#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogf s LYS 2 N 0.00 4.33 -0.04 0.03 2.20 -1.26 -4.95 119.74 120.05 1ogf s LYS 2 Ca 0.00 1.99 -0.18 0.00 -0.36 0.00 0.00 55.97 57.43 1ogf s LYS 2 Cb 0.00 -3.37 -0.32 0.00 -1.51 0.00 0.00 37.83 32.63 1ogf s LYS 2 CO 0.00 -0.45 0.82 0.87 -0.36 0.00 0.00 175.35 176.23 1ogf h LYS 3 N 7.14 0.37 -5.87 4.03 1.57 -2.05 -3.48 116.57 118.29 1ogf h LYS 3 Ca -0.41 -0.63 -0.58 0.00 -1.87 0.00 0.00 60.65 57.16 1ogf h LYS 3 Cb 1.20 0.24 -0.10 0.00 0.08 0.00 0.00 32.23 33.65 1ogf h LYS 3 CO 0.87 1.30 -0.55 -1.01 -0.57 0.00 0.00 179.45 179.50 1ogf s HIS 4 N -2.51 2.58 0.00 -1.35 3.76 -1.26 -5.09 115.29 111.42 1ogf s HIS 4 Ca -0.14 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 1ogf s HIS 4 Cb 0.03 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.90 1ogf s HIS 4 CO 0.85 0.31 0.00 0.41 -0.85 0.00 0.00 174.74 175.46 1ogf n GLY 5 N -1.12 -2.88 3.77 -2.22 0.00 -1.26 -4.94 105.19 96.54 1ogf n GLY 5 Ca -0.03 -1.85 -0.40 0.00 0.00 0.00 0.00 46.02 43.74 1ogf n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ogf s ILE 6 N -0.61 2.66 0.25 -0.61 2.07 -1.26 -4.94 121.20 118.76 1ogf s ILE 6 Ca 0.00 0.65 0.03 0.00 -1.41 0.00 0.00 60.65 59.91 1ogf s ILE 6 Cb 0.00 -3.40 -0.01 0.00 0.13 0.00 0.00 42.46 39.18 1ogf s ILE 6 CO 0.00 0.14 1.60 0.25 -1.91 0.00 0.00 174.94 175.02 1ogf h LEU 7 N 3.18 0.37 -9.21 8.50 5.85 -1.99 -3.44 115.31 118.57 1ogf h LEU 7 Ca -0.49 -0.18 -0.56 0.00 0.84 0.00 0.00 57.88 57.49 1ogf h LEU 7 Cb 1.23 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1ogf h LEU 7 CO 0.65 0.81 0.94 0.21 -0.34 0.00 0.00 178.44 180.71 1ogf s ASN 8 N -6.89 6.86 0.12 1.25 3.84 -1.26 -4.93 114.94 113.93 1ogf s ASN 8 Ca -0.05 1.90 -0.20 0.00 0.21 0.00 0.00 52.86 54.71 1ogf s ASN 8 Cb 0.12 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.23 1ogf s ASN 8 CO 0.80 -0.80 1.74 0.77 -2.79 0.00 0.00 177.10 176.82 1ogf h SER 9 N 8.53 0.02 -0.48 -4.21 4.64 -1.99 0.67 113.55 120.73 1ogf h SER 9 Ca -0.32 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1ogf h SER 9 Cb 1.13 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.21 1ogf h SER 9 CO 0.95 0.04 0.24 0.45 -0.87 0.00 0.00 176.83 177.64 1ogf h HIS 10 N 0.11 0.44 -0.55 4.77 3.86 -1.98 -1.73 115.15 120.07 1ogf h HIS 10 Ca 0.08 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 1ogf h HIS 10 Cb 0.07 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1ogf h HIS 10 CO -0.13 0.22 0.12 -0.07 0.86 0.00 0.00 177.93 178.92 1ogf h LEU 11 N 0.47 0.85 -0.85 2.43 3.38 -1.89 -2.59 115.31 117.10 1ogf h LEU 11 Ca 0.21 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ogf h LEU 11 Cb 0.12 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1ogf h LEU 11 CO -0.15 0.87 0.55 0.00 0.09 0.00 0.00 178.44 179.81 1ogf h ALA 12 N 1.01 1.12 -0.80 1.53 0.00 -0.47 0.70 119.26 122.34 1ogf h ALA 12 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ogf h ALA 12 Cb 0.37 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1ogf h ALA 12 CO 0.01 0.42 0.50 0.87 0.00 0.00 0.00 179.25 181.04 1ogf h LYS 13 N 1.09 1.07 -0.13 0.00 1.57 -1.13 0.25 116.57 119.29 1ogf h LYS 13 Ca 0.33 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1ogf h LYS 13 Cb -0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1ogf h LYS 13 CO -0.10 0.73 0.02 0.82 -0.57 0.00 0.00 179.45 180.35 1ogf h ILE 14 N 1.09 1.22 -0.87 1.86 2.04 -0.89 -2.97 117.51 118.98 1ogf h ILE 14 Ca 0.29 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1ogf h ILE 14 Cb -0.08 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1ogf h ILE 14 CO -0.06 0.20 0.46 -0.07 0.00 0.00 0.00 178.15 178.68 1ogf h LEU 15 N -0.01 1.10 -0.99 1.44 3.38 -0.62 -2.58 115.31 117.04 1ogf h LEU 15 Ca 0.04 -0.11 0.26 0.00 0.09 0.00 0.00 57.88 58.16 1ogf h LEU 15 Cb 0.29 -0.28 -0.13 0.00 0.09 0.00 0.00 40.66 40.63 1ogf h LEU 15 CO 0.00 0.90 0.57 0.00 0.09 0.00 0.00 178.44 180.00 1ogf h ALA 16 N 1.25 1.80 -0.01 1.53 0.00 -0.36 -0.93 119.26 122.54 1ogf h ALA 16 Ca 0.30 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1ogf h ALA 16 Cb 0.