE 76 CO -0.00 0.47 -0.13 0.11 0.00 0.00 0.00 178.15 178.60 2k8y h LYS 77 N 0.73 0.43 0.17 2.37 1.57 -0.64 -1.51 116.57 119.69 2k8y h LYS 77 Ca 0.09 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2k8y h LYS 77 Cb 0.79 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2k8y h LYS 77 CO 0.07 0.74 -0.08 0.82 -0.57 0.00 0.00 179.45 180.43 2k8y h ILE 78 N 0.11 0.00 0.00 1.86 2.04 -1.15 -3.41 117.51 116.96 2k8y h ILE 78 Ca 0.04 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2k8y h ILE 78 Cb 0.63 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 2k8y h ILE 78 CO 0.03 0.00 -0.41 2.30 0.00 0.00 0.00 178.15 180.07 2k8y n ILE 79 N -3.23 1.82 -1.65 -0.67 -5.35 0.19 -5.00 119.36 105.46 2k8y n ILE 79 Ca -0.03 -2.64 -0.30 0.00 -0.27 0.00 0.00 62.75 59.51 2k8y n ILE 79 Cb 0.09 -0.09 0.22 0.00 -1.74 0.00 0.00 39.64 38.12 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 -2.93 1.75 0.38 3.28 0.00 -0.57 -1.22 107.32 108.01 2k8y s GLY 80 Ca 0.34 -1.25 -0.25 0.00 0.00 0.00 0.00 44.72 43.57 2k8y s GLY 80 CO -0.05 -0.38 1.11 0.00 0.00 0.00 0.00 173.10 173.78 2k8y s ALA 81 N -3.65 3.15 -0.03 3.20 0.00 -1.20 -2.39 121.76 120.84 2k8y s ALA 81 Ca 0.75 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 53.38 2k8y s ALA 81 Cb -0.04 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2k8y s ALA 81 CO 0.54 -0.34 0.37 -1.59 0.00 0.00 0.00 175.76 174.75 2k8y s LYS 82 N -2.27 0.71 0.62 0.00 -2.85 -1.26 -4.95 119.74 109.74 2k8y s LYS 82 Ca 0.56 -0.07 -0.18 0.00 -1.00 0.00 0.00 55.97 55.28 2k8y s LYS 82 Cb -0.27 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 35.80 2k8y s LYS 82 CO 0.34 -0.20 1.19 0.16 0.10 0.00 0.00 175.35 176.94 2k8y s ASP 83 N -1.19 5.06 0.00 0.03 -4.77 -1.26 -4.55 116.67 109.99 2k8y s ASP 83 Ca -0.12 2.31 0.00 0.00 -3.30 0.00 0.00 52.55 51.44 2k8y s ASP 83 Cb -0.04 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 2k8y s ASP 83 CO 0.05 -1.67 0.00 0.61 0.70 0.00 0.00 175.17 174.85 2k8y n GLY 84 N 0.33 0.84 3.52 2.12 0.00 -0.49 -4.89 105.19 106.60 2k8y n GLY 84 Ca 0.13 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 6.29 0.06 1.61 0.02 -1.26 -1.17 114.94 116.49 2k8y s ASN 85 Ca 0.00 -0.46 0.01 0.00 -1.02 0.00 0.00 52.86 51.39 2k8y s ASN 85 Cb 0.00 -2.46 -0.03 0.00 0.02 0.00 0.00 41.25 38.78 2k8y s ASN 85 CO 0.00 -1.38 -0.05 0.54 0.02 0.00 0.00 177.10 176.23 2k8y s VAL 86 N 4.30 0.43 -0.22 1.60 0.11 -0.39 -3.28 120.40 122.95 2k8y s VAL 86 Ca 0.30 -1.54 -0.06 0.00 -2.93 0.00 0.00 61.98 57.75 2k8y s VAL 86 Cb -0.12 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 2k8y s VAL 86 CO 0.17 -0.74 0.04 0.00 -3.33 0.00 0.00 175.10 171.25 2k8y s LEU 88 N 1.24 4.22 -0.19 0.00 1.98 -0.35 -2.08 118.68 123.49 2k8y s LEU 88 Ca 0.04 0.50 0.01 0.00 -2.89 0.00 0.00 54.13 51.80 