#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogd s LYS 2 N 0.00 4.42 -0.08 0.03 2.20 -1.26 -4.96 119.74 120.09 1ogd s LYS 2 Ca 0.00 1.84 -0.24 0.00 -0.36 0.00 0.00 55.97 57.21 1ogd s LYS 2 Cb 0.00 -3.32 -0.29 0.00 -1.51 0.00 0.00 37.83 32.71 1ogd s LYS 2 CO 0.00 -0.27 0.83 0.87 -0.36 0.00 0.00 175.35 176.42 1ogd h LYS 3 N 6.61 0.20 -6.01 4.03 1.57 -2.04 -3.48 116.57 117.45 1ogd h LYS 3 Ca -0.42 -0.34 -0.59 0.00 -1.87 0.00 0.00 60.65 57.43 1ogd h LYS 3 Cb 1.21 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 1ogd h LYS 3 CO 0.81 1.16 -0.64 -1.01 -0.57 0.00 0.00 179.45 179.21 1ogd s HIS 4 N -2.36 2.51 0.00 -1.35 3.76 -1.26 -5.08 115.29 111.51 1ogd s HIS 4 Ca -0.16 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 1ogd s HIS 4 Cb -0.00 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.24 1ogd s HIS 4 CO 0.78 0.51 0.00 0.41 -0.85 0.00 0.00 174.74 175.59 1ogd n GLY 5 N -0.91 -3.61 3.76 -2.22 0.00 -1.26 -4.96 105.19 95.99 1ogd n GLY 5 Ca -0.04 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 1ogd n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ogd s ILE 6 N -0.92 2.08 0.12 -0.61 2.07 -1.26 -4.95 121.20 117.73 1ogd s ILE 6 Ca 0.00 0.06 -0.07 0.00 -1.41 0.00 0.00 60.65 59.23 1ogd s ILE 6 Cb 0.00 -3.03 -0.18 0.00 0.13 0.00 0.00 42.46 39.38 1ogd s ILE 6 CO 0.00 0.00 1.30 0.25 -1.91 0.00 0.00 174.94 174.58 1ogd h LEU 7 N 1.90 0.68 -9.34 8.50 5.85 -1.99 -3.45 115.31 117.47 1ogd h LEU 7 Ca -0.51 -0.52 -0.54 0.00 0.84 0.00 0.00 57.88 57.15 1ogd h LEU 7 Cb 1.28 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1ogd h LEU 7 CO 0.59 1.31 1.02 0.21 -0.34 0.00 0.00 178.44 181.23 1ogd s ASN 8 N -7.12 6.68 0.18 1.25 3.84 -1.26 -4.93 114.94 113.58 1ogd s ASN 8 Ca -0.07 2.29 -0.13 0.00 0.21 0.00 0.00 52.86 55.16 1ogd s ASN 8 Cb 0.09 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.32 1ogd s ASN 8 CO 0.88 -0.88 1.80 0.77 -2.79 0.00 0.00 177.10 176.88 1ogd h SER 9 N 8.91 0.73 -0.18 -4.21 4.64 -2.00 -0.73 113.55 120.72 1ogd h SER 9 Ca -0.40 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ogd h SER 9 Cb 1.18 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1ogd h SER 9 CO 0.94 0.60 0.10 0.45 -0.87 0.00 0.00 176.83 178.05 1ogd h HIS 10 N 0.80 0.24 -0.67 4.77 3.86 -1.99 -2.63 115.15 119.52 1ogd h HIS 10 Ca 0.21 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1ogd h HIS 10 Cb 0.02 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 1ogd h HIS 10 CO -0.01 0.20 0.20 -0.07 0.86 0.00 0.00 177.93 179.10 1ogd h LEU 11 N 0.20 0.99 -1.09 2.43 3.38 -1.93 -2.52 115.31 116.76 1ogd h LEU 11 Ca 0.06 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1ogd h LEU 11 Cb 0.04 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.46 1ogd h LEU 11 CO -0.01 0.94 0.61 0.00 0.09 0.00 0.00 178.44 180.08 1ogd h ALA 12 N 1.08 1.52 -0.44 1.53 0.00 -0.99 0.47 119.26 122.44 1ogd h ALA 12 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1ogd h ALA 12 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ogd h ALA 12 CO -0.00 0.30 -0.04 0.87 0.00 0.00 0.00 179.25 180.38 1ogd h LYS 13 N 1.03 0.74 -0.12 0.00 1.57 -1.08 -0.75 116.57 117.95 1ogd h LYS 13 Ca 0.43 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1ogd h LYS 13 Cb 0.32 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ogd h LYS 13 CO -0.19 0.78 -0.16 0.82 -0.57 0.00 0.00 179.45 180.13 1ogd h ILE 14 N 0.69 1.37 -0.83 1.86 1.08 -0.88 -3.21 117.51 117.59 1ogd h ILE 14 Ca 0.13 -1.