#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbf s VAL 4 N 0.00 0.70 -0.33 1.61 1.01 -1.26 -4.74 120.40 117.39 1xbf s VAL 4 Ca 0.00 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1xbf s VAL 4 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1xbf s VAL 4 CO 0.00 -0.01 0.33 -0.63 0.00 0.00 0.00 175.10 174.79 1xbf s ILE 5 N -0.63 5.20 -0.19 2.22 1.01 -0.82 -4.93 121.20 123.05 1xbf s ILE 5 Ca -0.01 0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.63 1xbf s ILE 5 Cb -0.06 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1xbf s ILE 5 CO 0.00 -0.02 0.10 -1.61 0.00 0.00 0.00 174.94 173.41 1xbf s GLU 6 N 1.95 4.08 0.04 2.79 2.02 -1.26 -0.88 118.70 127.44 1xbf s GLU 6 Ca 0.11 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 54.87 1xbf s GLU 6 Cb -0.17 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.71 1xbf s GLU 6 CO 0.11 0.28 -0.09 0.71 0.02 0.00 0.00 175.26 176.29 1xbf s TYR 7 N 0.38 2.80 -0.12 1.61 1.51 -0.08 -4.96 117.35 118.49 1xbf s TYR 7 Ca 0.06 -0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 55.96 1xbf s TYR 7 Cb -0.12 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1xbf s TYR 7 CO -0.01 0.37 0.06 -1.12 -1.11 0.00 0.00 175.55 173.74 1xbf s SER 8 N -1.64 5.74 -0.04 2.29 0.01 -1.26 -1.56 113.70 117.24 1xbf s SER 8 Ca 0.18 0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.72 1xbf s SER 8 Cb -0.11 -1.80 0.00 0.00 0.21 0.00 0.00 66.02 64.33 1xbf s SER 8 CO 0.09 0.34 -0.12 -0.76 0.41 0.00 0.00 173.24 173.20 1xbf s LEU 9 N -0.65 1.77 -0.44 2.44 1.43 0.34 -4.97 118.68 118.59 1xbf s LEU 9 Ca 0.12 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1xbf s LEU 9 Cb -0.12 -0.76 0.08 0.00 0.03 0.00 0.00 46.19 45.43 1xbf s LEU 9 CO 0.02 0.08 0.31 -0.54 0.23 0.00 0.00 176.35 176.46 1xbf s LYS 10 N 0.29 2.72 0.58 1.70 3.01 -1.26 -0.03 119.74 126.76 1xbf s LYS 10 Ca -0.07 -1.46 -0.07 0.00 -1.01 0.00 0.00 55.97 53.37 1xbf s LYS 10 Cb -0.12 -3.91 -0.01 0.00 -1.01 0.00 0.00 37.83 32.78 1xbf s LYS 10 CO 0.02 -1.00 0.91 0.95 0.51 0.00 0.00 175.35 176.73 1xbf s THR 11 N 1.49 4.04 0.00 2.17 -4.23 -0.85 -4.96 115.64 113.30 1xbf s THR 11 Ca 0.03 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1xbf s THR 11 Cb -0.24 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.01 1xbf s THR 11 CO 0.03 -0.64 0.00 -1.54 -0.54 0.00 0.00 174.62 171.93 1xbf n SER 12 N -2.57 0.00 -4.72 3.99 3.41 -1.26 -3.44 113.62 109.02 1xbf n SER 12 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.32 1xbf n SER 12 Cb 0.57 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.62 1xbf n SER 12 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xbf s ASN 13 N 0.24 3.97 0.23 4.04 3.84 -1.26 -2.68 114.94 123.32 1xbf s ASN 13 Ca 0.00 2.25 -0.11 0.00 0.21 0.00 0.00 52.86 55.20 1xbf s ASN 13 Cb 0.00 -2.58 0.32 0.00 -0.55 0.00 0.00 41.25 38.44 1xbf s ASN 13 CO 0.00 -2.41 1.61 -0.78 -2.79 0.00 0.00 177.10 172.74 1xbf h ASP 14 N -0.73 -0.62 -4.40 -4.21 3.58 -1.94 -3.37 116.42 104.72 1xbf h ASP 14 Ca -0.46 0.21 -0.61 0.00 0.42 0.00 0.00 57.03 56.59 1xbf h ASP 14 Cb 1.28 0.43 -0.30 0.00 1.72 0.00 0.00 39.33 42.47 1xbf h ASP 14 CO 0.48 -0.23 -0.86 -1.81 -2.88 0.00 0.00 179.24 173.94 1xbf s ASP 15 N -5.23 2.47 -0.28 2.28 1.01 -1.26 -2.59 116.67 113.06 1xbf s ASP 15 Ca -0.14 -0.38 -0.25 0.00 0.71 0.00 0.00 52.55 52.49 1xbf s ASP 15 Cb 0.21 -0.31 0.13 0.00 1.01 0.00 0.00 42.92 43.96 1xbf s ASP 15 CO 0.75 0.25 1.05 -1.58 0.21 0.00 0.00 175.17 175.85 1xbf s GLN 16 N -0.46 0.47 -0.35 8.23 0.74 -0.29 -5.00 119.66 123.01 1xbf s GLN 16 Ca 0.07 0.57 -0.12 0.00 0.05 0.00 0.00 55.36 55.94 1xbf s GLN 16 Cb -0.08 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1xbf s GLN 16 CO -0.01 -0.06 0.21 -0.06 -0.55 0.00 0.00 175.29 174.83 1xbf s PHE 17 N 0.27 3.22 -0.30 1.67 0.40 -1.26 -0.34 117.98 121.64 1xbf s PHE 17 Ca 0.03 -0.59 -0.10 0.00 -0.60 0.00 0.00 56.93 55.67 1xbf s PHE 17 Cb -0.05 -2.