#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 2.71 0.00 4.61 0.00 -1.26 -2.03 121.76 125.79 2k8y s ALA 2 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 2k8y s ALA 2 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.98 2k8y s ALA 2 CO 0.00 -3.09 0.00 -1.33 0.00 0.00 0.00 175.76 171.34 2k8y n MET 3 N 8.78 0.00 -3.01 0.00 0.00 -1.26 -5.02 117.12 116.61 2k8y n MET 3 Ca 0.14 0.09 -0.11 0.00 0.00 0.00 0.00 57.70 57.81 2k8y n MET 3 Cb 0.49 -0.79 -0.03 0.00 0.00 0.00 0.00 33.22 32.90 2k8y n MET 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2k8y s ASP 4 N -2.20 -0.47 -0.01 7.83 2.15 -0.86 -5.10 116.67 118.01 2k8y s ASP 4 Ca 0.00 -2.02 -0.13 0.00 0.43 0.00 0.00 52.55 50.83 2k8y s ASP 4 Cb 0.00 1.17 -0.07 0.00 -0.30 0.00 0.00 42.92 43.71 2k8y s ASP 4 CO 0.00 -0.11 0.73 1.55 -0.17 0.00 0.00 175.17 177.17 2k8y h PRO 5 N 5.49 -0.45 -6.81 4.34 0.13 -1.96 0.35 132.00 133.08 2k8y h PRO 5 Ca 0.12 0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.82 2k8y h PRO 5 Cb 1.06 0.10 0.05 0.00 0.13 0.00 0.00 31.00 32.34 2k8y h PRO 5 CO 0.13 -0.30 -0.04 -1.64 -0.23 0.00 0.00 178.00 175.91 2k8y s MET 6 N -3.27 2.23 -0.43 0.86 -1.94 -1.26 -4.52 119.30 110.97 2k8y s MET 6 Ca -0.07 -1.22 -0.07 0.00 -1.71 0.00 0.00 55.69 52.62 2k8y s MET 6 Cb 0.01 -2.53 0.11 0.00 2.01 0.00 0.00 34.83 34.42 2k8y s MET 6 CO 0.21 -0.93 0.27 0.42 -0.01 0.00 0.00 175.02 174.97 2k8y s ILE 7 N -2.79 3.87 -0.20 2.53 1.01 -0.40 -4.90 121.20 120.32 2k8y s ILE 7 Ca 0.61 -1.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 2k8y s ILE 7 Cb -0.07 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2k8y s ILE 7 CO 0.40 -0.67 -0.03 -0.63 0.00 0.00 0.00 174.94 174.01 2k8y s ILE 8 N 1.30 3.67 0.05 2.92 -1.09 -1.26 -1.40 121.20 125.40 2k8y s ILE 8 Ca 0.06 -0.41 0.09 0.00 -2.23 0.00 0.00 60.65 58.15 2k8y s ILE 8 Cb -0.24 -2.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 2k8y s ILE 8 CO -0.01 0.44 -0.25 -0.13 -1.23 0.00 0.00 174.94 173.76 2k8y s ARG 9 N 1.04 1.62 -0.13 2.79 3.00 -0.50 -4.97 118.95 121.80 2k8y s ARG 9 Ca 0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 55.73 54.61 2k8y s ARG 9 Cb -0.15 -1.81 -0.04 0.00 0.00 0.00 0.00 34.95 32.96 2k8y s ARG 9 CO 0.01 0.46 0.08 0.20 0.00 0.00 0.00 175.30 176.05 2k8y s GLY 10 N -1.30 2.01 -0.12 -3.53 0.00 -1.26 -1.25 107.32 101.87 2k8y s GLY 10 Ca 0.10 -0.71 -0.11 0.00 0.00 0.00 0.00 44.72 44.01 2k8y s GLY 10 CO 0.02 -0.33 0.32 -1.50 0.00 0.00 0.00 173.10 171.61 2k8y s ILE 11 N -0.65 -0.00 -0.10 0.90 2.07 -1.09 -1.01 121.20 121.32 2k8y s ILE 11 Ca 0.12 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2k8y s ILE 11 Cb -0.12 -0.45 0.01 0.00 0.13 0.00 0.00 42.46 42.03 2k8y s ILE 11 CO 0.02 0.01 -0.16 -0.13 -1.91 0.00 0.00 174.94 172.77 2k8y s ARG 12 N 0.33 2.21 0.00 3.50 0.52 -0.33 -1.88 118.95 123.29 2k8y s ARG 12 Ca -0.01 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 2k8y s ARG 12 Cb -0.03 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.60 2k8y s ARG 12 CO -0.01 -0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.70 2k8y n GLY 13 N 4.05 0.52 3.56 -3.53 0.00 -0.63 -1.35 105.19 107.81 2k8y n GLY 13 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.10 1.72 -0.49 4.61 0.00 -0.78 -4.34 121.76 120.38 2k8y s ALA 14 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 2k8y s ALA 14 Cb 0.00 -4.45 -0.02 0.00 0.00 0.00 0.00 23.12 18.65 2k8y s ALA 14 CO 0.00 -4.60 1.84 1.03 0.00 0.00 0.00 175.76 174.03 2k8y s ARG 15 N 7.35 2.91 -0.11 0.00 0.52 -0.44 -1.38 118.95 127.80 2k8y s ARG 15 Ca 0.74 0.97 -0.29 0.00 -0.52 0.00 0.00 55.73 56.63 2k8y s ARG 15 Cb -0.10 -4.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.03 2k8y s ARG 15 CO 0.10 -2.38 1.38 0.42 0.02 0.00 0.00 175.30 174.84 2k8y s ILE 16 N 8.24 4.04 0.18 1.52 -1.09 -1.26 -4.32 121.20 128.50 2k8y s ILE 16 Ca 0.73 1.28 0.05 0.00 -2.23 0.00 0.00 60.65 60.48 2k8y s ILE 16 Cb -0.17 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 2k8y s ILE 16 CO 0.26 -0.10 0.19 0.54 -1.23 0.00 0.00 174.94 174.61 2k8y s ASN 17 N 2.31 5.75 0.18 3.58 4.22 -1.26 -4.75 114.94 124.98 2k8y s ASN 17 Ca 0.61 -0.07 0.26 0.00 -2.14 0.00 0.00 52.86 51.51 2k8y s ASN 17 Cb -0.26 -1.57 0.73 0.00 1.28 0.00 0.00 41.25 41.43 2k8y s ASN 17 CO 0.20 0.04 1.69 0.59 -2.04 0.00 0.00 177.10 177.58 2k8y n ASN 18 N -0.60 0.76 0.17 3.54 3.02 -1.26 -3.76 115.26 117.14 2k8y n ASN 18 Ca -0.08 0.47 0.13 0.00 -0.03 0.00 0.00 54.58 55.08 2k8y n ASN 18 Cb 0.55 -0.58 0.40 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 0.00 0.00 3.52 3.07 -2.00 -3.09 114.58 116.07 2k8y h GLU 19 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k8y h GLU 19 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2k8y h GLU 19 CO 0.00 0.00 0.30 -0.84 -1.40 0.00 0.00 179.01 177.07 2k8y h ILE 20 N 0.00 0.00 0.00 3.13 3.07 -1.98 -1.51 117.51 120.22 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 0.71 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2k8y h ILE 20 CO 0.00 0.00 -0.30 0.15 -1.05 0.00 0.00 178.15 176.95 2k8y h PHE 21 N 0.00 0.00 -0.97 0.16 3.57 -1.85 -3.39 116.94 114.46 2k8y h PHE 21 Ca 0.00 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 61.02 2k8y h PHE 21 Cb 0.60 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 39.16 2k8y h PHE 21 CO 0.00 0.00 0.46 -1.71 -2.23 0.00 0.00 178.31 174.83 2k8y n ASN 22 N -2.66 6.59 0.00 0.41 2.85 -0.57 -3.08 115.26 118.80 2k8y n ASN 22 Ca 0.03 -3.23 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 2k8y n ASN 22 Cb 0.50 -1.17 0.00 0.00 1.24 0.00 0.00 39.78 40.35 2k8y n ASN 22 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8y n LEU 23 N 0.58 0.00 -2.90 1.20 -0.00 -1.26 -5.05 117.00 109.57 2k8y n LEU 23 Ca 0.45 -0.01 -0.20 0.00 -0.00 0.00 0.00 56.01 56.25 2k8y n LEU 23 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 2k8y n LEU 23 CO 0.37 0.00 -0.09 0.61 -0.00 0.00 0.00 177.39 178.29 2k8y n GLY 24 N 0.05 -0.50 3.94 1.47 0.00 -1.18 -4.99 105.19 103.97 2k8y n GLY 24 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -6.28 3.68 -0.96 0.99 1.43 -1.26 -5.06 118.68 111.22 2k8y s LEU 25 Ca 0.22 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 2k8y s LEU 25 Cb -0.11 -2.45 0.06 0.00 0.03 0.00 0.00 46.19 43.72 2k8y s LEU 25 CO 0.27 -0.54 1.36 -0.54 0.23 0.00 0.00 176.35 177.13 2k8y s LYS 26 N -4.16 3.53 0.05 1.70 1.02 -1.26 -4.96 119.74 115.66 2k8y s LYS 26 Ca 0.47 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 2k8y s LYS 26 Cb -0.07 -5.11 -0.03 0.00 -0.52 0.00 0.00 37.83 32.10 2k8y s LYS 26 CO 0.30 -2.12 0.02 -0.59 -0.92 0.00 0.00 175.35 172.04 2k8y s PHE 27 N 4.65 0.40 -0.01 3.18 -0.71 -1.26 -3.43 117.98 120.80 2k8y s PHE 27 Ca 0.42 -0.87 -0.14 0.00 -1.04 0.00 0.00 56.93 55.29 2k8y s PHE 27 Cb -0.02 -0.29 0.02 0.00 -1.21 0.00 0.00 43.02 41.52 2k8y s PHE 27 CO -0.06 -0.38 0.30 -1.14 -1.34 0.00 0.00 175.22 172.59 2k8y s GLN 28 N -3.50 0.65 -0.04 1.99 -0.44 -0.92 -4.97 119.66 112.43 2k8y s GLN 28 Ca 0.03 -0.19 0.02 0.00 -2.50 0.00 0.00 55.36 52.71 2k8y s GLN 28 Cb 0.05 0.29 0.01 0.00 -1.64 0.00 0.00 33.01 31.72 2k8y s GLN 28 CO -0.09 -0.18 -0.08 0.42 0.50 0.00 0.00 175.29 175.87 2k8y s ILE 29 N -1.31 0.77 0.28 -2.34 1.01 -1.26 -0.67 121.20 117.69 2k8y s ILE 29 Ca -0.13 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2k8y s ILE 29 Cb -0.05 -0.73 -0.01 0.00 0.01 0.00 0.00 42.46 41.68 2k8y s ILE 29 CO 0.04 0.27 0.07 0.00 0.00 0.00 0.00 174.94 175.31 2k8y n LEU 30 N 3.73 0.00 -4.77 2.97 -0.00 -0.99 -3.92 117.00 114.02 2k8y n LEU 30 Ca -0.23 -2.02 -0.39 0.00 -0.00 0.00 0.00 56.01 53.38 2k8y n LEU 30 Cb 0.52 0.53 -0.06 0.00 -0.00 0.00 0.00 43.42 44.41 2k8y n LEU 30 CO 0.24 -0.30 0.62 0.21 -0.00 0.00 0.00 177.39 178.16 2k8y s ASN 31 N -2.66 7.49 0.00 1.45 3.84 -0.22 -1.37 114.94 123.46 2k8y s ASN 31 Ca 0.09 1.85 0.20 0.00 0.21 0.00 0.00 52.86 55.22 2k8y s ASN 31 Cb 0.00 -2.58 0.53 0.00 -0.55 0.00 0.00 41.25 38.66 2k8y s ASN 31 CO 0.07 0.08 1.45 0.00 -2.79 0.00 0.00 177.10 175.90 2k8y n ALA 32 N 1.13 2.42 0.13 1.71 0.00 -0.90 -3.93 120.51 121.07 2k8y n ALA 32 Ca -0.01 -0.96 0.12 0.00 0.00 0.00 0.00 53.44 52.59 2k8y n ALA 32 Cb 0.48 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 3.61 0.00 -0.23 0.00 5.19 -1.94 -3.36 116.42 119.69 2k8y h ASP 33 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k8y h ASP 33 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2k8y h ASP 33 CO 0.00 0.00 0.00 1.33 -3.12 0.00 0.00 179.24 177.45 2k8y n VAL 34 N -2.72 0.73 -2.88 -1.35 0.24 -1.25 -4.68 118.33 106.41 2k8y n VAL 34 Ca 0.01 -0.87 -0.43 0.00 -2.04 0.00 0.00 64.34 61.01 2k8y n VAL 34 Cb 0.55 0.69 -0.04 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.95 4.41 -1.35 3.34 0.11 -1.26 -4.95 120.40 119.76 2k8y s VAL 35 Ca 0.18 -0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 2k8y s VAL 35 Cb 0.10 -4.59 0.04 0.00 -1.53 0.00 0.00 36.38 30.40 2k8y s VAL 35 CO 0.13 -1.27 1.99 0.00 -3.33 0.00 0.00 175.10 172.62 2k8y n ALA 36 N 7.45 4.41 -1.29 1.54 0.00 -1.26 -4.69 120.51 126.68 2k8y n ALA 36 Ca -0.02 -3.81 0.16 0.00 0.00 0.00 0.00 53.44 49.77 2k8y n ALA 36 Cb 0.46 -3.57 -0.08 0.00 0.00 0.00 0.00 19.45 16.26 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 5.82 -0.67 0.23 0.00 -2.24 -1.26 -3.08 114.28 113.09 2k8y n THR 37 Ca 0.50 0.77 0.17 0.00 -2.27 0.00 0.00 64.05 63.22 2k8y n THR 37 Cb 0.42 -1.20 0.78 0.00 -2.10 0.00 0.00 70.33 68.24 2k8y n THR 37 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2k8y h LYS 38 N -1.26 0.00 0.00 -0.78 2.10 -1.51 -1.45 116.57 113.67 2k8y h LYS 38 Ca -0.16 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.45 2k8y h LYS 38 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2k8y h LYS 38 CO 0.06 0.00 -0.19 -0.22 -2.00 0.00 0.00 179.45 177.11 2k8y h LYS 39 N 0.00 0.00 -0.37 0.07 3.64 -1.84 -1.28 116.57 116.78 2k8y h LYS 39 Ca 0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2k8y h LYS 39 Cb 0.