#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 6.70 -3.75 3.17 0.00 -1.26 -4.76 120.51 120.61 1x9a n ALA 2 Ca 0.00 -2.39 -0.29 0.00 0.00 0.00 0.00 53.44 50.76 1x9a n ALA 2 Cb 0.00 -2.69 -0.16 0.00 0.00 0.00 0.00 19.45 16.60 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 0.06 1.59 -0.15 0.00 2.96 -1.26 -1.46 118.68 120.41 1x9a s LEU 3 Ca 0.67 -1.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1x9a s LEU 3 Cb 0.27 -0.72 0.04 0.00 0.50 0.00 0.00 46.19 46.27 1x9a s LEU 3 CO -0.02 -0.34 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.92 1x9a s VAL 4 N 1.75 1.15 -0.21 1.68 1.01 0.66 -4.96 120.40 121.49 1x9a s VAL 4 Ca 0.02 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 1x9a s VAL 4 Cb -0.17 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1x9a s VAL 4 CO -0.14 0.21 0.00 -0.76 0.00 0.00 0.00 175.10 174.41 1x9a s LEU 5 N 1.63 3.21 -0.26 3.92 1.43 -1.26 -1.67 118.68 125.68 1x9a s LEU 5 Ca 0.02 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1x9a s LEU 5 Cb -0.14 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1x9a s LEU 5 CO -0.08 0.04 0.12 -0.69 0.23 0.00 0.00 176.35 175.96 1x9a s VAL 6 N 1.17 4.72 -0.41 -1.59 1.01 -0.31 -4.95 120.40 120.03 1x9a s VAL 6 Ca 0.03 -0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.08 1x9a s VAL 6 Cb -0.14 -3.22 0.35 0.00 0.00 0.00 0.00 36.38 33.36 1x9a s VAL 6 CO 0.01 0.30 0.78 2.29 0.00 0.00 0.00 175.10 178.49 1x9a n LYS 7 N 4.98 1.43 -3.65 2.72 2.85 -1.26 -1.42 118.16 123.81 1x9a n LYS 7 Ca -0.15 -3.67 -0.14 0.00 -1.05 0.00 0.00 58.31 53.30 1x9a n LYS 7 Cb 0.52 -1.80 -0.07 0.00 -0.65 0.00 0.00 35.03 33.03 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 -2.66 -0.34 0.62 5.58 2.02 -1.26 -4.53 117.35 116.78 1x9a s TYR 8 Ca 0.41 0.44 -0.11 0.00 -0.37 0.00 0.00 57.07 57.45 1x9a s TYR 8 Cb 0.34 0.24 0.15 0.00 -0.40 0.00 0.00 41.96 42.29 1x9a s TYR 8 CO -0.09 -0.54 0.76 0.41 -1.57 0.00 0.00 175.55 174.52 1x9a n GLY 9 N 0.78 -1.68 0.30 0.71 0.00 -1.24 -3.15 105.19 100.92 1x9a n GLY 9 Ca -0.19 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.37 1x9a n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1x9a h THR 10 N -1.66 0.09 -0.27 2.61 1.35 -1.93 -3.15 112.91 109.96 1x9a h THR 10 Ca -0.26 -0.33 -0.63 0.00 -0.55 0.00 0.00 66.41 64.65 1x9a h THR 10 Cb 0.72 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.42 1x9a h THR 10 CO 0.18 0.02 2.99 -0.67 -0.25 0.00 0.00 175.52 177.79 1x9a n ASP 11 N -3.17 8.17 -2.98 5.36 2.03 -1.26 -4.47 116.55 120.25 1x9a n ASP 11 Ca -0.01 -2.70 -0.00 0.00 0.52 0.00 0.00 54.79 52.60 1x9a n ASP 11 Cb 0.21 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.12 1x9a n ASP 11 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1x9a s HIS 12 N 1.23 -1.35 0.41 -0.67 3.76 -1.19 -5.05 115.29 112.43 1x9a s HIS 12 Ca 0.66 -0.01 0.15 0.00 -0.15 0.00 0.00 55.06 55.70 1x9a s HIS 12 Cb 0.20 0.25 1.01 0.00 1.11 0.00 