#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 -3.77 -5.12 0.00 -1.26 -4.92 120.51 105.43 1x9a n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1x9a n ALA 2 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.28 1.89 -0.26 0.00 0.20 -1.26 -1.85 118.68 115.11 1x9a s LEU 3 Ca 0.00 -1.22 -0.04 0.00 0.69 0.00 0.00 54.13 53.56 1x9a s LEU 3 Cb 0.00 -0.82 0.01 0.00 -0.43 0.00 0.00 46.19 44.96 1x9a s LEU 3 CO 0.00 -0.34 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.03 1x9a s VAL 4 N 1.67 3.35 -0.11 1.68 1.01 0.12 -4.97 120.40 123.15 1x9a s VAL 4 Ca 0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1x9a s VAL 4 Cb -0.17 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1x9a s VAL 4 CO -0.15 0.18 -0.06 -0.76 0.00 0.00 0.00 175.10 174.31 1x9a s LEU 5 N 1.41 3.15 -0.14 3.92 1.43 -1.26 -2.22 118.68 124.97 1x9a s LEU 5 Ca 0.02 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1x9a s LEU 5 Cb -0.17 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1x9a s LEU 5 CO -0.02 0.27 -0.07 -0.69 0.23 0.00 0.00 176.35 176.07 1x9a s VAL 6 N -0.24 1.09 -0.64 -1.59 1.01 -0.98 -4.97 120.40 114.08 1x9a s VAL 6 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.62 1x9a s VAL 6 Cb -0.13 -1.16 0.34 0.00 0.00 0.00 0.00 36.38 35.43 1x9a s VAL 6 CO 0.03 0.28 1.10 2.29 0.00 0.00 0.00 175.10 178.80 1x9a n LYS 7 N 4.91 3.58 -3.83 2.72 2.85 -1.26 -2.05 118.16 125.08 1x9a n LYS 7 Ca -0.12 -4.80 -0.11 0.00 -1.05 0.00 0.00 58.31 52.22 1x9a n LYS 7 Cb 0.49 -2.27 -0.09 0.00 -0.65 0.00 0.00 35.03 32.51 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 -3.62 0.00 0.00 5.58 2.02 -1.26 -4.62 117.35 115.46 1x9a s TYR 8 Ca 0.48 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 57.03 1x9a s TYR 8 Cb 0.28 -0.00 0.00 0.00 -0.40 0.00 0.00 41.96 41.83 1x9a s TYR 8 CO -0.15 -0.41 0.00 0.41 -1.57 0.00 0.00 175.55 173.84 1x9a n GLY 9 N 0.89 0.84 0.15 0.71 0.00 -1.25 -3.08 105.19 103.45 1x9a n GLY 9 Ca -0.20 -1.82 0.06 0.00 0.00 0.00 0.00 46.02 44.06 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 0.08 0.12 2.61 -2.24 -1.26 -2.85 114.28 110.74 1x9a n THR 10 Ca 0.00 -0.10 -0.02 0.00 -2.27 0.00 0.00 64.05 61.66 1x9a n THR 10 Cb 0.00 -0.03 0.19 0.00 -2.10 0.00 0.00 70.33 68.39 1x9a n THR 10 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1x9a h ASP 11 N 0.53 0.14 -3.64 3.42 5.19 -1.98 -3.41 116.42 116.67 1x9a h ASP 11 Ca 0.00 -0.07 -0.61 0.00 -0.62 0.00 0.00 57.03 55.73 1x9a h ASP 11 Cb 0.12 -0.04 -0.11 0.00 0.18 0.00 0.00 39.33 39.48 1x9a h ASP 11 CO 0.00 0.64 0.54 -1.00 -3.12 0.00 0.00 179.24 176.31 1x9a s HIS 12 N -3.86 2.93 0.01 4.55 3.76 -1.13 -4.90 115.29 116.64 1x9a s HIS 12 Ca -0.03 0.33 0.22 0.00 -0.15 0.00 0.00 55.06 55.43 1x9a s HIS 12 Cb 0.13 -3.92 0.68 0.00 1.11 0.00 0.00 32.58 30.58 1x9a s HIS 12 CO 0.77 -1.09 1.72 -1.35 -0.85 0.00 0.00 174.74 173.94 1x9a h PRO 13 N 9.07 0.00 0.00 8.40 0.11 -1.89 -3.21 132.00 144.48 1x9a h PRO 13 Ca -0.24 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.78 1x9a h PRO 13 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1x9a h PRO 13 CO 1.02 0.26 -0.43 -0.24 -0.21 0.00 0.00 178.00 178.40 1x9a h VAL 14 N 0.00 1.02 0.00 3.15 3.04 -1.97 -2.86 116.25 118.63 1x9a h VAL 14 Ca -0.00 -1.64 -0.03 0.00 -1.01 0.00 0.00 66.70 64.02 1x9a h VAL 14 Cb 0.91 1.96 -0.00 0.00 -2.01 0.00 0.00 31.29 32.15 1x9a h VAL 14 CO 0.03 0.42 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.54 1x9a h GLU 15 N 0.00 0.00 0.33 4.17 4.39 -1.93 -2.26 114.58 119.28 1x9a h GLU 15 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1x9a h GLU 15 Cb 0.93 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1x9a h GLU 15 CO 0.06 0.14 -0.28 -0.22 -1.16 0.00 0.00 179.01 177.55 1x9a h LYS 16 N 0.00 -0.60 0.00 2.33 1.63 -1.67 -1.21 116.57 117.05 1x9a h LYS 16 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1x9a h LYS 16 Cb 0.64 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1x9a h LYS 16 CO 0.02 -0.40 -0.03 1.37 -3.45 0.00 0.00 179.45 176.96 1x9a h LEU 17 N -0.62 0.00 -0.08 5.20 -0.00 -1.69 -2.55 115.31 115.57 1x9a h LEU 17 Ca -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1x9a h LEU 17 Cb 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1x9a h LEU 17 CO -0.03 0.00 0.03 0.11 -0.00 0.00 0.00 178.44 178.56 1x9a h LYS 18 N 0.00 0.12 -0.13 0.17 1.79 -0.93 0.30 116.57 117.89 1x9a h LYS 18 Ca 0.00 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.35 1x9a h LYS 18 Cb 0.78 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1x9a h LYS 18 CO 0.00 0.25 -0.37 0.82 -1.08 0.00 0.00 179.45 179.07 1x9a h ILE 19 N -0.04 1.29 -0.26 1.86 2.04 -1.19 -2.93 117.51 118.28 1x9a h ILE 19 Ca 0.03 -1.42 -0.16 0.00 1.00 0.00 0.00 64.86 64.31 1x9a h ILE 19 Cb 0.18 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1x9a h ILE 19 CO -0.00 0.43 -0.49 0.03 0.00 0.00 0.00 178.15 178.12 1x9a h ARG 20 N 0.23 0.71 0.00 2.37 3.08 -1.25 -3.05 114.38 116.48 1x9a h ARG 20 Ca 0.03 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1x9a h ARG 20 Cb 0.76 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1x9a h ARG 20 CO 0.06 1.04 0.00 -1.13 -1.07 0.00 0.00 179.97 178.87 1x9a n SER 21 N -4.00 0.00 -4.76 7.04 3.41 0.11 -4.76 113.62 110.65 1x9a n SER 21 Ca -0.03 -0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.11 1x9a n SER 21 Cb 0.58 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.30 1x9a n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x9a s ALA 22 N -2.49 2.93 0.22 7.33 0.00 -1.15 -4.66 121.76 123.95 1x9a s ALA 22 Ca 0.20 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1x9a s ALA 22 Cb 0.13 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1x9a s ALA 22 CO 0.29 -0.98 0.11 1.63 0.00 0.00 0.00 175.76 176.81 1x9a n LYS 23 N -0.67 1.28 -0.13 0.00 4.76 -1.26 -4.48 118.16 