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2k8y h LYS 39 CO -0.00 0.19 0.17 1.25 -2.27 0.00 0.00 179.45 178.78 2k8y h HIS 40 N 0.00 0.55 0.33 1.91 2.76 -1.18 -2.44 115.15 117.07 2k8y h HIS 40 Ca -0.00 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 2k8y h HIS 40 Cb 0.37 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.16 2k8y h HIS 40 CO 0.00 0.48 -0.16 0.28 -1.30 0.00 0.00 177.93 177.23 2k8y h VAL 41 N 0.46 0.63 -0.27 5.26 2.07 -1.51 -2.98 116.25 119.92 2k8y h VAL 41 Ca 0.13 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2k8y h VAL 41 Cb 0.15 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2k8y h VAL 41 CO -0.01 0.11 0.18 0.17 0.02 0.00 0.00 177.57 178.04 2k8y h LEU 42 N -0.82 0.31 -0.60 2.57 8.10 -1.31 0.67 115.31 124.23 2k8y h LEU 42 Ca -0.04 -0.01 -0.08 0.00 0.11 0.00 0.00 57.88 57.85 2k8y h LEU 42 Cb 0.52 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 2k8y h LEU 42 CO 0.07 0.23 0.05 -0.74 -4.11 0.00 0.00 178.44 173.94 2k8y h HIS 43 N 0.37 1.10 -0.48 0.17 2.76 -1.52 -0.32 115.15 117.23 2k8y h HIS 43 Ca 0.10 -0.17 -0.09 0.00 -2.20 0.00 0.00 60.37 58.01 2k8y h HIS 43 Cb -0.04 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.61 2k8y h HIS 43 CO 0.00 0.96 -0.03 0.00 -1.30 0.00 0.00 177.93 177.56 2k8y h ALA 44 N 1.00 0.65 -0.24 5.26 0.00 -0.76 -1.60 119.26 123.57 2k8y h ALA 44 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2k8y h ALA 44 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k8y h ALA 44 CO 0.02 0.48 0.05 0.82 0.00 0.00 0.00 179.25 180.62 2k8y h ILE 45 N 0.72 1.22 -0.62 0.00 2.04 -1.21 -1.52 117.51 118.14 2k8y h ILE 45 Ca 0.13 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.40 2k8y h ILE 45 Cb 0.56 1.24 -0.11 0.00 -0.74 0.00 0.00 36.82 37.77 2k8y h ILE 45 CO 0.03 0.23 -0.02 -1.13 0.00 0.00 0.00 178.15 177.26 2k8y h ASN 46 N 0.20 -0.32 -0.21 1.72 -0.73 -0.93 0.96 115.58 116.28 2k8y h ASN 46 Ca 0.07 0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 2k8y h ASN 46 Cb 0.30 0.29 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 2k8y h ASN 46 CO 0.00 -0.13 0.08 1.56 -0.37 0.00 0.00 177.43 178.57 2k8y h GLN 47 N 0.10 0.33 0.00 6.67 1.08 -1.24 -3.17 115.11 118.88 2k8y h GLN 47 Ca 0.32 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.41 2k8y h GLN 47 Cb 0.52 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2k8y h GLN 47 CO -0.55 0.40 -0.21 0.00 -0.95 0.00 0.00 178.83 177.53 2k8y h ALA 48 N 0.91 1.53 -0.39 3.87 0.00 -0.21 -2.48 119.26 122.49 2k8y h ALA 48 Ca 0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2k8y h ALA 48 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k8y h ALA 48 CO -0.00 0.26 0.01 0.87 0.00 0.00 0.00 179.25 180.38 2k8y h LYS 49 N 0.00 0.69 0.00 0.00 1.57 -0.82 -2.92 116.57 115.09 2k8y h LYS 49 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2k8y h LYS 49 Cb 0.40 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2k8y h LYS 49 CO 0.03 0.78 -0.01 0.00 -0.57 0.00 0.00 179.45 179.67 2k8y h THR 50 N 0.52 0.00 -2.87 -0.16 1.03 -1.55 -3.46 112.91 106.42 2k8y h THR 50 Ca 0.11 -0.68 -0.63 0.00 -0.01 0.00 0.00 66.41 65.20 2k8y h THR 50 Cb 0.46 1.67 -0.05 0.00 -1.07 0.00 0.00 68.15 69.17 2k8y h THR 50 CO 0.02 0.00 -0.46 -0.54 -0.01 0.00 0.00 175.52 174.53 2k8y s LYS 51 N -3.15 3.48 -0.41 0.00 1.02 -0.96 -5.06 119.74 114.66 2k8y s LYS 51 Ca 0.09 -0.29 0.07 0.00 0.02 0.00 0.00 55.97 55.86 2k8y s LYS 51 Cb 0.09 -3.07 0.23 0.00 -0.52 0.00 0.00 37.83 34.57 2k8y s LYS 51 CO 0.63 0.64 0.52 0.36 -0.92 0.00 0.00 175.35 176.58 2k8y n LYS 52 N 0.78 0.58 -1.59 1.68 2.85 -1.26 -4.86 118.16 116.33 2k8y n LYS 52 Ca -0.09 -3.00 -0.20 0.00 -1.05 0.00 0.00 58.31 53.97 2k8y n LYS 52 Cb 0.52 -1.36 0.13 0.00 -0.65 0.00 0.00 35.03 33.67 2k8y n LYS 52 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2k8y n PRO 53 N 1.85 -0.59 0.10 -1.58 -0.04 -1.26 -4.93 135.00 128.55 2k8y n PRO 53 Ca 0.22 -1.65 0.10 0.00 -0.04 0.00 0.00 63.50 62.13 2k8y n PRO 53 Cb 0.53 -0.81 0.15 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.03 0.00 -1.67 0.52 5.41 -1.26 -4.69 119.36 114.64 2k8y n ILE 54 Ca 0.12 0.94 -0.49 0.00 1.00 0.00 0.00 62.75 64.32 2k8y n ILE 54 Cb 0.42 -1.79 -0.05 0.00 -0.71 0.00 0.00 39.64 37.51 2k8y n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k8y n ALA 55 N -1.65 0.63 0.29 -1.39 0.00 -1.26 -4.84 120.51 112.29 2k8y n ALA 55 Ca 0.08 0.39 0.19 0.00 0.00 0.00 0.00 53.44 54.10 2k8y n ALA 55 Cb 1.04 -2.34 0.96 0.00 0.00 0.00 0.00 19.45 19.10 2k8y n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k8y h LYS 56 N 6.98 0.00 -3.20 0.00 1.57 -1.89 -3.44 116.57 116.60 2k8y h LYS 56 Ca -0.47 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2k8y h LYS 56 Cb 1.28 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.51 2k8y h LYS 56 CO 0.90 0.00 0.11 0.45 -0.57 0.00 0.00 179.45 180.34 2k8y s SER 57 N -5.23 -0.27 0.10 0.86 0.15 -1.26 -5.00 113.70 103.06 2k8y s SER 57 Ca -0.04 -0.56 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 2k8y s SER 57 Cb 0.13 0.65 -0.11 0.00 -1.71 0.00 0.00 66.02 64.97 2k8y s SER 57 CO 0.43 -1.18 1.73 0.15 1.20 