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ogf h ALA 16 CO -0.05 -0.35 -0.29 -0.25 0.00 0.00 0.00 179.25 178.32 1ogf n ASP 17 N -4.94 0.82 -4.69 0.00 8.00 -0.98 -4.95 116.55 109.81 1ogf n ASP 17 Ca 0.28 -0.68 -0.45 0.00 0.71 0.00 0.00 54.79 54.65 1ogf n ASP 17 Cb 0.80 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.98 1ogf n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ogf n LEU 18 N -0.89 3.55 -4.52 0.64 4.77 -0.36 -5.00 117.00 115.19 1ogf n LEU 18 Ca 0.11 1.05 -0.24 0.00 -0.03 0.00 0.00 56.01 56.90 1ogf n LEU 18 Cb 0.34 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 1ogf n LEU 18 CO 0.28 -0.05 -0.43 -0.83 -1.33 0.00 0.00 177.39 175.02 1ogf s GLY 19 N 1.70 1.81 -0.08 -0.72 0.00 -1.26 -5.03 107.32 103.74 1ogf s GLY 19 Ca 0.80 -1.79 -0.37 0.00 0.00 0.00 0.00 44.72 43.35 1ogf s GLY 19 CO 0.38 -1.87 1.60 1.57 0.00 0.00 0.00 173.10 174.78 1ogf n HIS 20 N -0.65 1.92 -0.25 1.90 -0.00 -1.26 -1.09 115.22 115.79 1ogf n HIS 20 Ca -0.06 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.59 1ogf n HIS 20 Cb 0.59 -2.45 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 1ogf n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ogf n THR 21 N 3.80 0.00 -1.82 3.57 -2.24 -0.16 -5.00 114.28 112.43 1ogf n THR 21 Ca 0.22 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.65 1ogf n THR 21 Cb 0.19 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1ogf n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ogf s ASP 22 N -3.15 4.90 0.09 3.42 1.01 -0.25 -4.52 116.67 118.17 1ogf s ASP 22 Ca 0.00 2.33 0.08 0.00 0.71 0.00 0.00 52.55 55.67 1ogf s ASP 22 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1ogf s ASP 22 CO 0.00 -1.78 -0.20 -0.54 0.21 0.00 0.00 175.17 172.86 1ogf s LYS 23 N -3.59 1.12 0.12 8.23 1.02 -1.26 -0.25 119.74 125.13 1ogf s LYS 23 Ca 0.75 -1.08 0.03 0.00 0.02 0.00 0.00 55.97 55.69 1ogf s LYS 23 Cb -0.29 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 1ogf s LYS 23 CO 0.37 0.31 -0.08 0.96 -0.92 0.00 0.00 175.35 176.00 1ogf s ILE 24 N -1.10 0.90 0.07 2.17 -4.36 -0.89 0.11 121.20 118.10 1ogf s ILE 24 Ca 0.05 -1.98 0.09 0.00 -0.26 0.00 0.00 60.65 58.55 1ogf s ILE 24 Cb -0.10 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.83 1ogf s ILE 24 CO 0.03 -0.81 -0.25 -0.69 0.24 0.00 0.00 174.94 173.46 1ogf s VAL 25 N -3.47 2.07 -0.16 8.37 1.01 -0.28 -1.02 120.40 126.91 1ogf s VAL 25 Ca 0.14 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1ogf s VAL 25 Cb 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1ogf s VAL 25 CO -0.02 0.25 -0.16 -0.63 0.00 0.00 0.00 175.10 174.54 1ogf s ILE 26 N -0.88 2.55 0.22 2.22 1.01 -0.54 -0.03 121.20 125.75 1ogf s ILE 26 Ca 0.11 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 60.05 1ogf s ILE 26 Cb -0.10 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1ogf s ILE 26 CO 0.03 0.52 -0.16 0.00 0.00 0.00 0.00 174.94 175.32 1ogf s ALA 27 N 0.94 2.22 0.81 9.38 0.00 0.43 -1.66 121.76 133.87 1ogf s ALA 27 Ca -0.03 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.13 1ogf s ALA 27 Cb -0.15 -0.14 0.13 0.00 0.00 0.00 0.00 23.12 22.96 1ogf s ALA 27 CO -0.02 0.13 1.13 0.16 0.00 0.00 0.00 175.76 177.16 1ogf s ASP 28 N -3.34 4.07 0.00 0.00 3.84 -0.88 -0.89 116.67 119.46 1ogf s ASP 28 Ca 0.24 0.19 0.01 0.00 -0.00 0.00 0.00 52.55 52.99 1ogf s ASP 28 Cb -0.02 -0.55 0.03 0.00 -1.38 0.00 0.00 42.92 41.00 1ogf s ASP 28 CO 0.09 -2.09 1.01 0.00 -0.00 0.00 0.00 175.17 174.18 1ogf n ALA 29 N -3.22 1.05 0.18 2.11 0.00 -0.12 -3.03 120.51 117.48 1ogf n ALA 29 Ca 0.12 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 1ogf n ALA 29 Cb 0.60 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1ogf n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogf n GLY 30 N -1.42 -0.51 3.74 0.00 0.00 -1.26 -5.03 105.19 100.71 1ogf n GLY 30 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1ogf n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ogf s LEU 31 N -0.94 4.37 0.31 0.99 2.96 -1.17 -4.97 118.68 120.24 1ogf s LEU 31 Ca 0.04 2.71 -0.27 0.00 -0.22 0.00 0.00 54.13 56.38 1ogf s LEU 31 Cb 0.03 -3.62 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1ogf s LEU 31 CO 0.09 -0.78 0.99 -2.16 -1.32 0.00 0.00 176.35 173.16 1ogf s PRO 32 N 0.06 4.59 -0.25 0.98 0.04 -1.26 -4.98 135.00 134.18 1ogf s PRO 32 Ca 0.63 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1ogf s PRO 32 Cb -0.44 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1ogf s PRO 32 CO 0.40 0.25 0.10 0.08 0.04 0.00 0.00 177.00 177.87 1ogf s VAL 33 N -1.44 4.57 0.63 -0.36 1.01 -1.26 -5.08 120.40 118.47 1ogf s VAL 33 Ca 0.48 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 1ogf s VAL 33 Cb -0.23 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1ogf s VAL 33 CO 0.30 0.33 1.10 -2.65 0.00 0.00 0.00 175.10 174.18 1ogf n PRO 34 N 4.84 0.97 -1.81 2.72 -0.02 -1.26 -4.90 135.00 135.55 