#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbf s ILE 5 N 0.00 5.40 -0.12 1.55 1.10 -0.11 -4.93 121.20 124.10 1xbf s ILE 5 Ca 0.00 0.34 0.01 0.00 -0.51 0.00 0.00 60.65 60.49 1xbf s ILE 5 Cb 0.00 -3.47 -0.01 0.00 0.15 0.00 0.00 42.46 39.13 1xbf s ILE 5 CO 0.00 0.58 -0.17 -1.61 -2.11 0.00 0.00 174.94 171.64 1xbf s GLU 6 N -0.83 3.28 -0.10 3.50 2.02 -1.26 -0.29 118.70 125.02 1xbf s GLU 6 Ca 0.16 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1xbf s GLU 6 Cb -0.13 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 1xbf s GLU 6 CO 0.05 0.20 -0.11 0.71 0.02 0.00 0.00 175.26 176.13 1xbf s TYR 7 N 0.36 2.84 -0.08 1.61 1.51 -0.27 -4.96 117.35 118.36 1xbf s TYR 7 Ca -0.13 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.46 1xbf s TYR 7 Cb -0.17 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.87 1xbf s TYR 7 CO 0.07 0.05 0.41 -1.12 -1.11 0.00 0.00 175.55 173.84 1xbf s SER 8 N -0.21 6.68 -0.01 2.29 0.01 -1.26 -1.48 113.70 119.73 1xbf s SER 8 Ca 0.01 0.81 0.04 0.00 1.31 0.00 0.00 55.95 58.13 1xbf s SER 8 Cb -0.13 -2.25 -0.01 0.00 0.21 0.00 0.00 66.02 63.84 1xbf s SER 8 CO 0.03 0.15 -0.13 -0.76 0.41 0.00 0.00 173.24 172.94 1xbf s LEU 9 N -0.08 2.03 -0.32 2.44 1.43 0.90 -4.97 118.68 120.11 1xbf s LEU 9 Ca 0.23 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1xbf s LEU 9 Cb -0.15 -0.67 0.07 0.00 0.03 0.00 0.00 46.19 45.47 1xbf s LEU 9 CO 0.10 0.16 0.03 -0.54 0.23 0.00 0.00 176.35 176.33 1xbf s LYS 10 N -0.33 2.22 0.49 1.70 3.01 -1.26 0.46 119.74 126.02 1xbf s LYS 10 Ca 0.05 -1.45 -0.18 0.00 -1.01 0.00 0.00 55.97 53.38 1xbf s LYS 10 Cb -0.05 -3.23 -0.09 0.00 -1.01 0.00 0.00 37.83 33.45 1xbf s LYS 10 CO -0.00 -0.74 0.98 0.95 0.51 0.00 0.00 175.35 177.05 1xbf s THR 11 N 1.18 4.43 0.00 2.17 -4.23 -0.94 -4.95 115.64 113.30 1xbf s THR 11 Ca -0.01 1.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1xbf s THR 11 Cb -0.20 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1xbf s THR 11 CO -0.03 -0.55 0.00 -1.20 -0.54 0.00 0.00 174.62 172.31 1xbf n SER 12 N -1.27 0.00 -4.80 3.99 7.64 -1.26 -3.52 113.62 114.40 1xbf n SER 12 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 1xbf n SER 12 Cb 0.54 -0.30 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 1xbf n SER 12 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1xbf s ASN 13 N -2.97 5.71 0.47 6.43 3.04 -1.26 -3.06 114.94 123.30 1xbf s ASN 13 Ca 0.00 1.85 0.17 0.00 0.04 0.00 0.00 52.86 54.93 1xbf s ASN 13 Cb 0.00 -2.54 1.16 0.00 -1.54 0.00 0.00 41.25 38.34 1xbf s ASN 13 CO 0.00 -1.22 2.00 -2.24 -3.04 0.00 0.00 177.10 172.60 1xbf h ASP 14 N 0.43 0.22 -3.34 -4.21 3.04 -1.93 -3.32 116.42 107.31 1xbf h ASP 14 Ca -0.47 0.01 -0.30 0.00 -3.24 0.00 0.00 57.03 53.02 1xbf h ASP 14 Cb 1.22 -0.04 -0.35 0.00 -1.04 0.00 0.00 39.33 39.12 1xbf h ASP 14 CO 0.57 0.13 -0.68 1.51 -2.04 0.00 0.00 179.24 178.73 1xbf s ASP 15 N -6.33 0.47 -0.01 4.15 -4.77 -1.26 -0.30 116.67 108.62 1xbf s ASP 15 Ca -0.07 0.18 -0.28 0.00 -3.30 0.00 0.00 52.55 49.08 1xbf s ASP 15 Cb 0.19 0.06 0.09 0.00 -1.09 0.00 0.00 42.92 42.17 1xbf s ASP 15 CO 0.73 -0.19 0.79 0.00 0.70 0.00 0.00 175.17 177.21 1xbf s GLN 16 N 1.68 0.94 -0.26 2.11 -2.07 -0.42 -5.00 119.66 116.64 1xbf s GLN 16 Ca -0.02 -0.11 -0.10 0.00 -1.82 0.00 0.00 55.36 53.30 1xbf s GLN 16 Cb -0.12 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.19 1xbf s GLN 16 CO -0.04 -0.36 0.16 -0.06 -1.32 0.00 0.00 175.29 173.66 1xbf s PHE 17 N -2.39 3.23 -0.28 9.60 0.40 -1.26 -1.35 117.98 125.93 1xbf s PHE 17 Ca -0.01 0.07 -0.07 0.00 -0.60 0.00 0.00 56.93 56.32 1xbf s PHE 17 Cb -0.01 -2.32 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 1xbf s PHE 17 CO -0.03 -0.11 0.08 0.42 0.70 0.00 0.00 175.22 176.27 1xbf s ILE 18 N 1.49 4.09 -0.39 0.64 -1.09 -0.07 -4.94 121.20 120.93 1xbf s ILE 18 Ca 0.07 -0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 57.70 1xbf s ILE 18 Cb -0.15 -3.