#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 -2.98 -5.12 0.00 -1.26 -4.79 120.51 106.36 1x9a n ALA 2 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1x9a n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 5.74 -0.26 0.00 2.96 -1.26 -0.20 118.68 123.37 1x9a s LEU 3 Ca 0.00 -1.43 -0.05 0.00 -0.22 0.00 0.00 54.13 52.43 1x9a s LEU 3 Cb 0.00 -2.20 -0.00 0.00 0.50 0.00 0.00 46.19 44.48 1x9a s LEU 3 CO 0.00 -0.72 0.03 -0.69 -1.32 0.00 0.00 176.35 173.65 1x9a s VAL 4 N 1.70 3.74 -0.11 1.68 1.01 0.82 -4.99 120.40 124.26 1x9a s VAL 4 Ca 0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.44 1x9a s VAL 4 Cb -0.25 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1x9a s VAL 4 CO 0.06 0.24 -0.03 -0.76 0.00 0.00 0.00 175.10 174.61 1x9a s LEU 5 N 1.50 3.35 -0.19 3.92 1.43 -1.26 -0.33 118.68 127.09 1x9a s LEU 5 Ca 0.04 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1x9a s LEU 5 Cb -0.16 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1x9a s LEU 5 CO 0.00 0.29 -0.16 -0.69 0.23 0.00 0.00 176.35 176.02 1x9a s VAL 6 N -0.38 2.35 -0.48 -1.59 1.01 -0.31 -4.92 120.40 116.07 1x9a s VAL 6 Ca 0.06 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1x9a s VAL 6 Cb -0.12 -2.02 0.35 0.00 0.00 0.00 0.00 36.38 34.59 1x9a s VAL 6 CO 0.02 0.50 0.87 0.29 0.00 0.00 0.00 175.10 176.78 1x9a n LYS 7 N 4.65 2.28 -3.53 2.72 5.02 -1.26 -2.51 118.16 125.53 1x9a n LYS 7 Ca -0.20 -4.21 -0.16 0.00 -2.02 0.00 0.00 58.31 51.72 1x9a n LYS 7 Cb 0.50 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 1x9a n LYS 7 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1x9a s TYR 8 N -3.05 -0.57 0.00 2.13 2.02 -1.26 -4.56 117.35 112.05 1x9a s TYR 8 Ca 0.45 0.97 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 1x9a s TYR 8 Cb 0.32 0.42 0.00 0.00 -0.40 0.00 0.00 41.96 42.30 1x9a s TYR 8 CO -0.11 -0.54 0.00 0.41 -1.57 0.00 0.00 175.55 173.74 1x9a n GLY 9 N 0.83 -0.53 0.44 0.71 0.00 -1.17 -3.03 105.19 102.45 1x9a n GLY 9 Ca -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.02 0.00 -0.07 2.61 -2.24 -1.26 -2.87 114.28 109.43 1x9a n THR 10 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1x9a n THR 10 Cb 0.00 -0.40 -0.15 0.00 -2.10 0.00 0.00 70.33 67.68 1x9a n THR 10 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x9a n ASP 11 N -0.01 0.30 -4.49 3.42 2.03 -1.26 -4.86 116.55 111.68 1x9a n ASP 11 Ca 0.00 0.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.03 1x9a n ASP 11 Cb 0.20 0.65 -0.09 0.00 -0.72 0.00 0.00 41.12 41.16 1x9a n ASP 11 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1x9a s HIS 12 N -2.55 3.19 0.22 -0.67 2.46 -1.14 -4.96 115.29 111.84 1x9a s HIS 12 Ca -0.08 -0.33 -0.02 0.00 0.47 0.00 0.00 55.06 55.10 1x9a s HIS 12 Cb 0.07 -2.79 0.20 0.00 -0.13 0.00 0.00 32.58 29.94 1x9a s HIS 12 CO 0.83 -0.62 1.58 -1.35 -2.47 0.00 0.00 174.74 172.72 1x9a h PRO 13 N 8.65 0.56 -0.40 