0.00 32.58 35.16 1x9a s HIS 12 CO -0.07 -0.96 1.90 -1.35 -0.85 0.00 0.00 174.74 173.41 1x9a h PRO 13 N 5.99 0.46 0.00 8.40 0.11 -1.90 -1.04 132.00 144.02 1x9a h PRO 13 Ca 0.03 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1x9a h PRO 13 Cb 1.17 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1x9a h PRO 13 CO 0.03 0.30 -0.13 -0.24 -0.21 0.00 0.00 178.00 177.75 1x9a h VAL 14 N 0.47 0.88 -0.92 3.15 3.04 -1.96 -1.27 116.25 119.64 1x9a h VAL 14 Ca 0.40 -0.50 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1x9a h VAL 14 Cb 0.87 1.29 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 1x9a h VAL 14 CO -0.14 0.13 0.55 -0.33 -1.01 0.00 0.00 177.57 176.77 1x9a h GLU 15 N 0.00 1.25 0.31 4.17 3.07 -1.56 -2.51 114.58 119.32 1x9a h GLU 15 Ca -0.00 -0.11 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1x9a h GLU 15 Cb 0.28 -0.26 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1x9a h GLU 15 CO 0.02 0.87 -0.42 -0.22 -1.40 0.00 0.00 179.01 177.86 1x9a h LYS 16 N 1.27 -0.75 0.00 2.33 1.63 -1.32 -1.94 116.57 117.79 1x9a h LYS 16 Ca 0.33 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1x9a h LYS 16 Cb -0.05 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1x9a h LYS 16 CO -0.06 -0.50 0.00 1.37 -3.45 0.00 0.00 179.45 176.81 1x9a h LEU 17 N -0.78 0.00 -0.23 5.20 -0.00 -1.60 0.13 115.31 118.03 1x9a h LEU 17 Ca -0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.75 1x9a h LEU 17 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1x9a h LEU 17 CO -0.13 0.00 -0.30 0.11 -0.00 0.00 0.00 178.44 178.13 1x9a h LYS 18 N 0.00 0.61 -0.37 0.17 1.57 -1.12 -0.30 116.57 117.13 1x9a h LYS 18 Ca 0.00 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.27 1x9a h LYS 18 Cb 0.72 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1x9a h LYS 18 CO 0.00 0.95 -0.39 0.82 -0.57 0.00 0.00 179.45 180.26 1x9a h ILE 19 N 0.30 1.27 -0.69 1.86 2.04 -1.13 -3.15 117.51 118.01 1x9a h ILE 19 Ca 0.03 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.25 1x9a h ILE 19 Cb 0.87 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1x9a h ILE 19 CO 0.07 0.52 0.14 -0.09 0.00 0.00 0.00 178.15 178.79 1x9a h ARG 20 N 0.73 1.12 -0.54 2.37 2.43 -0.96 -2.96 114.38 116.57 1x9a h ARG 20 Ca 0.06 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1x9a h ARG 20 Cb 0.98 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1x9a h ARG 20 CO 0.10 1.00 0.00 0.45 -1.51 0.00 0.00 179.97 180.01 1x9a n SER 21 N -4.23 2.93 -4.79 -3.80 2.88 -0.13 -4.71 113.62 101.77 1x9a n SER 21 Ca 0.05 -2.10 -0.34 0.00 -1.33 0.00 0.00 58.87 55.15 1x9a n SER 21 Cb 0.27 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 1x9a n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x9a s ALA 22 N -1.46 2.76 0.52 -1.46 0.00 -1.12 -5.04 121.76 115.96 1x9a s ALA 22 Ca 0.34 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1x9a s ALA 22 Cb 0.19 