2k8y s LEU 88 Cb -0.15 -2.41 0.03 0.00 0.66 0.00 0.00 46.19 44.32 2k8y s LEU 88 CO 0.02 0.05 -0.18 -0.63 -1.89 0.00 0.00 176.35 173.72 2k8y s ILE 89 N 0.72 2.05 0.11 6.68 1.01 -0.18 -1.80 121.20 129.80 2k8y s ILE 89 Ca 0.17 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 2k8y s ILE 89 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 2k8y s ILE 89 CO 0.05 0.42 0.19 0.00 0.00 0.00 0.00 174.94 175.59 2k8y n GLU 91 N -0.09 0.61 -4.67 0.00 1.02 -1.25 -1.13 120.64 115.12 2k8y n GLU 91 Ca -0.12 0.46 -0.33 0.00 -0.02 0.00 0.00 57.16 57.15 2k8y n GLU 91 Cb 0.63 -1.69 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 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 -6.98 4.42 0.56 1.62 1.11 -1.26 -4.63 116.67 111.51 2k8y s ASP 92 Ca -0.30 -0.14 0.25 0.00 0.18 0.00 0.00 52.55 52.55 2k8y s ASP 92 Cb 0.08 -1.29 1.54 0.00 1.07 0.00 0.00 42.92 44.32 2k8y s ASP 92 CO 0.61 0.29 2.12 -0.33 1.18 0.00 0.00 175.17 179.03 2k8y h GLU 93 N 5.80 0.00 -0.24 8.23 5.08 -1.99 -1.00 114.58 130.47 2k8y h GLU 93 Ca -0.41 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.82 2k8y h GLU 93 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k8y h GLU 93 CO 0.54 0.00 -0.36 1.05 -1.00 0.00 0.00 179.01 179.24 2k8y h GLU 94 N 0.00 0.66 -0.49 2.33 -0.00 -1.99 -1.96 114.58 113.14 2k8y h GLU 94 Ca 0.08 -0.40 -0.08 0.00 -0.00 0.00 0.00 59.36 58.96 2k8y h GLU 94 Cb 0.40 0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.16 2k8y h GLU 94 CO -0.00 1.01 -0.03 1.15 -0.00 0.00 0.00 179.01 181.14 2k8y h THR 95 N 0.37 1.25 -0.62 -1.06 2.02 -1.72 -0.73 112.91 112.43 2k8y h THR 95 Ca 0.02 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2k8y h THR 95 Cb 0.95 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2k8y h THR 95 CO 0.08 0.38 0.32 0.15 0.37 0.00 0.00 175.52 176.83 2k8y h PHE 96 N 0.77 0.86 -0.78 3.16 3.57 -1.20 -1.91 116.94 121.42 2k8y h PHE 96 Ca 0.14 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2k8y h PHE 96 Cb 0.51 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2k8y h PHE 96 CO 0.03 0.63 0.37 -0.09 -2.23 0.00 0.00 178.31 177.02 2k8y h ARG 97 N 0.84 1.12 0.03 1.11 9.65 -0.96 -1.10 114.38 125.07 2k8y h ARG 97 Ca 0.22 -0.16 0.02 0.00 -1.10 0.00 0.00 59.98 58.95 2k8y h ARG 97 Cb 0.07 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 2k8y h ARG 97 CO -0.03 0.87 -0.12 0.87 2.80 0.00 0.00 179.97 184.36 2k8y h LYS 98 N 1.10 -0.21 -0.35 0.20 1.79 -0.69 -2.27 116.57 116.14 2k8y h LYS 98 Ca 0.27 0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.70 2k8y h LYS 98 Cb 0.12 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2k8y h LYS 98 CO -0.03 -0.14 0.00 0.82 -1.08 0.00 0.00 179.45 179.02 2k8y h ILE 99 N -0.22 1.26 -0.99 1.86 1.08 -1.26 -2.84 117.51 116.40 2k8y h ILE 99 Ca 0.03 -0.97 