117.66 1x9a n LYS 23 Ca 0.08 -1.46 0.09 0.00 -2.87 0.00 0.00 58.31 54.15 1x9a n LYS 23 Cb 0.46 0.25 0.42 0.00 -1.84 0.00 0.00 35.03 34.33 1x9a n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x9a h ALA 24 N 0.86 1.85 -1.99 7.82 0.00 -1.97 -2.93 119.26 122.90 1x9a h ALA 24 Ca -0.16 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 54.06 1x9a h ALA 24 Cb 0.53 -0.14 -0.36 0.00 0.00 0.00 0.00 17.79 17.82 1x9a h ALA 24 CO 0.25 0.03 -0.01 -0.85 0.00 0.00 0.00 179.25 178.67 1x9a n GLU 25 N -4.48 3.67 -4.11 0.00 -0.00 -1.26 -4.59 120.64 109.86 1x9a n GLU 25 Ca 0.10 -4.70 -0.11 0.00 -0.00 0.00 0.00 57.16 52.45 1x9a n GLU 25 Cb 0.29 -2.35 -0.10 0.00 -0.00 0.00 0.00 31.44 29.28 1x9a n GLU 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1x9a s ASP 26 N -2.40 0.88 -0.08 -1.84 -1.08 -1.11 -4.22 116.67 106.81 1x9a s ASP 26 Ca 0.40 -0.84 0.04 0.00 -0.52 0.00 0.00 52.55 51.63 1x9a s ASP 26 Cb 0.17 0.10 -0.00 0.00 -1.46 0.00 0.00 42.92 41.72 1x9a s ASP 26 CO -0.04 -0.40 -0.23 -0.54 0.52 0.00 0.00 175.17 174.48 1x9a s LYS 27 N -3.05 2.77 -0.15 4.34 -0.14 -0.77 -1.43 119.74 121.30 1x9a s LYS 27 Ca 0.03 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 1x9a s LYS 27 Cb 0.00 -2.16 0.02 0.00 -1.68 0.00 0.00 37.83 34.02 1x9a s LYS 27 CO -0.04 0.22 -0.14 0.42 -0.76 0.00 0.00 175.35 175.05 1x9a s ILE 28 N 0.24 1.59 -0.21 2.17 1.09 -0.47 0.10 121.20 125.71 1x9a s ILE 28 Ca -0.14 -0.68 -0.04 0.00 -1.10 0.00 0.00 60.65 58.69 1x9a s ILE 28 Cb -0.17 -1.51 -0.01 0.00 -1.06 0.00 0.00 42.46 39.71 1x9a s ILE 28 CO 0.07 0.43 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.61 1x9a s VAL 29 N 1.47 3.43 -0.20 2.92 1.01 -0.94 0.12 120.40 128.21 1x9a s VAL 29 Ca 0.04 -0.48 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 1x9a s VAL 29 Cb -0.13 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1x9a s VAL 29 CO -0.11 0.43 0.53 -0.76 0.00 0.00 0.00 175.10 175.19 1x9a s LEU 30 N 1.35 4.15 0.00 3.92 2.01 0.34 -2.32 118.68 128.13 1x9a s LEU 30 Ca 0.04 0.70 0.04 0.00 0.01 0.00 0.00 54.13 54.92 1x9a s LEU 30 Cb -0.14 -2.73 -0.01 0.00 0.01 0.00 0.00 46.19 43.31 1x9a s LEU 30 CO -0.02 -0.19 -0.12 -0.51 1.01 0.00 0.00 176.35 176.53 1x9a s ILE 31 N 1.63 0.94 0.00 -0.59 1.10 -0.87 -1.55 121.20 121.85 1x9a s ILE 31 Ca 0.25 -0.60 0.00 0.00 -0.51 0.00 0.00 60.65 59.79 1x9a s ILE 31 Cb -0.15 -0.80 0.00 0.00 0.15 0.00 0.00 42.46 41.65 1x9a s ILE 31 CO 0.10 0.19 0.00 0.00 -2.11 0.00 0.00 174.94 173.12 1x9a n GLN 32 N 2.60 0.00 0.11 3.50 6.02 -1.26 -1.22 117.38 127.13 1x9a n GLN 32 Ca -0.15 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 56.96 1x9a n GLN 32 Cb 0.56 0.00 0.47 0.00 1.02 0.00 0.00 30.24 32.28 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 9.99 0.62 0.20 1.08 4.13 -1.26 -2.50 115.26 127.52 1x9a n ASN 33 Ca 0.00 0.64 0.14 0.00 1.68 0.00 0.00 54.58 57.04 1x9a n ASN 33 Cb 0.00 -0.77 0.67 0.00 -1.54 0.00 