1ogf n PRO 34 Ca -0.16 0.38 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 1ogf n PRO 34 Cb 0.52 -2.33 -0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1ogf n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ogf s ASP 35 N -1.32 6.35 0.00 2.55 1.01 -1.26 -2.36 116.67 121.63 1ogf s ASP 35 Ca 0.79 3.05 0.00 0.00 0.71 0.00 0.00 52.55 57.10 1ogf s ASP 35 Cb -0.40 -2.67 0.00 0.00 1.01 0.00 0.00 42.92 40.86 1ogf s ASP 35 CO 0.44 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.55 1ogf n GLY 36 N 0.48 2.07 3.65 0.21 0.00 -1.26 -5.02 105.19 105.32 1ogf n GLY 36 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1ogf n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogf s VAL 37 N -2.36 5.16 0.19 1.61 1.01 -1.00 -5.03 120.40 119.98 1ogf s VAL 37 Ca 0.00 0.76 -0.33 0.00 0.00 0.00 0.00 61.98 62.41 1ogf s VAL 37 Cb 0.00 -3.76 -0.13 0.00 0.00 0.00 0.00 36.38 32.49 1ogf s VAL 37 CO 0.00 0.21 1.64 -0.11 0.00 0.00 0.00 175.10 176.84 1ogf n LEU 38 N 4.77 3.56 -4.34 3.92 7.94 -1.26 -4.80 117.00 126.78 1ogf n LEU 38 Ca -0.07 1.08 -0.36 0.00 -1.11 0.00 0.00 56.01 55.55 1ogf n LEU 38 Cb 0.51 -1.50 -0.13 0.00 0.53 0.00 0.00 43.42 42.82 1ogf n LEU 38 CO 0.40 -0.06 -0.33 -0.75 -1.11 0.00 0.00 177.39 175.54 1ogf s LYS 39 N 0.97 3.33 -0.41 1.96 2.20 -1.26 -0.51 119.74 126.01 1ogf s LYS 39 Ca 0.76 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 55.65 1ogf s LYS 39 Cb -0.59 -3.17 0.10 0.00 -1.51 0.00 0.00 37.83 32.66 1ogf s LYS 39 CO 0.36 -0.27 0.21 0.42 -0.36 0.00 0.00 175.35 175.70 1ogf s ILE 40 N 1.50 3.51 -0.36 5.43 1.01 -0.48 -4.98 121.20 126.84 1ogf s ILE 40 Ca 0.05 -1.86 -0.21 0.00 0.00 0.00 0.00 60.65 58.63 1ogf s ILE 40 Cb -0.15 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1ogf s ILE 40 CO -0.00 -0.62 0.64 -0.62 0.00 0.00 0.00 174.94 174.34 1ogf s ASP 41 N 1.92 6.43 0.02 3.58 3.68 -1.26 -1.29 116.67 129.75 1ogf s ASP 41 Ca 0.06 0.14 0.22 0.00 2.13 0.00 0.00 52.55 55.11 1ogf s ASP 41 Cb -0.23 -2.33 -0.02 0.00 -1.45 0.00 0.00 42.92 38.89 1ogf s ASP 41 CO -0.03 -0.60 0.98 0.18 0.13 0.00 0.00 175.17 175.83 1ogf n LEU 42 N 6.06 0.65 -4.58 -1.34 4.77 0.15 -4.95 117.00 117.76 1ogf n LEU 42 Ca -0.01 -0.15 -0.49 0.00 -0.03 0.00 0.00 56.01 55.33 1ogf n LEU 42 Cb 0.49 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1ogf n LEU 42 CO 0.49 0.11 0.72 -1.54 -1.33 0.00 0.00 177.39 175.84 1ogf n SER 43 N -1.81 1.34 -0.07 -1.43 3.41 -1.17 -4.41 113.62 109.47 1ogf n SER 43 Ca 0.02 1.14 -0.11 0.00 -0.26 0.00 0.00 58.87 59.66 1ogf n SER 43 Cb 0.41 -1.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.09 1ogf n SER 43 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ogf n LEU 44 N 2.02 2.13 -3.64 1.04 7.94 0.27 -4.90 117.00 121.85 1ogf n LEU 44 Ca 0.15 0.03 -0.06 0.00 -1.11 0.00 0.00 56.01 55.02 1ogf n LEU 44 Cb 0.24 -0.43 -0.02 0.00 0.53 0.00 0.00 43.42 43.75 1ogf n LEU 44 CO 0.61 0.53 0.68 -1.59 -1.11 0.00 0.00 177.39 176.51 1ogf s LYS 45 N -2.25 1.07 -0.14 1.96 -2.85 -1.02 -5.02 119.74 111.48 1ogf s LYS 45 Ca -0.18 -0.52 -0.41 0.00 -1.00 0.00 0.00 55.97 53.86 1ogf s LYS 45 Cb 0.06 0.41 -0.18 0.00 -2.06 0.00 0.00 37.83 36.06 1ogf s LYS 45 CO 0.27 -0.48 1.37 -2.30 0.10 0.00 0.00 175.35 174.31 1ogf n PRO 46 N -0.38 0.48 0.00 1.78 -0.02 -1.26 0.48 135.00 136.08 1ogf n PRO 46 Ca -0.08 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1ogf n PRO 46 Cb 0.61 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1ogf n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ogf n GLY 47 N 2.78 2.92 3.14 -1.23 0.00 0.22 -4.99 105.19 108.03 1ogf n GLY 47 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1ogf n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogf s LEU 48 N 0.00 1.97 0.80 0.99 1.43 0.18 -2.95 118.68 121.10 1ogf s LEU 48 Ca 0.00 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 1ogf s LEU 48 Cb 0.00 -1.31 0.07 0.00 0.03 0.00 0.00 46.19 44.98 1ogf s LEU 48 CO 0.00 0.07 1.16 -2.16 0.23 0.00 0.00 176.35 175.65 1ogf s PRO 49 N 0.80 2.08 0.27 1.29 0.04 -1.26 0.93 135.00 139.14 1ogf s PRO 49 Ca -0.09 0.19 -0.13 0.00 0.04 0.00 0.00 61.00 61.01 1ogf s PRO 49 Cb -0.16 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1ogf s PRO 49 CO -0.00 -1.53 0.65 0.00 0.04 0.00 0.00 177.00 176.15 1ogf s ALA 50 N -3.52 3.44 0.17 8.56 0.00 -1.15 -0.46 121.76 128.80 1ogf s ALA 50 Ca 0.61 -0.08 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 1ogf s ALA 50 Cb -0.11 -2.63 0.07 0.00 0.00 0.00 0.00 23.12 20.45 1ogf