#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 1.74 -3.83 -5.12 0.00 -1.26 -4.47 120.51 107.57 1x9a n ALA 2 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1x9a n ALA 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 -5.63 4.96 -0.25 0.00 2.96 -1.26 -2.18 118.68 117.28 1x9a s LEU 3 Ca 0.00 -1.98 -0.02 0.00 -0.22 0.00 0.00 54.13 51.91 1x9a s LEU 3 Cb 0.00 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1x9a s LEU 3 CO 0.00 -0.47 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.83 1x9a s VAL 4 N 1.09 3.03 -0.10 1.68 1.01 0.15 -5.00 120.40 122.26 1x9a s VAL 4 Ca 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1x9a s VAL 4 Cb -0.21 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1x9a s VAL 4 CO -0.05 0.18 -0.09 -0.76 0.00 0.00 0.00 175.10 174.39 1x9a s LEU 5 N 1.35 3.03 -0.19 3.92 1.43 -1.26 -0.90 118.68 126.05 1x9a s LEU 5 Ca 0.01 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1x9a s LEU 5 Cb -0.17 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1x9a s LEU 5 CO -0.03 0.28 -0.17 -0.69 0.23 0.00 0.00 176.35 175.96 1x9a s VAL 6 N -0.30 2.24 -0.47 -1.59 1.01 0.64 -4.92 120.40 117.01 1x9a s VAL 6 Ca 0.04 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1x9a s VAL 6 Cb -0.13 -1.99 0.36 0.00 0.00 0.00 0.00 36.38 34.62 1x9a s VAL 6 CO 0.02 0.46 0.88 2.29 0.00 0.00 0.00 175.10 178.75 1x9a n LYS 7 N 4.62 2.24 -3.63 2.72 2.85 -1.26 -1.26 118.16 124.45 1x9a n LYS 7 Ca -0.20 -4.16 -0.06 0.00 -1.05 0.00 0.00 58.31 52.85 1x9a n LYS 7 Cb 0.49 -1.97 -0.02 0.00 -0.65 0.00 0.00 35.03 32.89 1x9a n LYS 7 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1x9a s TYR 8 N -3.05 -0.24 0.00 5.58 2.02 -1.26 -4.64 117.35 115.76 1x9a s TYR 8 Ca 0.44 0.01 0.00 0.00 -0.37 0.00 0.00 57.07 57.15 1x9a s TYR 8 Cb 0.33 0.59 0.00 0.00 -0.40 0.00 0.00 41.96 42.48 1x9a s TYR 8 CO -0.11 -0.69 0.00 0.41 -1.57 0.00 0.00 175.55 173.59 1x9a n GLY 9 N -0.36 4.11 0.00 0.71 0.00 -1.24 -2.55 105.19 105.85 1x9a n GLY 9 Ca -0.08 -1.23 0.10 0.00 0.00 0.00 0.00 46.02 44.82 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 0.42 0.44 2.61 -2.24 -1.26 -1.42 114.28 112.83 1x9a n THR 10 Ca 0.00 0.10 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1x9a n THR 10 Cb 0.00 -0.77 0.39 0.00 -2.10 0.00 0.00 70.33 67.85 1x9a n THR 10 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1x9a h ASP 11 N 0.00 0.00 -4.18 3.42 2.03 -1.98 -3.38 116.42 112.33 1x9a h ASP 11 Ca 0.00 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.67 1x9a h ASP 11 Cb 0.20 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.30 1x9a h ASP 11 CO 0.00 0.00 -0.65 -1.00 -1.03 0.00 0.00 179.24 176.56 1x9a s HIS 12 N -3.23 2.93 0.39 4.15 3.76 -0.50 -4.94 115.29 117.84 1x9a s HIS 12 Ca 0.07 -3.01 0.32 0.00 -0.15 0.00 0.00 55.06 52.30 1x9a s HIS 12 Cb 0.09 -2.62 1.62 0.00 1.11 0.00 0.00 32.58 32.78 1x9a s HIS 12 CO 0.58 -0.75 2.11 -1.35 -0.85 0.00 0.00 174.74 174.47 1x9a h PRO 13 N 