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.01 1xbf s PHE 17 CO -0.07 -0.50 0.16 0.42 0.70 0.00 0.00 175.22 175.93 1xbf s ILE 18 N 1.64 4.84 -0.35 0.64 1.01 0.26 -4.91 121.20 124.32 1xbf s ILE 18 Ca 0.04 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 1xbf s ILE 18 Cb -0.18 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1xbf s ILE 18 CO 0.08 0.15 1.43 -0.62 0.00 0.00 0.00 174.94 175.98 1xbf s ASP 19 N 1.67 6.42 -0.21 3.58 -1.08 -1.26 -0.72 116.67 125.07 1xbf s ASP 19 Ca 0.06 1.08 0.14 0.00 -0.52 0.00 0.00 52.55 53.32 1xbf s ASP 19 Cb -0.16 -2.54 0.47 0.00 -1.46 0.00 0.00 42.92 39.22 1xbf s ASP 19 CO 0.08 -1.32 1.37 2.30 0.52 0.00 0.00 175.17 178.12 1xbf n ILE 20 N 6.74 2.29 -0.24 4.11 -5.35 -0.25 -4.71 119.36 121.95 1xbf n ILE 20 Ca 0.17 -2.32 -0.01 0.00 -0.27 0.00 0.00 62.75 60.32 1xbf n ILE 20 Cb 0.47 -0.27 0.10 0.00 -1.74 0.00 0.00 39.64 38.20 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 1.13 0.96 -0.47 7.28 2.02 -1.88 -1.95 112.91 120.00 1xbf h THR 21 Ca 0.07 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1xbf h THR 21 Cb 1.39 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 1xbf h THR 21 CO 0.22 0.13 -0.10 0.78 0.37 0.00 0.00 175.52 176.91 1xbf h ASN 22 N 0.69 0.84 -0.88 4.18 -0.26 -1.93 -0.97 115.58 117.25 1xbf h ASN 22 Ca 0.31 -0.26 0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1xbf h ASN 22 Cb 0.21 -0.23 -0.04 0.00 -1.06 0.00 0.00 38.32 37.19 1xbf h ASN 22 CO -0.19 0.97 0.58 -0.07 -1.06 0.00 0.00 177.43 177.66 1xbf h LEU 23 N 0.77 1.01 -0.17 1.61 4.07 -1.75 0.23 115.31 121.07 1xbf h LEU 23 Ca 0.13 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1xbf h LEU 23 Cb 0.61 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1xbf h LEU 23 CO 0.04 0.73 -0.02 0.58 -1.08 0.00 0.00 178.44 178.69 1xbf h VAL 24 N 1.19 1.27 -0.53 1.22 2.07 -0.94 -1.44 116.25 119.08 1xbf h VAL 24 Ca 0.33 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1xbf h VAL 24 Cb -0.12 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1xbf h VAL 24 CO -0.08 0.27 0.35 0.11 0.02 0.00 0.00 177.57 178.25 1xbf h LYS 25 N 0.04 0.69 -0.34 1.57 1.57 -0.81 -0.23 116.57 119.06 1xbf h LYS 25 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xbf h LYS 25 Cb 0.42 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1xbf h LYS 25 CO 0.01 0.46 0.21 -0.22 -0.57 0.00 0.00 179.45 179.35 1xbf h LYS 26 N 0.72 0.45 -0.27 3.15 3.64 -0.22 0.54 116.57 124.57 1xbf h LYS 26 Ca 0.19 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1xbf h LYS 26 Cb -0.08 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1xbf h LYS 26 CO -0.04 0.32 -0.12 0.00 -2.27 0.00 0.00 179.45 177.34 1xbf h ALA 27 N 1.10 1.28 0.12 5.00 0.00 -0.13 -1.65 119.26 124.99 1xbf h ALA 27 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xbf h ALA 27 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xbf h ALA 27 CO -0.02 0.48 -0.06 0.28 0.00 0.00 0.00 179.25 179.92 1xbf h VAL 28 N 0.42 1.04 -0.76 0.00 2.07 -0.38 -1.29 116.25 117.36 1xbf h VAL 28 Ca 0.08 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1xbf h VAL 28 Cb 0.48 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1xbf h VAL 28 CO 0.03 0.16 0.50 0.44 0.02 0.00 0.00 177.57 178.72 1xbf h ASP 29 N -0.48 0.86 0.75 0.57 3.32 -0.77 -1.97 116.42 118.70 1xbf h ASP 29 Ca -0.02 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1xbf h ASP 29 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xbf h ASP 29 CO 0.03 0.61 -0.48 -0.08 -1.72 0.00 0.00 179.24 177.60 1xbf h GLU 30 N 1.01 0.00 -0.10 3.56 4.81 -1.23 -3.11 114.58 119.52 1xbf h GLU 30 Ca 0.28 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.39 1xbf h GLU 30 Cb -0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1xbf h GLU 30 CO -0.07 0.48 -0.51 0.66 -0.73 0.00 0.00 179.01 178.84 1xbf h SER 31 N 0.00 0.29 0.00 1.04 4.64 -0.45 -3.47 113.55 115.60 1xbf h SER 31 Ca -0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1xbf h SER 31 Cb 0.98 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1xbf h SER 