s ALA 50 CO 0.50 0.41 1.61 0.35 0.00 0.00 0.00 175.76 178.62 1ogf h PHE 51 N 2.54 -0.80 -0.25 0.00 3.57 -1.93 -1.33 116.94 118.76 1ogf h PHE 51 Ca -0.48 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.14 1ogf h PHE 51 Cb 1.18 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 40.27 1ogf h PHE 51 CO 0.62 -0.36 -0.13 1.96 -2.23 0.00 0.00 178.31 178.17 1ogf h GLN 52 N -0.22 -0.10 -0.66 1.11 4.20 -1.97 0.69 115.11 118.16 1ogf h GLN 52 Ca 0.18 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1ogf h GLN 52 Cb 0.52 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 1ogf h GLN 52 CO -0.53 -0.07 0.43 -0.44 -0.67 0.00 0.00 178.83 177.56 1ogf h ASP 53 N -0.10 0.77 -0.48 1.46 3.32 -1.81 -1.00 116.42 118.58 1ogf h ASP 53 Ca 0.13 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1ogf h ASP 53 Cb 0.30 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1ogf h ASP 53 CO -0.31 0.57 -0.03 0.74 -1.72 0.00 0.00 179.24 178.49 1ogf h THR 54 N 0.90 1.27 -0.68 0.35 2.02 -0.90 -2.36 112.91 113.51 1ogf h THR 54 Ca 0.24 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1ogf h THR 54 Cb -0.09 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1ogf h THR 54 CO -0.05 0.39 0.38 0.00 0.37 0.00 0.00 175.52 176.60 1ogf h ALA 55 N 0.91 1.38 -0.27 6.16 0.00 -0.54 -1.73 119.26 125.18 1ogf h ALA 55 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ogf h ALA 55 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ogf h ALA 55 CO 0.03 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.78 1ogf h ALA 56 N 1.47 0.36 0.03 0.00 0.00 -0.94 -1.70 119.26 118.47 1ogf h ALA 56 Ca 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ogf h ALA 56 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ogf h ALA 56 CO -0.04 0.11 -0.01 0.28 0.00 0.00 0.00 179.25 179.59 1ogf h VAL 57 N 0.26 1.06 -0.60 0.00 2.07 -1.16 -2.37 116.25 115.50 1ogf h VAL 57 Ca 0.07 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1ogf h VAL 57 Cb 0.44 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 1ogf h VAL 57 CO 0.02 0.07 0.39 -0.07 0.02 0.00 0.00 177.57 178.00 1ogf h LEU 58 N -0.15 0.59 -1.24 2.57 -0.00 -1.30 -0.99 115.31 114.79 1ogf h LEU 58 Ca -0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 1ogf h LEU 58 Cb 0.14 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1ogf h LEU 58 CO 0.01 0.40 -0.37 0.00 -0.00 0.00 0.00 178.44 178.48 1ogf h ALA 59 N 1.66 1.29 0.00 1.53 0.00 -1.06 0.22 119.26 122.89 1ogf h ALA 59 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ogf h ALA 59 Cb 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ogf h ALA 59 CO -0.07 0.46 -0.39 1.49 0.00 0.00 0.00 179.25 180.74 1ogf h GLU 60 N 0.00 0.00 -0.00 0.00 4.57 -0.69 -3.34 114.58 115.11 1ogf h GLU 60 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ogf h GLU 60 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1ogf h GLU 60 CO 0.05 0.07 -0.55 0.39 -1.18 0.00 0.00 179.01 177.79 1ogf n GLU 61 N -2.99 2.63 -4.45 1.92 -0.58 -0.69 -4.99 120.64 111.49 1ogf n GLU 61 Ca 0.02 -0.11 -0.21 0.00 -0.42 0.00 0.00 57.16 56.44 1ogf n GLU 61 Cb 0.57 -1.12 -0.14 0.00 -0.57 0.00 0.00 31.44 30.19 1ogf n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ogf s MET 62 N -2.12 1.00 -0.57 3.49 1.75 0.73 -4.94 119.30 118.64 1ogf s MET 62 Ca 0.06 -0.67 -0.22 0.00 -1.25 0.00 0.00 55.69 53.61 1ogf s MET 62 Cb 0.10 -1.00 0.06 0.00 2.84 0.00 0.00 34.83 36.83 1ogf s MET 62 CO 0.49 0.26 0.86 0.00 -0.65 0.00 0.00 175.02 175.98 1ogf s ALA 63 N -0.66 3.22 -0.21 4.11 0.00 -1.26 -4.65 121.76 122.30 1ogf s ALA 63 Ca 0.03 -1.55 -0.14 0.00 0.00 0.00 0.00 51.96 50.29 1ogf s ALA 63 Cb -0.07 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 1ogf s ALA 63 CO 0.01 -2.38 0.33 0.08 0.00 0.00 0.00 175.76 173.79 1ogf s VAL 64 N 3.59 5.24 -0.31 0.00 1.01 -1.26 0.18 120.40 128.85 1ogf s VAL 64 Ca 0.24 0.55 0.17 0.00 0.00 0.00 0.00 61.98 62.94 1ogf s VAL 64 Cb -0.16 -3.66 -0.23 0.00 0.00 0.00 0.00 36.38 32.33 1ogf s VAL 64 CO 0.15 0.28 0.50 -1.84 0.00 0.00 0.00 175.10 174.18 1ogf n GLU 65 N 4.44 0.90 -3.60 2.72 0.28 -0.44 -4.75 120.64 120.20 1ogf n GLU 65 Ca -0.10 -0.10 -0.16 0.00 -0.16 0.00 0.00 57.16 56.64 1ogf n GLU 65 Cb 0.51 -1.36 -0.07 0.00 1.43 0.00 0.00 31.44 31.95 1ogf n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1ogf s LYS 66 N -2.95 0.90 0.02 3.44 2.20 -1.22 -3.50 119.74 118.64 1ogf s LYS 66 Ca -0.01 0.36 0.05 0.00 -0.36 0.00 0.00 55.97 56.01 1ogf s LYS 66 Cb 0.12 