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 1ogd h ILE 14 Cb 0.48 2.00 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 1ogd h ILE 14 CO 0.02 0.40 0.48 -0.07 -0.69 0.00 0.00 178.15 178.29 1ogd h LEU 15 N -0.10 1.02 -1.40 1.44 3.38 -0.80 -2.69 115.31 116.16 1ogd h LEU 15 Ca 0.01 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.02 1ogd h LEU 15 Cb 0.71 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1ogd h LEU 15 CO 0.04 0.80 0.52 0.00 0.09 0.00 0.00 178.44 179.89 1ogd h ALA 16 N 1.36 1.86 -0.01 1.53 0.00 -1.14 -2.09 119.26 120.77 1ogd h ALA 16 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ogd h ALA 16 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ogd h ALA 16 CO -0.05 -0.04 -0.27 -0.25 0.00 0.00 0.00 179.25 178.64 1ogd n ASP 17 N -4.51 0.86 -4.74 0.00 8.00 -1.02 -4.95 116.55 110.19 1ogd n ASP 17 Ca 0.14 -0.74 -0.42 0.00 0.71 0.00 0.00 54.79 54.48 1ogd n ASP 17 Cb 0.39 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 1ogd n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ogd s LEU 18 N -2.57 4.36 0.38 0.64 1.43 -0.79 -5.02 118.68 117.10 1ogd s LEU 18 Ca 0.23 2.86 0.07 0.00 -1.03 0.00 0.00 54.13 56.25 1ogd s LEU 18 Cb 0.19 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 1ogd s LEU 18 CO 0.54 -0.88 -0.00 -0.83 0.23 0.00 0.00 176.35 175.41 1ogd s GLY 19 N 0.64 2.34 0.08 -3.19 0.00 -1.26 -5.04 107.32 100.88 1ogd s GLY 19 Ca 0.65 -2.21 -0.34 0.00 0.00 0.00 0.00 44.72 42.82 1ogd s GLY 19 CO 0.43 -2.02 1.65 1.57 0.00 0.00 0.00 173.10 174.73 1ogd n HIS 20 N -0.87 2.25 -0.33 1.90 -0.00 -1.26 -1.63 115.22 115.27 1ogd n HIS 20 Ca -0.05 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1ogd n HIS 20 Cb 0.66 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.97 1ogd n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ogd n THR 21 N 3.86 0.00 -1.94 3.57 -2.24 -0.45 -5.00 114.28 112.08 1ogd n THR 21 Ca 0.19 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.61 1ogd n THR 21 Cb 0.28 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.55 1ogd n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ogd s ASP 22 N -3.21 5.09 0.03 3.42 1.01 -0.65 -4.55 116.67 117.81 1ogd s ASP 22 Ca 0.00 2.36 0.07 0.00 0.71 0.00 0.00 52.55 55.69 1ogd s ASP 22 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1ogd s ASP 22 CO 0.00 -1.66 -0.21 -0.54 0.21 0.00 0.00 175.17 172.98 1ogd s LYS 23 N -3.44 1.46 0.13 8.23 1.02 -1.26 -0.31 119.74 125.58 1ogd s LYS 23 Ca 0.76 -0.89 0.06 0.00 0.02 0.00 0.00 55.97 55.93 1ogd s LYS 23 Cb -0.29 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 1ogd s LYS 23 CO 0.35 0.40 -0.14 0.96 -0.92 0.00 0.00 175.35 175.99 1ogd s ILE 24 N -0.72 1.41 -0.03 2.17 -4.36 -0.93 -0.07 121.20 118.68 1ogd s ILE 24 Ca 0.08 -1.80 0.07 0.00 -0.26 0.00 0.00 60.65 58.74 1ogd s ILE 24 Cb -0.09 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 1ogd s ILE 24 CO 0.01 -0.44 -0.25 -0.69 0.24 0.00 0.00 174.94 173.81 1ogd s VAL 25 N -2.27 2.00 -0.18 8.37 1.01 -0.11 -1.30 120.40 127.92 1ogd s VAL 25 Ca 0.11 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1ogd s VAL 25 Cb -0.04 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1ogd s VAL 25 