6.57 0.00 0.00 8.40 0.11 -1.78 -2.47 132.00 142.83 1x9a h PRO 13 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1x9a h PRO 13 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1x9a h PRO 13 CO 0.64 0.07 -0.12 -0.24 -0.21 0.00 0.00 178.00 178.15 1x9a h VAL 14 N 0.00 0.64 -0.37 3.15 3.04 -1.93 -2.08 116.25 118.71 1x9a h VAL 14 Ca -0.00 -0.49 -0.02 0.00 -1.01 0.00 0.00 66.70 65.18 1x9a h VAL 14 Cb 0.32 1.31 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 1x9a h VAL 14 CO 0.01 0.11 0.17 -0.33 -1.01 0.00 0.00 177.57 176.52 1x9a h GLU 15 N 0.00 0.52 0.15 4.17 4.39 -1.78 -2.56 114.58 119.47 1x9a h GLU 15 Ca -0.00 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1x9a h GLU 15 Cb 0.30 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1x9a h GLU 15 CO 0.02 0.42 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.99 1x9a h LYS 16 N 0.52 -0.20 0.00 2.33 1.63 -1.56 -1.80 116.57 117.50 1x9a h LYS 16 Ca 0.13 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1x9a h LYS 16 Cb 0.08 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1x9a h LYS 16 CO -0.02 0.03 0.00 1.37 -3.45 0.00 0.00 179.45 177.38 1x9a h LEU 17 N -0.40 0.00 -0.44 5.20 -0.00 -1.65 -1.51 115.31 116.51 1x9a h LEU 17 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.69 1x9a h LEU 17 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1x9a h LEU 17 CO 0.03 0.00 -0.48 0.11 -0.00 0.00 0.00 178.44 178.10 1x9a h LYS 18 N 0.00 0.77 -0.20 0.17 1.57 -1.21 -1.27 116.57 116.40 1x9a h LYS 18 Ca 0.00 -0.45 -0.08 0.00 -1.87 0.00 0.00 60.65 58.25 1x9a h LYS 18 Cb 0.64 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1x9a h LYS 18 CO 0.00 1.08 -0.22 0.82 -0.57 0.00 0.00 179.45 180.56 1x9a h ILE 19 N 0.61 1.24 0.00 1.86 2.04 -0.63 -2.30 117.51 120.32 1x9a h ILE 19 Ca 0.03 -1.12 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 1x9a h ILE 19 Cb 1.06 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1x9a h ILE 19 CO 0.10 0.35 -0.42 0.03 0.00 0.00 0.00 178.15 178.21 1x9a h ARG 20 N 0.32 0.00 -3.79 2.37 3.08 -1.10 -3.33 114.38 111.94 1x9a h ARG 20 Ca 0.05 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.37 1x9a h ARG 20 Cb 0.57 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.51 1x9a h ARG 20 CO 0.04 0.42 2.40 0.43 -1.07 0.00 0.00 179.97 182.19 1x9a n SER 21 N -3.83 4.66 -4.23 7.04 7.64 -0.50 -4.91 113.62 119.48 1x9a n SER 21 Ca -0.01 -3.01 -0.13 0.00 1.01 0.00 0.00 58.87 56.73 1x9a n SER 21 Cb 0.48 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 62.02 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 1.53 1.33 0.31 -0.43 0.00 -1.25 -0.95 121.76 122.29 1x9a s ALA 22 Ca 0.43 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.88 1x9a s ALA 22 Cb 0.11 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.53 1x9a s ALA 22 CO -0.03 -0.25 0.07 0.15 0.00 0.00 0.00 175.76 175.70 1x9a s LYS 23 N -3.86 1.61 0.56 0.00 1.02 -1.26 -4.79 119.74 113.01 1x9a s LYS 23 Ca 