2.88 0.11 -1.89 -3.22 132.00 138.69 1x9a h PRO 13 Ca -0.27 -0.29 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1x9a h PRO 13 Cb 1.12 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1x9a h PRO 13 CO 0.76 0.88 0.24 -0.24 -0.21 0.00 0.00 178.00 179.43 1x9a h VAL 14 N 0.46 1.11 -0.29 3.15 3.04 -1.99 0.53 116.25 122.26 1x9a h VAL 14 Ca 0.04 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.45 1x9a h VAL 14 Cb 0.92 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1x9a h VAL 14 CO 0.08 0.12 0.04 -0.33 -1.01 0.00 0.00 177.57 176.46 1x9a h GLU 15 N 0.55 0.43 0.01 4.17 3.07 -1.96 -2.66 114.58 118.19 1x9a h GLU 15 Ca 0.15 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1x9a h GLU 15 Cb -0.03 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1x9a h GLU 15 CO -0.03 0.43 -0.01 -0.22 -1.40 0.00 0.00 179.01 177.79 1x9a h LYS 16 N 0.42 -0.02 0.00 2.33 3.64 -1.02 -2.58 116.57 119.35 1x9a h LYS 16 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1x9a h LYS 16 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1x9a h LYS 16 CO 0.00 0.53 0.00 1.37 -2.27 0.00 0.00 179.45 179.08 1x9a h LEU 17 N -0.58 0.00 -0.70 5.20 -0.00 -1.55 -2.05 115.31 115.64 1x9a h LEU 17 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 1x9a h LEU 17 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.19 1x9a h LEU 17 CO 0.00 0.00 0.17 0.11 -0.00 0.00 0.00 178.44 178.73 1x9a h LYS 18 N 0.00 1.11 -0.92 0.17 1.57 -1.42 -1.33 116.57 115.74 1x9a h LYS 18 Ca 0.00 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1x9a h LYS 18 Cb 0.73 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 1x9a h LYS 18 CO 0.00 0.98 0.55 0.82 -0.57 0.00 0.00 179.45 181.23 1x9a h ILE 19 N 1.04 1.25 0.00 1.86 2.04 -0.97 -2.18 117.51 120.56 1x9a h ILE 19 Ca 0.22 -0.56 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 1x9a h ILE 19 Cb 0.37 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1x9a h ILE 19 CO 0.00 0.27 -0.29 0.03 0.00 0.00 0.00 178.15 178.16 1x9a h ARG 20 N 1.27 0.00 -0.01 2.37 3.08 -1.02 -2.86 114.38 117.22 1x9a h ARG 20 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1x9a h ARG 20 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1x9a h ARG 20 CO -0.06 0.29 -0.24 0.43 -1.07 0.00 0.00 179.97 179.32 1x9a n SER 21 N -4.09 1.31 -4.78 7.04 7.64 -0.54 -4.88 113.62 115.32 1x9a n SER 21 Ca -0.02 -1.12 -0.34 0.00 1.01 0.00 0.00 58.87 58.40 1x9a n SER 21 Cb 0.34 0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.40 2.74 0.46 -0.43 0.00 -0.98 -5.00 121.76 116.14 1x9a s ALA 22 Ca 0.26 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.93 1x9a s ALA 22 Cb 0.19 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 20.02 1x9a s ALA 22 CO 0.49 -0.68 0.65 0.15 0.00 0.00 0.00 175.76 176.37 1x9a s LYS 23 N -3.45 2.81 0.52 0.00 -0.14 -1.26 -4.32 119.74 113.90 1x9a s LYS 23 Ca 0.69 -0.91 0.27 0.00 -1.36 