#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9a n ALA 2 N 0.00 0.00 -3.98 3.04 0.00 -1.25 -4.61 120.51 113.71 1x9a n ALA 2 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1x9a n ALA 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1x9a n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x9a s LEU 3 N 0.00 4.63 -0.20 0.00 2.96 -1.26 -1.33 118.68 123.48 1x9a s LEU 3 Ca 0.00 -2.01 0.01 0.00 -0.22 0.00 0.00 54.13 51.92 1x9a s LEU 3 Cb 0.00 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 45.07 1x9a s LEU 3 CO 0.00 -0.37 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.82 1x9a s VAL 4 N 0.97 1.91 -0.11 1.68 1.01 0.14 -4.97 120.40 121.04 1x9a s VAL 4 Ca 0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1x9a s VAL 4 Cb -0.20 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1x9a s VAL 4 CO -0.07 0.32 -0.05 -0.76 0.00 0.00 0.00 175.10 174.54 1x9a s LEU 5 N 1.30 3.24 -0.22 3.92 1.43 -1.26 -1.52 118.68 125.57 1x9a s LEU 5 Ca 0.01 -0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1x9a s LEU 5 Cb -0.15 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1x9a s LEU 5 CO -0.10 0.28 -0.13 -0.69 0.23 0.00 0.00 176.35 175.94 1x9a s VAL 6 N -0.32 2.46 -0.42 -1.59 1.01 -0.42 -4.93 120.40 116.19 1x9a s VAL 6 Ca 0.05 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1x9a s VAL 6 Cb -0.12 -2.17 0.32 0.00 0.00 0.00 0.00 36.38 34.41 1x9a s VAL 6 CO 0.02 0.35 0.90 2.29 0.00 0.00 0.00 175.10 178.66 1x9a n LYS 7 N 4.63 0.96 -0.55 2.72 2.85 -1.26 -2.13 118.16 125.37 1x9a n LYS 7 Ca -0.18 -2.59 0.01 0.00 -1.05 0.00 0.00 58.31 54.50 1x9a n LYS 7 Cb 0.48 -1.35 0.01 0.00 -0.65 0.00 0.00 35.03 33.52 1x9a n LYS 7 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1x9a n TYR 8 N 0.51 0.00 -4.22 5.58 4.01 -1.26 -4.85 117.16 116.92 1x9a n TYR 8 Ca 0.15 -0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1x9a n TYR 8 Cb 0.67 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 1x9a n TYR 8 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x9a n GLY 9 N -0.02 2.28 1.07 2.72 0.00 -1.26 -2.93 105.19 107.05 1x9a n GLY 9 Ca 0.01 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.72 1x9a n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x9a n THR 10 N 0.00 0.55 0.15 2.61 -2.24 -1.26 -4.17 114.28 109.92 1x9a n THR 10 Ca 0.00 -0.78 0.03 0.00 -2.27 0.00 0.00 64.05 61.03 1x9a n THR 10 Cb 0.00 0.93 0.10 0.00 -2.10 0.00 0.00 70.33 69.25 1x9a n THR 10 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1x9a h ASP 11 N 4.06 0.00 -3.15 3.42 3.58 -1.94 -3.41 116.42 118.99 1x9a h ASP 11 Ca 0.00 0.00 -0.75 0.00 0.42 0.00 0.00 57.03 56.70 1x9a h ASP 11 Cb 0.93 0.00 -0.23 0.00 1.72 0.00 0.00 39.33 41.74 1x9a h ASP 11 CO 0.00 0.50 -0.22 -2.28 -2.88 0.00 0.00 179.24 174.36 1x9a s HIS 12 N -3.11 3.23 0.31 0.28 2.46 -1.20 -4.94 115.29 112.32 1x9a s HIS 12 Ca 0.03 -1.14 0.05 0.00 0.47 0.00 0.00 55.06 54.47 1x9a s HIS 12 Cb 0.09 -3.62 0.53 0.00 -0.13 0.00 0.00 32.58 29.45 1x9a s HIS 12 CO 