0.00 39.78 38.14 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 2.68 0.00 1.68 7.41 0.00 -1.09 -2.78 103.07 110.96 1x9a h GLY 34 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 1x9a h GLY 34 CO 0.00 0.00 0.13 -0.39 0.00 0.00 0.00 176.54 176.28 1x9a h VAL 35 N 0.00 0.60 -0.30 4.60 -1.51 -1.72 -0.58 116.25 117.34 1x9a h VAL 35 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.41 1x9a h VAL 35 Cb 0.22 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 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 0.51 0.00 5.19 0.04 -1.76 -1.80 116.94 119.11 1x9a h PHE 36 Ca 0.06 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1x9a h PHE 36 Cb 0.31 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1x9a h PHE 36 CO 0.00 0.55 -0.37 -1.49 -0.60 0.00 0.00 178.31 176.40 1x9a h TRP 37 N 0.46 0.00 0.00 -0.55 4.06 -1.32 -2.81 115.95 115.78 1x9a h TRP 37 Ca 0.09 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.04 1x9a h TRP 37 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 1x9a h TRP 37 CO 0.01 0.37 0.00 0.00 -3.56 0.00 0.00 178.44 175.27 1x9a h ALA 38 N 1.63 1.00 -0.10 1.49 0.00 -1.22 -2.30 119.26 119.75 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 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1x9a h ALA 38 CO 0.05 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1x9a n LEU 39 N -2.43 2.89 -4.91 0.00 4.77 -1.06 -0.72 117.00 115.54 1x9a n LEU 39 Ca 0.02 -1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 54.57 1x9a n LEU 39 Cb 0.29 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1x9a n LEU 39 CO 0.23 0.53 -0.09 -0.70 -1.33 0.00 0.00 177.39 176.03 1x9a s GLU 40 N -1.68 3.50 -0.00 3.23 2.12 -0.87 -4.79 118.70 120.21 1x9a s GLU 40 Ca 0.27 -0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.28 1x9a s GLU 40 Cb 0.18 -2.99 0.01 0.00 0.26 0.00 0.00 34.13 31.59 1x9a s GLU 40 CO 0.27 0.57 0.67 -1.91 -0.54 0.00 0.00 175.26 174.32 1x9a n GLU 41 N 0.29 1.02 -1.75 4.30 4.07 -1.26 -4.72 120.64 122.59 1x9a n GLU 41 Ca -0.05 -0.02 -0.39 0.00 -0.06 0.00 0.00 57.16 56.64 1x9a n GLU 41 Cb 0.51 -1.35 0.03 0.00 -0.06 0.00 0.00 31.44 30.58 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 0.16 5.28 -4.34 4.31 -0.00 -1.26 -4.99 117.00 116.16 1x9a n LEU 42 Ca 0.00 1.05 -0.34 0.00 -0.00 0.00 0.00 56.01 56.72 1x9a n LEU 42 Cb 0.34 -1.59 -0.14 0.00 -0.00 0.00 0.00 43.42 42.03 1x9a n LEU 42 CO 0.00 -0.40 -0.40 -1.83 -0.00 0.00 0.00 177.39 174.76 1x9a s GLU 43 N -2.66 3.39 -0.01 1.47 -1.05 -1.26 -5.09 118.70 113.49 1x9a s GLU 43 Ca 0.67 -0.64 0.01 0.00 -0.15 0.00 0.00 54.97 54.86 1x9a s GLU 43 Cb -0.43 -2.89 0.01 0.00 -0.44 0.00 0.00 34.13 30.37 1x9a s GLU 43 CO 0.53 -0.05 -0.03 -0.08 0.95 0.00 0.00 175.26 176.58 1x9a s THR 44 N 1.08 0.29 -2.02 1.83 -1.32 -1.26 -4.73 115.64 109.50 1x9a s THR 44 Ca 0.01 -0.10 0.16 0.00 -1.21 0.00 0.00 61.69 60.55 1x9a s THR 44 Cb -0.15 -0.28 