0.20 -1.89 0.32 0.00 0.02 0.00 0.00 55.97 54.62 1x9a s LYS 23 Cb 0.05 -0.69 1.65 0.00 -0.52 0.00 0.00 37.83 38.32 1x9a s LYS 23 CO 0.02 -0.23 2.13 0.00 -0.92 0.00 0.00 175.35 176.34 1x9a h ALA 24 N 2.16 1.20 0.00 5.17 0.00 -1.95 -0.97 119.26 124.87 1x9a h ALA 24 Ca -0.40 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1x9a h ALA 24 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1x9a h ALA 24 CO 0.66 0.09 -0.26 0.93 0.00 0.00 0.00 179.25 180.68 1x9a h GLU 25 N 0.00 0.00 -6.85 0.00 5.08 -1.91 -3.43 114.58 107.47 1x9a h GLU 25 Ca -0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1x9a h GLU 25 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1x9a h GLU 25 CO 0.01 0.00 0.19 0.34 -1.00 0.00 0.00 179.01 178.55 1x9a s ASP 26 N -5.02 6.84 -0.07 1.42 2.15 -0.37 -4.89 116.67 116.73 1x9a s ASP 26 Ca 0.07 1.44 0.05 0.00 0.43 0.00 0.00 52.55 54.54 1x9a s ASP 26 Cb 0.10 -2.44 -0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1x9a s ASP 26 CO 0.67 -0.26 -0.22 -0.54 -0.17 0.00 0.00 175.17 174.64 1x9a s LYS 27 N -3.04 2.55 -0.13 4.34 -0.14 -0.93 -2.23 119.74 120.17 1x9a s LYS 27 Ca 0.57 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 54.39 1x9a s LYS 27 Cb -0.10 -2.06 0.01 0.00 -1.68 0.00 0.00 37.83 34.00 1x9a s LYS 27 CO 0.16 0.26 -0.20 0.42 -0.76 0.00 0.00 175.35 175.22 1x9a s ILE 28 N 0.11 1.92 -0.12 2.17 1.01 -0.96 -0.68 121.20 124.66 1x9a s ILE 28 Ca -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1x9a s ILE 28 Cb -0.15 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1x9a s ILE 28 CO 0.05 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.64 1x9a s VAL 29 N 0.84 2.50 -0.24 2.92 1.01 -0.08 0.05 120.40 127.39 1x9a s VAL 29 Ca -0.07 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 60.92 1x9a s VAL 29 Cb -0.15 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1x9a s VAL 29 CO -0.01 0.54 0.26 -0.76 0.00 0.00 0.00 175.10 175.12 1x9a s LEU 30 N 0.37 4.09 -0.00 3.92 2.01 -0.17 -0.26 118.68 128.65 1x9a s LEU 30 Ca -0.15 0.21 -0.01 0.00 0.01 0.00 0.00 54.13 54.19 1x9a s LEU 30 Cb -0.17 -2.25 -0.00 0.00 0.01 0.00 0.00 46.19 43.77 1x9a s LEU 30 CO 0.07 -0.03 0.02 -0.51 1.01 0.00 0.00 176.35 176.91 1x9a s ILE 31 N 1.42 0.02 0.00 -0.59 1.10 -0.39 -1.14 121.20 121.62 1x9a s ILE 31 Ca 0.11 -0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.06 1x9a s ILE 31 Cb -0.15 -0.10 0.00 0.00 0.15 0.00 0.00 42.46 42.36 1x9a s ILE 31 CO 0.07 -0.11 0.00 0.00 -2.11 0.00 0.00 174.94 172.80 1x9a n GLN 32 N 2.73 0.00 0.07 3.50 6.02 -1.26 -1.95 117.38 126.48 1x9a n GLN 32 Ca -0.15 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 56.94 1x9a n GLN 32 Cb 0.59 0.00 0.41 0.00 1.02 0.00 0.00 30.24 32.26 1x9a n GLN 32 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1x9a n ASN 33 N 9.46 0.35 0.19 1.08 2.85 -1.26 -2.43 115.26 125.51 1x9a n ASN 33 Ca 0.00 0.58 0.14 0.00 -0.11 0.00 0.00 54.58 55.19 1x9a n ASN 33 Cb 0.00 -0.66 0.64 0.00 