CO 0.04 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.03 1ogd s ILE 26 N -0.46 3.70 0.22 2.22 1.01 -0.34 0.44 121.20 127.99 1ogd s ILE 26 Ca 0.06 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.38 1ogd s ILE 26 Cb -0.11 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1ogd s ILE 26 CO 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 174.94 175.26 1ogd s ALA 27 N 0.85 2.11 0.85 9.38 0.00 0.42 -1.57 121.76 133.80 1ogd s ALA 27 Ca -0.01 -1.71 -0.07 0.00 0.00 0.00 0.00 51.96 50.18 1ogd s ALA 27 Cb -0.15 -0.06 0.16 0.00 0.00 0.00 0.00 23.12 23.07 1ogd s ALA 27 CO 0.02 0.07 0.98 -0.40 0.00 0.00 0.00 175.76 176.42 1ogd n ASP 28 N -0.42 0.59 0.21 0.00 3.85 -1.16 -1.53 116.55 118.09 1ogd n ASP 28 Ca -0.07 -1.67 0.15 0.00 -0.71 0.00 0.00 54.79 52.49 1ogd n ASP 28 Cb 0.61 -0.70 0.64 0.00 -1.35 0.00 0.00 41.12 40.32 1ogd n ASP 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ogd h ALA 29 N -1.22 1.00 0.00 2.12 0.00 -1.46 -3.26 119.26 116.44 1ogd h ALA 29 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ogd h ALA 29 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ogd h ALA 29 CO 0.27 0.00 -1.38 0.41 0.00 0.00 0.00 179.25 178.55 1ogd n GLY 30 N -0.21 -0.99 3.71 0.00 0.00 -1.26 -4.98 105.19 101.47 1ogd n GLY 30 Ca 0.01 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1ogd n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ogd s LEU 31 N -3.59 4.38 0.39 0.99 2.96 -1.23 -4.96 118.68 117.62 1ogd s LEU 31 Ca 0.02 2.85 -0.24 0.00 -0.22 0.00 0.00 54.13 56.54 1ogd s LEU 31 Cb 0.15 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 43.15 1ogd s LEU 31 CO 0.88 -0.99 1.00 -2.16 -1.32 0.00 0.00 176.35 173.76 1ogd s PRO 32 N 1.58 4.29 -0.23 0.98 0.04 -1.26 -4.98 135.00 135.41 1ogd s PRO 32 Ca 0.77 1.37 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 1ogd s PRO 32 Cb -0.49 -2.53 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 1ogd s PRO 32 CO 0.33 -0.01 0.10 0.08 0.04 0.00 0.00 177.00 177.54 1ogd s VAL 33 N -1.76 4.74 0.69 -0.36 1.01 -1.26 -5.08 120.40 118.38 1ogd s VAL 33 Ca 0.57 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 1ogd s VAL 33 Cb -0.18 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1ogd s VAL 33 CO 0.23 0.36 1.14 -2.65 0.00 0.00 0.00 175.10 174.18 1ogd n PRO 34 N 4.46 0.75 -2.04 2.72 -0.02 -1.26 -4.91 135.00 134.70 1ogd n PRO 34 Ca -0.16 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1ogd n PRO 34 Cb 0.52 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.60 1ogd n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ogd s ASP 35 N -1.56 6.67 0.00 2.55 1.01 -1.26 -2.58 116.67 121.51 1ogd s ASP 35 Ca 0.78 2.73 0.00 0.00 0.71 0.00 0.00 52.55 56.77 1ogd s ASP 35 Cb -0.36 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.93 1ogd s ASP 35 CO 0.46 -0.64 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1ogd n GLY 36 N 1.19 2.67 3.71 0.21 0.00 -1.26 -5.04 105.19 106.67 1ogd n GLY 36 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1ogd n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogd s VAL 37 N -2.45 5.23 0.27 1.61 1.01 -1.06 -5.04 120.40 119.97 1ogd s VAL 37 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1ogd s VAL 37 Cb 0.00 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1ogd s VAL 37 CO 0.00 0.32 1.52 -0.22 0.00 0.00 0.00 