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1x9a s ALA 22 CO 0.21 -0.60 0.73 0.15 0.00 0.00 0.00 175.76 176.26 1x9a s LYS 23 N -3.34 2.67 0.59 0.00 -0.14 -1.26 -4.27 119.74 113.99 1x9a s LYS 23 Ca 0.70 -0.78 0.36 0.00 -1.36 0.00 0.00 55.97 54.88 1x9a s LYS 23 Cb -0.20 -2.53 1.83 0.00 -1.68 0.00 0.00 37.83 35.25 1x9a s LYS 23 CO 0.25 -0.58 2.18 0.00 -0.76 0.00 0.00 175.35 176.44 1x9a h ALA 24 N 0.20 1.13 0.00 5.17 0.00 -1.95 -1.25 119.26 122.56 1x9a h ALA 24 Ca -0.43 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1x9a h ALA 24 Cb 1.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x9a h ALA 24 CO 0.52 0.05 -0.91 0.93 0.00 0.00 0.00 179.25 179.84 1x9a h GLU 25 N 0.00 0.00 -7.19 0.00 5.08 -1.94 -3.40 114.58 107.13 1x9a h GLU 25 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1x9a h GLU 25 Cb 0.22 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.60 1x9a h GLU 25 CO 0.00 0.03 0.38 -0.51 -1.00 0.00 0.00 179.01 177.91 1x9a s ASP 26 N -5.51 4.73 -0.07 1.42 1.01 -0.48 -4.81 116.67 112.96 1x9a s ASP 26 Ca 0.00 2.13 0.04 0.00 0.71 0.00 0.00 52.55 55.43 1x9a s ASP 26 Cb 0.09 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.45 1x9a s ASP 26 CO 0.78 -1.89 -0.21 -0.54 0.21 0.00 0.00 175.17 173.52 1x9a s LYS 27 N -4.05 2.45 -0.16 8.23 1.02 -0.54 -0.52 119.74 126.18 1x9a s LYS 27 Ca 0.69 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.94 1x9a s LYS 27 Cb -0.23 -1.96 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 1x9a s LYS 27 CO 0.43 0.20 -0.16 0.42 -0.92 0.00 0.00 175.35 175.33 1x9a s ILE 28 N 0.24 1.73 -0.14 2.17 1.01 0.65 -0.24 121.20 126.61 1x9a s ILE 28 Ca -0.12 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1x9a s ILE 28 Cb -0.15 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1x9a s ILE 28 CO 0.06 0.47 -0.11 -0.69 0.00 0.00 0.00 174.94 174.67 1x9a s VAL 29 N 1.42 3.15 -0.12 2.92 1.01 -0.67 0.05 120.40 128.16 1x9a s VAL 29 Ca 0.05 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 1x9a s VAL 29 Cb -0.13 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1x9a s VAL 29 CO -0.11 0.51 0.77 -0.76 0.00 0.00 0.00 175.10 175.50 1x9a s LEU 30 N 0.51 4.24 0.00 3.92 2.01 0.29 -1.16 118.68 128.49 1x9a s LEU 30 Ca -0.08 1.18 -0.00 0.00 0.01 0.00 0.00 54.13 55.24 1x9a s LEU 30 Cb -0.15 -3.16 -0.00 0.00 0.01 0.00 0.00 46.19 42.88 1x9a s LEU 30 CO 0.04 -0.26 -0.00 -0.51 1.01 0.00 0.00 176.35 176.62 1x9a s ILE 31 N 1.50 0.02 0.00 -0.59 1.10 -0.50 -2.39 121.20 120.34 1x9a s ILE 31 Ca 0.38 -0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.39 1x9a s ILE 31 Cb -0.17 -0.05 0.00 0.00 0.15 0.00 0.00 42.46 42.39 1x9a s ILE 31 CO 0.16 -0.07 0.00 0.00 -2.11 0.00 0.00 174.94 172.92 1x9a n GLN 32 N 2.87 0.00 0.26 3.50 6.02 -1.26 -1.12 117.38 127.65 1x9a n GLN 32 Ca -0.14 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.01 1x9a n GLN 32 Cb 0.59 0.00 0.60 0.00 1.02 0.00 0.00 30.24 32.46 1x9a n GLN 32 