1.24 0.00 0.00 39.78 41.00 1x9a n ASN 33 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1x9a h GLY 34 N 2.50 0.00 2.00 8.20 0.00 -1.10 -2.76 103.07 111.91 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 -0.02 -0.39 0.00 0.00 0.00 176.54 176.13 1x9a h VAL 35 N 0.00 0.13 0.00 4.60 -1.51 -1.70 -0.31 116.25 117.46 1x9a h VAL 35 Ca 0.00 -0.16 -0.08 0.00 -1.23 0.00 0.00 66.70 65.23 1x9a h VAL 35 Cb 0.26 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 1x9a h VAL 35 CO 0.00 0.01 -0.39 -0.26 -1.23 0.00 0.00 177.57 175.71 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.75 -1.90 116.94 117.48 1x9a h PHE 36 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1x9a h PHE 36 Cb 0.14 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 1x9a h PHE 36 CO 0.00 0.39 -0.16 -1.49 -1.61 0.00 0.00 178.31 175.44 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.26 -2.88 115.95 115.32 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 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.94 1x9a h TRP 37 CO 0.00 0.16 0.00 0.00 -3.56 0.00 0.00 178.44 175.04 1x9a n ALA 38 N -2.16 1.82 -0.26 1.49 0.00 -0.72 -1.77 120.51 118.92 1x9a n ALA 38 Ca 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1x9a n ALA 38 Cb 0.50 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.77 1x9a n ALA 38 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1x9a n LEU 39 N -1.73 2.93 -5.00 0.00 4.77 -1.09 -2.39 117.00 114.49 1x9a n LEU 39 Ca 0.04 -2.13 -0.21 0.00 -0.03 0.00 0.00 56.01 53.69 1x9a n LEU 39 Cb 0.23 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1x9a n LEU 39 CO 0.18 0.70 0.26 -0.70 -1.33 0.00 0.00 177.39 176.50 1x9a s GLU 40 N -1.22 2.37 0.29 3.23 2.12 -0.73 -4.93 118.70 119.83 1x9a s GLU 40 Ca 0.23 -1.66 0.14 0.00 0.36 0.00 0.00 54.97 54.04 1x9a s GLU 40 Cb 0.13 -2.55 0.33 0.00 0.26 0.00 0.00 34.13 32.31 1x9a s GLU 40 CO 0.13 -0.72 1.57 1.49 -0.54 0.00 0.00 175.26 177.19 1x9a h GLU 41 N 0.37 0.00 -6.01 4.30 4.57 -1.95 -3.47 114.58 112.39 1x9a h GLU 41 Ca -0.33 0.00 -0.85 0.00 -1.18 0.00 0.00 59.36 57.00 1x9a h GLU 41 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1x9a h GLU 41 CO 0.45 0.56 0.80 1.47 -1.18 0.00 0.00 179.01 181.11 1x9a n LEU 42 N -3.51 1.26 -4.16 1.64 -0.00 -1.26 -4.97 117.00 106.01 1x9a n LEU 42 Ca 0.00 1.11 -0.26 0.00 -0.00 0.00 0.00 56.01 56.85 1x9a n LEU 42 Cb 0.65 -0.91 -0.16 0.00 -0.00 0.00 0.00 43.42 43.00 1x9a n LEU 42 CO 0.40 -0.79 -0.51 -1.61 -0.00 0.00 0.00 177.39 174.88 1x9a s GLU 43 N 3.47 1.71 0.03 1.47 2.02 -1.26 -5.03 118.70 121.11 1x9a s GLU 43 Ca 1.06 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 55.42 1x9a s GLU 43 Cb -1.46 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1x9a s GLU 43 CO 0.78 0.32 -0.06 -0.08 0.02 0.00 0.00 175.26 176.23 1x9a s THR 44 N -0.17 0.42 0.60 3.63 -1.32 -1.26 -5.02 115.64 112.53 1x9a s THR 44 Ca 0.01 -0.87 0.42 0.00 -1.21 0.00 0.00 61.69 60.03 1x9a s THR 44 Cb -0.10 -0.48 0.43 0.00 -1.51 0.00 0.00 72.50 70.84 1x9a s THR 44 CO 0.01 -0.31 2.32 1.55 -2.21 0.00 0.00 174.62 175.98 1x9a h PRO 45 N 4.82 0.00 -7.15 7.08 0.13 -1.91 -3.43 132.00 131.55 1x9a h PRO 45 Ca -0.33 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.31 1x9a h PRO 45 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 1x9a h PRO 45 CO 0.43 0.00 0.38 0.00 -0.23 0.00 0.00 178.00 178.58 1x9a s ALA 46 N -4.16 2.80 -0.60 -0.56 0.00 -1.21 -4.42 121.76 113.60 1x9a s ALA 46 Ca -0.04 0.46 -0.26 0.00 0.00 0.00 0.00 51.96 52.12 1x9a s ALA 46 Cb 0.13 -3.24 0.04 0.00 0.00 0.00 0.00 23.12 20.05 1x9a s ALA 46 CO 0.44 -0.61 1.09 0.15 0.00 0.00 0.00 175.76 176.83 1x9a s LYS 47 N -3.78 3.37 -0.16 0.00 -0.14 -0.94 -4.89 119.74 113.19 1x9a s LYS 47 Ca 0.65 -0.10 -0.12 0.00 -1.36 0.00 0.00 55.97 55.04 1x9a s LYS 47 Cb -0.16 -4.07 -0.05 0.00 -1.68 0.00 0.00 37.83 31.87 1x9a s LYS 47 CO 0.31 -1.69 0.22 0.54 -0.76 0.00 0.00 175.35 173.97 1x9a s VAL 48 N 4.62 5.35 0.02 3.17 0.11 -1.26 -2.27 120.40 130.14 1x9a s VAL 48 Ca 0.35 0.39 0.04 0.00 -2.93 0.00 0.00 61.98 59.84 1x9a s VAL 48 Cb -0.10 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 31.18 1x9a s VAL 48 CO 0.20 0.45 -0.14 -0.31 -3.33 0.00 0.00 175.10 171.97 1x9a s TYR 49 N 0.16 1.20 -0.06 1.54 2.02 0.11 -4.21 117.35 118.10 1x9a s TYR 49 Ca 0.14 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1x9a s TYR 49 Cb -0.12 -0.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.68 1x9a s TYR 49 CO 0.02 0.01 -0.15 0.00 -1.57 0.00 0.00 175.55 173.87 1x9a s ALA 50 N -0.63 2.63 -0.14 3.71 0.00 0.51 -1.00 121.76 126.84 1x9a s ALA 50 Ca 0.03 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.73 1x9a s ALA 50 Cb -0.07 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 22.00 1x9a s ALA 50 CO 0.01 0.50 2.14 -0.89 0.00 0.00 0.00 175.76 177.52 1x9a n ILE 51 N 2.52 0.48 0.08 0.00 2.08 -0.29 -0.89 119.36 123.33 1x9a n ILE 51 Ca -0.17 -0.35 -0.14 0.00 0.56 0.00 0.00 62.75 62.65 1x9a n ILE 51 Cb 0.52 -2.44 -0.06 0.00 -0.75 0.00 0.00 39.64 36.91 1x9a n ILE 51 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1x9a h LYS 52 N 13.45 0.37 -0.12 0.38 3.64 -0.38 -2.16 116.57 131.75 1x9a h LYS 52 Ca -0.44 -0.44 0.01 0.00 -1.27 0.00 0.00 60.65 58.51 1x9a h LYS 52 Cb 1.24 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 1x9a h LYS 52 CO 0.96 1.12 0.05 -0.44 -2.27 0.00 0.00 179.45 178.87 1x9a h ASP 53 N 0.19 0.07 -0.19 4.20 5.19 -1.89 0.14 116.42 124.14 1x9a h ASP 53 Ca -0.09 0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.21 1x9a h ASP 53 Cb 1.65 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.15 1x9a h ASP 53 CO 0.17 0.06 -0.29 -0.78 -3.12 0.00 0.00 179.24 175.28 1x9a h ASP 54 N 0.12 0.69 -0.19 6.45 3.58 -1.93 -1.26 116.42 123.88 1x9a h ASP 54 Ca 0.05 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 1x9a h ASP 54 Cb 0.02 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.87 1x9a h ASP 54 CO -0.04 