0.73 -0.97 1.78 -1.35 -2.47 0.00 0.00 174.74 172.47 1x9a h PRO 13 N 8.87 0.39 -0.00 2.88 0.11 -1.92 -3.01 132.00 139.33 1x9a h PRO 13 Ca -0.29 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1x9a h PRO 13 Cb 1.10 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1x9a h PRO 13 CO 0.99 0.59 0.01 -0.24 -0.21 0.00 0.00 178.00 179.14 1x9a h VAL 14 N 0.36 0.23 -0.77 3.15 3.04 -1.98 -1.75 116.25 118.52 1x9a h VAL 14 Ca 0.06 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.74 1x9a h VAL 14 Cb 0.58 0.99 -0.04 0.00 -2.01 0.00 0.00 31.29 30.81 1x9a h VAL 14 CO 0.04 0.00 0.43 -0.33 -1.01 0.00 0.00 177.57 176.70 1x9a h GLU 15 N 0.00 1.06 0.03 4.17 4.39 -1.92 -2.16 114.58 120.14 1x9a h GLU 15 Ca 0.00 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1x9a h GLU 15 Cb 0.02 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1x9a h GLU 15 CO -0.00 0.77 -0.01 -0.22 -1.16 0.00 0.00 179.01 178.38 1x9a h LYS 16 N 1.07 -0.04 0.00 2.33 3.11 -1.53 -2.63 116.57 118.89 1x9a h LYS 16 Ca 0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.12 1x9a h LYS 16 Cb 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.24 1x9a h LYS 16 CO -0.05 0.28 0.00 1.47 -2.81 0.00 0.00 179.45 178.35 1x9a n LEU 17 N -4.95 0.37 -0.10 5.20 -0.00 -1.18 -1.74 117.00 114.60 1x9a n LEU 17 Ca -0.08 0.55 -0.14 0.00 -0.00 0.00 0.00 56.01 56.34 1x9a n LEU 17 Cb 0.18 -0.46 -0.03 0.00 -0.00 0.00 0.00 43.42 43.11 1x9a n LEU 17 CO 0.33 -0.20 0.49 0.11 -0.00 0.00 0.00 177.39 178.12 1x9a h LYS 18 N 0.00 0.91 -0.18 1.47 1.57 -1.15 -0.46 116.57 118.73 1x9a h LYS 18 Ca 0.00 -0.53 -0.08 0.00 -1.87 0.00 0.00 60.65 58.17 1x9a h LYS 18 Cb 0.50 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1x9a h LYS 18 CO 0.00 1.18 -0.24 0.82 -0.57 0.00 0.00 179.45 180.64 1x9a h ILE 19 N 0.71 1.24 0.00 1.86 2.04 -1.03 -2.33 117.51 120.00 1x9a h ILE 19 Ca 0.04 -1.14 -0.09 0.00 1.00 0.00 0.00 64.86 64.67 1x9a h ILE 19 Cb 1.08 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1x9a h ILE 19 CO 0.11 0.35 -0.42 0.03 0.00 0.00 0.00 178.15 178.22 1x9a h ARG 20 N 0.29 0.00 -0.31 2.37 3.08 -1.12 -2.75 114.38 115.94 1x9a h ARG 20 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1x9a h ARG 20 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1x9a h ARG 20 CO 0.04 0.42 0.00 0.43 -1.07 0.00 0.00 179.97 179.79 1x9a n SER 21 N -3.80 2.51 -4.72 7.04 7.64 -0.20 -4.92 113.62 117.16 1x9a n SER 21 Ca -0.01 -1.87 -0.41 0.00 1.01 0.00 0.00 58.87 57.58 1x9a n SER 21 Cb 0.48 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 1x9a n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x9a s ALA 22 N -1.60 3.22 0.74 -0.43 0.00 -0.93 -4.91 121.76 117.86 1x9a s ALA 22 Ca 0.35 0.55 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1x9a s ALA 22 Cb 0.19 -3.29 0.14 0.00 0.00 0.00 0.00 23.12 20.17 1x9a s ALA 22 CO 0.27 -0.09 0.93 1.63 0.00 0.00 0.00 175.76 178.50 1x9a n LYS 23 N 3.18 -0.20 0.00 0.00 4.76 -1.26 -4.41 118.16 120.23 1x9a n LYS 23 Ca 0.03 -2.30 0.06 0.00 -2.87 0.00 0.00 58.31 53.23 1x9a n LYS 23 Cb 0.50 -0.68 0.31 0.00 -1.84 0.00 0.00 35.03 33.32 1x9a n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x9a n ALA 24 N -3.05 1.71 0.35 7.82 0.00 -1.26 -1.78 120.51 124.30 1x9a n ALA 24 Ca -0.15 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.32 1x9a n ALA 24 Cb 0.52 -1.21 0.25 0.00 0.00 0.00 0.00 19.45 19.01 1x9a n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x9a n GLU 25 N -1.36 2.25 -4.31 0.00 1.02 -1.26 -4.73 120.64 112.25 1x9a n GLU 25 Ca 0.05 -1.93 -0.23 0.00 -0.02 0.00 0.00 57.16 55.03 1x9a n GLU 25 Cb 0.12 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 30.03 1x9a n GLU 25 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x9a s ASP 26 N -1.11 4.40 -0.04 1.62 -1.08 -0.73 -3.82 116.67 115.91 1x9a s ASP 26 Ca 0.37 -0.73 0.02 0.00 -0.52 0.00 0.00 52.55 51.68 1x9a s ASP 26 Cb 0.19 -0.74 0.01 0.00 -1.46 0.00 0.00 42.92 40.92 1x9a s ASP 26 CO 0.26 -0.03 -0.08 -0.54 0.52 0.00 0.00 175.17 175.30 1x9a s LYS 27 N -3.67 1.00 -0.16 4.34 1.02 -0.44 -1.50 119.74 120.33 1x9a s LYS 27 Ca 0.32 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1x9a s LYS 27 Cb -0.05 -0.93 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1x9a s LYS 27 CO 0.19 0.05 -0.15 0.42 -0.92 0.00 0.00 175.35 174.94 1x9a s ILE 28 N 0.45 2.63 -0.18 2.17 1.09 -0.06 -0.69 121.20 126.61 1x9a s ILE 28 Ca -0.07 -0.78 -0.01 0.00 -1.10 0.00 0.00 60.65 58.70 1x9a s ILE 28 Cb -0.11 -2.11 0.00 0.00 -1.06 0.00 0.00 42.46 39.18 1x9a s ILE 28 CO 0.01 0.51 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.54 1x9a s VAL 29 N 0.94 2.72 -0.28 2.92 1.01 -0.58 -0.38 120.40 126.76 1x9a s VAL 29 Ca -0.03 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.01 1x9a s VAL 29 Cb -0.15 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1x9a s VAL 29 CO -0.02 0.50 0.66 -0.76 0.00 0.00 0.00 175.10 175.48 1x9a s LEU 30 N 1.10 4.09 -0.01 3.92 2.01 -0.06 -1.30 118.68 128.43 1x9a s LEU 30 Ca 0.00 0.63 -0.05 0.00 0.01 0.00 0.00 54.13 54.72 1x9a s LEU 30 Cb -0.14 -2.89 0.00 0.00 0.01 0.00 0.00 46.19 43.17 1x9a s LEU 30 CO -0.04 -0.45 0.10 -0.51 1.01 0.00 0.00 176.35 176.46 1x9a s ILE 31 N 2.61 0.06 0.00 -0.59 1.10 -0.91 -2.40 121.20 121.08 1x9a s ILE 31 Ca 0.27 -0.51 0.00 0.00 -0.51 0.00 0.00 60.65 59.90 1x9a s ILE 31 Cb -0.15 -0.31 0.00 0.00 0.15 0.00 0.00 42.46 42.15 1x9a s ILE 31 CO 0.10 -0.28 0.00 0.00 -2.11 0.00 0.00 174.94 172.65 1x9a n GLN 32 N 1.99 0.00 0.00 3.50 6.02 -1.26 -1.84 117.38 125.79 1x9a n GLN 32 Ca -0.20 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.87 1x9a n GLN 32 Cb 0.57 0.00 0.34 0.00 1.02 0.00 0.00 30.24 32.17 1x9a n GLN 32 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x9a n ASN 33 N 3.38 0.00 0.21 1.08 4.13 -1.26 -2.48 115.26 120.32 1x9a n ASN 33 Ca 0.00 0.31 0.15 0.00 1.68 0.00 0.00 54.58 56.72 1x9a n ASN 33 Cb 0.00 -0.41 0.66 0.00 -1.54 0.00 0.00 39.78 38.49 1x9a n ASN 33 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1x9a h GLY 