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1x9a h ASN 33 N 0.00 0.00 0.53 1.08 -0.73 -1.86 -2.80 115.58 111.80 1x9a h ASN 33 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1x9a h ASN 33 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1x9a h ASN 33 CO 0.00 0.04 0.00 1.23 -0.37 0.00 0.00 177.43 178.33 1x9a h GLY 34 N 2.20 0.00 1.76 1.57 0.00 -1.07 -2.88 103.07 104.65 1x9a h GLY 34 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1x9a h GLY 34 CO 0.01 0.00 0.11 -0.39 0.00 0.00 0.00 176.54 176.26 1x9a h VAL 35 N 0.00 0.26 0.00 4.60 -1.51 -1.67 -0.63 116.25 117.30 1x9a h VAL 35 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.42 1x9a h VAL 35 Cb 0.26 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.32 1x9a h VAL 35 CO 0.00 0.00 -0.23 -0.26 -1.23 0.00 0.00 177.57 175.85 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 0.04 -1.77 -2.29 116.94 118.11 1x9a h PHE 36 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1x9a h PHE 36 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1x9a h PHE 36 CO 0.00 0.23 0.00 -1.49 -0.60 0.00 0.00 178.31 176.45 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.35 -2.94 115.95 115.16 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 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1x9a h TRP 37 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 1x9a n ALA 38 N -1.99 1.74 0.93 1.49 0.00 -0.86 -1.98 120.51 119.84 1x9a n ALA 38 Ca 0.04 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1x9a n ALA 38 Cb 0.45 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.78 1.19 -4.87 0.00 4.77 -1.11 -0.75 117.00 114.45 1x9a n LEU 39 Ca 0.03 -0.57 -0.31 0.00 -0.03 0.00 0.00 56.01 55.13 1x9a n LEU 39 Cb 0.21 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1x9a n LEU 39 CO 0.17 0.27 0.39 -0.70 -1.33 0.00 0.00 177.39 176.19 1x9a s GLU 40 N -2.73 3.86 -0.05 3.23 2.12 -0.84 -4.73 118.70 119.57 1x9a s GLU 40 Ca 0.10 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.92 1x9a s GLU 40 Cb 0.15 -2.45 0.06 0.00 0.26 0.00 0.00 34.13 32.15 1x9a s GLU 40 CO 0.74 0.10 1.13 -1.91 -0.54 0.00 0.00 175.26 174.78 1x9a n GLU 41 N -0.78 1.13 -2.13 4.30 2.13 -1.26 -4.78 120.64 119.25 1x9a n GLU 41 Ca 0.02 -0.30 -0.36 0.00 0.66 0.00 0.00 57.16 57.19 1x9a n GLU 41 Cb 0.53 -1.12 0.02 0.00 0.27 0.00 0.00 31.44 31.15 1x9a n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1x9a s LEU 42 N -0.33 3.71 -0.14 4.31 0.05 -1.26 -5.03 118.68 119.99 1x9a s LEU 42 Ca 0.06 2.29 0.01 0.00 0.05 0.00 0.00 54.13 56.53 1x9a s LEU 42 Cb 0.05 -4.59 -0.00 0.00 -2.05 0.00 0.00 46.19 39.59 1x9a s LEU 42 CO 0.01 -1.41 -0.16 -1.61 -0.55 0.00 0.00 176.35 172.62 1x9a s GLU 43 N -3.31 3.23 -0.01 1.48 2.02 -1.26 -5.10 118.70 115.75 1x9a s GLU 43 Ca 0.75 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 55.00 1x9a s GLU 43 Cb -0.27 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.40 