0.94 0.02 0.15 -2.88 0.00 0.00 179.24 177.44 1x9a h PHE 55 N 0.58 0.34 -0.01 0.28 3.57 -0.96 -2.52 116.94 118.21 1x9a h PHE 55 Ca 0.07 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 1x9a h PHE 55 Cb 0.79 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.45 1x9a h PHE 55 CO 0.04 0.48 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.95 1x9a h LEU 56 N 0.10 0.53 -1.82 0.59 -0.00 -0.71 -1.82 115.31 112.18 1x9a h LEU 56 Ca 0.06 -0.75 -0.03 0.00 -0.00 0.00 0.00 57.88 57.16 1x9a h LEU 56 Cb 0.33 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1x9a h LEU 56 CO 0.00 1.20 -0.15 0.00 -0.00 0.00 0.00 178.44 179.50 1x9a h ALA 57 N 0.34 1.45 -0.26 1.53 0.00 -1.26 -1.20 119.26 119.86 1x9a h ALA 57 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1x9a h ALA 57 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1x9a h ALA 57 CO 0.11 0.18 0.00 0.54 0.00 0.00 0.00 179.25 180.09 1x9a n ARG 58 N -3.91 1.87 -0.93 0.00 1.74 -0.95 -4.92 116.66 109.57 1x9a n ARG 58 Ca -0.02 -1.33 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1x9a n ARG 58 Cb 0.24 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1x9a n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x9a n GLY 59 N 1.17 1.08 3.82 -0.13 0.00 -0.45 -5.08 105.19 105.60 1x9a n GLY 59 Ca 0.16 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1x9a n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x9a s TYR 60 N -2.29 2.91 -0.10 1.61 1.51 -0.69 -5.04 117.35 115.26 1x9a s TYR 60 Ca 0.00 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1x9a s TYR 60 Cb 0.00 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.17 1x9a s TYR 60 CO 0.00 0.31 -0.02 -1.12 -1.11 0.00 0.00 175.55 173.61 1x9a s SER 61 N -3.92 5.01 0.43 2.29 0.01 -1.26 -4.52 113.70 111.75 1x9a s SER 61 Ca 0.38 0.03 0.12 0.00 1.31 0.00 0.00 55.95 57.79 1x9a s SER 61 Cb -0.06 -1.51 0.95 0.00 0.21 0.00 0.00 66.02 65.61 1x9a s SER 61 CO 0.25 0.31 2.00 -0.33 0.41 0.00 0.00 173.24 175.88 1x9a h GLU 62 N 5.66 0.16 0.00 12.44 5.08 -1.99 -2.38 114.58 133.55 1x9a h GLU 62 Ca -0.44 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 57.79 1x9a h GLU 62 Cb 1.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1x9a h GLU 62 CO 0.57 0.25 -0.48 1.49 -1.00 0.00 0.00 179.01 179.84 1x9a h GLU 63 N 0.16 0.00 -0.00 2.33 4.22 -2.01 -3.15 114.58 116.12 1x9a h GLU 63 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.48 1x9a h GLU 63 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1x9a h GLU 63 CO 0.01 0.48 -0.23 -3.47 -2.18 0.00 0.00 179.01 173.61 1x9a n ASP 64 N -3.71 0.26 -4.73 1.04 2.03 -0.90 -4.86 116.55 105.68 1x9a n ASP 64 Ca -0.01 0.09 -0.41 0.00 0.52 0.00 0.00 54.79 54.98 1x9a n ASP 64 Cb 0.54 -0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.78 1x9a n ASP 64 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1x9a s SER 65 N -2.97 7.08 0.09 1.67 0.01 -1.19 -4.90 113.70 113.49 1x9a s SER 65 Ca 0.14 2.16 0.24 0.00 1.31 