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 1ogf s LYS 66 CO 0.70 -0.24 -0.16 0.08 -0.36 0.00 0.00 175.35 175.37 1ogf s VAL 67 N -0.78 1.27 -0.02 4.02 1.01 -0.18 -1.10 120.40 124.62 1ogf s VAL 67 Ca -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1ogf s VAL 67 Cb -0.02 -1.11 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1ogf s VAL 67 CO 0.06 0.15 -0.11 -0.63 0.00 0.00 0.00 175.10 174.58 1ogf s ILE 68 N -0.69 0.92 0.20 2.22 1.01 -0.33 -1.23 121.20 123.29 1ogf s ILE 68 Ca 0.04 -0.45 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 1ogf s ILE 68 Cb -0.07 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 1ogf s ILE 68 CO 0.01 0.27 0.24 0.00 0.00 0.00 0.00 174.94 175.46 1ogf s ALA 69 N 0.01 0.54 0.08 9.38 0.00 -0.47 -0.36 121.76 130.94 1ogf s ALA 69 Ca -0.01 -1.30 -0.27 0.00 0.00 0.00 0.00 51.96 50.38 1ogf s ALA 69 Cb -0.08 1.14 -0.06 0.00 0.00 0.00 0.00 23.12 24.13 1ogf s ALA 69 CO 0.00 -0.66 0.85 0.00 0.00 0.00 0.00 175.76 175.96 1ogf s ALA 70 N -4.07 3.31 0.60 0.00 0.00 -1.26 -1.19 121.76 119.15 1ogf s ALA 70 Ca 0.29 0.41 0.32 0.00 0.00 0.00 0.00 51.96 52.98 1ogf s ALA 70 Cb 0.04 -3.12 1.93 0.00 0.00 0.00 0.00 23.12 21.98 1ogf s ALA 70 CO 0.08 0.03 2.28 0.00 0.00 0.00 0.00 175.76 178.14 1ogf h ALA 71 N 5.62 1.44 0.00 0.00 0.00 -0.91 -1.26 119.26 124.14 1ogf h ALA 71 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ogf h ALA 71 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ogf h ALA 71 CO 0.71 -0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.35 1ogf n GLU 72 N -3.72 0.01 0.02 0.00 4.71 -1.26 -2.35 120.64 118.06 1ogf n GLU 72 Ca -0.03 0.33 -0.16 0.00 -0.01 0.00 0.00 57.16 57.30 1ogf n GLU 72 Cb 0.08 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 28.96 1ogf n GLU 72 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1ogf h ILE 73 N 0.00 1.31 -0.32 -3.67 2.10 -1.50 -1.34 117.51 114.10 1ogf h ILE 73 Ca 0.00 -2.12 0.03 0.00 1.08 0.00 0.00 64.86 63.85 1ogf h ILE 73 Cb 0.15 2.14 -0.03 0.00 -1.09 0.00 0.00 36.82 37.98 1ogf h ILE 73 CO 0.00 0.66 0.13 0.11 -1.08 0.00 0.00 178.15 177.96 1ogf h LYS 74 N 0.42 0.27 0.15 2.19 1.57 -1.66 0.29 116.57 119.79 1ogf h LYS 74 Ca -0.07 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.41 1ogf h LYS 74 Cb 1.46 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.73 1ogf h LYS 74 CO 0.16 0.18 -1.28 0.00 -0.57 0.00 0.00 179.45 177.94 1ogf h ALA 75 N 1.19 0.03 -0.00 3.86 0.00 -1.68 -3.33 119.26 119.32 1ogf h ALA 75 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ogf h ALA 75 Cb 0.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ogf h ALA 75 CO -0.12 0.81 -0.97 0.43 0.00 0.00 0.00 179.25 179.40 1ogf n SER 76 N -3.67 1.02 -2.98 0.00 7.64 -0.51 -4.69 113.62 110.43 1ogf n SER 76 Ca -0.12 -1.01 -0.14 0.00 1.01 0.00 0.00 58.87 58.61 1ogf n SER 76 Cb 1.02 0.98 0.02 0.00 -1.01 0.00 0.00 64.21 65.22 1ogf n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ogf n ASN 77 N -1.44 -0.71 -0.27 6.43 4.05 0.10 -4.73 115.26 118.68 1ogf n ASN 77 Ca 0.04 -3.27 0.09 0.00 0.45 0.00 0.00 54.58 51.89 1ogf n ASN 77 Cb 0.33 0.54 0.23 0.00 1.23 0.00 0.00 39.78 42.10 1ogf n ASN 77 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1ogf h GLN 78 N 3.15 0.21 0.40 1.20 4.20 -1.66 -0.62 115.11 121.99 1ogf h GLN 78 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ogf h GLN 78 Cb 1.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1ogf h GLN 78 CO 0.34 0.14 -0.40 1.49 -0.67 0.00 0.00 178.83 179.73 1ogf h GLU 79 N 0.22 -0.78 0.00 1.46 4.81 -1.93 -0.84 114.58 117.52 1ogf h GLU 79 Ca 0.48 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.69 1ogf h GLU 79 Cb 0.89 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1ogf h GLU 79 CO -0.60 -0.52 -0.33 -0.91 -0.73 0.00 0.00 179.01 175.91 1ogf h ASN 80 N -0.81 0.00 -0.50 1.04 2.35 -1.83 -2.05 115.58 113.78 1ogf h ASN 80 Ca -0.03 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 1ogf h ASN 80 Cb 0.73 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 1ogf h ASN 80 CO -0.07 0.33 -0.20 0.00 -1.65 0.00 0.00 177.43 175.85 1ogf h ALA 81 N 1.67 0.69 0.00 -0.83 0.00 -0.77 -2.46 119.26 117.57 1ogf h ALA 81 Ca -0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1ogf h ALA 81 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ogf h ALA 81 CO 0.04 0.67 -0.84 0.87 0.00 0.00 0.00 179.25 180.00 1ogf h LYS 82 N 0.87 0.07 -0.11 0.00 1.57 -1.01 -2.91 116.57 115.06 1ogf h LYS 82 Ca 0.12 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ogf