0.23 0.00 -0.39 0.00 0.00 64.86 63.77 2k8y h ILE 99 Cb 0.26 1.19 -0.12 0.00 -3.07 0.00 0.00 36.82 35.08 2k8y h ILE 99 CO -0.10 0.32 0.58 0.22 -0.69 0.00 0.00 178.15 178.48 2k8y h TYR 100 N 0.43 0.99 -0.33 1.37 3.20 -1.06 -1.60 116.97 119.97 2k8y h TYR 100 Ca 0.10 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2k8y h TYR 100 Cb 0.45 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2k8y h TYR 100 CO 0.04 0.08 0.21 0.93 -1.64 0.00 0.00 178.16 177.78 2k8y h GLU 101 N 0.59 0.41 -0.09 1.82 4.39 -1.15 -0.99 114.58 119.56 2k8y h GLU 101 Ca 0.62 -0.02 -0.20 0.00 0.34 0.00 0.00 59.36 60.10 2k8y h GLU 101 Cb 1.15 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2k8y h GLU 101 CO -0.46 0.27 -0.78 -0.07 -1.16 0.00 0.00 179.01 176.81 2k8y h LEU 102 N 0.42 0.61 0.06 1.33 -0.00 -1.43 -3.37 115.31 112.93 2k8y h LEU 102 Ca 0.13 -0.41 -0.08 0.00 -0.00 0.00 0.00 57.88 57.51 2k8y h LEU 102 Cb -0.02 -0.18 0.01 0.00 -0.00 0.00 0.00 40.66 40.46 2k8y h LEU 102 CO -0.04 1.18 -0.38 0.16 -0.00 0.00 0.00 178.44 179.35 2k8y h ILE 103 N 0.34 1.65 -4.54 1.22 3.07 -1.24 -3.45 117.51 114.56 2k8y h ILE 103 Ca -0.04 -2.42 0.00 0.00 1.55 0.00 0.00 64.86 63.95 2k8y h ILE 103 Cb 1.37 3.28 -0.05 0.00 -0.27 0.00 0.00 36.82 41.15 2k8y h ILE 103 CO 0.14 0.65 -0.99 0.61 -1.05 0.00 0.00 178.15 177.51 2k8y n GLY 104 N 1.63 -4.37 0.00 0.16 0.00 -0.39 -1.17 105.19 101.06 2k8y n GLY 104 Ca -0.12 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.92 2.25 3.55 -0.02 0.00 -1.26 -3.71 105.19 106.92 2k8y n GLY 105 Ca -0.17 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.82 3.21 -0.15 1.61 2.12 -0.45 -4.87 118.70 118.34 2k8y s GLU 106 Ca 0.00 -0.53 -0.29 0.00 0.36 0.00 0.00 54.97 54.51 2k8y s GLU 106 Cb 0.00 -2.75 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 2k8y s GLU 106 CO 0.00 0.46 1.10 0.42 -0.54 0.00 0.00 175.26 176.70 2k8y s ILE 107 N -0.25 4.57 -0.32 -3.70 -1.09 -1.26 -0.85 121.20 118.30 2k8y s ILE 107 Ca 0.04 1.88 -0.01 0.00 -2.23 0.00 0.00 60.65 60.33 2k8y s ILE 107 Cb -0.13 -4.21 0.13 0.00 -1.58 0.00 0.00 42.46 36.67 2k8y s ILE 107 CO 0.02 -0.09 0.25 -0.62 -1.23 0.00 0.00 174.94 173.27 2k8y s ASP 108 N 1.35 2.31 0.42 3.58 2.15 -0.09 -4.99 116.67 121.41 2k8y s ASP 108 Ca 0.49 -1.30 0.29 0.00 0.43 0.00 0.00 52.55 52.46 2k8y s ASP 108 Cb -0.19 0.13 1.32 0.00 -0.30 0.00 0.00 42.92 43.88 2k8y s ASP 108 CO 0.13 -0.37 1.88 0.44 -0.17 0.00 0.00 175.17 177.09 2k8y h ASP 109 N 7.87 0.00 0.00 -0.34 5.19 -1.94 -3.07 116.42 124.13 2k8y h ASP 109 Ca -0.08 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2k8y h ASP 109 Cb 1.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 2k8y h ASP 109 CO 0.33 0.00 -0.00 -1.28 -3.12 0.00 0.00 179.24 175.16 2k8y h SER 110 N 0.00 0.00 0.64 6.45 0.87 -1.95 -0.91 113.55 118.64 2k8y h SER 110 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2k8y h SER 110 Cb 0.