0.00 0.00 173.24 175.56 2k8y h PHE 58 N 2.10 -0.05 -0.07 3.44 3.57 -1.92 0.60 116.94 124.61 2k8y h PHE 58 Ca -0.25 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.21 2k8y h PHE 58 Cb 1.26 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2k8y h PHE 58 CO 0.38 -0.04 -0.19 -1.49 -2.23 0.00 0.00 178.31 174.74 2k8y h TRP 59 N -0.02 0.12 0.00 0.41 4.06 -1.96 -1.60 115.95 116.95 2k8y h TRP 59 Ca 0.03 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2k8y h TRP 59 Cb 0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2k8y h TRP 59 CO -0.12 0.30 -0.10 0.52 -3.56 0.00 0.00 178.44 175.48 2k8y h MET 60 N 0.11 0.00 -0.06 0.49 2.86 -1.90 -3.02 114.93 113.40 2k8y h MET 60 Ca 0.02 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.46 2k8y h MET 60 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2k8y h MET 60 CO 0.03 0.10 -0.78 1.49 1.06 0.00 0.00 176.91 178.80 2k8y h GLU 61 N 0.00 0.43 -0.50 1.72 4.22 0.07 -3.15 114.58 117.37 2k8y h GLU 61 Ca -0.00 -0.38 -0.07 0.00 0.08 0.00 0.00 59.36 58.99 2k8y h GLU 61 Cb 1.01 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2k8y h GLU 61 CO 0.01 1.02 0.05 0.82 -2.18 0.00 0.00 179.01 178.74 2k8y h ILE 62 N 0.28 1.26 -0.11 2.32 2.04 -1.30 -0.81 117.51 121.19 2k8y h ILE 62 Ca -0.04 -0.99 -0.15 0.00 1.00 0.00 0.00 64.86 64.68 2k8y h ILE 62 Cb 1.38 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2k8y h ILE 62 CO 0.14 0.35 -0.58 0.17 0.00 0.00 0.00 178.15 178.23 2k8y h LEU 63 N 0.72 0.40 -0.28 1.44 8.10 -1.62 -1.33 115.31 122.74 2k8y h LEU 63 Ca 0.15 -0.22 -0.20 0.00 0.11 0.00 0.00 57.88 57.72 2k8y h LEU 63 Cb 0.44 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.55 2k8y h LEU 63 CO 0.02 0.89 -0.72 -0.37 -4.11 0.00 0.00 178.44 174.15 2k8y h VAL 64 N 0.27 1.31 0.02 0.15 -1.51 -1.53 -3.12 116.25 111.83 2k8y h VAL 64 Ca -0.00 -1.97 -0.00 0.00 -1.23 0.00 0.00 66.70 63.49 2k8y h VAL 64 Cb 1.09 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.20 2k8y h VAL 64 CO 0.10 0.62 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.96 2k8y h ARG 65 N 0.47 -0.02 0.00 5.19 9.65 -0.90 0.13 114.38 128.90 2k8y h ARG 65 Ca -0.03 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.82 2k8y h ARG 65 Cb 1.32 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.90 2k8y h ARG 65 CO 0.14 0.30 -0.13 0.00 2.80 0.00 0.00 179.97 183.09 2k8y h ALA 66 N 0.63 1.42 -0.01 2.80 0.00 -1.38 -2.07 119.26 120.65 2k8y h ALA 66 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k8y h ALA 66 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k8y h ALA 66 CO 0.00 0.16 -0.01 0.45 0.00 0.00 0.00 179.25 179.85 2k8y n SER 67 N -3.85 1.28 -0.88 0.00 2.88 -1.01 -4.94 113.62 107.11 2k8y n SER 67 Ca -0.02 -1.41 -0.11 0.00 -1.33 0.00 0.00 58.87 56.00 2k8y n SER 67 Cb 0.22 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.64 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 1.16 1.21 3.81 0.46 0.00 -0.78 -4.98 105.19 106.08 2k8y n GLY 68 Ca 0.19 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2k8y n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k8y s GLN 69 N -2.84 2.62 0.00 1.61 2.00 0.42 -4.95 119.66 118.51 2k8y s GLN 69 Ca 0.00 -1.37 0.06 0.00 -2.00 0.00 0.00 55.36 52.05 2k8y s GLN 69 Cb 0.00 -2.38 -0.02 0.00 0.80 0.00 0.00 33.01 31.41 2k8y s GLN 69 CO 0.00 0.11 0.43 2.89 -0.50 0.00 0.00 175.29 178.22 2k8y n ARG 70 N -1.30 3.09 -3.68 1.67 1.85 -1.26 -3.93 116.66 113.10 2k8y n ARG 70 Ca -0.02 -0.34 -0.37 0.00 -1.00 0.00 0.00 57.85 56.11 2k8y n ARG 70 Cb 0.60 -0.91 -0.12 0.00 -1.05 0.00 0.00 32.46 30.98 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 -1.18 3.67 0.14 2.89 -1.52 -1.26 -4.70 119.66 117.69 2k8y s GLN 71 Ca 0.04 -0.48 -0.23 0.00 -1.95 0.00 0.00 55.36 52.74 2k8y s GLN 71 Cb 0.05 -3.48 -0.00 0.00 -0.22 0.00 0.00 33.01 29.36 2k8y s GLN 71 CO 0.18 -0.24 1.64 0.82 -0.25 0.00 0.00 175.29 177.45 2k8y h ILE 72 N 5.52 0.45 0.02 1.08 1.08 -1.96 -2.59 117.51 121.11 2k8y h ILE 72 Ca -0.36 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2k8y h ILE 72 Cb 1.17 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2k8y h ILE 72 CO 0.58 0.00 -0.01 0.45 -0.69 0.00 0.00 178.15 178.48 2k8y h HIS 73 N -0.27 -0.02 -0.61 1.37 3.86 -1.97 -2.10 115.15 115.41 2k8y h HIS 73 Ca 0.11 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 2k8y h HIS 73 Cb 0.43 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.86 2k8y h HIS 73 CO -0.34 0.04 0.34 0.93 0.86 0.00 0.00 177.93 179.76 2k8y h GLU 74 N -0.08 0.62 -0.88 2.45 5.08 -1.99 -1.85 114.58 117.95 2k8y h GLU 74 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2k8y h GLU 74 Cb 0.07 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2k8y h GLU 74 CO 0.00 0.41 0.46 0.00 -1.00 0.00 0.00 179.01 178.88 2k8y h ALA 75 N 1.31 1.13 -0.11 3.43 0.00 -1.25 -1.17 119.26 122.61 2k8y h ALA 75 Ca 0.27 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2k8y h ALA 75 Cb 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2k8y h ALA 75 CO -0.16 0.67 -0.28 0.82 0.00 0.00 0.00 179.25 180.30 2k8y h ILE 76 N 1.25 1.25 0.02 0.00 2.04 -1.00 -0.45 117.51 120.61 2k8y h ILE 76 Ca 0.31 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 2k8y h ILE 76 Cb 0.07 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2k8y h ILE 76 CO -0.04 0.35 -0.01 0.11 0.00 0.00 0.00 178.15 178.56 2k8y h LYS 77 N 0.18 -0.02 0.13 2.37 1.79 -0.77 -2.53 116.57 117.73 2k8y h LYS 77 Ca 0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2k8y h LYS 77 Cb 0.