31 CO 0.06 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.38 1xbf n GLY 32 N 0.06 2.99 3.60 -0.77 0.00 -1.11 -5.03 105.19 104.93 1xbf n GLY 32 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1xbf n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xbf n VAL 33 N -2.00 1.72 -0.03 1.61 0.24 -1.26 -4.96 118.33 113.65 1xbf n VAL 33 Ca 0.00 -0.25 -0.04 0.00 -2.04 0.00 0.00 64.34 62.00 1xbf n VAL 33 Cb 0.00 -1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 31.32 1xbf n VAL 33 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1xbf n SER 34 N -2.30 3.48 -3.72 -1.34 2.88 -1.26 -4.31 113.62 107.06 1xbf n SER 34 Ca 0.12 -0.03 -0.20 0.00 -1.33 0.00 0.00 58.87 57.43 1xbf n SER 34 Cb 0.51 0.09 -0.18 0.00 -0.75 0.00 0.00 64.21 63.88 1xbf n SER 34 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1xbf s ASP 35 N -4.43 1.17 0.00 -3.46 1.11 -1.26 0.43 116.67 110.23 1xbf s ASP 35 Ca -0.08 0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.67 1xbf s ASP 35 Cb 0.02 -0.24 0.00 0.00 1.07 0.00 0.00 42.92 43.77 1xbf s ASP 35 CO 0.19 -0.21 0.00 0.61 1.18 0.00 0.00 175.17 176.93 1xbf n GLY 36 N 5.09 -0.94 3.24 0.21 0.00 -0.83 -4.85 105.19 107.12 1xbf n GLY 36 Ca -0.08 0.67 -0.06 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.42 -0.23 4.61 0.00 -0.15 -1.41 121.76 122.16 1xbf s ALA 38 Ca 0.00 1.56 -0.08 0.00 0.00 0.00 0.00 51.96 53.44 1xbf s ALA 38 Cb 0.00 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1xbf s ALA 38 CO 0.00 -0.96 0.08 0.08 0.00 0.00 0.00 175.76 174.96 1xbf s VAL 39 N 2.68 4.57 -0.25 0.00 1.01 -0.01 -0.96 120.40 127.43 1xbf s VAL 39 Ca 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1xbf s VAL 39 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1xbf s VAL 39 CO -0.15 0.37 0.04 -0.69 0.00 0.00 0.00 175.10 174.66 1xbf s VAL 40 N 1.20 3.96 -0.06 2.92 1.01 -0.44 -1.17 120.40 127.82 1xbf s VAL 40 Ca 0.05 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1xbf s VAL 40 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1xbf s VAL 40 CO 0.04 0.31 -0.23 0.12 0.00 0.00 0.00 175.10 175.33 1xbf s PHE 41 N 1.55 2.31 -0.30 5.22 2.19 0.56 -1.94 117.98 127.57 1xbf s PHE 41 Ca 0.05 -0.74 -0.08 0.00 0.33 0.00 0.00 56.93 56.50 1xbf s PHE 41 Cb -0.15 -1.53 0.00 0.00 -1.31 0.00 0.00 43.02 40.03 1xbf s PHE 41 CO 0.01 -0.25 0.11 0.00 1.83 0.00 0.00 175.22 176.92 1xbf n PRO 43 N 4.91 1.42 -4.74 0.00 -0.04 -1.26 -4.86 135.00 130.43 1xbf n PRO 43 Ca -0.14 -1.00 -0.27 0.00 -0.04 0.00 0.00 63.50 62.05 1xbf n PRO 43 Cb 0.48 -1.39 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.10 1.91 -1.48 0.54 3.76 -1.26 -5.03 115.29 112.64 1xbf s HIS 44 Ca 0.19 -0.38 0.27 0.00 -0.15 0.00 0.00 55.06 54.99 1xbf s HIS 44 Cb 0.16 -1.15 0.89 0.00 1.11 0.00 0.00 32.58 33.59 1xbf s HIS 44 CO 0.03 0.08 1.66 0.25 -0.85 0.00 0.00 174.74 175.91 1xbf n THR 45 N 1.93 0.00 -1.14 1.30 -2.24 -1.26 -3.73 114.28 109.13 1xbf n THR 45 Ca -0.17 -0.06 0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1xbf n THR 45 Cb 0.53 0.13 0.19 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.02 2.10 -4.00 4.28 -2.24 -1.26 -4.20 114.28 107.93 1xbf n THR 46 Ca 0.11 -2.32 -0.10 0.00 -2.27 0.00 0.00 64.05 59.47 1xbf n THR 46 Cb 0.32 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.94 -0.04 0.00 6.98 0.00 -1.24 -2.75 121.76 121.76 1xbf s ALA 47 Ca 0.37 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1xbf s ALA 47 Cb 0.32 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.49 1xbf s ALA 47 CO 0.03 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1xbf n GLY 48 N -0.33 2.64 2.95 0.00 0.00 -0.87 -4.72 105.19 104.86 1xbf n GLY 48 Ca -0.03 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.83 0.52 0.18 -0.61 -1.09 -0.30 -0.88 121.20 116.20 1xbf s ILE 49 Ca 0.00 -0.22 -0.09 0.00 -2.23 0.00 0.00 60.65 58.11 1xbf s ILE 49 Cb 0.00 -0.48 -0.01 0.00 -1.58 0.00 0.00 42.46 40.39 1xbf s ILE 49 CO 0.00 0.18 0.32 0.28 -1.23 0.00 0.00 174.94 174.48 1xbf s THR 