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.70 1xbf s ILE 18 CO 0.08 0.18 1.39 -0.62 -1.23 0.00 0.00 174.94 174.73 1xbf s ASP 19 N 1.54 6.40 -0.13 3.58 -1.08 -1.26 -0.67 116.67 125.06 1xbf s ASP 19 Ca 0.04 0.89 0.15 0.00 -0.52 0.00 0.00 52.55 53.11 1xbf s ASP 19 Cb -0.16 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.20 1xbf s ASP 19 CO 0.03 -1.36 1.35 2.30 0.52 0.00 0.00 175.17 178.00 1xbf n ILE 20 N 6.91 1.93 -0.13 4.11 -5.35 -0.38 -4.74 119.36 121.71 1xbf n ILE 20 Ca 0.16 -1.69 -0.04 0.00 -0.27 0.00 0.00 62.75 60.91 1xbf n ILE 20 Cb 0.48 -0.06 0.04 0.00 -1.74 0.00 0.00 39.64 38.35 1xbf n ILE 20 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xbf h THR 21 N 1.62 0.66 -0.52 7.28 2.02 -1.88 -0.80 112.91 121.29 1xbf h THR 21 Ca 0.00 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1xbf h THR 21 Cb 1.22 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1xbf h THR 21 CO 0.15 0.02 0.12 0.78 0.37 0.00 0.00 175.52 176.96 1xbf h ASN 22 N 0.10 0.75 -0.80 4.18 2.35 -1.93 0.24 115.58 120.47 1xbf h ASN 22 Ca 0.21 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 1xbf h ASN 22 Cb 0.31 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.44 1xbf h ASN 22 CO -0.36 0.74 0.51 -0.07 -1.65 0.00 0.00 177.43 176.60 1xbf h LEU 23 N 0.77 0.84 -0.27 1.61 4.07 -1.55 0.21 115.31 120.99 1xbf h LEU 23 Ca 0.17 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 1xbf h LEU 23 Cb 0.29 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1xbf h LEU 23 CO -0.00 0.58 -0.13 0.58 -1.08 0.00 0.00 178.44 178.39 1xbf h VAL 24 N 0.99 1.30 -0.63 1.22 2.07 -0.25 -2.77 116.25 118.18 1xbf h VAL 24 Ca 0.32 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.68 1xbf h VAL 24 Cb 0.01 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1xbf h VAL 24 CO -0.11 0.38 0.42 0.11 0.02 0.00 0.00 177.57 178.39 1xbf h LYS 25 N 0.30 0.63 -0.26 1.57 1.57 0.34 -1.09 116.57 119.63 1xbf h LYS 25 Ca 0.06 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1xbf h LYS 25 Cb 0.64 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1xbf h LYS 25 CO 0.04 0.41 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.75 1xbf h LYS 26 N 0.65 0.59 -0.53 3.15 3.64 -0.50 -1.29 116.57 122.28 1xbf h LYS 26 Ca 0.27 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1xbf h LYS 26 Cb 0.24 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1xbf h LYS 26 CO -0.08 0.87 0.17 0.00 -2.27 0.00 0.00 179.45 178.14 1xbf h ALA 27 N 1.11 0.69 0.05 5.00 0.00 -0.94 -0.77 119.26 124.40 1xbf h ALA 27 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xbf h ALA 27 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xbf h ALA 27 CO 0.07 0.35 -0.02 0.28 0.00 0.00 0.00 179.25 179.93 1xbf h VAL 28 N 0.73 1.14 -0.14 0.00 2.07 -1.16 -1.95 116.25 116.94 1xbf h VAL 28 Ca 0.17 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1xbf h VAL 28 Cb 0.27 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1xbf h VAL 28 CO -0.01 0.16 -0.05 0.44 0.02 0.00 0.00 177.57 178.14 1xbf h ASP 29 N -0.35 -0.17 0.58 0.57 3.32 -1.17 -1.64 116.42 117.56 1xbf h ASP 29 Ca -0.01 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xbf h ASP 29 Cb 0.32 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1xbf h ASP 29 CO 0.01 -0.07 0.00 -0.33 -1.72 0.00 0.00 179.24 177.14 1xbf h GLU 30 N -0.02 0.00 0.00 3.56 5.08 -1.14 -2.07 114.58 119.98 1xbf h GLU 30 Ca 0.07 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1xbf h GLU 30 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1xbf h GLU 30 CO -0.16 0.00 -0.30 0.66 -1.00 0.00 0.00 179.01 178.21 1xbf h SER 31 N 0.00 0.00 0.00 1.42 4.64 -0.49 -3.47 113.55 115.65 1xbf h SER 31 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xbf h SER 31 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1xbf h SER 31 CO 0.00 0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 1xbf n GLY 32 N 1.17 2.43 3.75 -0.77 0.00 -0.78 -4.98 105.19 106.00 1xbf n GLY 32 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1xbf n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xbf s VAL 33 N -3.01 2.11 -0.24 1.61 1.01 -1.26 -4.94 120.40 115.69 1xbf s VAL 33 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1xbf s VAL 33 Cb 0.00 -3.06 -0.16 0.00 0.00 0.00 0.00 36.38 33.16 1xbf s VAL 33 CO 0.00 0.01 -0.11 -1.54 0.00 0.00 0.00 175.10 173.46 1xbf n SER 34 N 2.26 1.96 -4.02 3.32 3.41 -1.26 -4.29 113.62 115.00 1xbf n SER 34 Ca 0.08 0.24 -0.26 0.00 -0.26 0.00 0.00 58.87 58.67 1xbf n SER 34 Cb 0.37 -0.77 -0.17 0.00 -0.26 0.00 0.00 64.21 63.39 1xbf n SER 34 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xbf s ASP 35 N -7.09 2.03 0.00 4.04 1.01 -1.26 0.44 116.67 115.83 1xbf s ASP 35 Ca -0.34 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.58 1xbf s ASP 35 Cb 0.11 -0.91 0.00 0.00 1.01 0.00 0.00 42.92 43.13 1xbf s ASP 