34 N 2.50 0.00 2.00 7.41 0.00 -1.55 -2.79 103.07 110.65 1x9a h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1x9a h GLY 34 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 176.54 176.15 1x9a h VAL 35 N 0.00 0.00 0.00 4.60 -1.51 -1.65 -2.27 116.25 115.42 1x9a h VAL 35 Ca 0.00 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.27 1x9a h VAL 35 Cb 0.33 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 1x9a h VAL 35 CO 0.00 0.00 -0.07 -0.26 -1.23 0.00 0.00 177.57 176.01 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.76 -0.68 116.94 119.74 1x9a h PHE 36 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1x9a h PHE 36 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1x9a h PHE 36 CO 0.00 0.07 0.00 -1.49 -0.60 0.00 0.00 178.31 176.29 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.66 -2.67 115.95 115.13 1x9a h TRP 37 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x9a h TRP 37 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1x9a h TRP 37 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1x9a h ALA 38 N 2.13 1.00 -0.26 1.49 0.00 -1.29 -1.84 119.26 120.50 1x9a h ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x9a h ALA 38 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1x9a h ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1x9a n LEU 39 N -2.33 3.39 0.00 0.00 4.77 -1.01 -3.44 117.00 118.39 1x9a n LEU 39 Ca 0.02 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 1x9a n LEU 39 Cb 0.26 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1x9a n LEU 39 CO 0.22 0.69 0.00 1.21 -1.33 0.00 0.00 177.39 178.18 1x9a n GLU 40 N -0.21 0.00 0.00 3.23 0.00 -0.69 -5.03 120.64 117.94 1x9a n GLU 40 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1x9a n GLU 40 Cb 0.69 -0.49 0.00 0.00 0.00 0.00 0.00 31.44 31.64 1x9a n GLU 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1x9a n GLU 41 N -0.49 0.00 -1.54 5.31 4.07 -1.26 -5.13 120.64 121.60 1x9a n GLU 41 Ca 0.00 0.00 -0.60 0.00 -0.06 0.00 0.00 57.16 56.50 1x9a n GLU 41 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 1x9a n GLU 41 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1x9a n LEU 42 N 0.00 1.01 -4.27 4.31 -0.00 -1.26 -4.97 117.00 111.81 1x9a n LEU 42 Ca 0.00 1.05 -0.30 0.00 -0.00 0.00 0.00 56.01 56.77 1x9a n LEU 42 Cb 0.00 -0.78 -0.16 0.00 -0.00 0.00 0.00 43.42 42.48 1x9a n LEU 42 CO 0.00 -0.80 -0.55 -1.83 -0.00 0.00 0.00 177.39 174.21 1x9a s GLU 43 N 2.51 2.00 0.05 1.47 4.04 -1.26 -5.08 118.70 122.44 1x9a s GLU 43 Ca 0.92 -0.86 0.01 0.00 0.04 0.00 0.00 54.97 55.09 1x9a s GLU 43 Cb -1.32 -1.91 -0.03 0.00 0.02 0.00 0.00 34.13 30.90 1x9a s GLU 43 CO 0.71 0.50 -0.06 -0.08 -1.84 0.00 0.00 175.26 174.50 1x9a s THR 44 N -0.52 0.45 -0.25 1.83 -1.32 -1.26 -5.01 115.64 109.56 1x9a s THR 44 Ca 0.08 -1.35 0.24 0.00 -1.21 0.00 0.00 61.69 59.45 1x9a s THR 44 Cb -0.10 -0.92 0.25 0.00 -1.51 0.00 0.00 72.50 70.22 1x9a s THR 44 CO -0.00 -0.61 1.74 1.55 -2.21 0.00 0.00 174.62 175.08 1x9a h PRO 