1x9a s GLU 43 CO 0.30 0.10 -0.04 -0.08 0.02 0.00 0.00 175.26 175.56 1x9a s THR 44 N 0.60 0.35 -0.37 3.63 -1.32 -1.26 -4.68 115.64 112.59 1x9a s THR 44 Ca -0.09 -0.14 0.26 0.00 -1.21 0.00 0.00 61.69 60.51 1x9a s THR 44 Cb -0.16 -0.34 0.28 0.00 -1.51 0.00 0.00 72.50 70.78 1x9a s THR 44 CO 0.03 0.13 1.77 -0.65 -2.21 0.00 0.00 174.62 173.69 1x9a h PRO 45 N 6.40 0.00 -7.54 7.08 0.11 -1.85 -3.45 132.00 132.75 1x9a h PRO 45 Ca -0.32 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.31 1x9a h PRO 45 Cb 1.18 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.38 1x9a h PRO 45 CO 0.50 0.00 0.40 0.00 -0.21 0.00 0.00 178.00 178.68 1x9a s ALA 46 N -3.38 2.66 -0.55 -0.75 0.00 -1.18 -3.95 121.76 114.61 1x9a s ALA 46 Ca 0.04 -0.49 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 1x9a s ALA 46 Cb 0.09 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.24 1x9a s ALA 46 CO 0.43 -1.51 1.23 0.15 0.00 0.00 0.00 175.76 176.07 1x9a s LYS 47 N -5.44 3.51 -0.18 0.00 -0.14 0.32 -4.92 119.74 112.89 1x9a s LYS 47 Ca 0.61 0.36 -0.12 0.00 -1.36 0.00 0.00 55.97 55.46 1x9a s LYS 47 Cb -0.11 -4.02 -0.05 0.00 -1.68 0.00 0.00 37.83 31.97 1x9a s LYS 47 CO 0.51 -1.68 0.22 0.54 -0.76 0.00 0.00 175.35 174.19 1x9a s VAL 48 N 5.09 5.35 0.00 3.17 0.11 -1.26 -0.26 120.40 132.60 1x9a s VAL 48 Ca 0.46 0.39 0.01 0.00 -2.93 0.00 0.00 61.98 59.91 1x9a s VAL 48 Cb -0.08 -3.56 -0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1x9a s VAL 48 CO 0.27 0.40 -0.03 -0.31 -3.33 0.00 0.00 175.10 172.10 1x9a s TYR 49 N 0.50 0.27 -0.10 1.54 2.02 0.11 -4.18 117.35 117.51 1x9a s TYR 49 Ca 0.13 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 1x9a s TYR 49 Cb -0.12 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.25 1x9a s TYR 49 CO 0.02 -0.02 -0.18 0.00 -1.57 0.00 0.00 175.55 173.79 1x9a s ALA 50 N -0.25 2.42 -0.25 3.71 0.00 0.38 -0.55 121.76 127.22 1x9a s ALA 50 Ca -0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.71 1x9a s ALA 50 Cb -0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1x9a s ALA 50 CO -0.00 0.34 1.49 -1.50 0.00 0.00 0.00 175.76 176.09 1x9a s ILE 51 N 0.08 3.87 0.14 0.00 2.07 -1.00 -1.15 121.20 125.21 1x9a s ILE 51 Ca -0.08 0.98 -0.13 0.00 -1.41 0.00 0.00 60.65 60.01 1x9a s ILE 51 Cb -0.15 -3.89 -0.00 0.00 0.13 0.00 0.00 42.46 38.54 1x9a s ILE 51 CO 0.05 -0.37 1.58 0.50 -1.91 0.00 0.00 174.94 174.79 1x9a h LYS 52 N 10.16 0.81 -0.37 3.50 3.64 0.49 -1.95 116.57 132.84 1x9a h LYS 52 Ca -0.31 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1x9a h LYS 52 Cb 1.13 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1x9a h LYS 52 CO 1.01 0.88 0.19 -0.44 -2.27 0.00 0.00 179.45 178.82 1x9a h ASP 53 N 0.65 0.28 0.48 4.20 3.32 -1.91 0.41 116.42 123.85 1x9a h ASP 53 Ca 0.12 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.06 1x9a h ASP 53 Cb 0.53 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1x9a h ASP 53 CO 0.03 