0.45 0.00 -1.51 0.00 0.00 72.50 71.02 1x9a s THR 44 CO -0.01 0.11 1.61 -0.81 -2.21 0.00 0.00 174.62 173.30 1x9a n PRO 45 N 3.31 1.07 -2.38 7.08 -0.04 -1.26 -4.86 135.00 137.92 1x9a n PRO 45 Ca -0.17 -0.11 -0.15 0.00 -0.04 0.00 0.00 63.50 63.03 1x9a n PRO 45 Cb 0.56 -1.26 0.06 0.00 -0.04 0.00 0.00 33.50 32.82 1x9a n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9a n ALA 46 N -0.65 0.71 -2.88 0.55 0.00 -1.17 -4.00 120.51 113.07 1x9a n ALA 46 Ca 0.12 -1.56 -0.44 0.00 0.00 0.00 0.00 53.44 51.57 1x9a n ALA 46 Cb 0.08 0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 1x9a n ALA 46 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x9a s LYS 47 N -4.12 3.10 -0.22 0.00 -0.14 -0.52 -4.99 119.74 112.85 1x9a s LYS 47 Ca 0.47 -1.02 -0.11 0.00 -1.36 0.00 0.00 55.97 53.96 1x9a s LYS 47 Cb -0.03 -4.16 -0.05 0.00 -1.68 0.00 0.00 37.83 31.91 1x9a s LYS 47 CO 0.30 -1.35 0.16 0.54 -0.76 0.00 0.00 175.35 174.25 1x9a s VAL 48 N 2.71 5.38 0.21 3.17 0.11 -1.26 -1.37 120.40 129.34 1x9a s VAL 48 Ca 0.14 0.22 0.10 0.00 -2.93 0.00 0.00 61.98 59.51 1x9a s VAL 48 Cb -0.21 -3.50 -0.05 0.00 -1.53 0.00 0.00 36.38 31.10 1x9a s VAL 48 CO 0.10 0.39 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.77 1x9a s TYR 49 N 0.70 1.99 -0.01 1.54 2.02 0.12 -3.96 117.35 119.75 1x9a s TYR 49 Ca 0.08 -0.44 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 1x9a s TYR 49 Cb -0.12 -0.94 -0.00 0.00 -0.40 0.00 0.00 41.96 40.50 1x9a s TYR 49 CO 0.01 0.47 -0.08 0.00 -1.57 0.00 0.00 175.55 174.38 1x9a s ALA 50 N -2.34 0.72 -0.17 3.71 0.00 -0.85 -0.51 121.76 122.32 1x9a s ALA 50 Ca 0.22 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 1x9a s ALA 50 Cb -0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1x9a s ALA 50 CO 0.09 0.15 1.98 0.42 0.00 0.00 0.00 175.76 178.41 1x9a s ILE 51 N -0.03 3.21 0.10 0.00 -1.09 -0.60 -1.33 121.20 121.46 1x9a s ILE 51 Ca 0.01 0.23 -0.13 0.00 -2.23 0.00 0.00 60.65 58.53 1x9a s ILE 51 Cb -0.05 -3.23 -0.12 0.00 -1.58 0.00 0.00 42.46 37.48 1x9a s ILE 51 CO -0.00 -0.11 1.36 0.50 -1.23 0.00 0.00 174.94 175.45 1x9a h LYS 52 N 12.83 0.78 -0.45 2.79 3.64 -0.08 -1.56 116.57 134.52 1x9a h LYS 52 Ca -0.41 -0.53 0.08 0.00 -1.27 0.00 0.00 60.65 58.53 1x9a h LYS 52 Cb 1.21 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.04 1x9a h LYS 52 CO 0.97 1.16 0.03 -0.44 -2.27 0.00 0.00 179.45 178.90 1x9a h ASP 53 N 0.52 -0.13 -0.03 4.20 5.19 -1.90 0.20 116.42 124.49 1x9a h ASP 53 Ca -0.00 0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.32 1x9a h ASP 53 Cb 1.16 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 1x9a h ASP 53 CO 0.12 -0.03 -0.62 -0.78 -3.12 0.00 0.00 179.24 174.81 1x9a h ASP 54 N 0.14 0.72 -0.38 6.45 1.82 -1.93 -2.43 116.42 120.82 1x9a h ASP 54 Ca 0.22 -0.42 -0.04 0.00 -0.39 0.00 0.00 57.03 56.40 1x9a h ASP 54 Cb 0.32 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1x9a h ASP 54 CO -0.35 1.17 0.06 0.15 -1.61 0.00 0.00 179.24 178.66 1x9a h PHE 55 N 0.47 0.66 -0.01 0.28 3.57 -0.34 -1.93 116.94 119.64 1x9a h PHE 55 Ca -0.01 -0.09 -0.15 0.00 3.53 0.00 0.00 57.97 61.25 1x9a h PHE 55 Cb 1.19 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1x9a h PHE 55 CO 0.06 0.67 -0.69 -0.07 -2.23 0.00 0.00 178.31 176.05 1x9a h LEU 56 N 0.46 0.07 -1.34 0.59 -0.00 -0.68 -2.79 115.31 111.63 1x9a h LEU 56 Ca 0.11 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.89 1x9a h LEU 56 Cb 0.36 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1x9a h LEU 56 CO 0.01 0.73 -0.17 0.00 -0.00 0.00 0.00 178.44 179.01 1x9a h ALA 57 N 1.26 1.45 0.00 1.53 0.00 -1.08 -1.86 119.26 120.57 1x9a h ALA 57 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1x9a h ALA 57 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1x9a h ALA 57 CO 0.09 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.27 1x9a n ARG 58 N -4.24 0.39 -1.38 0.00 3.00 -0.76 -4.91 116.66 108.76 1x9a n ARG 58 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1x9a n ARG 58 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.26 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 1.28 0.46 3.29 -0.13 0.00 -0.70 -5.10 105.19 104.29 1x9a n GLY 59 Ca 0.13 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.38 1.43 0.09 1.61 2.02 -1.14 -5.04 117.35 113.94 1x9a s TYR 60 Ca 0.00 -0.73 0.05 0.00 -0.37 0.00 0.00 57.07 56.02 1x9a s TYR 60 Cb 0.00 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1x9a s TYR 60 CO 0.00 0.15 -0.01 -1.12 -1.57 0.00 0.00 175.55 173.00 1x9a s SER 61 N -3.23 4.98 0.21 2.29 0.01 -1.26 -4.41 113.70 112.29 1x9a s SER 61 Ca 0.20 -0.18 -0.09 0.00 1.31 0.00 0.00 55.95 57.18 1x9a s SER 61 Cb 0.02 -1.18 0.16 0.00 0.21 0.00 0.00 66.02 65.23 1x9a s SER 61 CO 0.03 0.18 1.85 -0.33 0.41 0.00 0.00 173.24 175.38 1x9a h GLU 62 N 3.51 1.07 0.00 12.44 5.08 -1.98 -1.86 114.58 132.84 1x9a h GLU 62 Ca -0.48 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1x9a h GLU 62 Cb 1.17 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1x9a h GLU 62 CO 0.59 0.77 -0.14 1.49 -1.00 0.00 0.00 179.01 180.71 1x9a h GLU 63 N 1.07 0.00 0.00 2.33 4.57 -1.95 -1.90 114.58 118.70 1x9a h GLU 63 Ca 0.28 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1x9a h GLU 63 Cb -0.02 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1x9a h GLU 63 CO -0.05 0.14 -0.09 0.22 -1.18 0.00 0.00 179.01 178.05 1x9a h ASP 64 N 0.00 0.00 -4.20 1.04 3.58 -1.75 -3.44 116.42 111.65 1x9a h ASP 64 Ca -0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1x9a h ASP 64 Cb 0.34 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.44 1x9a h ASP 64 CO 0.02 0.09 0.35 -0.44 -2.88 0.00 0.00 179.24 176.38 1x9a s SER 65 N -5.90 6.07 0.02 2.28 0.01 -0.72 -4.81 113.70 110.65 1x9a s SER 65 Ca 0.00 1.25 0.20 0.00 1.31 0.00 0.00 55.95 58.71 1x9a s SER 65 Cb 0.10 -2.30 -0.18 0.00 