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2k8y h LYS 77 CO 0.04 0.33 -0.06 0.82 -1.08 0.00 0.00 179.45 179.50 2k8y h ILE 78 N -0.38 0.00 -0.34 1.86 2.04 -1.12 -3.39 117.51 116.19 2k8y h ILE 78 Ca -0.00 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2k8y h ILE 78 Cb 0.36 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 2k8y h ILE 78 CO 0.00 0.00 0.01 2.30 0.00 0.00 0.00 178.15 180.46 2k8y n ILE 79 N -2.90 2.42 -1.25 -0.67 -5.35 -0.19 -5.00 119.36 106.42 2k8y n ILE 79 Ca -0.02 -1.84 -0.29 0.00 -0.27 0.00 0.00 62.75 60.33 2k8y n ILE 79 Cb 0.07 -0.27 0.19 0.00 -1.74 0.00 0.00 39.64 37.89 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 -1.74 1.58 0.16 3.28 0.00 -0.95 -1.05 107.32 108.59 2k8y s GLY 80 Ca 0.45 -0.58 -0.16 0.00 0.00 0.00 0.00 44.72 44.42 2k8y s GLY 80 CO 0.10 0.10 0.60 0.00 0.00 0.00 0.00 173.10 173.89 2k8y s ALA 81 N -3.08 3.54 0.23 3.20 0.00 -1.25 -3.31 121.76 121.08 2k8y s ALA 81 Ca 0.67 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 2k8y s ALA 81 Cb -0.15 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.37 2k8y s ALA 81 CO 0.56 0.41 0.52 -1.59 0.00 0.00 0.00 175.76 175.67 2k8y s LYS 82 N -1.85 1.50 0.06 0.00 -2.85 -1.26 -5.01 119.74 110.33 2k8y s LYS 82 Ca 0.38 -1.05 -0.35 0.00 -1.00 0.00 0.00 55.97 53.95 2k8y s LYS 82 Cb -0.16 0.51 -0.14 0.00 -2.06 0.00 0.00 37.83 35.98 2k8y s LYS 82 CO 0.20 -0.64 1.59 -0.25 0.10 0.00 0.00 175.35 176.35 2k8y n ASP 83 N -0.37 2.77 0.00 0.03 9.92 -1.26 -4.53 116.55 123.11 2k8y n ASP 83 Ca -0.06 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 2k8y n ASP 83 Cb 0.62 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 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 3.46 0.64 3.51 0.44 0.00 -0.48 -4.93 105.19 107.84 2k8y n GLY 84 Ca 0.19 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 6.34 0.22 1.61 0.02 -1.26 -1.61 114.94 116.25 2k8y s ASN 85 Ca 0.00 -0.38 0.01 0.00 -1.02 0.00 0.00 52.86 51.47 2k8y s ASN 85 Cb 0.00 -2.38 -0.05 0.00 0.02 0.00 0.00 41.25 38.84 2k8y s ASN 85 CO 0.00 -1.03 0.07 0.68 0.02 0.00 0.00 177.10 176.84 2k8y s VAL 86 N 3.40 0.49 -0.20 1.60 -7.23 -0.79 -2.12 120.40 115.54 2k8y s VAL 86 Ca 0.27 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2k8y s VAL 86 Cb -0.14 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.41 2k8y s VAL 86 CO 0.19 -0.18 -0.16 0.00 -0.31 0.00 0.00 175.10 174.64 2k8y s LEU 88 N 1.27 4.08 -0.10 0.00 2.96 -0.38 -2.35 118.68 124.16 2k8y s LEU 88 Ca 0.02 0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2k8y s LEU 88 Cb -0.15 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.40 2k8y s LEU 88 CO -0.10 0.03 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.28 2k8y s ILE 89 N 1.27 3.88 0.10 6.68 1.01 0.15 -1.41 121.20 132.88 2k8y s ILE 89 Ca 0.07 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 2k8y s ILE 89 Cb -0.14 -2.63 0.05 0.00 0.01 0.00 0.00 42.46 39.75 2k8y s ILE 89 CO 0.06 0.57 0.52 0.00 0.00 0.00 0.00 174.94 176.09 2k8y h GLU 91 N 2.43 0.00 -5.89 0.00 4.39 -1.85 -1.06 114.58 112.60 2k8y h GLU 91 Ca -0.33 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 58.79 2k8y h GLU 91 Cb 1.25 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.61 2k8y h GLU 91 CO 0.42 0.46 -0.85 -0.51 -1.16 0.00 0.00 179.01 177.37 2k8y s ASP 92 N -6.05 2.32 0.60 1.42 1.01 -1.26 -4.74 116.67 109.97 2k8y s ASP 92 Ca -0.03 -0.36 0.32 0.00 0.71 0.00 0.00 52.55 53.19 2k8y s ASP 92 Cb 0.08 -0.28 1.92 0.00 1.01 0.00 0.00 42.92 45.65 2k8y s ASP 92 CO 0.82 0.24 2.27 -0.33 0.21 0.00 0.00 175.17 178.38 2k8y h GLU 93 N 5.68 0.00 -0.28 8.23 5.08 -1.97 -2.06 114.58 129.25 2k8y h GLU 93 Ca -0.38 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.90 2k8y h GLU 93 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2k8y h GLU 93 CO 0.48 0.00 -0.13 1.05 -1.00 0.00 0.00 179.01 179.41 2k8y h GLU 94 N 0.00 0.59 -0.29 2.33 4.11 -1.99 -2.00 114.58 117.32 2k8y h GLU 94 Ca -0.00 -0.26 -0.11 0.00 0.07 0.00 0.00 59.36 59.06 2k8y h GLU 94 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2k8y h GLU 94 CO 0.00 0.83 -0.28 1.15 0.07 0.00 0.00 179.01 180.78 2k8y h THR 95 N 0.34 1.28 -0.27 -1.06 2.02 -1.79 -2.17 112.91 111.26 2k8y h THR 95 Ca 0.06 -1.37 0.02 0.00 0.77 0.00 0.00 66.41 65.90 2k8y h THR 95 Cb 0.65 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 2k8y h THR 95 CO 0.04 0.44 0.11 0.15 0.37 0.00 0.00 175.52 176.63 2k8y h PHE 96 N 0.52 0.20 -0.33 3.16 3.57 -1.34 -2.60 116.94 120.12 2k8y h PHE 96 Ca 