0.00 0.00 55.97 54.66 1x9a s LYS 23 Cb -0.20 -2.64 1.46 0.00 -1.68 0.00 0.00 37.83 34.77 1x9a s LYS 23 CO 0.27 -0.38 2.08 0.00 -0.76 0.00 0.00 175.35 176.56 1x9a h ALA 24 N 0.43 1.31 0.00 5.17 0.00 -1.93 -0.93 119.26 123.31 1x9a h ALA 24 Ca -0.43 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1x9a h ALA 24 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1x9a h ALA 24 CO 0.51 0.14 -0.22 0.93 0.00 0.00 0.00 179.25 180.61 1x9a h GLU 25 N 0.00 0.00 -7.31 0.00 5.08 -1.94 -3.33 114.58 107.09 1x9a h GLU 25 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1x9a h GLU 25 Cb 0.32 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.69 1x9a h GLU 25 CO 0.01 0.22 0.33 -0.51 -1.00 0.00 0.00 179.01 178.06 1x9a s ASP 26 N -6.26 4.70 -0.08 1.42 1.01 -0.36 -4.84 116.67 112.27 1x9a s ASP 26 Ca 0.04 1.81 0.05 0.00 0.71 0.00 0.00 52.55 55.16 1x9a s ASP 26 Cb 0.07 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.48 1x9a s ASP 26 CO 0.68 -1.90 -0.24 -0.54 0.21 0.00 0.00 175.17 173.38 1x9a s LYS 27 N -4.84 2.74 -0.20 8.23 -0.14 0.71 -1.44 119.74 124.80 1x9a s LYS 27 Ca 0.61 -0.87 -0.00 0.00 -1.36 0.00 0.00 55.97 54.35 1x9a s LYS 27 Cb -0.17 -2.18 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 1x9a s LYS 27 CO 0.54 0.27 -0.15 0.42 -0.76 0.00 0.00 175.35 175.67 1x9a s ILE 28 N 0.11 2.43 -0.27 2.17 1.01 -0.04 -0.12 121.20 126.48 1x9a s ILE 28 Ca -0.11 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.57 1x9a s ILE 28 Cb -0.16 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1x9a s ILE 28 CO 0.06 0.46 0.10 -0.69 0.00 0.00 0.00 174.94 174.87 1x9a s VAL 29 N 1.33 4.44 -0.35 2.92 1.01 0.55 -0.09 120.40 130.21 1x9a s VAL 29 Ca 0.04 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1x9a s VAL 29 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1x9a s VAL 29 CO -0.10 0.24 0.66 -0.76 0.00 0.00 0.00 175.10 175.14 1x9a s LEU 30 N 1.62 4.22 0.02 3.92 2.01 -0.10 -1.16 118.68 129.21 1x9a s LEU 30 Ca 0.06 0.23 -0.10 0.00 0.01 0.00 0.00 54.13 54.32 1x9a s LEU 30 Cb -0.16 -2.83 0.01 0.00 0.01 0.00 0.00 46.19 43.22 1x9a s LEU 30 CO 0.05 -0.60 0.21 -0.51 1.01 0.00 0.00 176.35 176.50 1x9a s ILE 31 N 2.76 0.09 0.00 -0.59 1.10 -1.05 -2.29 121.20 121.23 1x9a s ILE 31 Ca 0.26 -0.78 0.00 0.00 -0.51 0.00 0.00 60.65 59.61 1x9a s ILE 31 Cb -0.14 -0.77 0.00 0.00 0.15 0.00 0.00 42.46 41.69 1x9a s ILE 31 CO 0.15 -0.43 0.00 0.00 -2.11 0.00 0.00 174.94 172.55 1x9a n GLN 32 N 0.92 0.00 0.02 3.50 6.02 -1.26 -1.10 117.38 125.48 1x9a n GLN 32 Ca -0.20 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 56.86 1x9a n GLN 32 Cb 0.58 0.00 0.32 0.00 1.02 0.00 0.00 30.24 32.16 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 4.82 0.12 0.25 1.08 3.02 -1.26 -2.59 115.26 120.70 1x9a n ASN 33 Ca 0.00 0.53 0.17 0.00 -0.03 0.00 0.00 54.58 55.25 1x9a n ASN 33 Cb 0.00 -0.56 0.75 0.00 -0.61 0.00 0.00 39.78 39.36 