50 N 0.25 0.05 -0.12 2.92 -1.32 -0.56 -4.17 115.64 112.68 1xbf s THR 50 Ca -0.03 -1.41 0.01 0.00 -1.21 0.00 0.00 61.69 59.05 1xbf s THR 50 Cb -0.07 -1.95 0.02 0.00 -1.51 0.00 0.00 72.50 68.99 1xbf s THR 50 CO -0.00 -0.21 -0.16 -0.63 -2.21 0.00 0.00 174.62 171.41 1xbf s ILE 51 N -3.99 1.58 0.08 5.08 1.01 -1.26 0.18 121.20 123.88 1xbf s ILE 51 Ca 0.20 -0.68 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 1xbf s ILE 51 Cb 0.03 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 41.05 1xbf s ILE 51 CO 0.02 0.46 0.15 -3.20 0.00 0.00 0.00 174.94 172.37 1xbf n ASN 52 N 4.37 -0.42 -4.71 3.58 2.85 -0.75 -4.92 115.26 115.27 1xbf n ASN 52 Ca -0.18 -1.33 -0.62 0.00 -0.11 0.00 0.00 54.58 52.33 1xbf n ASN 52 Cb 0.51 0.72 -0.09 0.00 1.24 0.00 0.00 39.78 42.16 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 -0.11 0.51 -0.31 1.20 4.07 -1.25 -0.94 120.64 123.82 1xbf n GLU 53 Ca -0.01 0.19 0.09 0.00 -0.06 0.00 0.00 57.16 57.36 1xbf n GLU 53 Cb 0.12 -1.76 0.25 0.00 -0.06 0.00 0.00 31.44 29.99 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 4.24 3.57 -0.05 4.31 0.23 0.87 -4.70 115.26 123.73 1xbf n ASN 54 Ca 0.28 -2.06 -0.11 0.00 -0.53 0.00 0.00 54.58 52.16 1xbf n ASN 54 Cb 0.04 -0.39 -0.04 0.00 -2.08 0.00 0.00 39.78 37.32 1xbf n ASN 54 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xbf n ALA 55 N 1.07 1.99 -2.57 -2.53 0.00 -1.26 -4.96 120.51 112.24 1xbf n ALA 55 Ca 0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 1xbf n ALA 55 Cb 0.56 0.23 -0.07 0.00 0.00 0.00 0.00 19.45 20.18 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 -6.14 6.43 0.54 0.00 -1.08 -1.26 -4.96 116.67 110.20 1xbf s ASP 56 Ca -0.18 0.14 0.22 0.00 -0.52 0.00 0.00 52.55 52.21 1xbf s ASP 56 Cb 0.05 -2.33 1.44 0.00 -1.46 0.00 0.00 42.92 40.62 1xbf s ASP 56 CO 0.24 -0.60 2.11 -0.65 0.52 0.00 0.00 175.17 176.79 1xbf h PRO 57 N 8.47 0.00 0.00 4.34 0.11 -1.93 -2.15 132.00 140.84 1xbf h PRO 57 Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1xbf h PRO 57 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xbf h PRO 57 CO 0.84 0.00 -0.10 -0.44 -0.21 0.00 0.00 178.00 178.09 1xbf h ASP 58 N 0.00 0.00 -0.42 -2.05 3.32 -1.98 -2.44 116.42 112.85 1xbf h ASP 58 Ca 0.08 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 1xbf h ASP 58 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1xbf h ASP 58 CO -0.00 0.10 -0.08 0.58 -1.72 0.00 0.00 179.24 178.11 1xbf h VAL 59 N 0.00 1.27 -0.11 -1.35 2.07 -1.77 0.16 116.25 116.52 1xbf h VAL 59 Ca -0.00 -1.17 -0.15 0.00 0.82 0.00 0.00 66.70 66.19 1xbf h VAL 59 Cb 0.47 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1xbf h VAL 59 CO 0.01 0.40 -0.59 0.71 0.02 0.00 0.00 177.57 178.12 1xbf h THR 60 N 0.61 1.36 -0.58 2.57 1.35 -1.67 -1.81 112.91 114.74 1xbf h THR 60 Ca 0.11 -1.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.02 1xbf h THR 60 Cb 0.61 1.92 -0.03 0.00 -1.73 0.00 0.00 68.15 68.92 1xbf h THR 60 CO 0.04 0.58 0.22 -0.09 -0.25 0.00 0.00 175.52 176.02 1xbf h ARG 61 N 0.28 0.88 -0.26 4.72 1.12 -1.15 -1.51 114.38 118.45 1xbf h ARG 61 Ca -0.00 -0.17 -0.09 0.00 -1.11 0.00 0.00 59.98 58.61 1xbf h ARG 61 Cb 1.11 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.92 1xbf h ARG 61 CO 0.10 0.76 -0.23 -0.44 -3.11 0.00 0.00 179.97 177.05 1xbf h ASP 62 N 0.81 0.49 -0.12 -3.80 3.32 -0.46 -1.15 116.42 115.51 1xbf h ASP 62 Ca 0.19 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1xbf h ASP 62 Cb 0.22 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1xbf h ASP 62 CO -0.01 0.72 -0.05 0.40 -1.72 0.00 0.00 179.24 178.58 1xbf h ILE 63 N 0.44 1.31 0.01 0.35 2.04 -1.05 -2.01 117.51 118.60 1xbf h ILE 63 Ca 0.07 -1.06 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1xbf h ILE 63 Cb 0.64 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1xbf h ILE 63 CO 0.05 0.31 -0.00 -0.07 0.00 0.00 0.00 178.15 178.43 1xbf h LEU 64 N -0.10 -0.01 -0.50 1.44 3.38 -1.14 -0.97 115.31 117.40 1xbf h LEU 64 Ca 0.03 