h LYS 82 Cb 0.78 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1ogf h LYS 82 CO 0.06 0.87 -0.08 0.35 -0.57 0.00 0.00 179.45 180.08 1ogf h PHE 83 N 0.04 -0.19 0.05 -1.35 3.57 -1.24 -0.56 116.94 117.25 1ogf h PHE 83 Ca -0.02 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ogf h PHE 83 Cb 1.47 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 40.28 1ogf h PHE 83 CO 0.01 -0.13 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.69 1ogf h LEU 84 N -0.09 -0.59 -1.35 0.59 3.38 -1.40 0.26 115.31 116.12 1ogf h LEU 84 Ca 0.07 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1ogf h LEU 84 Cb 0.19 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1ogf h LEU 84 CO -0.16 -0.28 0.55 -0.33 0.09 0.00 0.00 178.44 178.30 1ogf h GLU 85 N -0.36 0.65 0.07 1.13 4.39 -1.29 0.60 114.58 119.77 1ogf h GLU 85 Ca 0.04 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ogf h GLU 85 Cb 0.41 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1ogf h GLU 85 CO -0.15 0.43 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.18 1ogf h ASN 86 N 0.66 -0.08 -0.53 1.42 -0.26 -0.19 -2.78 115.58 113.84 1ogf h ASN 86 Ca 0.41 -0.54 0.04 0.00 -0.56 0.00 0.00 56.30 55.64 1ogf h ASN 86 Cb 0.65 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.89 1ogf h ASN 86 CO -0.17 0.57 0.29 0.25 -1.06 0.00 0.00 177.43 177.31 1ogf h LEU 87 N -0.80 0.45 -4.63 1.61 5.85 -0.18 -2.81 115.31 114.79 1ogf h LEU 87 Ca -0.01 0.02 -0.72 0.00 0.84 0.00 0.00 57.88 58.01 1ogf h LEU 87 Cb 0.61 -0.07 -0.30 0.00 0.37 0.00 0.00 40.66 41.27 1ogf h LEU 87 CO 0.02 0.31 0.71 0.49 -0.34 0.00 0.00 178.44 179.63 1ogf n PHE 88 N -4.83 3.09 -0.21 1.25 3.01 0.17 -4.73 117.46 115.21 1ogf n PHE 88 Ca 0.04 -2.59 0.11 0.00 1.01 0.00 0.00 57.45 56.02 1ogf n PHE 88 Cb 0.11 -1.08 0.40 0.00 -0.01 0.00 0.00 39.48 38.90 1ogf n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ogf h SER 89 N 2.66 0.58 0.94 4.37 4.64 -1.22 -2.45 113.55 123.08 1ogf h SER 89 Ca 0.54 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1ogf h SER 89 Cb 0.40 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ogf h SER 89 CO 1.37 0.33 -0.81 -0.33 -0.87 0.00 0.00 176.83 176.52 1ogf h GLU 90 N 0.64 0.00 -6.93 4.77 5.08 -1.87 -3.47 114.58 112.79 1ogf h GLU 90 Ca 0.37 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.24 1ogf h GLU 90 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ogf h GLU 90 CO -0.14 0.00 0.18 -0.65 -1.00 0.00 0.00 179.01 177.40 1ogf s GLN 91 N -3.26 3.83 -0.03 2.33 1.11 -0.92 -5.02 119.66 117.68 1ogf s GLN 91 Ca 0.03 0.59 -0.30 0.00 0.01 0.00 0.00 55.36 55.69 1ogf s GLN 91 Cb 0.11 -2.33 -0.04 0.00 -1.01 0.00 0.00 33.01 29.74 1ogf s GLN 91 CO 0.76 -0.09 1.28 -2.00 0.01 0.00 0.00 175.29 175.25 1ogf s GLU 92 N -3.87 4.32 -0.20 2.91 2.12 -1.23 -4.89 118.70 117.86 1ogf s GLU 92 Ca 0.53 1.79 -0.03 0.00 0.36 0.00 0.00 54.97 57.62 1ogf s GLU 92 Cb -0.10 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 1ogf s GLU 92 CO 0.31 -0.50 -0.06 0.42 -0.54 0.00 0.00 175.26 174.89 1ogf s ILE 93 N 2.29 3.28 -0.07 -3.70 1.01 -1.26 -1.01 121.20 121.74 1ogf s ILE 93 Ca 0.59 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1ogf s ILE 93 Cb -0.27 -2.47 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1ogf s ILE 93 CO 0.24 0.44 -0.20 -0.70 0.00 0.00 0.00 174.94 174.72 1ogf s GLU 94 N 1.29 2.75 -0.08 2.79 2.12 -0.37 -5.00 118.70 122.21 1ogf s GLU 94 Ca 0.03 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.56 1ogf s GLU 94 Cb -0.14 -2.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 1ogf s GLU 94 CO -0.03 0.39 -0.08 0.71 -0.54 0.00 0.00 175.26 175.72 1ogf s TYR 95 N -0.15 2.91 0.24 5.30 1.51 -1.26 -1.37 117.35 124.53 1ogf s TYR 95 Ca -0.03 -0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1ogf s TYR 95 Cb -0.14 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1ogf s TYR 95 CO 0.04 0.25 0.01 -0.51 -1.11 0.00 0.00 175.55 174.23 1ogf s LEU 96 N -0.63 2.15 0.77 -1.29 1.43 -0.34 -4.82 118.68 115.95 1ogf s LEU 96 Ca 0.09 -1.24 -0.13 0.00 -1.03 0.00 0.00 54.13 51.83 1ogf s LEU 96 Cb -0.12 -0.25 0.06 0.00 0.03 0.00 0.00 46.19 45.92 1ogf s LEU 96 CO 0.02 -0.54 1.15 -0.94 0.23 0.00 0.00 176.35 176.27 1ogf s SER 97 N -3.31 4.15 0.25 2.29 1.04 -1.26 -0.24 113.70 116.61 1ogf s SER 97 Ca 0.29 2.14 -0.04 0.00 0.48 0.00 0.00 55.95 58.82 1ogf s SER 97 Cb 0.06 -2.56 0.40 0.00 0.10 0.00 0.00 66.02 64.01 1ogf s SER 97 CO 0.09 -2.28 1.83 -0.74 0.98 0.00 0.00 173.24 173.12 1ogf h HIS 98 