0.21 -0.56 -0.78 -1.72 0.00 0.00 179.24 176.41 1x9a h ASP 54 N 0.39 0.10 -0.15 6.45 3.58 -1.92 -0.97 116.42 123.90 1x9a h ASP 54 Ca 0.16 -0.05 -0.17 0.00 0.42 0.00 0.00 57.03 57.38 1x9a h ASP 54 Cb 0.06 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.09 1x9a h ASP 54 CO -0.10 0.64 -0.58 0.15 -2.88 0.00 0.00 179.24 176.46 1x9a h PHE 55 N 0.07 0.88 0.09 0.28 3.57 -0.52 -2.50 116.94 118.81 1x9a h PHE 55 Ca -0.00 -0.37 -0.28 0.00 3.53 0.00 0.00 57.97 60.85 1x9a h PHE 55 Cb 1.02 -0.14 0.02 0.00 2.79 0.00 0.00 35.95 39.63 1x9a h PHE 55 CO 0.01 1.17 -1.17 -0.07 -2.23 0.00 0.00 178.31 176.02 1x9a h LEU 56 N 0.33 0.69 -1.90 0.59 -0.00 -0.18 -3.00 115.31 111.84 1x9a h LEU 56 Ca -0.03 -0.64 -0.02 0.00 -0.00 0.00 0.00 57.88 57.19 1x9a h LEU 56 Cb 1.22 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1x9a h LEU 56 CO 0.12 1.46 -0.11 0.00 -0.00 0.00 0.00 178.44 179.91 1x9a h ALA 57 N 0.47 1.25 0.00 1.53 0.00 -1.23 -0.05 119.26 121.23 1x9a h ALA 57 Ca -0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x9a h ALA 57 Cb 1.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1x9a h ALA 57 CO 0.21 0.14 0.00 -2.13 0.00 0.00 0.00 179.25 177.47 1x9a n ARG 58 N -3.59 0.15 -0.79 0.00 3.00 -0.94 -4.92 116.66 109.57 1x9a n ARG 58 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1x9a n ARG 58 Cb 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.20 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 1.25 0.78 0.29 5.14 0.00 -0.03 -5.09 105.19 107.54 1x9a n GLY 59 Ca 0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.65 -0.02 -3.98 1.61 4.01 -1.17 -5.03 117.16 111.94 1x9a n TYR 60 Ca 0.00 -0.24 -0.14 0.00 -0.16 0.00 0.00 57.90 57.36 1x9a n TYR 60 Cb 0.24 0.01 -0.15 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.22 0.30 0.19 7.72 0.01 -1.26 -4.75 113.70 114.69 1x9a s SER 61 Ca 0.02 -0.04 -0.13 0.00 1.31 0.00 0.00 55.95 57.12 1x9a s SER 61 Cb 0.00 -0.07 0.19 0.00 0.21 0.00 0.00 66.02 66.35 1x9a s SER 61 CO 0.02 0.00 1.73 -0.33 0.41 0.00 0.00 173.24 175.07 1x9a h GLU 62 N 6.35 0.29 0.00 12.44 5.08 -1.97 -2.43 114.58 134.34 1x9a h GLU 62 Ca -0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1x9a h GLU 62 Cb 1.19 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1x9a h GLU 62 CO 0.50 0.19 -0.05 1.49 -1.00 0.00 0.00 179.01 180.15 1x9a h GLU 63 N 0.30 0.00 0.00 2.33 4.81 -1.97 -2.15 114.58 117.90 1x9a h GLU 63 Ca 0.25 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1x9a h GLU 63 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1x9a h GLU 63 CO -0.29 0.05 -0.22 0.22 -0.73 0.00 0.00 179.01 178.04 1x9a h ASP 64 N 0.00 0.00 -4.23 1.04 3.58 -1.86 -3.44 116.42 111.50 1x9a h ASP 64 Ca -0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 1x9a h ASP 64 Cb 0.10 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.18 1x9a h ASP 64 CO 0.01 0.22 0.39 -0.44 -2.88 0.00 0.00 179.24 176.53 1x9a s SER 65 N -6.18 