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1xbf h LEU 64 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1xbf h LEU 64 CO 0.02 0.06 0.06 0.58 0.09 0.00 0.00 178.44 179.25 1xbf h VAL 65 N -0.08 1.25 0.00 1.22 2.07 -1.28 -1.55 116.25 117.88 1xbf h VAL 65 Ca -0.00 -0.97 -0.13 0.00 0.82 0.00 0.00 66.70 66.41 1xbf h VAL 65 Cb 0.08 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1xbf h VAL 65 CO 0.00 0.35 -0.63 0.78 0.02 0.00 0.00 177.57 178.09 1xbf h ASN 66 N 0.72 0.00 -0.30 0.57 2.35 -1.35 0.24 115.58 117.81 1xbf h ASN 66 Ca 0.15 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 1xbf h ASN 66 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1xbf h ASN 66 CO 0.01 0.63 -0.29 0.25 -1.65 0.00 0.00 177.43 176.39 1xbf h LEU 67 N 0.00 0.84 -0.77 1.61 5.85 -1.08 -2.20 115.31 119.56 1xbf h LEU 67 Ca -0.01 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 1xbf h LEU 67 Cb 1.14 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1xbf h LEU 67 CO 0.08 1.07 0.16 -0.78 -0.34 0.00 0.00 178.44 178.63 1xbf h ASP 68 N 0.69 1.04 -0.57 1.25 3.58 -0.79 -0.06 116.42 121.55 1xbf h ASP 68 Ca 0.08 -0.22 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 1xbf h ASP 68 Cb 0.83 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1xbf h ASP 68 CO 0.07 1.00 0.25 0.50 -2.88 0.00 0.00 179.24 178.17 1xbf h LYS 69 N 1.04 0.84 -0.01 0.28 3.11 -0.61 -0.57 116.57 120.65 1xbf h LYS 69 Ca 0.22 -0.14 -0.23 0.00 -2.81 0.00 0.00 60.65 57.69 1xbf h LYS 69 Cb 0.37 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 1xbf h LYS 69 CO 0.00 0.71 -0.94 0.28 -2.81 0.00 0.00 179.45 176.70 1xbf h VAL 70 N 0.78 1.38 -2.51 2.00 2.07 -1.27 -3.37 116.25 115.33 1xbf h VAL 70 Ca 0.19 -2.40 -0.60 0.00 0.82 0.00 0.00 66.70 64.72 1xbf h VAL 70 Cb 0.17 2.38 -0.41 0.00 -1.52 0.00 0.00 31.29 31.91 1xbf h VAL 70 CO -0.02 0.72 -0.72 0.49 0.02 0.00 0.00 177.57 178.06 1xbf n PHE 71 N -3.77 2.25 -1.50 1.57 3.72 -0.05 -5.11 117.46 114.57 1xbf n PHE 71 Ca -0.07 -4.00 -0.37 0.00 -0.05 0.00 0.00 57.45 52.96 1xbf n PHE 71 Cb 0.83 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.88 1xbf n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1xbf n PRO 72 N 1.62 1.46 -0.80 -1.08 -0.04 -0.23 -4.53 135.00 131.40 1xbf n PRO 72 Ca 0.25 -2.06 -0.14 0.00 -0.04 0.00 0.00 63.50 61.51 1xbf n PRO 72 Cb 0.42 -3.24 0.04 0.00 -0.04 0.00 0.00 33.50 30.67 1xbf n PRO 72 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1xbf n ASN 83 N 10.53 5.94 0.20 3.54 6.94 -1.26 -4.72 115.26 136.44 1xbf n ASN 83 Ca 0.47 -2.94 0.14 0.00 -0.02 0.00 0.00 54.58 52.24 1xbf n ASN 83 Cb 0.43 -1.01 0.58 0.00 -2.36 0.00 0.00 39.78 37.42 1xbf n ASN 83 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1xbf h SER 84 N 1.28 0.00 -0.24 0.53 4.64 -2.01 -2.22 113.55 115.53 1xbf h SER 84 Ca 0.25 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 1xbf h SER 84 Cb 1.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1xbf h SER 84 CO 0.63 0.00 -0.30 1.12 -0.87 0.00 0.00 176.83 177.41 1xbf h HIS 85 N 0.00 0.87 -0.41 4.77 2.07 -1.90 -1.50 115.15 119.05 1xbf h HIS 85 Ca 0.00 -0.23 -0.13 0.00 -2.85 0.00 0.00 60.37 57.17 1xbf h HIS 85 Cb 0.43 -0.20 -0.01 0.00 2.57 0.00 0.00 27.41 30.20 1xbf h HIS 85 CO 0.00 0.96 -0.25 0.00 -3.07 0.00 0.00 177.93 175.57 1xbf h ALA 86 N 1.02 0.77 -0.53 6.11 0.00 -1.67 -2.42 119.26 122.55 1xbf h ALA 86 Ca 0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1xbf h ALA 86 Cb 0.83 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1xbf h ALA 86 CO 0.07 0.65 0.25 0.45 0.00 0.00 0.00 179.25 180.67 1xbf h HIS 87 N 0.74 0.77 -0.38 0.00 3.86 -1.27 0.03 115.15 118.89 1xbf h HIS 87 Ca 0.09 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.12 1xbf h HIS 87 Cb 0.80 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 1xbf h HIS 87 CO 0.05 0.60 -0.33 0.97 0.86 0.00 0.00 177.93 180.08 1xbf h ILE 88 N 0.71 1.28 -0.34 2.45 2.10 -1.23 -2.72 117.51 119.75 1xbf h ILE 88 Ca 0.18 -1.50 -0.06 0.00 1.08 0.00 0.00 64.86 