N -0.77 0.96 -0.62 5.02 2.76 -1.92 -0.13 115.15 120.46 1ogf h HIS 98 Ca -0.46 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 57.78 1ogf h HIS 98 Cb 1.27 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.88 1ogf h HIS 98 CO 0.52 0.43 0.36 0.93 -1.30 0.00 0.00 177.93 178.87 1ogf h GLU 99 N 0.90 0.67 -0.17 5.26 4.39 -2.00 -0.45 114.58 123.19 1ogf h GLU 99 Ca 0.41 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.95 1ogf h GLU 99 Cb 0.30 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1ogf h GLU 99 CO -0.22 0.45 -0.41 0.93 -1.16 0.00 0.00 179.01 178.60 1ogf h GLU 100 N 0.70 0.38 0.30 2.33 5.08 -1.70 -2.25 114.58 119.42 1ogf h GLU 100 Ca 0.26 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ogf h GLU 100 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ogf h GLU 100 CO -0.13 0.73 -0.15 0.35 -1.00 0.00 0.00 179.01 178.81 1ogf h PHE 101 N 0.32 -0.38 -0.76 4.33 3.57 -0.20 -1.64 116.94 122.18 1ogf h PHE 101 Ca 0.03 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.60 1ogf h PHE 101 Cb 0.86 0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 1ogf h PHE 101 CO 0.02 -0.19 0.43 0.87 -2.23 0.00 0.00 178.31 177.22 1ogf h LYS 102 N -0.48 0.73 -0.76 1.11 1.57 -1.03 0.40 116.57 118.10 1ogf h LYS 102 Ca -0.04 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1ogf h LYS 102 Cb 0.36 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 1ogf h LYS 102 CO 0.07 0.48 0.43 1.25 -0.57 0.00 0.00 179.45 181.11 1ogf h LEU 103 N 0.75 0.64 -1.33 2.94 5.85 -1.15 -0.72 115.31 122.29 1ogf h LEU 103 Ca 0.36 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 59.05 1ogf h LEU 103 Cb 0.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1ogf h LEU 103 CO -0.22 0.39 -0.27 0.25 -0.34 0.00 0.00 178.44 178.25 1ogf h LEU 104 N 0.77 0.00 -0.28 2.25 5.85 0.01 -2.74 115.31 121.17 1ogf h LEU 104 Ca 0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.07 1ogf h LEU 104 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1ogf h LEU 104 CO -0.21 0.27 0.00 0.35 -0.34 0.00 0.00 178.44 178.51 1ogf n THR 105 N -3.66 1.35 0.24 1.05 -2.24 -0.28 -1.81 114.28 108.92 1ogf n THR 105 Ca -0.01 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 1ogf n THR 105 Cb 0.39 -1.30 0.57 0.00 -2.10 0.00 0.00 70.33 67.89 1ogf n THR 105 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ogf h LYS 106 N 0.00 0.00 -0.00 -0.78 1.57 -1.54 -2.55 116.57 113.27 1ogf h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ogf h LYS 106 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ogf h LYS 106 CO 0.00 0.17 -0.34 -0.25 -0.57 0.00 0.00 179.45 178.47 1ogf n ASP 107 N -3.42 0.81 -4.76 0.86 8.00 -0.75 -4.93 116.55 112.36 1ogf n ASP 107 Ca -0.00 -0.64 -0.37 0.00 0.71 0.00 0.00 54.79 54.49 1ogf n ASP 107 Cb 0.36 0.16 0.02 0.00 -0.02 0.00 0.00 41.12 41.65 1ogf n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogf s ALA 108 N -2.68 2.77 -0.12 2.24 0.00 -0.96 -4.69 121.76 118.32 1ogf s ALA 108 Ca 0.20 1.10 0.23 0.00 0.00 0.00 0.00 51.96 53.49 1ogf s ALA 108 Cb 0.19 -3.47 0.63 0.00 0.00 0.00 0.00 23.12 20.46 1ogf s ALA 108 CO 0.58 -1.08 1.70 0.87 0.00 0.00 0.00 175.76 177.84 1ogf h LYS 109 N 1.44 0.00 -1.47 0.00 1.79 -0.66 -3.45 116.57 114.22 1ogf h LYS 109 Ca -0.50 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 58.22 1ogf h LYS 109 Cb 1.28 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.74 1ogf h LYS 109 CO 0.57 0.17 0.81 0.00 -1.08 0.00 0.00 179.45 179.93 1ogf s ALA 110 N -3.36 -2.07 -0.19 3.86 0.00 -1.26 -4.13 121.76 114.61 1ogf s ALA 110 Ca 0.03 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1ogf s ALA 110 Cb 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1ogf s ALA 110 CO 0.65 -0.58 -0.19 0.08 0.00 0.00 0.00 175.76 175.72 1ogf s VAL 111 N -2.37 2.06 -0.43 0.00 1.01 0.33 -1.12 120.40 119.88 1ogf s VAL 111 Ca 0.09 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 1ogf s VAL 111 Cb -0.01 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1ogf s VAL 111 CO -0.05 0.47 0.61 -0.63 0.00 0.00 0.00 175.10 175.50 1ogf s ILE 112 N 1.27 4.87 -0.21 2.22 1.01 0.95 -1.38 121.20 129.93 1ogf s ILE 112 Ca 0.03 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.54 1ogf s ILE 112 Cb -0.14 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 1ogf s ILE 112 CO -0.12 -0.56 0.66 -0.60 0.00 0.00 0.00 174.94 174.32 1ogf s ARG 113 N 2.72 4.19 0.37 2.79 3.52 -0.42 -0.43 118.95 131.69 1ogf s ARG 113 Ca 0.21 0.65 0.05 0.00 -0.13 0.00 0.00 55.73 