0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2k8y h PHE 96 Cb 0.75 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2k8y h PHE 96 CO 0.03 0.10 0.14 -0.09 -2.23 0.00 0.00 178.31 176.26 2k8y h ARG 97 N 0.24 0.29 -0.42 1.11 2.43 -1.12 -0.89 114.38 116.02 2k8y h ARG 97 Ca 0.11 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 2k8y h ARG 97 Cb 0.06 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2k8y h ARG 97 CO -0.10 0.19 0.04 0.87 -1.51 0.00 0.00 179.97 179.46 2k8y h LYS 98 N 0.30 0.15 -0.14 0.20 1.79 -1.19 -1.41 116.57 116.26 2k8y h LYS 98 Ca 0.14 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.50 2k8y h LYS 98 Cb 0.08 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2k8y h LYS 98 CO -0.12 0.10 -0.31 0.82 -1.08 0.00 0.00 179.45 178.86 2k8y h ILE 99 N 0.16 1.36 -0.66 1.86 1.08 -1.29 -3.18 117.51 116.84 2k8y h ILE 99 Ca 0.21 -1.58 0.08 0.00 -0.39 0.00 0.00 64.86 63.18 2k8y h ILE 99 Cb 0.28 2.02 -0.07 0.00 -3.07 0.00 0.00 36.82 35.99 2k8y h ILE 99 CO -0.31 0.47 0.32 0.22 -0.69 0.00 0.00 178.15 178.16 2k8y h TYR 100 N 0.07 0.58 -0.75 1.37 3.20 -0.86 -1.45 116.97 119.13 2k8y h TYR 100 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2k8y h TYR 100 Cb 0.91 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 2k8y h TYR 100 CO 0.10 0.22 0.50 0.93 -1.64 0.00 0.00 178.16 178.27 2k8y h GLU 101 N 0.57 1.00 0.12 1.82 5.08 -1.30 -1.97 114.58 119.89 2k8y h GLU 101 Ca 0.32 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 2k8y h GLU 101 Cb 0.32 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k8y h GLU 101 CO -0.25 0.66 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.29 2k8y h LEU 102 N 1.02 -0.14 -0.11 1.33 -0.00 -1.43 -3.37 115.31 112.62 2k8y h LEU 102 Ca 0.28 -0.24 -0.17 0.00 -0.00 0.00 0.00 57.88 57.75 2k8y h LEU 102 Cb -0.11 0.04 0.01 0.00 -0.00 0.00 0.00 40.66 40.59 2k8y h LEU 102 CO -0.06 0.17 -0.60 0.16 -0.00 0.00 0.00 178.44 178.12 2k8y h ILE 103 N -0.46 1.34 -3.89 1.22 3.07 -1.11 -3.46 117.51 114.22 2k8y h ILE 103 Ca -0.02 -1.89 0.00 0.00 1.55 0.00 0.00 64.86 64.51 2k8y h ILE 103 Cb 0.37 2.16 -0.05 0.00 -0.27 0.00 0.00 36.82 39.03 2k8y h ILE 103 CO 0.03 0.58 -0.78 0.61 -1.05 0.00 0.00 178.15 177.54 2k8y n GLY 104 N 0.73 -4.33 1.79 0.16 0.00 -0.76 -1.33 105.19 101.45 2k8y n GLY 104 Ca -0.08 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.96 0.80 3.68 -0.02 0.00 -1.26 -3.33 105.19 106.02 2k8y n GLY 105 Ca -0.16 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 2k8y n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k8y s GLU 106 N -2.02 4.11 -0.03 1.61 2.12 -0.45 -4.90 118.70 119.15 2k8y s GLU 106 Ca 0.12 -0.20 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 2k8y s GLU 106 Cb -0.01 -3.51 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 2k8y s GLU 106 CO 0.02 0.11 1.54 0.42 -0.54 0.00 0.00 175.26 176.80 2k8y s ILE 107 N 0.91 3.59 -0.31 -3.70 -1.09 -1.26 -1.19 121.20 118.14 2k8y s ILE 107 Ca 0.09 0.87 -0.02 0.00 -2.23 0.00 0.00 60.65 59.36 2k8y s ILE 107 Cb -0.13 -3.56 0.10 0.00 -1.58 0.00 0.00 42.46 37.30 2k8y s ILE 107 CO 0.03 -0.04 0.13 -0.62 -1.23 0.00 0.00 174.94 173.21 2k8y s ASP 108 N 2.59 3.76 0.33 3.58 -1.08 -0.18 -4.96 116.67 120.72 2k8y s ASP 108 Ca 0.69 -1.61 0.10 0.00 -0.52 0.00 0.00 52.55 51.20 2k8y s ASP 108 Cb -0.33 -0.66 0.58 0.00 -1.46 0.00 0.00 42.92 41.06 2k8y s ASP 108 CO 0.28 -0.41 1.76 -2.24 0.52 0.00 0.00 175.17 175.08 2k8y h ASP 109 N 8.04 0.12 -0.77 -0.34 2.03 -1.94 -3.18 116.42 120.38 2k8y h ASP 109 Ca -0.14 -0.05 0.20 0.00 -0.73 0.00 0.00 57.03 56.32 2k8y h ASP 109 Cb 1.00 -0.03 -0.04 0.00 -0.83 0.00 0.00 39.33 39.43 2k8y h ASP 109 CO 0.45 0.50 0.54 -1.28 -1.03 0.00 0.00 179.24 178.42 2k8y h SER 110 N 0.10 0.12 0.48 4.15 0.87 -1.95 -1.10 113.55 116.23 2k8y h SER 110 Ca 0.01 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 2k8y h SER 110 Cb 0.74 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2k8y h SER 110 CO 0.06 0.05 -0.45 1.62 -0.53 0.00 0.00 176.83 177.58 2k8y h VAL 111 N 0.13 1.28 -0.56 2.23 3.04 -1.93 -2.65 116.25 117.79 2k8y h VAL 111 Ca 0.37 -1.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.51 2k8y h VAL 111 Cb 1.29 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.42 2k8y h VAL 111 CO -0.05 0.44 0.00 0.18 -1.01 0.00 0.00 177.57 177.13 2k8y n LEU 112 N -3.95 3.02 0.00 3.16 4.77 -0.44 -4.02 117.00 119.53 2k8y n LEU 112 Ca -0.02 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 2k8y n LEU 112 Cb 0.48 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2k8y n LEU 112 CO 0.40 0.75 0.34 -1.84 -1.33 0.00 0.00 177.39 175.71 2k8y n GLU 113 N 1.15 0.62 -0.34 3.23 0.28 -1.01 -1.31 120.64 123.26 2k8y n GLU 113 Ca 0.19 -0.88 0.00 0.00 -0.16 0.00 0.00 57.16 56.30 2k8y n GLU 113 Cb 0.48 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.37 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 -0.20 -1.92 -4.28 3.84 2.08 -1.16 -4.81 119.36 112.91 2k8y n ILE 114 Ca 0.00 0.51 -0.16 0.00 0.56 0.00 0.00 62.75 63.67 2k8y n ILE 114 Cb 0.11 -0.79 -0.10 0.00 -0.75 0.00 0.00 39.64 38.11 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 -2.18 0.95 0.31 4.38 4.22 -1.26 -4.99 114.94 116.37 2k8y s ASN 115 Ca 0.00 -1.45 0.09 0.00 -2.14 0.00 0.00 52.86 49.36 2k8y s ASN 115 Cb 0.00 0.31 0.52 0.00 1.28 0.00 0.00 41.25 43.36 2k8y s ASN 115 CO 0.00 -0.82 1.73 -0.33 -2.04 0.00 0.00 177.10 175.64 2k8y h GLU 116 N 2.41 0.13 0.32 3.55 5.08 -1.99 -2.73 114.58 121.35 2k8y h GLU 116 Ca -0.36 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 2k8y h GLU 116 Cb 1.25 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2k8y h GLU 116 CO 0.55 0.54 -0.15 0.22 -1.00 0.00 0.00 179.01 179.17 2k8y h ASP 117 N 0.11 -0.36 1.44 1.42 3.58 -2.01 -2.31 116.42 118.29 2k8y h ASP 117 Ca 0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2k8y h ASP 117 Cb 0.81 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 2k8y h ASP 117 CO 0.06 -0.25 -0.05 0.11 -2.88 0.00 0.00 179.24 176.23 2k8y h LYS 118 N -0.44 0.00 -0.12 0.28 1.57 -1.84 -3.16 116.57 112.85 2k8y h LYS 118 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2k8y h LYS 118 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2k8y h LYS 118 CO 0.07 0.05 -0.45 1.49 -0.57 0.00 0.00 179.45 180.04 2k8y h GLU 119 N 0.00 0.52 -0.10 3.15 4.81 -1.22 -0.57 114.58 121.18 2k8y h GLU 119 Ca -0.00 -0.40 -0.16 0.00 -0.13 0.00 0.00 59.36 58.68 2k8y h GLU 119 Cb 0.78 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 2k8y h GLU 119 CO 0.01 1.02 -0.62 0.07 -0.73 0.00 0.00 179.01 178.76 2k8y h ARG 120 N 0.13 0.34 -0.13 1.92 0.11 -1.49 -2.92 114.38 112.34 2k8y h ARG 120 Ca -0.02 -0.24 0.02 0.00 0.10 0.00 0.00 59.98 59.84 2k8y h ARG 120 Cb 1.08 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 2k8y h ARG 120 CO 0.09 0.85 0.00 1.25 0.10 0.00 0.00 179.97 182.27 2k8y h LEU 121 N 0.25 -0.04 -0.95 0.08 5.85 -1.54 -3.13 115.31 115.83 2k8y h LEU 121 Ca -0.01 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.80 2k8y h LEU 121 Cb 1.14 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 2k8y h LEU 121 CO 0.10 0.00 0.61 0.40 -0.34 0.00 0.00 178.44 179.21 2k8y h ILE 122 N 0.05 1.08 0.00 4.05 2.04 -0.92 -1.96 117.51 121.85 2k8y h ILE 122 Ca 0.06 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 2k8y h ILE 122 Cb 0.07 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 2k8y h ILE 122 CO -0.10 0.20 -0.24 0.08 0.00 0.00 0.00 178.15 178.09 2k8y h ARG 123 N 1.11 0.00 0.17 2.37 -0.00 -1.53 -1.38 114.38 115.12 2k8y h ARG 123 Ca 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.38 2k8y h ARG 123 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.13 2k8y h ARG 123 CO -0.17 0.24 -0.08 0.93 -0.00 0.00 0.00 179.97 180.89 2k8y h GLU 124 N 0.00 -0.22 -0.01 0.08 5.08 -1.31 -2.05 114.58 116.15 2k8y h GLU 124 Ca -0.00 0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.19 2k8y h GLU 124 Cb 0.92 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2k8y h GLU 124 CO 0.03 0.18 -0.81 -0.84 -1.00 0.00 0.00 179.01 176.57 2k8y h ILE 125 N -0.90 1.51 0.00 3.13 -2.65 -1.48 -3.27 117.51 113.84 2k8y h ILE 125 Ca -0.02 -2.57 -0.28 0.00 1.03 0.00 0.00 64.86 63.02 2k8y h ILE 125 Cb 0.50 2.40 -0.05 0.00 -2.05 0.00 0.00 36.82 37.63 2k8y h ILE 125 CO 0.04 0.74 -1.61 -0.26 0.03 0.00 0.00 178.15 177.09 2k8y h PHE 126 N 0.08 0.02 -4.92 0.16 0.04 -1.46 -3.50 116.94 107.35 2k8y h PHE 126 Ca -0.03 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2k8y h PHE 126 Cb 1.41 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.56 2k8y h PHE 126 CO 0.02 1.02 -0.23 1.63 -0.60 0.00 0.00 178.31 180.15 2k8y n LYS 127 N -3.10 -1.58 -3.75 1.51 4.76 -0.77 -5.03 118.16 110.20 2k8y n LYS 127 Ca -0.15 1.62 -0.38 0.00 -2.87 0.00 0.00 58.31 56.53 2k8y n LYS 127 Cb 1.04 -5.00 -0.12 0.00 -1.84 0.00 0.00 35.03 29.10 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 -2.63 3.77 0.10 -0.18 1.01 -1.21 -4.99 121.20 117.05 2k8y s ILE 128 Ca 0.11 -1.19 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 2k8y s ILE 128 Cb -0.03 -3.16 -0.22 0.00 0.01 0.00 0.00 42.46 39.05 2k8y s ILE 128 CO 0.63 -0.21 1.22 -0.09 0.00 0.00 0.00 174.94 176.49 2k8y h ARG 129 N 8.22 0.52 -5.57 2.79 9.65 -1.95 -3.43 114.38 124.61 2k8y h ARG 129 Ca -0.23 -0.61 -0.60 0.00 -1.10 0.00 0.00 59.98 57.45 2k8y h ARG 129 Cb 1.08 0.18 -0.10 0.00 -1.39 0.00 0.00 29.97 29.74 2k8y h ARG 129 CO 0.61 1.23 -0.02 0.20 2.80 0.00 0.00 179.97 184.79 2k8y s GLY 130 N -4.41 2.09 -0.21 2.80 0.00 -1.26 -5.05 107.32 101.28 2k8y s GLY 130 Ca -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 44.72 44.23 2k8y s GLY 130 CO 0.90 1.09 0.34 -0.12 0.00 0.00 0.00 173.10 175.30 2k8y s PHE 131 N 1.61 -0.65 0.00 1.90 2.19 -1.26 -5.03 117.98 116.74 2k8y s PHE 131 Ca 0.25 0.89 0.00 0.00 0.33 0.00 0.00 56.93 58.39 2k8y s PHE 131 Cb -0.15 -0.00 0.00 0.00 -1.31 0.00 0.00 43.02 41.55 2k8y s PHE 131 CO 0.10 -0.58 0.00 0.41 1.83 0.00 0.00 175.22 176.97 2k8y n GLY 132 N 5.36 -0.25 3.95 13.12 0.00 -1.26 -5.07 105.19 121.04 2k8y n GLY 132 