0.21 0.00 0.00 66.02 63.84 1x9a s SER 65 CO 0.58 -0.91 0.65 1.17 0.41 0.00 0.00 173.24 175.14 1x9a n LYS 66 N -2.70 0.64 -4.07 12.44 4.81 0.10 -4.98 118.16 124.41 1x9a n LYS 66 Ca 0.05 0.05 -0.23 0.00 -0.87 0.00 0.00 58.31 57.31 1x9a n LYS 66 Cb 0.55 -1.69 -0.04 0.00 0.02 0.00 0.00 35.03 33.87 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 -3.10 4.67 0.14 3.15 -7.23 -1.24 -5.08 120.40 111.71 1x9a s VAL 67 Ca -0.05 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 58.61 1x9a s VAL 67 Cb 0.10 -3.49 -0.08 0.00 0.56 0.00 0.00 36.38 33.47 1x9a s VAL 67 CO 0.84 -0.27 1.31 -2.84 -0.31 0.00 0.00 175.10 173.82 1x9a s PRO 68 N -3.66 4.38 -0.13 4.82 0.02 -1.25 -4.88 135.00 134.29 1x9a s PRO 68 Ca 0.33 1.99 -0.17 0.00 0.02 0.00 0.00 61.00 63.17 1x9a s PRO 68 Cb -0.09 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 31.14 1x9a s PRO 68 CO 0.26 -0.30 0.42 -0.51 -0.33 0.00 0.00 177.00 176.53 1x9a s LEU 69 N 0.53 4.27 0.20 -5.54 2.01 -1.26 -2.00 118.68 116.89 1x9a s LEU 69 Ca 0.60 0.71 0.11 0.00 0.01 0.00 0.00 54.13 55.56 1x9a s LEU 69 Cb -0.35 -2.59 -0.04 0.00 0.01 0.00 0.00 46.19 43.22 1x9a s LEU 69 CO 0.33 0.03 -0.22 0.27 1.01 0.00 0.00 176.35 177.78 1x9a s ILE 70 N 0.57 2.47 0.47 -0.59 -0.00 -0.44 -4.85 121.20 118.83 1x9a s ILE 70 Ca 0.23 -2.04 0.07 0.00 -0.00 0.00 0.00 60.65 58.91 1x9a s ILE 70 Cb -0.14 -2.20 0.03 0.00 -0.00 0.00 0.00 42.46 40.14 1x9a s ILE 70 CO 0.08 -0.15 0.64 0.42 -0.00 0.00 0.00 174.94 175.93 1x9a s THR 71 N -1.78 2.81 0.32 8.37 -4.23 -1.26 0.68 115.64 120.54 1x9a s THR 71 Ca 0.22 -0.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.89 1x9a s THR 71 Cb -0.08 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.21 1x9a s THR 71 CO 0.11 0.00 1.71 0.10 -0.54 0.00 0.00 174.62 176.00 1x9a h TYR 72 N 0.47 0.93 -0.23 3.99 -0.00 -1.98 0.12 116.97 120.27 1x9a h TYR 72 Ca -0.39 0.04 -0.11 0.00 -0.00 0.00 0.00 58.73 58.27 1x9a h TYR 72 Cb 1.28 -0.26 -0.00 0.00 -0.00 0.00 0.00 36.73 37.76 1x9a h TYR 72 CO 0.39 -0.02 -0.28 1.03 -0.00 0.00 0.00 178.16 179.27 1x9a h SER 73 N 0.48 0.65 0.48 0.10 0.87 -2.00 -2.69 113.55 111.44 1x9a h SER 73 Ca 0.66 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1x9a h SER 73 Cb 1.32 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1x9a h SER 73 CO -0.52 1.01 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.36 1x9a h GLU 74 N 0.29 0.00 -0.26 2.24 5.08 -1.34 0.38 114.58 120.97 1x9a h GLU 74 Ca 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1x9a h GLU 74 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1x9a h GLU 74 CO 0.07 0.10 -0.03 0.35 -1.00 0.00 0.00 179.01 178.50 1x9a h PHE 75 N 0.00 0.54 -0.24 4.33 3.04 -0.67 0.80 116.94 124.74 1x9a h PHE 75 Ca -0.00 -0.10 0.04 0.00 3.98 0.00 0.00 57.97 61.88 1x9a h PHE 75 Cb 0.38 -0.14 -0.04 0.00 2.56 0.00 0.00 35.95 38.71 1x9a h PHE 75 CO 0.00 0.67 0.01 0.82 -2.02 0.00 0.00 178.31 177.79 