45 N 3.97 0.00 -7.56 7.08 0.13 -1.86 -3.44 132.00 130.32 1x9a h PRO 45 Ca -0.35 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.32 1x9a h PRO 45 Cb 1.19 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.43 1x9a h PRO 45 CO 0.50 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.64 1x9a s ALA 46 N -3.50 2.34 -0.56 -0.56 0.00 -1.16 -4.04 121.76 114.28 1x9a s ALA 46 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 51.96 51.17 1x9a s ALA 46 Cb 0.08 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.27 1x9a s ALA 46 CO 0.31 -1.87 0.80 0.15 0.00 0.00 0.00 175.76 175.15 1x9a s LYS 47 N -5.45 3.18 -0.22 0.00 -0.14 -0.56 -4.93 119.74 111.61 1x9a s LYS 47 Ca 0.62 -0.73 -0.12 0.00 -1.36 0.00 0.00 55.97 54.39 1x9a s LYS 47 Cb -0.12 -4.13 -0.05 0.00 -1.68 0.00 0.00 37.83 31.85 1x9a s LYS 47 CO 0.51 -1.46 0.21 0.54 -0.76 0.00 0.00 175.35 174.39 1x9a s VAL 48 N 3.35 5.33 0.04 3.17 0.11 -1.26 -0.88 120.40 130.26 1x9a s VAL 48 Ca 0.21 0.32 0.01 0.00 -2.93 0.00 0.00 61.98 59.59 1x9a s VAL 48 Cb -0.17 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1x9a s VAL 48 CO 0.13 0.35 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.88 1x9a s TYR 49 N 0.93 0.56 -0.04 1.54 1.51 0.49 -4.43 117.35 117.92 1x9a s TYR 49 Ca 0.11 -0.62 0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1x9a s TYR 49 Cb -0.13 -0.35 -0.01 0.00 -0.11 0.00 0.00 41.96 41.36 1x9a s TYR 49 CO 0.04 -0.15 -0.18 0.00 -1.11 0.00 0.00 175.55 174.15 1x9a s ALA 50 N -1.95 1.55 -0.21 3.71 0.00 -0.91 -0.88 121.76 123.08 1x9a s ALA 50 Ca -0.07 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 1x9a s ALA 50 Cb -0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 1x9a s ALA 50 CO -0.02 0.30 1.34 0.42 0.00 0.00 0.00 175.76 177.81 1x9a s ILE 51 N -0.07 4.12 0.17 0.00 1.01 -1.01 -1.79 121.20 123.62 1x9a s ILE 51 Ca -0.01 1.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.86 1x9a s ILE 51 Cb -0.11 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.41 1x9a s ILE 51 CO 0.02 -0.26 1.58 0.50 0.00 0.00 0.00 174.94 176.78 1x9a h LYS 52 N 8.94 1.03 -0.17 2.79 3.64 0.26 -0.71 116.57 132.35 1x9a h LYS 52 Ca -0.28 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 58.72 1x9a h LYS 52 Cb 1.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1x9a h LYS 52 CO 0.99 1.09 0.05 -0.44 -2.27 0.00 0.00 179.45 178.87 1x9a h ASP 53 N 0.90 0.05 -0.17 4.20 3.32 -1.91 0.42 116.42 123.22 1x9a h ASP 53 Ca 0.13 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 1x9a h ASP 53 Cb 0.73 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1x9a h ASP 53 CO 0.06 0.05 -0.24 -0.78 -1.72 0.00 0.00 179.24 176.61 1x9a h ASP 54 N 0.13 0.64 -0.59 6.45 3.58 -1.91 -1.63 116.42 123.09 1x9a h ASP 54 Ca 0.08 -0.23 -0.06 0.00 0.42 0.00 0.00 57.03 57.24 1x9a h ASP 54 Cb 0.05 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 1x9a h ASP 54 CO -0.09 0.87 0.13 0.15 -2.88 0.00 0.00 179.24 177.43 1x9a h PHE 55 N 0.55 1.00 0.00 0.28 3.57 -0.31 -2.55 116.94 