64.56 1xbf h ILE 88 Cb 0.13 1.38 -0.02 0.00 -1.09 0.00 0.00 36.82 37.23 1xbf h ILE 88 CO -0.02 0.50 -0.03 0.11 -1.08 0.00 0.00 178.15 177.63 1xbf h LYS 89 N 0.71 0.54 -0.73 2.19 1.57 -1.28 -1.66 116.57 117.90 1xbf h LYS 89 Ca 0.07 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1xbf h LYS 89 Cb 0.92 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1xbf h LYS 89 CO 0.09 0.59 0.34 0.00 -0.57 0.00 0.00 179.45 179.89 1xbf h ALA 90 N 1.46 0.94 -0.00 3.86 0.00 -0.85 -2.53 119.26 122.14 1xbf h ALA 90 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1xbf h ALA 90 Cb 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1xbf h ALA 90 CO 0.02 0.51 -0.54 0.77 0.00 0.00 0.00 179.25 180.00 1xbf h SER 91 N 1.02 0.00 0.00 0.00 0.02 -1.12 -0.09 113.55 113.38 1xbf h SER 91 Ca 0.25 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1xbf h SER 91 Cb 0.13 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xbf h SER 91 CO -0.03 0.54 0.00 0.18 -1.14 0.00 0.00 176.83 176.38 1xbf n LEU 92 N -3.90 0.43 -3.53 5.07 4.77 -0.67 -4.80 117.00 114.37 1xbf n LEU 92 Ca -0.01 -0.21 -0.15 0.00 -0.03 0.00 0.00 56.01 55.60 1xbf n LEU 92 Cb 0.55 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1xbf n LEU 92 CO 0.41 0.11 0.54 -0.83 -1.33 0.00 0.00 177.39 176.28 1xbf s GLY 94 N -0.62 -0.49 0.15 -0.72 0.00 -0.05 -5.11 107.32 100.48 1xbf s GLY 94 Ca 0.00 1.45 0.27 0.00 0.00 0.00 0.00 44.72 46.44 1xbf s GLY 94 CO 0.00 0.91 1.79 -1.14 0.00 0.00 0.00 173.10 174.66 1xbf n SER 95 N 0.74 0.59 -3.51 1.64 3.41 -1.26 -1.15 113.62 114.08 1xbf n SER 95 Ca -0.16 0.53 -0.10 0.00 -0.26 0.00 0.00 58.87 58.88 1xbf n SER 95 Cb 0.58 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 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 -4.09 -0.45 0.04 4.04 1.04 -1.26 -1.25 113.70 111.77 1xbf s SER 96 Ca 0.11 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.46 1xbf s SER 96 Cb 0.14 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.76 1xbf s SER 96 CO 0.59 -0.88 -0.04 -1.10 0.98 0.00 0.00 173.24 172.79 1xbf s GLN 97 N -3.52 0.52 -0.02 4.02 -1.52 -0.82 -4.90 119.66 113.41 1xbf s GLN 97 Ca 0.04 -0.98 0.08 0.00 -1.95 0.00 0.00 55.36 52.55 1xbf s GLN 97 Cb -0.01 0.09 -0.02 0.00 -0.22 0.00 0.00 33.01 32.85 1xbf s GLN 97 CO -0.09 -0.07 -0.25 -1.14 -0.25 0.00 0.00 175.29 173.49 1xbf s GLN 98 N -2.85 2.14 -0.05 2.91 0.74 -1.26 -1.32 119.66 119.97 1xbf s GLN 98 Ca -0.02 -0.92 0.02 0.00 0.05 0.00 0.00 55.36 54.49 1xbf s GLN 98 Cb -0.00 -2.06 0.01 0.00 1.10 0.00 0.00 33.01 32.06 1xbf s GLN 98 CO -0.05 0.56 -0.09 0.42 -0.55 0.00 0.00 175.29 175.57 1xbf s ILE 99 N -0.61 0.89 0.15 -2.34 1.09 -0.14 -4.99 121.20 115.25 1xbf s ILE 99 Ca 0.10 -0.36 -0.30 0.00 -1.10 0.00 0.00 60.65 58.99 1xbf s ILE 99 Cb -0.10 -0.82 -0.08 0.00 -1.06 0.00 0.00 42.46 40.40 1xbf s ILE 99 CO -0.01 0.29 1.25 -0.63 -0.10 0.00 0.00 174.94 175.75 1xbf s ILE 100 N 0.58 3.55 -0.24 2.92 1.01 -1.26 -0.98 121.20 126.77 1xbf s ILE 100 Ca -0.10 1.22 -0.09 0.00 0.00 0.00 0.00 60.65 61.67 1xbf s ILE 100 Cb -0.13 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1xbf s ILE 100 CO 0.02 0.15 0.12 -0.63 0.00 0.00 0.00 174.94 174.60 1xbf s ILE 101 N 0.41 4.90 -0.03 2.92 1.01 -0.50 0.64 121.20 130.55 1xbf s ILE 101 Ca 0.57 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1xbf s ILE 101 Cb -0.33 -3.29 0.03 0.00 0.01 0.00 0.00 42.46 38.88 1xbf s ILE 101 CO 0.34 0.34 0.03 -0.70 0.00 0.00 0.00 174.94 174.95 1xbf s GLU 102 N 1.31 0.04 -1.30 2.79 2.12 -0.01 -1.96 118.70 121.70 1xbf s GLU 102 Ca 0.06 0.23 -0.04 0.00 0.36 0.00 0.00 54.97 55.58 1xbf s GLU 102 Cb -0.15 -0.42 0.01 0.00 0.26 0.00 0.00 34.13 33.84 1xbf s GLU 102 CO 0.05 -0.22 1.02 0.09 -0.54 0.00 0.00 175.26 175.65 1xbf n ASN 103 N 4.61 -3.54 -3.61 -1.70 3.02 0.18 -1.79 115.26 112.44 1xbf n ASN 103 Ca -0.18 -0.64 -0.27 0.00 -0.03 0.00 0.00 54.58 53.46 1xbf n ASN 103 Cb 0.50 -4.84 0.01 0.00 -0.61 0.00 0.00 39.78 34.84 1xbf n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xbf