1x9a n ASN 33 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1x9a h GLY 34 N 2.22 0.00 2.00 7.41 0.00 -1.02 -2.73 103.07 110.95 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 -1.39 116.25 116.30 1x9a h VAL 35 Ca 0.00 -0.14 -0.03 0.00 -1.23 0.00 0.00 66.70 65.30 1x9a h VAL 35 Cb 0.34 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 1x9a h VAL 35 CO 0.00 0.00 -0.15 -0.26 -1.23 0.00 0.00 177.57 175.93 1x9a h PHE 36 N 0.00 0.00 0.00 5.19 -1.00 -1.75 -2.34 116.94 117.04 1x9a h PHE 36 Ca 0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1x9a h PHE 36 Cb 0.16 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.72 1x9a h PHE 36 CO 0.00 0.15 -0.10 -1.49 -1.61 0.00 0.00 178.31 175.26 1x9a h TRP 37 N 0.00 0.00 0.00 -0.55 4.06 -1.48 -3.15 115.95 114.82 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 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1x9a h TRP 37 CO 0.00 0.10 0.00 0.00 -3.56 0.00 0.00 178.44 174.98 1x9a n ALA 38 N -2.13 1.45 0.12 1.49 0.00 -0.88 -1.51 120.51 119.05 1x9a n ALA 38 Ca 0.03 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.55 1x9a n ALA 38 Cb 0.55 -1.22 0.13 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.71 2.66 -4.74 0.00 4.77 -1.19 -1.18 117.00 115.60 1x9a n LEU 39 Ca 0.02 -1.57 -0.23 0.00 -0.03 0.00 0.00 56.01 54.21 1x9a n LEU 39 Cb 0.13 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1x9a n LEU 39 CO 0.11 0.61 -0.21 -0.70 -1.33 0.00 0.00 177.39 175.87 1x9a s GLU 40 N -1.04 2.48 0.00 3.23 2.12 -0.57 -4.88 118.70 120.05 1x9a s GLU 40 Ca 0.22 -1.41 -0.02 0.00 0.36 0.00 0.00 54.97 54.12 1x9a s GLU 40 Cb 0.13 -2.27 -0.01 0.00 0.26 0.00 0.00 34.13 32.24 1x9a s GLU 40 CO 0.18 0.21 1.03 1.49 -0.54 0.00 0.00 175.26 177.63 1x9a h GLU 41 N 1.58 -0.07 -4.62 4.30 4.57 -1.94 -3.47 114.58 114.93 1x9a h GLU 41 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1x9a h GLU 41 Cb 1.25 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1x9a h GLU 41 CO 0.61 -0.04 -0.50 1.47 -1.18 0.00 0.00 179.01 179.37 1x9a n LEU 42 N -2.34 -2.70 -4.53 1.64 -0.00 -1.26 -4.84 117.00 102.97 1x9a n LEU 42 Ca -0.01 0.39 -0.43 0.00 -0.00 0.00 0.00 56.01 55.96 1x9a n LEU 42 Cb 0.03 -1.09 -0.04 0.00 -0.00 0.00 0.00 43.42 42.32 1x9a n LEU 42 CO 0.02 -1.26 0.74 -1.61 -0.00 0.00 0.00 177.39 175.28 1x9a s GLU 43 N -0.50 3.36 0.03 1.47 0.41 -1.26 -5.00 118.70 117.21 1x9a s GLU 43 Ca 0.00 -0.20 0.04 0.00 -0.41 0.00 0.00 54.97 54.40 1x9a s GLU 43 Cb 0.00 -4.03 -0.02 0.00 -1.78 0.00 0.00 34.13 28.30 1x9a s GLU 43 CO 0.00 -1.43 -0.12 -0.08 -0.49 0.00 0.00 175.26 173.14 1x9a s THR 44 N 3.89 0.92 -1.26 3.63 -1.32 -1.26 -4.83 115.64 115.40 1x9a s THR 44 Ca 0.31 -0.93 0.29 0.00 -1.21 0.00 0.00 61.69 60.16 1x9a s THR 44 Cb -0.12 -0.85 0.41 0.00 -1.51 0.00 0.00 72.50 70.42 1x9a s THR 44 CO 0.20 -0.06 1.98 -0.81 -2.21 0.00 0.00 174.62 173.72 1x9a n PRO 45 N 1.93 0.26 -1.54 