119.48 1x9a h PHE 55 Ca 0.08 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1x9a h PHE 55 Cb 0.71 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1x9a h PHE 55 CO 0.03 0.86 0.00 -0.07 -2.23 0.00 0.00 178.31 176.90 1x9a h LEU 56 N 0.86 0.00 -2.23 0.59 -0.00 -0.03 -3.26 115.31 111.24 1x9a h LEU 56 Ca 0.18 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.12 1x9a h LEU 56 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1x9a h LEU 56 CO 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 178.44 178.66 1x9a h ALA 57 N 2.04 1.77 -0.41 1.53 0.00 -0.85 0.13 119.26 123.47 1x9a h ALA 57 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x9a h ALA 57 Cb 0.87 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1x9a h ALA 57 CO 0.00 -0.31 0.00 0.54 0.00 0.00 0.00 179.25 179.48 1x9a n ARG 58 N -3.72 2.34 -0.65 0.00 3.00 -1.23 -4.91 116.66 111.49 1x9a n ARG 58 Ca 0.02 -2.03 0.00 0.00 -0.01 0.00 0.00 57.85 55.82 1x9a n ARG 58 Cb 0.34 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.32 1x9a n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x9a n GLY 59 N 1.43 0.67 0.00 -0.13 0.00 0.44 -5.08 105.19 102.52 1x9a n GLY 59 Ca 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1x9a n GLY 59 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x9a n TYR 60 N -2.61 -2.18 -3.73 1.61 4.01 -1.25 -5.06 117.16 107.96 1x9a n TYR 60 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1x9a n TYR 60 Cb 0.03 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.98 1x9a n TYR 60 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1x9a s SER 61 N -1.13 -0.24 0.29 7.72 0.01 -1.26 -4.81 113.70 114.28 1x9a s SER 61 Ca 0.00 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.38 1x9a s SER 61 Cb 0.00 0.35 0.54 0.00 0.21 0.00 0.00 66.02 67.12 1x9a s SER 61 CO 0.00 -0.50 1.86 -0.33 0.41 0.00 0.00 173.24 174.68 1x9a h GLU 62 N 3.63 0.99 0.00 12.44 5.08 -1.98 -0.17 114.58 134.57 1x9a h GLU 62 Ca -0.30 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1x9a h GLU 62 Cb 1.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1x9a h GLU 62 CO 0.41 0.65 -0.22 1.49 -1.00 0.00 0.00 179.01 180.34 1x9a h GLU 63 N 1.02 0.00 0.00 2.33 4.81 -2.00 -3.06 114.58 117.68 1x9a h GLU 63 Ca 0.46 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 1x9a h GLU 63 Cb 0.39 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1x9a h GLU 63 CO -0.22 0.22 -0.20 0.22 -0.73 0.00 0.00 179.01 178.31 1x9a h ASP 64 N 0.00 0.00 -4.03 1.04 3.58 -1.43 -3.45 116.42 112.13 1x9a h ASP 64 Ca -0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1x9a h ASP 64 Cb 0.47 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.52 1x9a h ASP 64 CO 0.03 0.20 0.38 -0.55 -2.88 0.00 0.00 179.24 176.41 1x9a s SER 65 N -6.16 6.68 -0.04 2.28 0.15 -1.16 -4.97 113.70 110.48 1x9a s SER 65 Ca 0.03 1.89 0.03 0.00 0.70 0.00 0.00 55.95 58.59 1x9a s SER 65 Cb 0.08 -2.56 -0.25 0.00 -1.71 0.00 0.00 66.02 61.58 1x9a s SER 65 CO 0.65 -0.54 0.69 0.50 1.20 