1x9a h ILE 76 N 0.25 0.85 -0.35 1.41 5.03 -0.74 -2.37 117.51 121.59 1x9a h ILE 76 Ca 0.07 -0.03 -0.04 0.00 -0.12 0.00 0.00 64.86 64.74 1x9a h ILE 76 Cb 0.47 0.75 -0.02 0.00 -3.03 0.00 0.00 36.82 35.00 1x9a h ILE 76 CO 0.02 0.02 0.03 0.44 -0.68 0.00 0.00 178.15 177.98 1x9a h ASP 77 N 0.09 0.48 -0.67 1.72 5.19 -0.90 -1.94 116.42 120.39 1x9a h ASP 77 Ca 0.11 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1x9a h ASP 77 Cb 0.13 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.48 1x9a h ASP 77 CO -0.17 0.53 0.40 0.17 -3.12 0.00 0.00 179.24 177.05 1x9a h LEU 78 N 0.51 0.81 -0.38 1.55 8.10 -0.44 -2.70 115.31 122.76 1x9a h LEU 78 Ca 0.11 -0.07 -0.01 0.00 0.11 0.00 0.00 57.88 58.03 1x9a h LEU 78 Cb 0.28 -0.21 -0.00 0.00 -0.44 0.00 0.00 40.66 40.29 1x9a h LEU 78 CO 0.00 0.64 -0.05 0.25 -4.11 0.00 0.00 178.44 175.17 1x9a h LEU 79 N 0.92 0.00 0.37 0.17 5.85 -0.86 -2.93 115.31 118.83 1x9a h LEU 79 Ca 0.24 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1x9a h LEU 79 Cb -0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1x9a h LEU 79 CO -0.04 0.05 -0.18 -0.08 -0.34 0.00 0.00 178.44 177.85 1x9a h GLU 80 N 0.00 -0.48 0.00 1.25 4.22 -1.32 -3.50 114.58 114.76 1x9a h GLU 80 Ca -0.00 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1x9a h GLU 80 Cb 0.91 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1x9a h GLU 80 CO 0.01 -0.21 0.00 0.41 -2.18 0.00 0.00 179.01 177.04 1x9a n GLY 81 N 0.24 1.77 0.00 1.92 0.00 -1.03 -4.89 105.19 103.20 1x9a n GLY 81 Ca -0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.24 1.61 2.13 -1.26 -4.85 120.64 118.03 1x9a n GLU 82 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 1x9a n GLU 82 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 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 0.93 0.00 5.31 4.81 -1.97 -3.46 114.58 120.20 1x9a h GLU 83 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1x9a h GLU 83 Cb 0.00 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1x9a h GLU 83 CO 0.00 0.68 0.00 1.63 -0.73 0.00 0.00 179.01 180.59 1x9a n LYS 84 N -4.54 0.00 -1.96 1.92 5.02 -1.26 -4.82 118.16 112.52 1x9a n LYS 84 Ca 0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.16 1x9a n LYS 84 Cb 0.07 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.04 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 3.05 -0.61 0.46 2.13 7.35 -1.26 -4.84 117.46 123.74 1x9a n PHE 85 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 1x9a n PHE 85 Cb 0.00 -3.40 0.47 0.00 0.35 0.00 0.00 39.48 36.90 1x9a n PHE 85 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 1x9a n ILE 86 N -3.00 0.76 -1.31 -2.13 0.13 -1.26 -5.29 119.36 107.26 1x9a n ILE 86 Ca -0.20 0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 1x9a n ILE 86 Cb 0.63 -1.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.43 1x9a n ILE 86 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96