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2k8y h SER 110 CO 0.00 0.00 -0.08 1.62 -0.53 0.00 0.00 176.83 177.85 2k8y h VAL 111 N 0.00 0.27 -0.53 2.23 3.04 -1.91 -2.38 116.25 116.97 2k8y h VAL 111 Ca -0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2k8y h VAL 111 Cb 0.00 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 2k8y h VAL 111 CO 0.00 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 176.81 2k8y n LEU 112 N -3.30 4.87 -0.25 3.16 4.77 -0.36 -4.52 117.00 121.37 2k8y n LEU 112 Ca -0.01 -2.72 0.04 0.00 -0.03 0.00 0.00 56.01 53.29 2k8y n LEU 112 Cb 0.27 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 2k8y n LEU 112 CO 0.28 0.71 0.30 -1.84 -1.33 0.00 0.00 177.39 175.51 2k8y n GLU 113 N 0.59 1.00 -0.27 3.23 0.28 -0.90 -3.54 120.64 121.04 2k8y n GLU 113 Ca 0.25 -0.78 0.00 0.00 -0.16 0.00 0.00 57.16 56.47 2k8y n GLU 113 Cb 0.98 -1.09 0.00 0.00 1.43 0.00 0.00 31.44 32.76 2k8y n GLU 113 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2k8y n ILE 114 N 0.13 -1.72 -3.51 3.84 2.08 -1.08 -4.93 119.36 114.16 2k8y n ILE 114 Ca 0.04 0.40 -0.04 0.00 0.56 0.00 0.00 62.75 63.71 2k8y n ILE 114 Cb 0.18 -0.56 -0.00 0.00 -0.75 0.00 0.00 39.64 38.51 2k8y n ILE 114 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2k8y n ASN 115 N -0.97 -0.63 0.05 4.38 6.94 -1.26 -5.05 115.26 118.71 2k8y n ASN 115 Ca 0.00 -1.61 -0.06 0.00 -0.02 0.00 0.00 54.58 52.89 2k8y n ASN 115 Cb 0.00 1.10 0.11 0.00 -2.36 0.00 0.00 39.78 38.63 2k8y n ASN 115 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2k8y h GLU 116 N 0.00 0.37 -0.22 -3.83 4.81 -2.01 -1.87 114.58 111.83 2k8y h GLU 116 Ca -0.11 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 2k8y h GLU 116 Cb 0.42 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2k8y h GLU 116 CO 0.14 0.82 0.07 -0.44 -0.73 0.00 0.00 179.01 178.87 2k8y h ASP 117 N 0.28 0.32 -0.30 1.04 3.32 -2.01 -2.53 116.42 116.55 2k8y h ASP 117 Ca 0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 2k8y h ASP 117 Cb 1.05 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 2k8y h ASP 117 CO 0.09 0.44 0.12 0.11 -1.72 0.00 0.00 179.24 178.28 2k8y h LYS 118 N 0.18 0.52 0.17 3.56 6.56 -1.85 -3.17 116.57 122.55 2k8y h LYS 118 Ca 0.07 -0.07 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2k8y h LYS 118 Cb 0.23 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2k8y h LYS 118 CO -0.00 0.46 -0.08 1.49 -2.06 0.00 0.00 179.45 179.25 2k8y h GLU 119 N 0.52 -0.22 -0.32 3.15 4.81 -0.93 0.06 114.58 121.64 2k8y h GLU 119 Ca 0.13 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 2k8y h GLU 119 Cb 0.15 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2k8y h GLU 119 CO -0.01 -0.06 -0.46 0.07 -0.73 0.00 0.00 179.01 177.82 2k8y h ARG 120 N -0.34 0.84 -0.06 1.92 0.11 -1.51 -2.82 114.38 112.52 2k8y h ARG 120 Ca -0.02 -0.48 -0.16 0.00 0.10 0.00 0.00 59.98 59.42 2k8y h ARG 120 Cb 0.27 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2k8y h ARG 120 CO 0.04 1.12 -0.66 1.37 0.10 0.00 0.00 179.97 181.94 2k8y h LEU 121 N 0.67 0.30 -1.07 0.08 8.10 -1.52 -3.15 115.31 118.72 2k8y h LEU 121 Ca 0.04 -0.18 -0.01 0.00 0.11 0.00 0.00 57.88 57.83 2k8y h LEU 121 Cb 1.05 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 41.14 2k8y h LEU 121 CO 0.10 0.87 0.47 0.40 -4.11 0.00 0.00 178.44 176.18 2k8y h ILE 122 N 0.18 1.23 0.00 0.15 2.04 -0.87 -1.94 117.51 118.30 2k8y h ILE 122 Ca -0.01 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 2k8y h ILE 122 Cb 1.19 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2k8y h ILE 122 CO 0.10 0.25 -0.27 0.08 0.00 0.00 0.00 178.15 178.31 2k8y h ARG 123 N 1.13 0.00 0.69 2.37 0.11 -1.52 -1.81 114.38 115.35 2k8y h ARG 123 Ca 0.29 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.34 2k8y h ARG 123 Cb -0.02 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.07 2k8y h ARG 123 CO -0.05 0.27 -0.33 1.49 0.10 0.00 0.00 179.97 181.45 2k8y h GLU 124 N 0.00 -0.89 0.09 0.08 4.57 -1.31 -1.68 114.58 115.43 2k8y h GLU 124 Ca -0.00 0.06 -0.26 0.00 -1.18 0.00 0.00 59.36 57.98 2k8y h GLU 124 Cb 0.90 0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2k8y h GLU 124 CO 0.03 -0.57 -1.14 -0.84 -1.18 0.00 0.00 179.01 175.32 2k8y h ILE 125 N -1.13 1.43 0.01 2.32 -2.65 -1.54 -3.34 117.51 112.61 2k8y h ILE 125 Ca -0.09 -2.76 -0.28 0.00 1.03 0.00 0.00 64.86 62.75 2k8y h ILE 125 Cb 0.74 2.73 -0.04 0.00 -2.05 0.00 0.00 36.82 38.20 2k8y h ILE 125 CO 0.16 0.82 -1.58 -0.26 0.03 0.00 0.00 178.15 177.31 2k8y h PHE 126 N 0.15 0.05 -5.38 0.16 0.04 -1.51 -3.50 116.94 106.95 2k8y h PHE 126 Ca -0.12 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.59 2k8y h PHE 126 Cb 1.83 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.98 2k8y h PHE 126 CO 0.07 1.07 -0.35 1.63 -0.60 0.00 0.00 178.31 180.13 2k8y n LYS 127 N -3.15 -1.96 -4.91 1.51 4.76 -0.63 -4.99 118.16 108.79 2k8y n LYS 127 Ca -0.15 1.85 -0.31 0.00 -2.87 0.00 0.00 58.31 56.83 2k8y n LYS 127 Cb 1.03 -5.55 -0.17 0.00 -1.84 0.00 0.00 35.03 28.51 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 -2.73 1.95 -0.55 -0.18 1.01 -1.25 -5.08 121.20 114.38 2k8y s ILE 128 Ca 0.16 -0.94 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 2k8y s ILE 128 Cb -0.04 -1.71 0.04 0.00 0.01 0.00 0.00 42.46 40.76 2k8y s ILE 128 CO 0.77 0.53 0.94 -0.60 0.00 0.00 0.00 174.94 176.58 2k8y s ARG 129 N 0.60 3.33 0.00 2.79 6.06 -1.26 -4.92 118.95 125.55 2k8y s ARG 129 Ca -0.13 -0.27 0.00 0.00 -2.50 0.00 0.00 55.73 52.83 2k8y s