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2k8y n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8y s ASN 133 N -0.70 6.32 0.14 1.61 6.03 -1.26 -5.04 114.94 122.04 2k8y s ASN 133 Ca 0.00 0.32 -0.00 0.00 -1.03 0.00 0.00 52.86 52.15 2k8y s ASN 133 Cb 0.00 -1.97 -0.06 0.00 -3.03 0.00 0.00 41.25 36.18 2k8y s ASN 133 CO 0.00 -0.18 1.33 1.62 -2.03 0.00 0.00 177.10 177.85 2k8y h VAL 134 N 1.04 1.47 0.73 3.54 3.04 -1.97 -3.35 116.25 120.75 2k8y h VAL 134 Ca -0.50 -2.61 -0.04 0.00 -1.01 0.00 0.00 66.70 62.54 2k8y h VAL 134 Cb 1.22 2.49 0.01 0.00 -2.01 0.00 0.00 31.29 33.00 2k8y h VAL 134 CO 0.62 0.77 -0.35 0.58 -1.01 0.00 0.00 177.57 178.18 2k8y h VAL 135 N 0.14 0.02 0.00 1.51 2.07 -1.97 -1.79 116.25 116.24 2k8y h VAL 135 Ca -0.06 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 2k8y h VAL 135 Cb 1.57 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2k8y h VAL 135 CO 0.15 0.00 -0.58 -0.33 0.02 0.00 0.00 177.57 176.84 2k8y h GLU 136 N -1.25 0.00 0.02 1.57 5.08 -1.90 -3.28 114.58 114.82 2k8y h GLU 136 Ca -0.10 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 2k8y h GLU 136 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2k8y h GLU 136 CO 0.16 0.58 -0.95 -0.09 -1.00 0.00 0.00 179.01 177.71 2k8y h ARG 137 N 0.00 0.16 -0.09 2.33 9.65 -1.67 -2.86 114.38 121.90 2k8y h ARG 137 Ca -0.01 -0.20 -0.16 0.00 -1.10 0.00 0.00 59.98 58.51 2k8y h ARG 137 Cb 1.10 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.74 2k8y h ARG 137 CO 0.07 0.99 -0.63 -0.24 2.80 0.00 0.00 179.97 182.97 2k8y h VAL 138 N 0.08 1.38 -0.95 0.20 3.04 -1.41 -2.57 116.25 116.01 2k8y h VAL 138 Ca -0.05 -2.00 0.12 0.00 -1.01 0.00 0.00 66.70 63.76 2k8y h VAL 138 Cb 1.62 1.99 -0.08 0.00 -2.01 0.00 0.00 31.29 32.82 2k8y h VAL 138 CO 0.14 0.60 0.61 -0.07 -1.01 0.00 0.00 177.57 177.84 2k8y h LEU 139 N 0.24 0.84 -0.68 3.16 4.07 -1.60 -0.32 115.31 121.03 2k8y h LEU 139 Ca -0.01 0.04 -0.11 0.00 0.08 0.00 0.00 57.88 57.88 2k8y h LEU 139 Cb 1.16 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2k8y h LEU 139 CO 0.10 0.45 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.38 2k8y h GLU 140 N 0.90 0.81 -0.06 1.13 4.39 -1.26 -2.44 114.58 118.05 2k8y h GLU 140 Ca 0.47 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2k8y h GLU 140 Cb 0.53 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 2k8y h GLU 140 CO -0.23 0.94 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.31 2k8y h LYS 141 N 0.71 0.13 0.00 2.33 1.63 -0.97 -2.86 116.57 117.54 2k8y h LYS 141 Ca 0.10 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2k8y h LYS 141 Cb 0.72 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2k8y h LYS 141 CO 0.06 0.52 0.00 0.44 -3.45 0.00 0.00 179.45 177.01 2k8y n ILE 142 N -4.78 0.20 0.15 2.00 -5.35 -0.20 -2.00 119.36 109.37 2k8y n ILE 142 Ca -0.07 0.01 0.10 0.00 -0.27 0.00 0.00 62.75 62.52 2k8y n ILE 142 Cb 0.26 -0.58 0.06 0.00 -1.74 0.00 0.00 39.64 37.63 2k8y n ILE 142 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k8y h ALA 143 N 2.88 0.71 0.00 -1.28 0.00 -1.42 -3.39 119.26 116.75 2k8y h ALA 143 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k8y h ALA 143 Cb 0.49 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k8y h ALA 143 CO 0.00 0.09 0.00 -0.11 0.00 0.00 0.00 179.25 179.23 2k8y n LEU 144 N -2.88 0.02 -0.08 0.00 0.00 -0.84 -0.35 117.00 112.87 2k8y n LEU 144 Ca 0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 56.01 55.78 2k8y n LEU 144 Cb 0.57 -0.01 -0.12 0.00 0.00 0.00 0.00 43.42 43.86 2k8y n LEU 144 CO 0.38 0.01 -0.78 -0.38 0.00 0.00 0.00 177.39 176.61 2k8y n ILE 145 N -0.48 1.61 0.00 1.96 -0.00 -1.26 -4.13 119.36 117.06 2k8y n ILE 145 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 2k8y n ILE 145 Cb 0.01 -1.89 0.00 0.00 -0.00 0.00 0.00 39.64 37.76 2k8y n ILE 145 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 2k8y n GLU 146 N -4.05 3.84 -1.99 0.38 0.00 -1.16 -4.58 120.64 113.08 2k8y n GLU 146 Ca -0.36 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.52 2k8y n GLU 146 Cb 0.84 -0.64 0.03 0.00 0.00 0.00 0.00 31.44 31.66 2k8y n GLU 146 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2k8y n LEU 147 N -1.05 5.54 -4.69 -1.84 7.99 0.53 -5.07 117.00 118.41 2k8y n LEU 147 Ca 0.00 -4.77 -0.66 0.00 -0.01 0.00 0.00 56.01 50.57 2k8y n LEU 147 Cb 0.00 -0.53 -0.09 0.00 -0.11 0.00 0.00 43.42 42.69 2k8y n LEU 147 CO 0.00 2.00 1.03 0.29 -1.51 0.00 0.00 177.39 179.20 2k8y n LYS 148 N -0.69 0.05 0.00 3.23 5.02 -1.24 -4.36 118.16 120.16 2k8y n LYS 148 Ca 0.47 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.90 2k8y n LYS 148 Cb 0.80 -1.52 0.28 0.00 -0.02 0.00 0.00 35.03 34.57 2k8y n LYS 148 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k8y n LYS 149 N 3.49 1.25 0.00 1.97 4.76 -1.26 -5.03 118.16 123.34 2k8y n LYS 149 Ca 0.28 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.86 2k8y n LYS 149 Cb -0.02 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2k8y n LYS 149 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12