35 CO 0.57 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.57 1xbf n GLY 36 N 4.06 -0.94 3.23 0.21 0.00 -0.02 -4.66 105.19 107.07 1xbf n GLY 36 Ca -0.20 0.70 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 1xbf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xbf s ALA 38 N -1.00 -1.02 -0.22 4.61 0.00 0.33 -1.08 121.76 123.38 1xbf s ALA 38 Ca 0.00 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 1xbf s ALA 38 Cb 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.97 1xbf s ALA 38 CO 0.00 -0.57 -0.03 0.08 0.00 0.00 0.00 175.76 175.24 1xbf s VAL 39 N 2.16 3.52 -0.25 0.00 1.01 0.13 -0.81 120.40 126.17 1xbf s VAL 39 Ca -0.04 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1xbf s VAL 39 Cb -0.11 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 1xbf s VAL 39 CO -0.12 0.41 0.06 -0.69 0.00 0.00 0.00 175.10 174.76 1xbf s VAL 40 N 1.47 4.18 -0.05 2.92 1.01 -0.39 -0.75 120.40 128.78 1xbf s VAL 40 Ca 0.06 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1xbf s VAL 40 Cb -0.14 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1xbf s VAL 40 CO -0.02 0.32 -0.22 0.12 0.00 0.00 0.00 175.10 175.30 1xbf s PHE 41 N 1.59 2.13 -0.37 5.22 2.19 0.45 -1.81 117.98 127.38 1xbf s PHE 41 Ca 0.06 -0.63 -0.11 0.00 0.33 0.00 0.00 56.93 56.58 1xbf s PHE 41 Cb -0.15 -1.41 0.03 0.00 -1.31 0.00 0.00 43.02 40.17 1xbf s PHE 41 CO 0.03 -0.20 0.20 0.00 1.83 0.00 0.00 175.22 177.08 1xbf n PRO 43 N 4.98 1.07 -4.32 0.00 -0.04 -1.26 -4.83 135.00 130.61 1xbf n PRO 43 Ca -0.12 -0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 62.93 1xbf n PRO 43 Cb 0.46 -1.07 -0.12 0.00 -0.04 0.00 0.00 33.50 32.73 1xbf n PRO 43 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1xbf s HIS 44 N -0.19 1.91 -2.79 0.54 3.76 -1.26 -5.04 115.29 112.21 1xbf s HIS 44 Ca 0.03 -0.42 0.25 0.00 -0.15 0.00 0.00 55.06 54.78 1xbf s HIS 44 Cb 0.03 -1.02 0.49 0.00 1.11 0.00 0.00 32.58 33.19 1xbf s HIS 44 CO 0.01 0.26 1.43 0.25 -0.85 0.00 0.00 174.74 175.84 1xbf n THR 45 N 0.90 0.00 -1.37 1.30 -2.24 -1.26 -4.06 114.28 107.55 1xbf n THR 45 Ca -0.18 -0.40 0.07 0.00 -2.27 0.00 0.00 64.05 61.27 1xbf n THR 45 Cb 0.54 1.13 0.11 0.00 -2.10 0.00 0.00 70.33 70.01 1xbf n THR 45 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xbf n THR 46 N 0.89 1.40 -3.99 4.28 -2.24 -1.26 -4.15 114.28 109.21 1xbf n THR 46 Ca 0.16 -1.75 -0.10 0.00 -2.27 0.00 0.00 64.05 60.09 1xbf n THR 46 Cb 0.51 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1xbf n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbf s ALA 47 N -2.13 -0.02 0.00 6.98 0.00 -1.26 -2.23 121.76 123.10 1xbf s ALA 47 Ca 0.25 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1xbf s ALA 47 Cb 0.22 1.02 0.00 0.00 0.00 0.00 0.00 23.12 24.36 1xbf s ALA 47 CO 0.01 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.44 1xbf n GLY 48 N -0.30 2.45 2.98 0.00 0.00 -0.55 -4.72 105.19 105.05 1xbf n GLY 48 Ca -0.04 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 1xbf n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xbf s ILE 49 N -2.87 0.82 0.20 -0.61 -1.09 -0.06 -0.50 121.20 117.09 1xbf s ILE 49 Ca 0.00 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.03 1xbf s ILE 49 Cb 0.00 -0.76 -0.03 0.00 -1.58 0.00 0.00 42.46 40.09 1xbf s ILE 49 CO 0.00 0.27 0.23 0.28 -1.23 0.00 0.00 174.94 174.49 1xbf s THR 50 N 0.46 0.02 -0.07 2.92 -1.32 -0.27 -4.24 115.64 113.13 1xbf s THR 50 Ca -0.08 -1.76 0.03 0.00 -1.21 0.00 0.00 61.69 58.67 1xbf s THR 50 Cb -0.12 -2.28 0.01 0.00 -1.51 0.00 0.00 72.50 68.60 1xbf s THR 50 CO 0.01 -0.10 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.54 1xbf s ILE 51 N -4.09 1.40 0.00 5.08 1.01 -1.26 0.25 121.20 123.59 1xbf s ILE 51 Ca 0.30 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1xbf s ILE 51 Cb 0.05 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1xbf s ILE 51 CO 0.08 0.41 0.00 -3.20 0.00 0.00 0.00 174.94 172.24 1xbf n ASN 52 N 3.70 0.00 -4.64 3.58 2.85 -0.60 -4.93 115.26 115.22 1xbf n ASN 52 Ca -0.22 -0.98 -0.59 0.00 -0.11 0.00 0.00 54.58 52.68 1xbf n ASN 52 Cb 0.52 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.46 1xbf n ASN 52 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1xbf n GLU 53 N 0.00 0.57 -0.04 1.20 4.07 -1.25 -0.85 120.64 124.34 1xbf n GLU 53 Ca 0.00 0.21 0.08 0.00 -0.06 0.00 0.00 57.16 57.38 1xbf n GLU 53 Cb 0.00 -1.79 0.09 0.00 -0.06 