n GLY 104 N -1.52 -0.49 3.20 7.41 0.00 0.17 -4.96 105.19 109.00 1xbf n GLY 104 Ca -0.17 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1xbf n GLY 104 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xbf s LYS 105 N -6.29 0.41 0.03 1.61 2.47 -0.74 -4.83 119.74 112.40 1xbf s LYS 105 Ca 0.52 0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.96 1xbf s LYS 105 Cb -0.27 0.19 -0.07 0.00 -1.46 0.00 0.00 37.83 36.22 1xbf s LYS 105 CO 0.64 -0.06 1.62 -0.51 0.16 0.00 0.00 175.35 177.20 1xbf s LEU 106 N -0.06 4.35 -1.41 5.43 1.43 -1.26 -0.83 118.68 126.33 1xbf s LEU 106 Ca -0.02 2.38 -0.13 0.00 -1.03 0.00 0.00 54.13 55.33 1xbf s LEU 106 Cb -0.03 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.71 1xbf s LEU 106 CO 0.01 -0.87 2.11 1.17 0.23 0.00 0.00 176.35 179.00 1xbf n LYS 107 N 5.92 3.05 -3.96 1.70 4.81 0.21 -4.91 118.16 124.97 1xbf n LYS 107 Ca 0.16 -2.86 -0.23 0.00 -0.87 0.00 0.00 58.31 54.51 1xbf n LYS 107 Cb 0.41 -3.22 -0.03 0.00 0.02 0.00 0.00 35.03 32.22 1xbf n LYS 107 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1xbf s LEU 108 N 1.79 4.33 0.88 3.14 1.43 -1.26 -4.62 118.68 124.36 1xbf s LEU 108 Ca 0.46 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 1xbf s LEU 108 Cb 0.12 -2.88 0.12 0.00 0.03 0.00 0.00 46.19 43.58 1xbf s LEU 108 CO -0.06 -0.01 1.09 -0.83 0.23 0.00 0.00 176.35 176.77 1xbf s GLY 109 N -3.62 1.62 0.26 -3.19 0.00 -1.26 -4.92 107.32 96.21 1xbf s GLY 109 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 1xbf s GLY 109 CO 0.29 0.41 1.79 -0.84 0.00 0.00 0.00 173.10 174.74 1xbf h THR 110 N -1.49 0.81 -0.46 0.90 2.02 -2.02 -2.50 112.91 110.18 1xbf h THR 110 Ca -0.49 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1xbf h THR 110 Cb 1.28 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1xbf h THR 110 CO 0.55 0.13 0.00 0.79 0.37 0.00 0.00 175.52 177.36 1xbf n TRP 111 N -4.80 1.18 -3.18 3.16 7.02 -1.26 -4.98 117.44 114.58 1xbf n TRP 111 Ca 0.16 -0.69 -0.40 0.00 -1.02 0.00 0.00 57.50 55.56 1xbf n TRP 111 Cb 0.38 -0.25 -0.06 0.00 -2.42 0.00 0.00 31.31 28.96 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 -2.09 4.20 0.14 -0.99 -0.21 -0.94 -0.09 119.66 119.68 1xbf s GLN 112 Ca 0.43 0.52 0.11 0.00 0.02 0.00 0.00 55.36 56.44 1xbf s GLN 112 Cb 0.30 -3.57 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 1xbf s GLN 112 CO 0.17 -0.20 -0.26 0.20 -2.12 0.00 0.00 175.29 173.08 1xbf s GLY 113 N 1.18 1.61 -0.19 3.09 0.00 -0.11 -4.73 107.32 108.16 1xbf s GLY 113 Ca 0.27 -1.51 -0.15 0.00 0.00 0.00 0.00 44.72 43.33 1xbf s GLY 113 CO 0.10 -1.50 0.36 -0.42 0.00 0.00 0.00 173.10 171.64 1xbf s ILE 114 N -1.21 5.24 0.02 0.90 1.01 -1.26 -1.81 121.20 124.09 1xbf s ILE 114 Ca 0.16 0.64 0.09 0.00 0.00 0.00 0.00 60.65 61.53 1xbf s ILE 114 Cb -0.09 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1xbf s ILE 114 CO 0.07 0.29 -0.26 -0.31 0.00 0.00 0.00 174.94 174.73 1xbf s TYR 115 N 1.07 2.31 -0.23 3.97 2.02 0.13 -1.09 117.35 125.54 1xbf s TYR 115 Ca 0.18 -0.42 -0.14 0.00 -0.37 0.00 0.00 57.07 56.31 1xbf s TYR 115 Cb -0.14 -1.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1xbf s TYR 115 CO 0.07 0.05 0.32 0.12 -1.57 0.00 0.00 175.55 174.55 1xbf s PHE 116 N -0.72 3.33 -0.51 2.71 2.19 0.10 -1.50 117.98 123.58 1xbf s PHE 116 Ca 0.11 0.46 -0.13 0.00 0.33 0.00 0.00 56.93 57.70 1xbf s PHE 116 Cb -0.10 -2.46 0.13 0.00 -1.31 0.00 0.00 43.02 39.28 1xbf s PHE 116 CO 0.01 -0.03 0.44 0.95 1.83 0.00 0.00 175.22 178.41 1xbf s THR 117 N 1.38 4.81 -0.10 0.12 -4.23 -0.06 -0.58 115.64 116.99 1xbf s THR 117 Ca 0.15 -1.61 -0.27 0.00 -1.18 0.00 0.00 61.69 58.77 1xbf s THR 117 Cb -0.15 -4.11 -0.02 0.00 1.34 0.00 0.00 72.50 69.56 1xbf s THR 117 CO 0.07 -0.83 0.90 -0.70 -0.54 0.00 0.00 174.62 173.52 1xbf s GLU 118 N 1.50 4.41 0.00 3.99 2.56 0.54 -2.04 118.70 129.66 1xbf s GLU 118 Ca 0.04 1.19 0.00 0.00 0.00 0.00 0.00 54.97 56.20 1xbf s GLU 118 Cb -0.28 -3.52 0.00 0.00 2.00 0.00 0.00 34.13 32.32 1xbf s GLU 118 