6.43 0.03 2.28 0.01 -0.81 -4.84 113.70 110.62 1x9a s SER 65 Ca 0.01 1.56 0.21 0.00 1.31 0.00 0.00 55.95 59.04 1x9a s SER 65 Cb 0.09 -2.50 -0.20 0.00 0.21 0.00 0.00 66.02 63.62 1x9a s SER 65 CO 0.64 -0.72 0.65 1.17 0.41 0.00 0.00 173.24 175.39 1x9a n LYS 66 N -1.91 0.64 -3.86 12.44 4.81 0.07 -4.97 118.16 125.38 1x9a n LYS 66 Ca 0.07 -0.01 -0.21 0.00 -0.87 0.00 0.00 58.31 57.29 1x9a n LYS 66 Cb 0.54 -1.66 -0.02 0.00 0.02 0.00 0.00 35.03 33.91 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 -3.24 5.04 0.43 3.15 -7.23 -1.22 -5.08 120.40 112.24 1x9a s VAL 67 Ca -0.05 -0.97 -0.24 0.00 -1.81 0.00 0.00 61.98 58.90 1x9a s VAL 67 Cb 0.11 -3.78 -0.08 0.00 0.56 0.00 0.00 36.38 33.19 1x9a s VAL 67 CO 0.85 -0.31 1.20 -2.84 -0.31 0.00 0.00 175.10 173.69 1x9a s PRO 68 N -4.03 3.91 -0.14 4.82 0.02 -1.26 -4.82 135.00 133.50 1x9a s PRO 68 Ca 0.36 1.89 -0.05 0.00 0.02 0.00 0.00 61.00 63.22 1x9a s PRO 68 Cb -0.09 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.80 1x9a s PRO 68 CO 0.30 -0.46 0.06 -0.51 -0.33 0.00 0.00 177.00 176.05 1x9a s LEU 69 N -2.69 3.84 0.19 -5.54 2.01 -1.26 -0.47 118.68 114.76 1x9a s LEU 69 Ca 0.60 0.17 0.10 0.00 0.01 0.00 0.00 54.13 55.01 1x9a s LEU 69 Cb -0.32 -1.93 -0.04 0.00 0.01 0.00 0.00 46.19 43.91 1x9a s LEU 69 CO 0.40 0.29 -0.22 0.27 1.01 0.00 0.00 176.35 178.10 1x9a s ILE 70 N -0.31 2.15 0.47 -0.59 -0.00 -0.30 -4.85 121.20 117.77 1x9a s ILE 70 Ca 0.08 -2.00 0.07 0.00 -0.00 0.00 0.00 60.65 58.80 1x9a s ILE 70 Cb -0.12 -2.02 0.03 0.00 -0.00 0.00 0.00 42.46 40.35 1x9a s ILE 70 CO 0.02 -0.21 0.64 0.42 -0.00 0.00 0.00 174.94 175.81 1x9a s THR 71 N -1.85 2.80 0.47 8.37 -4.23 -1.26 0.11 115.64 120.05 1x9a s THR 71 Ca 0.19 -0.95 0.19 0.00 -1.18 0.00 0.00 61.69 59.94 1x9a s THR 71 Cb -0.07 -2.85 0.36 0.00 1.34 0.00 0.00 72.50 71.29 1x9a s THR 71 CO 0.09 0.00 1.97 0.10 -0.54 0.00 0.00 174.62 176.24 1x9a h TYR 72 N 0.47 0.26 -0.32 3.99 -0.00 -1.98 0.45 116.97 119.85 1x9a h TYR 72 Ca -0.38 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.33 1x9a h TYR 72 Cb 1.28 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 37.91 1x9a h TYR 72 CO 0.39 0.11 0.12 0.77 -0.00 0.00 0.00 178.16 179.55 1x9a h SER 73 N 0.24 0.45 1.20 0.10 0.02 -2.00 -2.10 113.55 111.45 1x9a h SER 73 Ca 0.29 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1x9a h SER 73 Cb 0.83 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1x9a h SER 73 CO -0.06 0.50 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.40 1x9a h GLU 74 N 0.37 0.00 -0.52 3.45 5.08 -1.32 -2.44 114.58 119.20 1x9a h GLU 74 Ca 0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1x9a h GLU 74 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1x9a h GLU 74 CO -0.01 0.40 0.13 0.35 -1.00 0.00 0.00 179.01 178.88 1x9a h PHE 75 N 0.00 0.81 -0.45 4.33 3.04 0.02 0.18 116.94 124.87 1x9a h PHE 75 Ca -0.00 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.81 1x9a