0.00 0.00 31.44 29.68 1xbf n GLU 53 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1xbf n ASN 54 N 3.33 2.44 -0.01 4.31 6.94 0.34 -4.72 115.26 127.89 1xbf n ASN 54 Ca 0.24 -1.70 -0.01 0.00 -0.02 0.00 0.00 54.58 53.09 1xbf n ASN 54 Cb 0.09 -0.06 -0.00 0.00 -2.36 0.00 0.00 39.78 37.44 1xbf n ASN 54 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xbf n ALA 55 N 0.86 1.08 -2.45 -2.53 0.00 -1.26 -4.93 120.51 111.27 1xbf n ALA 55 Ca 0.10 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.89 1xbf n ALA 55 Cb 0.40 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1xbf n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xbf s ASP 56 N -4.61 6.10 0.60 0.00 2.15 -1.26 -4.88 116.67 114.77 1xbf s ASP 56 Ca -0.04 -0.02 0.27 0.00 0.43 0.00 0.00 52.55 53.19 1xbf s ASP 56 Cb 0.00 -2.55 1.44 0.00 -0.30 0.00 0.00 42.92 41.52 1xbf s ASP 56 CO 0.05 -1.79 1.80 1.55 -0.17 0.00 0.00 175.17 176.61 1xbf h PRO 57 N 10.83 0.00 -0.25 4.34 0.13 -1.93 0.16 132.00 145.28 1xbf h PRO 57 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 1xbf h PRO 57 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1xbf h PRO 57 CO 1.22 0.00 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.45 1xbf h ASP 58 N 0.00 0.39 0.43 1.44 3.32 -1.99 -2.75 116.42 117.26 1xbf h ASP 58 Ca 0.00 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1xbf h ASP 58 Cb 0.65 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1xbf h ASP 58 CO 0.00 0.53 -0.21 0.58 -1.72 0.00 0.00 179.24 178.42 1xbf h VAL 59 N 0.38 0.58 -0.43 -1.35 2.07 -1.35 0.06 116.25 116.21 1xbf h VAL 59 Ca 0.08 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1xbf h VAL 59 Cb 0.41 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1xbf h VAL 59 CO 0.02 0.01 0.16 0.71 0.02 0.00 0.00 177.57 178.49 1xbf h THR 60 N -0.61 1.17 -0.33 2.57 1.35 -1.71 -1.87 112.91 113.47 1xbf h THR 60 Ca -0.06 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.26 1xbf h THR 60 Cb 0.46 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1xbf h THR 60 CO 0.10 0.21 0.17 -0.09 -0.25 0.00 0.00 175.52 175.65 1xbf h ARG 61 N 0.61 0.47 -0.11 4.72 1.12 -1.18 -2.07 114.38 117.94 1xbf h ARG 61 Ca 0.15 -0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 58.91 1xbf h ARG 61 Cb 0.14 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 1xbf h ARG 61 CO -0.01 0.42 -0.14 -0.44 -3.11 0.00 0.00 179.97 176.69 1xbf h ASP 62 N 0.41 0.16 0.03 -3.80 3.32 -0.34 -0.98 116.42 115.22 1xbf h ASP 62 Ca 0.12 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1xbf h ASP 62 Cb 0.10 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1xbf h ASP 62 CO -0.02 0.32 -0.02 0.40 -1.72 0.00 0.00 179.24 178.21 1xbf h ILE 63 N 0.17 1.25 -0.61 0.35 2.04 -1.02 0.91 117.51 120.60 1xbf h ILE 63 Ca 0.03 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.99 1xbf h ILE 63 Cb 0.35 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1xbf h ILE 63 CO 0.02 0.24 0.38 -0.07 0.00 0.00 0.00 178.15 178.71 1xbf h LEU 64 N -0.45 0.62 -0.28 1.44 3.38 -1.15 0.13 115.31 119.00 1xbf h LEU 64 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xbf h LEU 64 Cb 0.42 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xbf h LEU 64 CO 0.01 0.43 0.08 0.58 0.09 0.00 0.00 178.44 179.63 1xbf h VAL 65 N 0.75 1.21 -0.33 1.22 2.07 -1.14 -1.19 116.25 118.83 1xbf h VAL 65 Ca 0.24 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1xbf h VAL 65 Cb 0.01 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1xbf h VAL 65 CO -0.10 0.22 -0.19 0.78 0.02 0.00 0.00 177.57 178.31 1xbf h ASN 66 N 0.29 0.60 -0.70 0.57 2.35 -0.48 -1.25 115.58 116.97 1xbf h ASN 66 Ca 0.09 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.58 1xbf h ASN 66 Cb 0.26 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1xbf h ASN 66 CO -0.00 0.80 0.16 -0.07 -1.65 0.00 0.00 177.43 176.67 1xbf h LEU 67 N 0.54 1.07 -0.56 1.61 3.38 -0.56 -2.44 115.31 118.34 1xbf h LEU 67 Ca 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1xbf h LEU 67 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1xbf h LEU 67 CO 0.04 1.03 0.17 -0.78 0.09 0.00 0.00 178.44 179.00 1xbf h ASP 68 N 1.06 0.82 -0.52 -0.43 3.58 -0.85 -0.20 116.42 119.88 1xbf h ASP 68 Ca 0.22 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xbf h ASP 68 Cb 0.38 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1xbf h ASP 68 CO 0.00 0.81 0.32 0.50 -2.88 0.00 0.00 179.24 178.00 1xbf h LYS 69 N 0.79 0.71 -0.01 0.28 3.64 -0.97 -1.41 116.57 119.59 1xbf h LYS 69 Ca 0.18 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 1xbf h LYS 69 Cb 0.