ARG 129 Cb -0.17 -4.05 0.00 0.00 0.06 0.00 0.00 34.95 30.79 2k8y s ARG 129 CO 0.04 -1.48 0.00 0.41 -2.50 0.00 0.00 175.30 171.77 2k8y n GLY 130 N 5.12 1.27 0.00 8.12 0.00 -1.26 -5.14 105.19 113.30 2k8y n GLY 130 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2k8y n GLY 130 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k8y n PHE 131 N -0.02 -1.80 0.00 1.61 -1.74 -1.26 -5.02 117.46 109.23 2k8y n PHE 131 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 2k8y n PHE 131 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 2k8y n PHE 131 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k8y n GLY 132 N 5.00 1.57 3.60 4.97 0.00 -1.26 -4.73 105.19 114.33 2k8y n GLY 132 Ca 0.00 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 6.19 0.49 1.61 2.47 -1.26 -4.98 114.94 115.47 2k8y s ASN 133 Ca 0.00 0.17 0.23 0.00 0.42 0.00 0.00 52.86 53.68 2k8y s ASN 133 Cb 0.00 -2.19 1.28 0.00 -1.45 0.00 0.00 41.25 38.89 2k8y s ASN 133 CO 0.00 -0.17 2.03 0.58 -3.72 0.00 0.00 177.10 175.81 2k8y h VAL 134 N 5.40 0.74 -0.19 -5.21 2.07 -1.95 -2.63 116.25 114.48 2k8y h VAL 134 Ca -0.32 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 2k8y h VAL 134 Cb 1.17 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 2k8y h VAL 134 CO 0.63 0.16 -0.03 0.58 0.02 0.00 0.00 177.57 178.92 2k8y h VAL 135 N 0.00 1.28 -0.55 2.57 2.07 -1.93 -1.16 116.25 118.52 2k8y h VAL 135 Ca -0.00 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 2k8y h VAL 135 Cb 0.38 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2k8y h VAL 135 CO 0.02 0.29 -0.05 -0.33 0.02 0.00 0.00 177.57 177.52 2k8y h GLU 136 N 0.08 1.00 -0.42 1.57 5.08 -1.96 -3.09 114.58 116.84 2k8y h GLU 136 Ca 0.05 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 2k8y h GLU 136 Cb 0.46 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2k8y h GLU 136 CO 0.02 1.03 -0.22 0.00 -1.00 0.00 0.00 179.01 178.83 2k8y h ARG 137 N 0.88 0.84 -0.26 2.33 2.47 -1.24 -0.97 114.38 118.43 2k8y h ARG 137 Ca 0.15 -0.35 -0.12 0.00 -1.26 0.00 0.00 59.98 58.40 2k8y h ARG 137 Cb 0.61 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.89 2k8y h ARG 137 CO 0.04 0.98 -0.31 -0.24 0.56 0.00 0.00 179.97 181.01 2k8y h VAL 138 N 0.73 1.31 -0.61 2.04 3.04 -1.28 -2.48 116.25 119.00 2k8y h VAL 138 Ca 0.10 -1.49 -0.02 0.00 -1.01 0.00 0.00 66.70 64.28 2k8y h VAL 138 Cb 0.76 1.65 -0.03 0.00 -2.01 0.00 0.00 31.29 31.66 2k8y h VAL 138 CO 0.06 0.47 0.31 -0.07 -1.01 0.00 0.00 177.57 177.33 2k8y h LEU 139 N 0.40 0.79 -0.62 3.16 4.07 -1.44 -1.42 115.31 120.25 2k8y h LEU 139 Ca 0.04 -0.12 0.05 0.00 0.08 0.00 0.00 57.88 57.93 2k8y h LEU 139 Cb 0.88 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 42.37 2k8y h LEU 139 CO 0.07 0.68 0.34 -0.33 -1.08 0.00 0.00 178.44 178.13 2k8y h GLU 140 N 0.84 0.63 -0.08 1.13 5.08 -1.13 -0.57 114.58 120.48 2k8y h GLU 140 Ca 0.21 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2k8y h GLU 140 Cb 0.