0.00 0.00 55.95 59.80 1x9a s SER 65 Cb 0.18 -2.60 0.24 0.00 0.21 0.00 0.00 66.02 64.06 1x9a s SER 65 CO 0.60 -0.41 1.21 1.17 0.41 0.00 0.00 173.24 176.22 1x9a n LYS 66 N 3.03 0.28 -4.47 12.44 4.81 -1.00 -4.93 118.16 128.32 1x9a n LYS 66 Ca 0.06 0.05 -0.25 0.00 -0.87 0.00 0.00 58.31 57.30 1x9a n LYS 66 Cb 0.45 -1.64 -0.10 0.00 0.02 0.00 0.00 35.03 33.76 1x9a n LYS 66 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1x9a s VAL 67 N -3.17 2.47 0.33 3.15 -7.23 -1.22 -5.07 120.40 109.65 1x9a s VAL 67 Ca 0.05 -2.23 -0.28 0.00 -1.81 0.00 0.00 61.98 57.71 1x9a s VAL 67 Cb 0.14 -2.55 -0.10 0.00 0.56 0.00 0.00 36.38 34.43 1x9a s VAL 67 CO 0.75 -0.29 1.23 -2.84 -0.31 0.00 0.00 175.10 173.64 1x9a s PRO 68 N -3.59 4.39 -0.13 4.82 0.02 -1.26 -4.88 135.00 134.37 1x9a s PRO 68 Ca 0.32 2.05 -0.02 0.00 0.02 0.00 0.00 61.00 63.37 1x9a s PRO 68 Cb -0.01 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 1x9a s PRO 68 CO 0.17 -0.10 -0.05 -0.51 -0.33 0.00 0.00 177.00 176.17 1x9a s LEU 69 N -1.80 3.19 0.04 -5.54 2.01 -1.26 -0.36 118.68 114.95 1x9a s LEU 69 Ca 0.49 -0.11 0.09 0.00 0.01 0.00 0.00 54.13 54.61 1x9a s LEU 69 Cb -0.36 -1.74 -0.03 0.00 0.01 0.00 0.00 46.19 44.07 1x9a s LEU 69 CO 0.48 0.23 -0.25 0.27 1.01 0.00 0.00 176.35 178.09 1x9a s ILE 70 N 0.01 2.01 0.49 -0.59 -0.00 -0.07 -4.81 121.20 118.24 1x9a s ILE 70 Ca -0.00 -1.33 0.09 0.00 -0.00 0.00 0.00 60.65 59.41 1x9a s ILE 70 Cb -0.13 -1.72 0.04 0.00 -0.00 0.00 0.00 42.46 40.65 1x9a s ILE 70 CO 0.03 0.33 0.65 0.42 -0.00 0.00 0.00 174.94 176.37 1x9a s THR 71 N -0.79 2.54 0.28 8.37 -4.23 -1.26 0.39 115.64 120.93 1x9a s THR 71 Ca 0.11 -1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1x9a s THR 71 Cb -0.10 -2.58 0.44 0.00 1.34 0.00 0.00 72.50 71.61 1x9a s THR 71 CO 0.02 0.00 1.56 1.88 -0.54 0.00 0.00 174.62 177.54 1x9a h TYR 72 N 0.46 -0.44 -0.69 3.99 0.05 -1.99 0.41 116.97 118.76 1x9a h TYR 72 Ca -0.35 0.09 0.07 0.00 0.05 0.00 0.00 58.73 58.59 1x9a h TYR 72 Cb 1.28 0.35 -0.06 0.00 1.01 0.00 0.00 36.73 39.31 1x9a h TYR 72 CO 0.45 -0.42 0.37 0.77 -1.05 0.00 0.00 178.16 178.27 1x9a h SER 73 N 0.00 0.52 -0.01 3.88 0.02 -1.99 0.29 113.55 116.27 1x9a h SER 73 Ca 0.49 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 61.38 1x9a h SER 73 Cb 0.80 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.30 1x9a h SER 73 CO -1.00 0.32 -0.41 -0.33 -1.14 0.00 0.00 176.83 174.27 1x9a h GLU 74 N 0.66 0.29 -0.73 3.45 4.39 -1.17 -2.63 114.58 118.84 1x9a h GLU 74 Ca 0.32 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1x9a h GLU 74 Cb 0.26 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1x9a h GLU 74 CO -0.22 1.00 0.22 0.35 -1.16 0.00 0.00 179.01 179.20 1x9a h PHE 75 N -0.30 1.18 -0.08 4.33 3.57 -0.08 0.19 116.94 125.76 1x9a h PHE 75 Ca -0.05 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1x9a h PHE 75 Cb 1.14 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 1x9a h PHE 75 CO 0.16 0.94 0.02 0.82 -2.23 0.00 0.00 178.31 178.02 1x9a h ILE 76 N 1.09 1.17 -0.18 1.41 5.03 -0.52 -2.39 117.51 123.13 1x9a h ILE 76 Ca 0.23 -0.52 -0.10 0.00 -0.12 0.00 0.00 64.86 64.36 1x9a h ILE 76 Cb 0.32 1.37 -0.01 0.00 -3.03 0.00 0.00 36.82 35.47 1x9a h ILE 76 CO -0.01 0.15 -0.33 -0.78 -0.68 0.00 0.00 178.15 176.50 1x9a h ASP 77 N -0.06 0.37 -0.10 1.72 1.82 -1.18 -2.17 116.42 116.81 1x9a h ASP 77 Ca 0.03 -0.14 0.04 0.00 -0.39 0.00 0.00 57.03 56.57 1x9a h ASP 77 Cb 0.21 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 40.06 1x9a h ASP 77 CO -0.00 0.68 -0.27 0.25 -1.61 0.00 0.00 179.24 178.29 1x9a h LEU 78 N 0.31 -0.82 -1.89 2.28 5.85 -0.55 -2.59 115.31 117.89 1x9a h LEU 78 Ca 0.04 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1x9a h LEU 78 Cb 0.74 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1x9a h LEU 78 CO 0.06 -0.32 -0.08 0.25 -0.34 0.00 0.00 178.44 178.01 1x9a h LEU 79 N -0.35 0.00 0.00 2.25 5.85 -0.87 0.46 115.31 122.65 1x9a h LEU 79 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1x9a h LEU 79 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1x9a h LEU 79 CO -0.30 0.08 0.00 -0.62 -0.34 0.00 0.00 178.44 177.25 1x9a n GLU 80 N -4.36 0.06 -0.95 1.25 -0.58 -0.99 -4.88 120.64 110.19 1x9a n GLU 80 Ca -0.03 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1x9a n GLU 80 Cb 0.16 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1x9a n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x9a n GLY 81 N 0.39 0.44 4.58 0.62 0.00 0.16 -2.74 105.19 108.66 1x9a n GLY 81 Ca 0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.95 0.00 -0.06 1.61 2.13 -1.13 -4.49 120.64 115.75 1x9a n GLU 82 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1x9a n GLU 82 Cb 0.00 -0.20 0.37 0.00 0.27 0.00 0.00 31.44 31.88 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 0.66 -5.58 5.31 4.57 -1.90 -3.48 114.58 114.16 1x9a h GLU 83 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1x9a h GLU 83 Cb 0.00 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1x9a h GLU 83 CO 0.00 0.45 -0.34 0.36 -1.18 0.00 0.00 179.01 178.29 1x9a n LYS 84 N -4.45 -1.90 0.24 1.92 2.85 -1.11 -4.88 118.16 110.83 1x9a n LYS 84 Ca 0.04 1.59 0.14 0.00 -1.05 0.00 0.00 58.31 59.03 1x9a n LYS 84 Cb 0.06 -1.73 0.38 0.00 -0.65 0.00 0.00 35.03 33.09 1x9a n LYS 84 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 1x9a h PHE 85 N 4.72 0.00 -0.74 5.58 3.57 -1.93 -3.20 116.94 124.94 1x9a h PHE 85 Ca -0.11 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 1x9a h PHE 85 Cb 0.24 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1x9a h PHE 85 CO 0.00 0.00 0.32 -0.84 -2.23 0.00 0.00 178.31 175.56 1x9a h ILE 86 N 0.00 1.24 0.00 1.41 3.07 -1.95 -3.56 117.51 117.73 1x9a h ILE 86 Ca 0.00 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1x9a h ILE 86 Cb 0.80 0.34 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 1x9a h ILE 86 CO 0.00 0.31 0.00 0.61 -1.05 0.00 0.00 178.15 178.02