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1xbf h LYS 69 CO -0.01 0.51 -0.77 0.28 -2.27 0.00 0.00 179.45 177.19 1xbf h VAL 70 N 0.70 1.49 -2.43 2.00 2.07 -1.36 -3.37 116.25 115.35 1xbf h VAL 70 Ca 0.19 -2.47 -0.59 0.00 0.82 0.00 0.00 66.70 64.65 1xbf h VAL 70 Cb -0.02 2.34 -0.40 0.00 -1.52 0.00 0.00 31.29 31.69 1xbf h VAL 70 CO -0.04 0.71 -0.83 0.49 0.02 0.00 0.00 177.57 177.93 1xbf n PHE 71 N -3.70 1.15 -1.33 1.57 3.72 -0.10 -5.11 117.46 113.67 1xbf n PHE 71 Ca -0.02 -3.79 -0.33 0.00 -0.05 0.00 0.00 57.45 53.26 1xbf n PHE 71 Cb 0.74 -0.26 0.10 0.00 -0.94 0.00 0.00 39.48 39.11 1xbf n PHE 71 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xbf s PRO 72 N -1.11 2.01 0.37 -1.08 0.04 -0.55 -4.53 135.00 130.15 1xbf s PRO 72 Ca 0.33 1.67 0.07 0.00 0.04 0.00 0.00 61.00 63.11 1xbf s PRO 72 Cb 0.07 -1.83 0.79 0.00 0.04 0.00 0.00 34.50 33.57 1xbf s PRO 72 CO -0.14 -1.91 1.97 0.87 0.04 0.00 0.00 177.00 177.83 1xbf h LYS 73 N -0.57 0.68 -5.99 4.56 1.57 -1.97 -3.41 116.57 111.44 1xbf h LYS 73 Ca -0.47 -0.04 -0.68 0.00 -1.87 0.00 0.00 60.65 57.59 1xbf h LYS 73 Cb 1.28 -0.15 -0.25 0.00 0.08 0.00 0.00 32.23 33.19 1xbf h LYS 73 CO 0.49 0.45 -0.78 0.08 -0.57 0.00 0.00 179.45 179.11 1xbf s VAL 74 N -5.62 2.93 -2.48 0.50 1.01 -1.26 -4.80 120.40 110.67 1xbf s VAL 74 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1xbf s VAL 74 Cb 0.19 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1xbf s VAL 74 CO 0.77 0.57 0.00 0.61 0.00 0.00 0.00 175.10 177.04 1xbf n GLY 75 N 2.76 -0.62 3.49 4.51 0.00 -1.26 -5.04 105.19 109.02 1xbf n GLY 75 Ca -0.17 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1xbf n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xbf n ASP 76 N 0.00 3.82 -3.95 1.61 4.64 -1.26 -4.89 116.55 116.52 1xbf n ASP 76 Ca 0.00 -2.79 -0.22 0.00 -1.38 0.00 0.00 54.79 50.39 1xbf n ASP 76 Cb 0.00 -1.69 -0.16 0.00 -1.04 0.00 0.00 41.12 38.23 1xbf n ASP 76 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1xbf s TYR 77 N 7.38 1.09 -0.12 -0.67 2.02 -1.26 -5.03 117.35 120.76 1xbf s TYR 77 Ca 0.60 -0.38 0.17 0.00 -0.37 0.00 0.00 57.07 57.10 1xbf s TYR 77 Cb 0.03 -0.87 -0.16 0.00 -0.40 0.00 0.00 41.96 40.56 1xbf s TYR 77 CO 0.10 -0.25 0.75 1.63 -1.57 0.00 0.00 175.55 176.21 1xbf n LYS 78 N 4.03 0.63 -1.64 -0.62 4.76 -1.26 -4.90 118.16 119.16 1xbf n LYS 78 Ca -0.23 0.19 -0.44 0.00 -2.87 0.00 0.00 58.31 54.97 1xbf n LYS 78 Cb 0.51 -1.77 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 1xbf n LYS 78 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1xbf n HIS 79 N -2.86 2.33 0.30 2.13 -0.00 -1.26 -4.87 115.22 110.99 1xbf n HIS 79 Ca -0.11 -0.24 0.20 0.00 0.46 0.00 0.00 57.72 58.02 1xbf n HIS 79 Cb 0.86 -2.76 0.99 0.00 -0.12 0.00 0.00 29.99 28.97 1xbf n HIS 79 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 1xbf h VAL 80 N 5.98 0.00 0.00 3.57 -1.51 -2.04 -2.58 116.25 119.67 1xbf h VAL 80 Ca -0.47 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1xbf h VAL 80 Cb 1.25 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1xbf h VAL 80 CO 0.95 0.00 0.00 -0.33 -1.23 0.00 0.00 177.57 176.96 1xbf h GLU 81 N 0.00 0.00 -0.65 5.19 5.08 -2.00 -3.46 114.58 118.74 1xbf h GLU 81 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1xbf h GLU 81 Cb 0.12 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1xbf h GLU 81 CO 0.00 0.00 -0.18 0.41 -1.00 0.00 0.00 179.01 178.24 1xbf n GLY 82 N 0.25 0.79 0.28 -3.84 0.00 -0.97 -4.91 105.19 96.79 1xbf n GLY 82 Ca 0.02 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.53 1xbf n GLY 82 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xbf n ASN 83 N 0.49 2.00 0.22 1.61 0.23 -1.26 -4.77 115.26 113.77 1xbf n ASN 83 Ca -0.09 -3.21 0.07 0.00 -0.53 0.00 0.00 54.58 50.81 1xbf n ASN 83 Cb 0.37 -0.44 0.57 0.00 -2.08 0.00 0.00 39.78 38.20 1xbf n ASN 83 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1xbf h SER 84 N 0.29 0.05 -0.31 0.53 0.02 -1.91 -1.01 113.55 111.22 1xbf h SER 84 Ca -0.01 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1xbf h SER 84 Cb 1.05 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1xbf h SER 84 CO 0.00 0.10 0.20 1.12 -1.14 0.00 0.00 176.83 177.11 1xbf