7.08 -0.04 -1.26 -4.90 135.00 136.53 1x9a n PRO 45 Ca -0.18 0.01 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 1x9a n PRO 45 Cb 0.55 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.58 1x9a n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9a s ALA 46 N -2.74 2.41 -0.54 0.55 0.00 -1.22 -3.77 121.76 116.45 1x9a s ALA 46 Ca 0.22 0.38 -0.28 0.00 0.00 0.00 0.00 51.96 52.28 1x9a s ALA 46 Cb 0.19 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1x9a s ALA 46 CO 0.48 -1.46 1.13 0.15 0.00 0.00 0.00 175.76 176.05 1x9a s LYS 47 N -4.53 3.55 -0.17 0.00 -0.14 -0.52 -4.94 119.74 112.99 1x9a s LYS 47 Ca 0.63 0.26 -0.11 0.00 -1.36 0.00 0.00 55.97 55.39 1x9a s LYS 47 Cb -0.18 -3.98 -0.05 0.00 -1.68 0.00 0.00 37.83 31.94 1x9a s LYS 47 CO 0.49 -1.54 0.21 0.54 -0.76 0.00 0.00 175.35 174.28 1x9a s VAL 48 N 4.60 5.36 -0.02 3.17 0.11 -1.26 -0.86 120.40 131.50 1x9a s VAL 48 Ca 0.42 0.36 0.01 0.00 -2.93 0.00 0.00 61.98 59.85 1x9a s VAL 48 Cb -0.08 -3.54 0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1x9a s VAL 48 CO 0.27 0.44 -0.02 -0.31 -3.33 0.00 0.00 175.10 172.15 1x9a s TYR 49 N 0.22 0.36 -0.05 1.54 2.02 0.87 -4.19 117.35 118.11 1x9a s TYR 49 Ca 0.13 -0.05 0.06 0.00 -0.37 0.00 0.00 57.07 56.84 1x9a s TYR 49 Cb -0.12 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.09 1x9a s TYR 49 CO 0.02 -0.08 -0.24 0.00 -1.57 0.00 0.00 175.55 173.68 1x9a s ALA 50 N 0.50 2.06 -0.19 3.71 0.00 -1.04 -0.92 121.76 125.88 1x9a s ALA 50 Ca -0.05 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1x9a s ALA 50 Cb -0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 1x9a s ALA 50 CO -0.01 0.41 2.03 0.42 0.00 0.00 0.00 175.76 178.61 1x9a s ILE 51 N -0.18 3.17 0.18 0.00 -1.09 -0.97 -2.36 121.20 119.95 1x9a s ILE 51 Ca -0.02 0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1x9a s ILE 51 Cb -0.13 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.52 1x9a s ILE 51 CO 0.03 -0.10 1.51 0.50 -1.23 0.00 0.00 174.94 175.65 1x9a h LYS 52 N 13.36 0.72 0.01 2.79 3.64 -0.35 0.52 116.57 137.26 1x9a h LYS 52 Ca -0.41 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 1x9a h LYS 52 Cb 1.22 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1x9a h LYS 52 CO 0.97 1.03 -0.01 -0.44 -2.27 0.00 0.00 179.45 178.73 1x9a h ASP 53 N 0.58 -0.03 0.20 4.20 3.32 -1.89 -0.31 116.42 122.50 1x9a h ASP 53 Ca 0.04 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 1x9a h ASP 53 Cb 1.01 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1x9a h ASP 53 CO 0.10 -0.02 -0.69 -0.78 -1.72 0.00 0.00 179.24 176.13 1x9a h ASP 54 N -0.02 0.51 -0.10 6.45 3.58 -1.92 -1.42 116.42 123.49 1x9a h ASP 54 Ca 0.00 -0.32 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1x9a h ASP 54 Cb 0.02 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.92 1x9a h ASP 54 CO -0.01 1.05 0.05 0.15 -2.88 0.00 0.00 179.24 177.60 1x9a h PHE 55 