56.51 1ogf s ARG 113 Cb -0.15 -3.60 0.06 0.00 -1.56 0.00 0.00 34.95 29.71 1ogf s ARG 113 CO 0.18 -0.31 0.51 0.25 -0.81 0.00 0.00 175.30 175.12 1ogf n THR 114 N 4.87 0.00 0.39 4.11 -2.24 -0.07 -0.68 114.28 120.66 1ogf n THR 114 Ca -0.00 -1.15 0.11 0.00 -2.27 0.00 0.00 64.05 60.74 1ogf n THR 114 Cb 0.49 -0.77 0.25 0.00 -2.10 0.00 0.00 70.33 68.21 1ogf n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogf n GLY 115 N 0.60 1.56 3.67 3.38 0.00 0.39 -3.52 105.19 111.27 1ogf n GLY 115 Ca 0.10 -0.69 -0.53 0.00 0.00 0.00 0.00 46.02 44.91 1ogf n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ogf n GLU 116 N 1.30 1.49 -1.85 1.61 4.07 -1.16 0.72 120.64 126.84 1ogf n GLU 116 Ca 0.19 0.54 -0.27 0.00 -0.06 0.00 0.00 57.16 57.57 1ogf n GLU 116 Cb 0.56 -2.26 0.04 0.00 -0.06 0.00 0.00 31.44 29.71 1ogf n GLU 116 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1ogf n PHE 117 N 4.60 2.89 -4.65 4.31 3.01 -1.26 -0.94 117.46 125.42 1ogf n PHE 117 Ca 0.22 -2.45 -0.23 0.00 1.01 0.00 0.00 57.45 56.00 1ogf n PHE 117 Cb 0.20 -0.63 -0.15 0.00 -0.01 0.00 0.00 39.48 38.89 1ogf n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ogf s THR 118 N -4.68 1.34 0.02 4.37 -4.23 -1.26 -5.03 115.64 106.18 1ogf s THR 118 Ca 0.55 -0.89 -0.38 0.00 -1.18 0.00 0.00 61.69 59.79 1ogf s THR 118 Cb 0.44 -1.15 -0.18 0.00 1.34 0.00 0.00 72.50 72.95 1ogf s THR 118 CO 0.02 0.25 1.28 -2.65 -0.54 0.00 0.00 174.62 172.97 1ogf n PRO 119 N 2.30 0.73 -2.27 3.99 -0.02 -1.26 -3.13 135.00 135.35 1ogf n PRO 119 Ca -0.16 0.26 -0.15 0.00 -2.02 0.00 0.00 63.50 61.44 1ogf n PRO 119 Cb 0.54 -1.86 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1ogf n PRO 119 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ogf n TYR 120 N 2.35 -1.13 -2.33 6.00 4.02 -1.26 -4.50 117.16 120.30 1ogf n TYR 120 Ca 0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.66 1ogf n TYR 120 Cb 0.14 -3.06 0.00 0.00 -0.02 0.00 0.00 39.34 36.41 1ogf n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ogf n ALA 121 N -1.70 4.28 -3.07 -0.72 0.00 -1.18 -4.69 120.51 113.44 1ogf n ALA 121 Ca -0.17 -3.91 -0.11 0.00 0.00 0.00 0.00 53.44 49.25 1ogf n ALA 121 Cb 0.61 -3.51 -0.11 0.00 0.00 0.00 0.00 19.45 16.44 1ogf n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ogf s ASN 122 N 3.64 0.04 0.06 0.00 -0.87 -1.26 -2.07 114.94 114.48 1ogf s ASN 122 Ca 0.50 -0.19 -0.23 0.00 -1.57 0.00 0.00 52.86 51.36 1ogf s ASN 122 Cb 0.07 0.19 0.06 0.00 -0.02 0.00 0.00 41.25 41.55 1ogf s ASN 122 CO 0.02 -0.31 0.55 0.00 -2.57 0.00 0.00 177.10 174.79 1ogf s ILE 124 N -2.59 3.31 -0.26 0.00 1.01 0.51 -1.46 121.20 121.72 1ogf s ILE 124 Ca -0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1ogf s ILE 124 Cb -0.01 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1ogf s ILE 124 CO -0.03 0.51 0.09 -0.76 0.00 0.00 0.00 174.94 174.75 1ogf s LEU 125 N 0.44 3.60 -0.24 2.97 1.43 -0.19 -1.19 118.68 125.50 1ogf s LEU 125 Ca -0.08 -0.24 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 1ogf s LEU 125 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1ogf s LEU 125 CO 0.04 -0.06 0.32 -1.58 0.23 0.00 0.00 176.35 175.30 1ogf s GLN 126 N 1.63 4.09 0.30 1.70 0.74 -0.26 -2.09 119.66 125.77 1ogf s GLN 126 Ca 0.06 0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.18 1ogf s GLN 126 Cb -0.15 -3.58 -0.11 0.00 1.10 0.00 0.00 33.01 30.27 1ogf s GLN 126 CO 0.05 -0.09 1.51 0.00 -0.55 0.00 0.00 175.29 176.20 1ogf s ALA 127 N 1.49 3.66 0.18 1.58 0.00 0.66 -1.32 121.76 128.00 1ogf s ALA 127 Ca 0.14 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1ogf s ALA 127 Cb -0.15 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1ogf s ALA 127 CO 0.08 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1ogf n GLY 128 N 1.70 1.54 2.93 0.00 0.00 0.48 -0.99 105.19 110.85 1ogf n GLY 128 Ca 0.06 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 1ogf n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogf s VAL 129 N 1.94 0.27 -2.00 1.61 0.11 -1.26 -4.18 120.40 116.89 1ogf s VAL 129 Ca 0.00 -0.21 0.19 0.00 -2.93 0.00 0.00 61.98 59.03 1ogf s VAL 129 Cb 0.00 -0.24 0.55 0.00 -1.53 0.00 0.00 36.38 35.16 1ogf s VAL 129 CO 0.00 0.03 1.72 0.18 -3.33 0.00 0.00 175.10 173.70 1ogf n LEU 130 N 2.88 0.00 0.00 2.54 4.77 -1.26 -5.11 117.00 120.82 1ogf n LEU 130 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1ogf n LEU 130 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1ogf n LEU 130 CO 0.25 0.00 0.00 2.22 -1.33 0.00 0.00 177.39 178.53