h HIS 85 N 0.06 0.40 -0.16 3.45 2.07 -1.86 -0.88 115.15 118.23 1xbf h HIS 85 Ca 0.01 0.01 -0.21 0.00 -2.85 0.00 0.00 60.37 57.33 1xbf h HIS 85 Cb 0.11 -0.13 0.01 0.00 2.57 0.00 0.00 27.41 29.96 1xbf h HIS 85 CO 0.00 0.26 -0.70 0.00 -3.07 0.00 0.00 177.93 174.42 1xbf h ALA 86 N 1.79 0.31 -0.72 6.11 0.00 -1.45 -2.26 119.26 123.04 1xbf h ALA 86 Ca 0.11 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1xbf h ALA 86 Cb -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1xbf h ALA 86 CO -0.02 0.63 0.37 0.45 0.00 0.00 0.00 179.25 180.68 1xbf h HIS 87 N 0.49 0.99 0.01 0.00 3.86 -0.98 -0.90 115.15 118.61 1xbf h HIS 87 Ca -0.04 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1xbf h HIS 87 Cb 1.33 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1xbf h HIS 87 CO 0.09 0.70 -0.00 0.82 0.86 0.00 0.00 177.93 180.39 1xbf h ILE 88 N 1.00 1.28 -0.41 2.45 2.04 -1.12 -2.83 117.51 119.91 1xbf h ILE 88 Ca 0.25 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.27 1xbf h ILE 88 Cb 0.05 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1xbf h ILE 88 CO -0.04 0.22 0.27 0.11 0.00 0.00 0.00 178.15 178.72 1xbf h LYS 89 N -0.37 0.52 -0.27 2.37 1.57 -1.23 -2.01 116.57 117.14 1xbf h LYS 89 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1xbf h LYS 89 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1xbf h LYS 89 CO 0.00 0.34 0.14 0.00 -0.57 0.00 0.00 179.45 179.37 1xbf h ALA 90 N 1.75 0.35 -0.06 3.86 0.00 -1.07 -2.64 119.26 121.44 1xbf h ALA 90 Ca 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1xbf h ALA 90 Cb -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xbf h ALA 90 CO -0.03 -0.10 -0.28 0.77 0.00 0.00 0.00 179.25 179.61 1xbf h SER 91 N 0.32 0.10 0.00 0.00 0.02 -1.17 0.12 113.55 112.94 1xbf h SER 91 Ca 0.10 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1xbf h SER 91 Cb 0.09 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1xbf h SER 91 CO -0.01 0.39 0.00 0.18 -1.14 0.00 0.00 176.83 176.24 1xbf n LEU 92 N -4.17 0.32 -3.51 5.07 4.77 -0.81 -4.80 117.00 113.86 1xbf n LEU 92 Ca -0.02 -0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.66 1xbf n LEU 92 Cb 0.35 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1xbf n LEU 92 CO 0.39 0.08 0.52 -0.83 -1.33 0.00 0.00 177.39 176.21 1xbf s GLY 94 N -0.84 -0.52 0.08 -0.72 0.00 0.42 -5.11 107.32 100.64 1xbf s GLY 94 Ca 0.00 1.29 0.27 0.00 0.00 0.00 0.00 44.72 46.28 1xbf s GLY 94 CO 0.00 0.78 1.81 -1.14 0.00 0.00 0.00 173.10 174.55 1xbf n SER 95 N 0.55 0.36 -3.67 1.64 3.41 -1.26 -0.88 113.62 113.77 1xbf n SER 95 Ca -0.16 0.46 -0.06 0.00 -0.26 0.00 0.00 58.87 58.85 1xbf n SER 95 Cb 0.59 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1xbf n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xbf s SER 96 N -3.62 -0.27 0.07 4.04 1.04 -1.26 -0.32 113.70 113.38 1xbf s SER 96 Ca 0.12 -0.29 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 1xbf s SER 96 Cb 0.16 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.79 1xbf s SER 96 CO 0.58 -0.88 0.26 -1.10 0.98 0.00 0.00 173.24 173.07 1xbf s GLN 97 N -3.35 0.84 0.06 4.02 -1.52 -0.75 -4.86 119.66 114.09 1xbf s GLN 97 Ca 0.09 -0.70 0.04 0.00 -1.95 0.00 0.00 55.36 52.84 1xbf s GLN 97 Cb -0.02 0.35 -0.03 0.00 -0.22 0.00 0.00 33.01 33.10 1xbf s GLN 97 CO -0.01 -0.27 -0.12 1.14 -0.25 0.00 0.00 175.29 175.77 1xbf s GLN 98 N -3.15 0.73 -0.03 2.91 -2.07 -1.26 -1.27 119.66 115.52 1xbf s GLN 98 Ca -0.01 -0.85 0.03 0.00 -1.82 0.00 0.00 55.36 52.71 1xbf s GLN 98 Cb 0.01 -0.66 -0.00 0.00 -1.09 0.00 0.00 33.01 31.27 1xbf s GLN 98 CO -0.07 0.15 -0.13 0.42 -1.32 0.00 0.00 175.29 174.34 1xbf s ILE 99 N -1.23 1.05 0.34 3.63 1.09 0.01 -4.98 121.20 121.12 1xbf s ILE 99 Ca -0.04 -0.52 -0.28 0.00 -1.10 0.00 0.00 60.65 58.71 1xbf s ILE 99 Cb -0.10 -0.91 -0.09 0.00 -1.06 0.00 0.00 42.46 40.30 1xbf s ILE 99 CO 0.02 0.31 1.20 -0.63 -0.10 0.00 0.00 174.94 175.74 1xbf s ILE 100 N 0.02 3.06 -0.23 2.92 1.01 -1.26 -0.51 121.20 126.21 1xbf s ILE 100 Ca -0.01 1.00 -0.05 0.00 0.00 0.00 0.00 60.65 61.59 1xbf s ILE 100 Cb -0.09 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1xbf s ILE 100 CO 0.01 0.19 -0.00 -0.63 0.00 0.00 0.00 174.94 174.50 1xbf s ILE 101 N -1.25 3.71 -0.05 2.92 1.01 -0.24 -1.04 121.20 126.27 1xbf s ILE 101 Ca 0.51 -0.38 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 1xbf s ILE 101 Cb -0.34 -2.71 0.03 0.00 