h PHE 75 Cb 1.11 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 1x9a h PHE 75 CO 0.00 0.68 0.03 0.82 -2.02 0.00 0.00 178.31 177.82 1x9a h ILE 76 N 0.76 1.26 -0.34 1.41 5.03 -0.93 -2.50 117.51 122.19 1x9a h ILE 76 Ca 0.17 -0.99 -0.04 0.00 -0.12 0.00 0.00 64.86 63.89 1x9a h ILE 76 Cb 0.27 1.01 -0.02 0.00 -3.03 0.00 0.00 36.82 35.06 1x9a h ILE 76 CO -0.00 0.34 0.06 0.44 -0.68 0.00 0.00 178.15 178.30 1x9a h ASP 77 N 0.62 0.47 -0.36 1.72 3.32 -0.96 -1.60 116.42 119.63 1x9a h ASP 77 Ca 0.13 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1x9a h ASP 77 Cb 0.45 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1x9a h ASP 77 CO 0.02 0.50 0.18 0.25 -1.72 0.00 0.00 179.24 178.46 1x9a h LEU 78 N 0.50 0.26 -0.98 1.55 5.85 -0.43 -2.86 115.31 119.20 1x9a h LEU 78 Ca 0.11 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1x9a h LEU 78 Cb 0.24 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1x9a h LEU 78 CO 0.00 0.19 -0.22 0.25 -0.34 0.00 0.00 178.44 178.32 1x9a h LEU 79 N 0.37 0.00 -0.68 2.25 5.85 -0.91 0.03 115.31 122.22 1x9a h LEU 79 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1x9a h LEU 79 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1x9a h LEU 79 CO -0.11 0.22 0.00 -0.62 -0.34 0.00 0.00 178.44 177.60 1x9a n GLU 80 N -3.34 0.96 0.00 1.25 -0.58 -0.68 -4.90 120.64 113.34 1x9a n GLU 80 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1x9a n GLU 80 Cb 0.45 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.16 2.14 0.00 0.62 0.00 -0.00 -2.14 105.19 105.97 1x9a n GLY 81 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 0.23 1.61 2.13 -1.24 -4.76 120.64 118.60 1x9a n GLU 82 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1x9a n GLU 82 Cb 0.00 0.00 0.44 0.00 0.27 0.00 0.00 31.44 32.15 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 0.00 -3.17 5.31 4.81 -1.90 -3.49 114.58 116.13 1x9a h GLU 83 Ca 0.00 0.00 0.33 0.00 -0.13 0.00 0.00 59.36 59.56 1x9a h GLU 83 Cb 0.00 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.24 1x9a h GLU 83 CO 0.00 0.14 -0.89 0.36 -0.73 0.00 0.00 179.01 177.89 1x9a n LYS 84 N -3.23 -2.85 0.00 1.92 2.85 -0.91 -4.97 118.16 110.98 1x9a n LYS 84 Ca 0.01 2.18 0.00 0.00 -1.05 0.00 0.00 58.31 59.45 1x9a n LYS 84 Cb 0.43 -3.45 0.00 0.00 -0.65 0.00 0.00 35.03 31.37 1x9a n LYS 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1x9a n PHE 85 N -4.10 0.00 -2.51 5.58 7.35 -1.26 -4.95 117.46 117.57 1x9a n PHE 85 Ca -0.05 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.24 1x9a n PHE 85 Cb 0.66 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.48 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 -1.32 4.03 -0.83 -2.13 -1.09 -1.26 -5.27 121.20 113.33 1x9a s ILE 86 Ca 0.00 -1.74 0.07 0.00 -2.23 0.00 0.00 60.65 56.74 1x9a s ILE 86 Cb 0.00 -5.11 0.05 0.00 -1.58 0.00 0.00 42.46 35.83 1x9a s ILE 86 CO 0.00 -1.88 0.71 0.61 -1.23 0.00 0.00 174.94 173.15