N 0.31 0.10 -0.12 0.28 3.57 -0.72 -2.38 116.94 117.97 1x9a h PHE 55 Ca -0.02 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 1x9a h PHE 55 Cb 1.25 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1x9a h PHE 55 CO 0.04 0.06 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.70 1x9a h LEU 56 N 0.12 0.30 -1.74 0.59 3.38 -0.98 -2.72 115.31 114.25 1x9a h LEU 56 Ca 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1x9a h LEU 56 Cb -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1x9a h LEU 56 CO -0.02 0.68 0.18 0.00 0.09 0.00 0.00 178.44 179.37 1x9a h ALA 57 N 1.33 1.82 0.00 1.53 0.00 -0.89 0.25 119.26 123.30 1x9a h ALA 57 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x9a h ALA 57 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1x9a h ALA 57 CO 0.07 0.17 0.00 0.54 0.00 0.00 0.00 179.25 180.03 1x9a n ARG 58 N -4.50 0.21 -0.90 0.00 5.12 -0.93 -4.89 116.66 110.77 1x9a n ARG 58 Ca 0.01 0.38 0.00 0.00 -1.93 0.00 0.00 57.85 56.31 1x9a n ARG 58 Cb 0.07 -1.86 0.00 0.00 -1.16 0.00 0.00 32.46 29.51 1x9a n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x9a n GLY 59 N 0.25 0.76 3.84 -0.13 0.00 0.08 -5.11 105.19 104.88 1x9a n GLY 59 Ca 0.03 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.14 2.32 -0.12 1.61 2.02 -1.23 -5.06 117.35 114.75 1x9a s TYR 60 Ca 0.00 -0.64 -0.05 0.00 -0.37 0.00 0.00 57.07 56.01 1x9a s TYR 60 Cb 0.00 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1x9a s TYR 60 CO 0.00 -0.14 0.06 -1.12 -1.57 0.00 0.00 175.55 172.78 1x9a s SER 61 N -4.11 5.73 0.25 2.29 0.01 -1.26 -4.73 113.70 111.87 1x9a s SER 61 Ca 0.41 0.23 -0.05 0.00 1.31 0.00 0.00 55.95 57.85 1x9a s SER 61 Cb -0.01 -1.81 0.34 0.00 0.21 0.00 0.00 66.02 64.75 1x9a s SER 61 CO 0.24 0.33 1.86 -0.33 0.41 0.00 0.00 173.24 175.75 1x9a h GLU 62 N 5.54 1.02 0.00 12.44 5.08 -1.98 -2.36 114.58 134.31 1x9a h GLU 62 Ca -0.48 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 57.69 1x9a h GLU 62 Cb 1.20 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1x9a h GLU 62 CO 0.60 0.67 -0.60 1.49 -1.00 0.00 0.00 179.01 180.17 1x9a h GLU 63 N 1.05 0.00 0.00 2.33 4.57 -2.01 -3.29 114.58 117.23 1x9a h GLU 63 Ca 0.38 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.45 1x9a h GLU 63 Cb 0.13 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 1x9a h GLU 63 CO -0.16 0.60 -0.54 0.22 -1.18 0.00 0.00 179.01 177.95 1x9a h ASP 64 N 0.00 0.00 -3.21 1.04 3.58 -1.84 -3.44 116.42 112.55 1x9a h ASP 64 Ca -0.01 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.92 1x9a h ASP 64 Cb 1.17 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.26 1x9a h ASP 64 CO 0.08 0.54 0.77 -0.55 -2.88 0.00 0.00 179.24 177.19 1x9a s SER 65 N -6.79 6.69 0.12 2.28 0.15 -1.22 -4.89 113.70 110.04 1x9a s SER 65 Ca -0.01 2.58 -0.03 0.00 0.70 0.00 0.00 55.95 59.19 1x9a s SER 65 Cb 0.13 -2.61 -0.12 0.00 -1.71 0.00 0.00 66.02 