0.01 0.00 0.00 42.46 39.44 1xbf s ILE 101 CO 0.45 0.39 0.01 -0.70 0.00 0.00 0.00 174.94 175.09 1xbf s GLU 102 N 1.52 0.37 -1.19 2.79 2.12 -0.66 -0.84 118.70 122.81 1xbf s GLU 102 Ca 0.06 0.14 -0.07 0.00 0.36 0.00 0.00 54.97 55.46 1xbf s GLU 102 Cb -0.15 -0.70 0.01 0.00 0.26 0.00 0.00 34.13 33.56 1xbf s GLU 102 CO -0.01 -0.24 1.04 0.09 -0.54 0.00 0.00 175.26 175.61 1xbf n ASN 103 N 4.77 -5.66 0.00 -1.70 5.03 -0.35 -2.33 115.26 115.02 1xbf n ASN 103 Ca -0.14 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1xbf n ASN 103 Cb 0.50 -4.51 0.00 0.00 -1.02 0.00 0.00 39.78 34.75 1xbf n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xbf n GLY 104 N -1.80 0.28 3.30 7.41 0.00 0.17 -4.98 105.19 109.58 1xbf n GLY 104 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1xbf n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbf s LYS 105 N -0.94 1.19 0.00 1.61 1.02 -0.98 -4.69 119.74 116.95 1xbf s LYS 105 Ca 0.00 -1.30 -0.30 0.00 0.02 0.00 0.00 55.97 54.38 1xbf s LYS 105 Cb 0.00 -1.29 -0.06 0.00 -0.52 0.00 0.00 37.83 35.96 1xbf s LYS 105 CO 0.00 0.27 1.51 -0.51 -0.92 0.00 0.00 175.35 175.71 1xbf s LEU 106 N -2.39 4.33 -1.23 3.17 1.43 -1.26 -1.65 118.68 121.08 1xbf s LEU 106 Ca 0.12 2.23 -0.18 0.00 -1.03 0.00 0.00 54.13 55.27 1xbf s LEU 106 Cb -0.07 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.69 1xbf s LEU 106 CO 0.05 -0.81 1.62 -0.75 0.23 0.00 0.00 176.35 176.69 1xbf s LYS 107 N 2.80 3.95 0.20 1.70 2.20 -0.21 -4.94 119.74 125.44 1xbf s LYS 107 Ca 0.68 -2.01 0.09 0.00 -0.36 0.00 0.00 55.97 54.37 1xbf s LYS 107 Cb -0.34 -5.39 -0.04 0.00 -1.51 0.00 0.00 37.83 30.55 1xbf s LYS 107 CO 0.28 -2.13 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.57 1xbf s LEU 108 N 3.70 3.08 0.78 5.43 1.43 -1.26 -4.61 118.68 127.23 1xbf s LEU 108 Ca 0.50 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1xbf s LEU 108 Cb 0.02 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1xbf s LEU 108 CO 0.03 0.08 1.08 -0.83 0.23 0.00 0.00 176.35 176.95 1xbf s GLY 109 N -3.02 1.65 0.31 -3.19 0.00 -1.26 -4.93 107.32 96.89 1xbf s GLY 109 Ca 0.27 0.06 0.06 0.00 0.00 0.00 0.00 44.72 45.10 1xbf s GLY 109 CO 0.17 0.44 1.81 -0.91 0.00 0.00 0.00 173.10 174.60 1xbf h THR 110 N -1.08 0.78 -0.38 0.90 1.35 -2.02 -2.27 112.91 110.19 1xbf h THR 110 Ca -0.45 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1xbf h THR 110 Cb 1.24 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1xbf h THR 110 CO 0.55 0.15 0.00 0.79 -0.25 0.00 0.00 175.52 176.76 1xbf n TRP 111 N -4.69 0.49 -3.03 4.73 7.02 -1.26 -4.96 117.44 115.73 1xbf n TRP 111 Ca 0.21 -0.24 -0.40 0.00 -1.02 0.00 0.00 57.50 56.05 1xbf n TRP 111 Cb 0.51 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.36 1xbf n TRP 111 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1xbf s GLN 112 N -1.51 4.43 0.05 -0.99 -0.21 -0.86 -0.50 119.66 120.07 1xbf s GLN 112 Ca 0.38 0.89 0.05 0.00 0.02 0.00 0.00 55.36 56.70 1xbf s GLN 112 Cb 0.22 -3.46 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 1xbf s GLN 112 CO 0.30 0.03 -0.15 0.20 -2.12 0.00 0.00 175.29 173.56 1xbf s GLY 113 N 0.83 0.84 -0.11 3.09 0.00 -0.03 -4.76 107.32 107.18 1xbf s GLY 113 Ca 0.38 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 44.02 1xbf s GLY 113 CO 0.18 -0.87 0.53 -0.42 0.00 0.00 0.00 173.10 172.52 1xbf s ILE 114 N -0.94 5.15 0.00 0.90 1.01 -1.26 -1.56 121.20 124.50 1xbf s ILE 114 Ca 0.01 1.06 0.08 0.00 0.00 0.00 0.00 60.65 61.80 1xbf s ILE 114 Cb -0.08 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1xbf s ILE 114 CO 0.02 0.30 -0.23 -0.31 0.00 0.00 0.00 174.94 174.71 1xbf s TYR 115 N 0.71 2.08 -0.27 3.97 2.02 0.14 -1.24 117.35 124.75 1xbf s TYR 115 Ca 0.28 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.46 1xbf s TYR 115 Cb -0.16 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1xbf s TYR 115 CO 0.12 0.01 0.30 0.12 -1.57 0.00 0.00 175.55 174.53 1xbf s PHE 116 N -0.63 3.24 -0.54 2.71 2.19 0.16 -1.12 117.98 123.99 1xbf s PHE 116 Ca 0.09 0.30 -0.16 0.00 0.33 0.00 0.00 56.93 57.49 1xbf s PHE 116 Cb -0.09 -2.49 0.13 0.00 -1.31 0.00 0.00 43.02 39.26 1xbf s PHE 116 CO 0.00 -0.19 0.49 0.95 1.83 0.00 0.00 175.22 178.30 1xbf s THR 117 N 1.92 5.17 -0.10 0.12 -4.23 0.35 -0.89 115.64 117.97 1xbf s THR 117 Ca 0.12 -1.52 -0.27 0.00 -1.18 0.00 0.00 61.69 58.84 1xbf s THR 117 Cb -0.16 -4.31 -0.02 0.00 1.34 0.00 0.00 