0.00 0.00 173.24 175.73 1x9a h LYS 66 N 2.01 0.14 -6.16 5.44 3.64 -1.87 -3.48 116.57 116.29 1x9a h LYS 66 Ca -0.49 -0.24 -0.48 0.00 -1.27 0.00 0.00 60.65 58.17 1x9a h LYS 66 Cb 1.21 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1x9a h LYS 66 CO 0.61 0.89 -0.44 0.14 -2.27 0.00 0.00 179.45 178.38 1x9a s VAL 67 N -2.60 5.27 0.37 2.00 -7.23 -1.26 -5.07 120.40 111.89 1x9a s VAL 67 Ca -0.10 -0.92 -0.28 0.00 -1.81 0.00 0.00 61.98 58.87 1x9a s VAL 67 Cb 0.07 -3.84 -0.11 0.00 0.56 0.00 0.00 36.38 33.07 1x9a s VAL 67 CO 0.82 -0.28 1.45 -2.16 -0.31 0.00 0.00 175.10 174.62 1x9a s PRO 68 N -3.82 4.12 -0.08 4.82 0.04 -1.26 -4.80 135.00 134.01 1x9a s PRO 68 Ca 0.34 2.49 -0.04 0.00 0.04 0.00 0.00 61.00 63.83 1x9a s PRO 68 Cb -0.09 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1x9a s PRO 68 CO 0.29 -0.49 0.11 -0.51 0.04 0.00 0.00 177.00 176.44 1x9a s LEU 69 N -2.10 4.16 0.10 -3.56 2.01 -1.26 -2.13 118.68 115.91 1x9a s LEU 69 Ca 0.53 0.34 0.05 0.00 0.01 0.00 0.00 54.13 55.05 1x9a s LEU 69 Cb -0.45 -2.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.56 1x9a s LEU 69 CO 0.61 0.36 -0.12 0.27 1.01 0.00 0.00 176.35 178.47 1x9a s ILE 70 N -1.08 1.11 0.47 -0.59 -0.00 -0.74 -4.89 121.20 115.48 1x9a s ILE 70 Ca 0.18 -1.62 0.08 0.00 -0.00 0.00 0.00 60.65 59.28 1x9a s ILE 70 Cb -0.12 -1.38 0.03 0.00 -0.00 0.00 0.00 42.46 40.99 1x9a s ILE 70 CO 0.08 -0.46 0.65 0.42 -0.00 0.00 0.00 174.94 175.62 1x9a s THR 71 N -2.17 2.76 0.57 8.37 -4.23 -1.26 0.97 115.64 120.64 1x9a s THR 71 Ca 0.06 -0.96 0.27 0.00 -1.18 0.00 0.00 61.69 59.88 1x9a s THR 71 Cb -0.05 -2.79 0.38 0.00 1.34 0.00 0.00 72.50 71.38 1x9a s THR 71 CO 0.01 0.00 2.00 0.10 -0.54 0.00 0.00 174.62 176.20 1x9a h TYR 72 N 0.46 0.00 -0.10 3.99 -0.00 -1.98 0.48 116.97 119.82 1x9a h TYR 72 Ca -0.38 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.30 1x9a h TYR 72 Cb 1.28 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.01 1x9a h TYR 72 CO 0.39 0.00 -0.14 0.77 -0.00 0.00 0.00 178.16 179.18 1x9a h SER 73 N 0.00 0.30 0.35 0.10 0.02 -1.99 -2.41 113.55 109.93 1x9a h SER 73 Ca 0.18 -0.52 -0.16 0.00 -0.84 0.00 0.00 61.79 60.45 1x9a h SER 73 Cb 0.87 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1x9a h SER 73 CO -0.00 0.76 -0.67 -0.33 -1.14 0.00 0.00 176.83 175.45 1x9a h GLU 74 N -0.15 0.29 -0.85 3.45 5.08 -1.20 -0.73 114.58 120.47 1x9a h GLU 74 Ca 0.01 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1x9a h GLU 74 Cb 0.69 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.95 1x9a h GLU 74 CO 0.03 0.86 0.40 0.35 -1.00 0.00 0.00 179.01 179.65 1x9a h PHE 75 N 0.20 1.23 -0.06 4.33 3.57 -0.23 0.16 116.94 126.15 1x9a h PHE 75 Ca -0.02 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.42 1x9a h PHE 75 Cb 1.21 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1x9a h PHE 75 CO 0.03 0.89 0.02 0.82 -2.23 0.00 0.00 178.31 177.84 1x9a h ILE 76 N 1.21 1.16 -0.50 1.41 2.04 -1.01 -1.69 117.51 120.13 1x9a h ILE 76 Ca 0.29 