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2k8y h GLU 140 CO -0.03 0.41 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.98 2k8y h LYS 141 N 0.64 0.27 -0.00 2.33 3.64 -1.24 -2.59 116.57 119.63 2k8y h LYS 141 Ca 0.27 -0.19 -0.20 0.00 -1.27 0.00 0.00 60.65 59.26 2k8y h LYS 141 Cb 0.15 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2k8y h LYS 141 CO -0.17 0.79 -0.88 -0.84 -2.27 0.00 0.00 179.45 176.08 2k8y h ILE 142 N -0.21 1.46 -0.01 2.00 3.07 -1.22 -3.26 117.51 119.34 2k8y h ILE 142 Ca -0.00 -2.54 0.00 0.00 1.55 0.00 0.00 64.86 63.87 2k8y h ILE 142 Cb 0.80 2.43 0.00 0.00 -0.27 0.00 0.00 36.82 39.78 2k8y h ILE 142 CO 0.04 0.75 -0.35 0.00 -1.05 0.00 0.00 178.15 177.54 2k8y n ALA 143 N -2.49 3.29 -0.01 0.16 0.00 -0.23 -4.02 120.51 117.21 2k8y n ALA 143 Ca -0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 2k8y n ALA 143 Cb 0.81 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 2.01 0.12 -0.64 0.00 5.85 -1.49 -2.40 115.31 118.76 2k8y h LEU 144 Ca 0.00 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 2k8y h LEU 144 Cb 0.65 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2k8y h LEU 144 CO 0.00 0.14 -0.45 0.40 -0.34 0.00 0.00 178.44 178.18 2k8y h ILE 145 N 0.10 1.31 0.00 4.05 2.04 -1.78 -3.18 117.51 120.05 2k8y h ILE 145 Ca 0.04 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.25 2k8y h ILE 145 Cb 0.04 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2k8y h ILE 145 CO -0.01 0.52 0.00 -0.62 0.00 0.00 0.00 178.15 178.04 2k8y n GLU 146 N -4.00 0.06 -0.92 2.37 -0.58 -1.01 -4.85 120.64 111.71 2k8y n GLU 146 Ca -0.02 0.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 2k8y n GLU 146 Cb 0.54 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 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 -1.37 0.00 0.00 -4.62 4.77 -0.94 -4.97 117.00 109.87 2k8y n LEU 147 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2k8y n LEU 147 Cb 0.07 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2k8y n LEU 147 CO 0.06 0.00 0.00 2.29 -1.33 0.00 0.00 177.39 178.41 2k8y n LYS 148 N -2.92 0.00 -0.25 3.23 2.85 -1.09 -5.04 118.16 114.94 2k8y n LYS 148 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2k8y n LYS 148 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2k8y n LYS 148 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2k8y n LYS 149 N 0.00 0.87 0.00 -1.58 2.85 -1.26 -4.79 118.16 114.26 2k8y n LYS 149 Ca 0.00 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 2k8y n LYS 149 Cb 0.00 -1.06 0.01 0.00 -0.65 0.00 0.00 35.03 33.33 2k8y n LYS 149 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74