72.50 69.35 1xbf s THR 117 CO 0.10 -0.87 0.87 -0.70 -0.54 0.00 0.00 174.62 173.48 1xbf s GLU 118 N 1.58 4.40 0.00 3.99 2.56 -0.46 -1.48 118.70 129.29 1xbf s GLU 118 Ca 0.03 1.14 0.00 0.00 0.00 0.00 0.00 54.97 56.15 1xbf s GLU 118 Cb -0.30 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 32.32 1xbf s GLU 118 CO 0.03 -0.19 0.56 1.19 -0.56 0.00 0.00 175.26 176.29 1xbf n PHE 119 N 4.61 0.00 -2.70 5.30 3.72 -0.95 -1.30 117.46 126.15 1xbf n PHE 119 Ca 0.04 -0.05 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 1xbf n PHE 119 Cb 0.50 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.10 1xbf n PHE 119 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xbf n ASP 120 N -0.02 0.25 -4.57 4.37 2.03 0.02 -4.62 116.55 114.01 1xbf n ASP 120 Ca 0.00 -2.50 -0.25 0.00 0.52 0.00 0.00 54.79 52.56 1xbf n ASP 120 Cb 0.04 0.02 0.12 0.00 -0.72 0.00 0.00 41.12 40.58 1xbf n ASP 120 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1xbf s GLY 121 N -2.50 1.76 0.03 0.27 0.00 0.59 -4.58 107.32 102.88 1xbf s GLY 121 Ca 0.24 -1.59 -0.29 0.00 0.00 0.00 0.00 44.72 43.08 1xbf s GLY 121 CO -0.02 -0.99 0.94 2.56 0.00 0.00 0.00 173.10 175.59 1xbf s PRO 122 N -5.30 4.59 0.18 2.90 0.04 -1.17 -3.44 135.00 132.79 1xbf s PRO 122 Ca 0.68 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 1xbf s PRO 122 Cb -0.05 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1xbf s PRO 122 CO 0.46 0.05 0.29 1.03 0.04 0.00 0.00 177.00 178.87 1xbf s ARG 123 N 0.64 1.22 -0.57 4.56 0.52 -1.23 -4.95 118.95 119.14 1xbf s ARG 123 Ca 0.49 -1.25 -0.23 0.00 -0.52 0.00 0.00 55.73 54.21 1xbf s ARG 123 Cb -0.21 0.38 0.05 0.00 0.52 0.00 0.00 34.95 35.68 1xbf s ARG 123 CO 0.28 -0.45 0.92 -0.51 0.02 0.00 0.00 175.30 175.56 1xbf s ASP 124 N -3.00 6.29 0.40 0.23 1.01 -1.26 -2.21 116.67 118.13 1xbf s ASP 124 Ca 0.21 -0.53 0.08 0.00 0.71 0.00 0.00 52.55 53.02 1xbf s ASP 124 Cb 0.03 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1xbf s ASP 124 CO 0.03 -1.25 0.33 -0.13 0.21 0.00 0.00 175.17 174.36 1xbf s ARG 125 N 3.88 2.52 0.06 8.23 1.81 0.17 -4.97 118.95 130.66 1xbf s ARG 125 Ca 0.27 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.76 1xbf s ARG 125 Cb -0.14 -2.34 -0.04 0.00 -0.45 0.00 0.00 34.95 31.99 1xbf s ARG 125 CO 0.17 -0.12 -0.04 0.15 -0.68 0.00 0.00 175.30 174.78 1xbf s LYS 126 N -4.06 0.67 -0.04 3.54 1.02 -1.26 -0.07 119.74 119.53 1xbf s LYS 126 Ca 0.45 -1.20 -0.02 0.00 0.02 0.00 0.00 55.97 55.22 1xbf s LYS 126 Cb -0.03 0.04 0.02 0.00 -0.52 0.00 0.00 37.83 37.34 1xbf s LYS 126 CO 0.27 -0.07 0.10 0.08 -0.92 0.00 0.00 175.35 174.81 1xbf s VAL 127 N -3.55 -0.03 -0.12 3.17 1.01 -0.55 -4.40 120.40 115.93 1xbf s VAL 127 Ca 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1xbf s VAL 127 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 1xbf s VAL 127 CO -0.07 0.04 0.04 -0.36 0.00 0.00 0.00 175.10 174.75 1xbf s PHE 128 N 0.62 3.27 -0.14 5.22 0.08 -0.01 -1.11 117.98 125.91 1xbf s PHE 128 Ca -0.05 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1xbf s PHE 128 Cb -0.07 -1.89 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1xbf s PHE 128 CO -0.03 0.44 -0.12 0.08 -0.10 0.00 0.00 175.22 175.49 1xbf s VAL 129 N -0.59 1.44 -0.20 -0.44 1.01 0.60 -0.41 120.40 121.81 1xbf s VAL 129 Ca 0.11 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 1xbf s VAL 129 Cb -0.12 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1xbf s VAL 129 CO 0.02 0.42 -0.14 -0.75 0.00 0.00 0.00 175.10 174.65 1xbf s LYS 130 N 1.54 3.01 -0.28 2.72 2.47 0.07 -0.93 119.74 128.33 1xbf s LYS 130 Ca 0.05 -0.84 -0.14 0.00 -1.56 0.00 0.00 55.97 53.48 1xbf s LYS 130 Cb -0.13 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.45 1xbf s LYS 130 CO -0.10 -0.26 0.33 0.42 0.16 0.00 0.00 175.35 175.90 1xbf s ILE 131 N 1.33 5.21 -0.03 5.43 -1.09 -1.26 -0.69 121.20 130.09 1xbf s ILE 131 Ca 0.04 0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.91 1xbf s ILE 131 Cb -0.14 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1xbf s ILE 131 CO -0.09 0.17 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.10 1xbf s ILE 132 N 1.99 3.73 0.00 2.92 1.01 -1.26 -5.02 121.20 124.57 1xbf s ILE 132 Ca 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1xbf s ILE 132 Cb -0.16 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.74 1xbf s ILE 132 CO 0.10 0.50 0.40 0.00 0.00 0.00 0.00 174.94 175.94