61.71 1x9a s SER 65 CO 0.74 -0.70 1.28 0.50 1.20 0.00 0.00 173.24 176.27 1x9a h LYS 66 N 5.67 0.33 -6.64 5.44 3.64 -1.44 -3.46 116.57 120.11 1x9a h LYS 66 Ca -0.45 -0.40 -0.51 0.00 -1.27 0.00 0.00 60.65 58.03 1x9a h LYS 66 Cb 1.21 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1x9a h LYS 66 CO 0.82 1.10 -0.01 0.14 -2.27 0.00 0.00 179.45 179.23 1x9a s VAL 67 N -3.11 4.87 0.36 2.00 -7.23 -1.22 -5.03 120.40 111.04 1x9a s VAL 67 Ca -0.05 0.46 -0.28 0.00 -1.81 0.00 0.00 61.98 60.29 1x9a s VAL 67 Cb 0.09 -3.70 -0.11 0.00 0.56 0.00 0.00 36.38 33.22 1x9a s VAL 67 CO 0.86 -0.34 1.52 -2.84 -0.31 0.00 0.00 175.10 174.00 1x9a s PRO 68 N -3.46 4.10 -0.21 4.82 0.02 -1.26 -4.87 135.00 134.14 1x9a s PRO 68 Ca 0.49 2.59 -0.09 0.00 0.02 0.00 0.00 61.00 64.01 1x9a s PRO 68 Cb -0.11 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 1x9a s PRO 68 CO 0.27 -0.57 0.10 -0.51 -0.33 0.00 0.00 177.00 175.97 1x9a s LEU 69 N -1.75 3.93 0.09 -5.54 2.01 -1.26 -2.50 118.68 113.65 1x9a s LEU 69 Ca 0.55 0.08 0.07 0.00 0.01 0.00 0.00 54.13 54.84 1x9a s LEU 69 Cb -0.47 -2.02 -0.03 0.00 0.01 0.00 0.00 46.19 43.67 1x9a s LEU 69 CO 0.60 0.12 -0.17 0.27 1.01 0.00 0.00 176.35 178.18 1x9a s ILE 70 N 0.72 1.39 0.51 -0.59 -0.00 -0.99 -4.90 121.20 117.33 1x9a s ILE 70 Ca 0.05 -1.45 0.09 0.00 -0.00 0.00 0.00 60.65 59.34 1x9a s ILE 70 Cb -0.13 -1.33 0.05 0.00 -0.00 0.00 0.00 42.46 41.06 1x9a s ILE 70 CO 0.02 -0.18 0.69 0.42 -0.00 0.00 0.00 174.94 175.89 1x9a s THR 71 N -1.32 2.54 0.51 8.37 -4.23 -1.26 0.45 115.64 120.70 1x9a s THR 71 Ca 0.03 -0.99 0.33 0.00 -1.18 0.00 0.00 61.69 59.88 1x9a s THR 71 Cb -0.09 -2.56 0.52 0.00 1.34 0.00 0.00 72.50 71.71 1x9a s THR 71 CO 0.03 0.00 1.78 0.10 -0.54 0.00 0.00 174.62 175.99 1x9a h TYR 72 N 0.38 0.17 0.02 3.99 -0.00 -1.98 0.54 116.97 120.09 1x9a h TYR 72 Ca -0.35 0.01 0.01 0.00 -0.00 0.00 0.00 58.73 58.40 1x9a h TYR 72 Cb 1.28 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 37.95 1x9a h TYR 72 CO 0.41 0.00 -0.07 0.77 -0.00 0.00 0.00 178.16 179.27 1x9a h SER 73 N 0.09 -0.19 0.64 0.10 0.02 -1.99 -0.53 113.55 111.69 1x9a h SER 73 Ca 0.59 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.45 1x9a h SER 73 Cb 2.16 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.76 1x9a h SER 73 CO -0.09 -0.10 -0.59 -0.33 -1.14 0.00 0.00 176.83 174.58 1x9a h GLU 74 N -0.13 0.00 -0.16 3.45 3.07 -1.29 0.60 114.58 120.11 1x9a h GLU 74 Ca 0.02 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1x9a h GLU 74 Cb 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1x9a h GLU 74 CO -0.06 0.59 0.02 0.35 -1.40 0.00 0.00 179.01 178.50 1x9a h PHE 75 N 0.00 0.30 -0.47 4.33 3.04 -1.02 0.28 116.94 123.39 1x9a h PHE 75 Ca -0.01 -0.05 -0.06 0.00 3.98 0.00 0.00 57.97 61.84 1x9a h PHE 75 Cb 1.06 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1x9a h PHE 75 CO 0.00 0.47 0.06 0.82 -2.02 0.00 0.00 178.31 