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.73 1x9a h ILE 76 Cb 0.13 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1x9a h ILE 76 CO -0.04 0.13 0.33 0.44 0.00 0.00 0.00 178.15 179.02 1x9a h ASP 77 N -0.09 0.41 0.57 1.72 5.19 -0.83 -1.64 116.42 121.74 1x9a h ASP 77 Ca 0.02 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1x9a h ASP 77 Cb 0.19 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 1x9a h ASP 77 CO -0.00 0.27 -0.32 0.25 -3.12 0.00 0.00 179.24 176.32 1x9a h LEU 78 N 0.47 -0.79 -1.77 1.55 5.85 -0.34 -2.60 115.31 117.68 1x9a h LEU 78 Ca 0.21 0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.15 1x9a h LEU 78 Cb 0.25 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1x9a h LEU 78 CO -0.05 -0.52 0.50 -0.07 -0.34 0.00 0.00 178.44 177.96 1x9a h LEU 79 N -0.83 0.20 -1.30 2.25 4.07 -0.37 0.29 115.31 119.63 1x9a h LEU 79 Ca -0.07 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1x9a h LEU 79 Cb 0.66 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.38 1x9a h LEU 79 CO 0.09 0.10 0.00 1.21 -1.08 0.00 0.00 178.44 178.76 1x9a n GLU 80 N -4.42 1.72 -1.48 1.13 0.00 -1.04 -4.84 120.64 111.72 1x9a n GLU 80 Ca 0.14 -0.65 0.00 0.00 0.00 0.00 0.00 57.16 56.65 1x9a n GLU 80 Cb 0.65 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.56 1x9a n GLU 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x9a n GLY 81 N 0.29 0.73 5.00 8.31 0.00 1.00 -2.70 105.19 117.83 1x9a n GLY 81 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1x9a n GLY 81 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x9a n GLU 82 N -1.13 0.00 0.08 1.61 2.13 -0.98 -3.84 120.64 118.50 1x9a n GLU 82 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1x9a n GLU 82 Cb 0.36 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.08 1x9a n GLU 82 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x9a h GLU 83 N 0.00 0.24 -1.85 5.31 4.81 -1.83 -3.45 114.58 117.80 1x9a h GLU 83 Ca 0.00 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1x9a h GLU 83 Cb 0.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1x9a h GLU 83 CO 0.00 0.94 -0.48 1.63 -0.73 0.00 0.00 179.01 180.37 1x9a n LYS 84 N -3.71 -2.05 0.00 1.92 5.02 -1.10 -4.96 118.16 113.28 1x9a n LYS 84 Ca -0.04 1.59 0.00 0.00 -2.02 0.00 0.00 58.31 57.84 1x9a n LYS 84 Cb 0.77 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1x9a n LYS 84 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x9a n PHE 85 N -2.00 0.00 -1.98 2.13 7.35 -1.26 -4.93 117.46 116.77 1x9a n PHE 85 Ca 0.00 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.44 1x9a n PHE 85 Cb 0.23 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.00 1x9a n PHE 85 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1x9a s ILE 86 N -1.74 3.39 0.00 -2.13 -1.09 -1.26 -5.26 121.20 113.11 1x9a s ILE 86 Ca 0.00 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1x9a s ILE 86 Cb 0.00 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1x9a s ILE 86 CO 0.00 -0.81 0.00 0.61 -1.23 0.00 0.00 174.94 173.51