CO 0.02 -0.21 0.51 1.19 -0.56 0.00 0.00 175.26 176.20 1xbf n PHE 119 N 4.70 0.00 -2.70 5.30 3.72 -1.11 -1.14 117.46 126.23 1xbf n PHE 119 Ca 0.05 -0.04 -0.05 0.00 -0.05 0.00 0.00 57.45 57.36 1xbf n PHE 119 Cb 0.50 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.12 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 -0.04 -0.57 -3.12 4.37 2.03 -1.07 -4.64 116.55 113.52 1xbf n ASP 120 Ca 0.00 -2.40 -0.17 0.00 0.52 0.00 0.00 54.79 52.75 1xbf n ASP 120 Cb 0.03 0.38 0.12 0.00 -0.72 0.00 0.00 41.12 40.93 1xbf n ASP 120 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xbf n GLY 121 N -0.71 -1.21 3.76 0.27 0.00 -1.17 -4.69 105.19 101.43 1xbf n GLY 121 Ca -0.03 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.88 1xbf n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xbf s PRO 122 N -4.63 4.66 0.22 1.61 0.04 -1.09 -4.53 135.00 131.27 1xbf s PRO 122 Ca 0.43 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1xbf s PRO 122 Cb -0.01 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 1xbf s PRO 122 CO 0.30 0.45 0.44 1.03 0.04 0.00 0.00 177.00 179.25 1xbf s ARG 123 N -0.77 1.43 -0.52 4.56 0.52 -1.22 -4.96 118.95 117.98 1xbf s ARG 123 Ca 0.40 -1.18 -0.18 0.00 -0.52 0.00 0.00 55.73 54.24 1xbf s ARG 123 Cb -0.23 0.45 0.07 0.00 0.52 0.00 0.00 34.95 35.76 1xbf s ARG 123 CO 0.28 -0.58 0.60 -0.51 0.02 0.00 0.00 175.30 175.11 1xbf s ASP 124 N -2.99 6.20 0.38 0.23 -0.00 -1.26 -2.00 116.67 117.23 1xbf s ASP 124 Ca 0.20 -1.12 0.07 0.00 -0.00 0.00 0.00 52.55 51.70 1xbf s ASP 124 Cb 0.00 -2.27 -0.01 0.00 -0.00 0.00 0.00 42.92 40.64 1xbf s ASP 124 CO 0.05 -0.90 0.46 -0.13 -0.00 0.00 0.00 175.17 174.65 1xbf s ARG 125 N 2.44 2.82 0.02 8.23 1.81 0.96 -4.94 118.95 130.29 1xbf s ARG 125 Ca 0.12 -1.26 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 1xbf s ARG 125 Cb -0.21 -2.64 -0.02 0.00 -0.45 0.00 0.00 34.95 31.62 1xbf s ARG 125 CO 0.10 -0.11 -0.04 0.15 -0.68 0.00 0.00 175.30 174.72 1xbf s LYS 126 N -4.20 0.35 -0.02 3.54 1.02 -1.26 -0.51 119.74 118.66 1xbf s LYS 126 Ca 0.49 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.86 1xbf s LYS 126 Cb -0.08 0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.29 1xbf s LYS 126 CO 0.30 -0.03 -0.04 0.14 -0.92 0.00 0.00 175.35 174.80 1xbf s VAL 127 N -1.45 0.44 -0.07 3.17 -7.23 -0.60 -4.20 120.40 110.46 1xbf s VAL 127 Ca -0.15 -0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 59.85 1xbf s VAL 127 Cb -0.10 -0.43 -0.03 0.00 0.56 0.00 0.00 36.38 36.37 1xbf s VAL 127 CO -0.01 0.17 0.02 -0.36 -0.31 0.00 0.00 175.10 174.61 1xbf s PHE 128 N 0.42 3.21 -0.16 2.82 0.08 0.47 -0.90 117.98 123.91 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 -0.09 -1.79 0.04 0.00 -0.57 0.00 0.00 43.02 40.61 1xbf s PHE 128 CO -0.00 0.50 -0.07 0.08 -0.10 0.00 0.00 175.22 175.64 1xbf s VAL 129 N -0.95 1.21 -0.17 -0.44 1.01 -0.06 -0.32 120.40 120.68 1xbf s VAL 129 Ca 0.15 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1xbf s VAL 129 Cb -0.11 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1xbf s VAL 129 CO 0.04 0.18 -0.11 -0.75 0.00 0.00 0.00 175.10 174.46 1xbf s LYS 130 N 1.60 3.32 -0.17 2.72 2.36 -0.31 -1.95 119.74 127.30 1xbf s LYS 130 Ca 0.01 -0.69 -0.15 0.00 -2.55 0.00 0.00 55.97 52.60 1xbf s LYS 130 Cb -0.15 -2.76 -0.04 0.00 -1.05 0.00 0.00 37.83 33.83 1xbf s LYS 130 CO -0.08 -0.00 0.33 0.42 1.55 0.00 0.00 175.35 177.57 1xbf s ILE 131 N 0.91 5.27 0.13 5.43 -1.09 -1.26 -0.83 121.20 129.75 1xbf s ILE 131 Ca -0.02 0.60 0.08 0.00 -2.23 0.00 0.00 60.65 59.08 1xbf s ILE 131 Cb -0.15 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1xbf s ILE 131 CO -0.00 0.34 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.31 1xbf s ILE 132 N 0.78 3.25 0.00 2.92 1.01 -1.26 -5.01 121.20 122.89 1xbf s ILE 132 Ca 0.17 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1xbf s ILE 132 Cb -0.14 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1xbf s ILE 132 CO 0.06 0.04 0.00 -0.11 0.00 0.00 0.00 174.94 174.93