177.64 1x9a h ILE 76 N 0.05 1.22 -0.72 1.41 5.03 -1.01 -2.25 117.51 121.23 1x9a h ILE 76 Ca 0.05 -0.85 -0.03 0.00 -0.12 0.00 0.00 64.86 63.91 1x9a h ILE 76 Cb 0.34 0.80 -0.03 0.00 -3.03 0.00 0.00 36.82 34.89 1x9a h ILE 76 CO 0.01 0.31 0.34 -0.78 -0.68 0.00 0.00 178.15 177.34 1x9a h ASP 77 N 0.70 0.94 -0.60 1.72 3.58 -0.46 -1.40 116.42 120.90 1x9a h ASP 77 Ca 0.15 -0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 1x9a h ASP 77 Cb 0.34 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1x9a h ASP 77 CO 0.01 0.80 0.11 0.17 -2.88 0.00 0.00 179.24 177.44 1x9a h LEU 78 N 1.03 0.95 -0.62 2.28 8.10 -0.16 -3.23 115.31 123.65 1x9a h LEU 78 Ca 0.25 -0.25 -0.15 0.00 0.11 0.00 0.00 57.88 57.84 1x9a h LEU 78 Cb 0.11 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.07 1x9a h LEU 78 CO -0.03 0.96 -0.66 0.25 -4.11 0.00 0.00 178.44 174.84 1x9a h LEU 79 N 0.89 0.14 0.00 0.17 5.85 -0.78 -1.58 115.31 120.01 1x9a h LEU 79 Ca 0.18 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1x9a h LEU 79 Cb 0.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1x9a h LEU 79 CO 0.01 0.76 0.00 -1.84 -0.34 0.00 0.00 178.44 177.03 1x9a n GLU 80 N -3.79 0.28 -1.13 1.25 0.28 -0.60 -4.88 120.64 112.06 1x9a n GLU 80 Ca -0.02 0.09 -0.04 0.00 -0.16 0.00 0.00 57.16 57.03 1x9a n GLU 80 Cb 0.66 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 32.01 1x9a n GLU 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x9a n GLY 81 N 0.50 0.71 4.83 -1.84 0.00 -0.59 -3.13 105.19 105.67 1x9a n GLY 81 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.85 0.00 0.08 1.61 2.13 -1.22 -4.50 120.64 115.89 1x9a n GLU 82 Ca -0.04 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.90 1x9a n GLU 82 Cb 0.15 -0.07 0.60 0.00 0.27 0.00 0.00 31.44 32.38 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 0.15 -6.33 5.31 4.81 -1.93 -3.47 114.58 113.12 1x9a h GLU 83 Ca 0.00 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.04 1x9a h GLU 83 Cb 0.00 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.35 1x9a h GLU 83 CO 0.00 0.10 -1.08 0.36 -0.73 0.00 0.00 179.01 177.66 1x9a n LYS 84 N -4.47 -1.01 0.00 1.92 2.85 -1.19 -4.84 118.16 111.42 1x9a n LYS 84 Ca 0.04 1.04 0.14 0.00 -1.05 0.00 0.00 58.31 58.49 1x9a n LYS 84 Cb 0.30 -1.41 0.75 0.00 -0.65 0.00 0.00 35.03 34.02 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 0.59 0.00 -2.69 5.58 7.35 -1.26 -4.61 117.46 122.42 1x9a n PHE 85 Ca -0.04 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.22 1x9a n PHE 85 Cb 0.57 -0.21 -0.01 0.00 0.35 0.00 0.00 39.48 40.18 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 -2.41 4.32 0.00 -2.13 1.01 -1.26 -5.28 121.20 115.44 1x9a s ILE 86 Ca 0.31 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 59.31 1x9a s ILE 86 Cb 0.19 -5.04 0.00 0.00 0.01 0.00 0.00 42.46 37.62 1x9a s ILE 86 CO 0.40 -1.85 0.40 0.61 0.00 0.00 0.00 174.94 174.50