175.10 176.72 1ogd s LEU 38 N 0.81 4.36 -0.17 3.92 2.96 -1.26 -4.85 118.68 124.45 1ogd s LEU 38 Ca 0.20 2.81 -0.02 0.00 -0.22 0.00 0.00 54.13 56.91 1ogd s LEU 38 Cb -0.14 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1ogd s LEU 38 CO 0.07 -0.81 -0.08 -0.75 -1.32 0.00 0.00 176.35 173.45 1ogd s LYS 39 N -0.41 3.40 -0.33 1.98 2.20 -1.26 -1.08 119.74 124.24 1ogd s LYS 39 Ca 0.62 -0.64 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 1ogd s LYS 39 Cb -0.45 -2.82 0.07 0.00 -1.51 0.00 0.00 37.83 33.12 1ogd s LYS 39 CO 0.45 0.03 0.05 0.42 -0.36 0.00 0.00 175.35 175.95 1ogd s ILE 40 N 0.86 2.90 -0.34 5.43 1.01 -0.39 -4.98 121.20 125.68 1ogd s ILE 40 Ca -0.02 -1.73 -0.18 0.00 0.00 0.00 0.00 60.65 58.71 1ogd s ILE 40 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1ogd s ILE 40 CO 0.01 -0.33 0.52 -0.62 0.00 0.00 0.00 174.94 174.52 1ogd s ASP 41 N 1.35 6.34 0.00 3.58 -1.08 -1.26 -1.06 116.67 124.53 1ogd s ASP 41 Ca 0.00 0.06 0.17 0.00 -0.52 0.00 0.00 52.55 52.26 1ogd s ASP 41 Cb -0.20 -2.27 -0.01 0.00 -1.46 0.00 0.00 42.92 38.97 1ogd s ASP 41 CO -0.03 -0.46 0.88 0.18 0.52 0.00 0.00 175.17 176.26 1ogd n LEU 42 N 5.73 1.65 -4.73 -1.34 4.77 -0.24 -4.95 117.00 117.88 1ogd n LEU 42 Ca -0.04 -0.75 -0.39 0.00 -0.03 0.00 0.00 56.01 54.79 1ogd n LEU 42 Cb 0.49 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1ogd n LEU 42 CO 0.45 0.32 0.95 -1.54 -1.33 0.00 0.00 177.39 176.23 1ogd n SER 43 N -0.17 2.64 -0.01 -1.43 3.41 -1.20 -4.38 113.62 112.48 1ogd n SER 43 Ca 0.07 1.01 -0.02 0.00 -0.26 0.00 0.00 58.87 59.67 1ogd n SER 43 Cb 0.35 -1.56 -0.01 0.00 -0.26 0.00 0.00 64.21 62.74 1ogd n SER 43 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ogd n LEU 44 N -0.66 0.65 -3.66 1.04 0.00 0.22 -4.93 117.00 109.66 1ogd n LEU 44 Ca 0.09 0.02 -0.09 0.00 0.00 0.00 0.00 56.01 56.03 1ogd n LEU 44 Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 43.42 43.78 1ogd n LEU 44 CO 0.55 0.13 0.47 -1.59 0.00 0.00 0.00 177.39 176.95 1ogd s LYS 45 N -2.03 1.49 -0.02 1.96 -2.85 -1.10 -5.05 119.74 112.14 1ogd s LYS 45 Ca -0.02 -0.72 -0.38 0.00 -1.00 0.00 0.00 55.97 53.85 1ogd s LYS 45 Cb 0.01 0.58 -0.16 0.00 -2.06 0.00 0.00 37.83 36.19 1ogd s LYS 45 CO 0.03 -0.67 1.47 -2.30 0.10 0.00 0.00 175.35 173.98 1ogd n PRO 46 N -0.42 1.19 -0.15 1.78 -0.02 -1.26 -0.79 135.00 135.34 1ogd n PRO 46 Ca -0.10 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1ogd n PRO 46 Cb 0.62 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1ogd n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ogd n GLY 47 N 3.04 1.65 2.81 -1.23 0.00 0.17 -4.99 105.19 106.63 1ogd n GLY 47 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1ogd n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ogd s LEU 48 N 0.00 1.33 0.58 0.99 0.20 0.03 -2.99 118.68 118.82 1ogd s LEU 48 Ca 0.00 -0.67 -0.08 0.00 0.69 0.00 0.00 54.13 54.06 1ogd s LEU 48 Cb 0.00 -0.72 -0.03 0.00 -0.43 0.00 0.00 46.19 45.01 1ogd s LEU 48 CO 0.00 -0.24 0.94 -2.84 -0.29 0.00 0.00 176.35 173.92 1ogd s PRO 49 N 1.77 3.45 0.43 0.98 0.02 -1.26 -0.61 135.00 139.78 1ogd s PRO 49 Ca 0.00 0.46 -0.11 0.00 0.02 0.00 0.00 61.00 61.37 1ogd s PRO 49 Cb -0.16 -2.20 -0.06 0.00 0.02 0.00 0.00 34.50 32.10 1ogd s PRO 49 CO -0.07 -0.49 0.81 0.00 -0.33 0.00 0.00 177.00 176.92 1ogd s ALA 50 N -3.02 3.30 0.18 -1.55 0.00 -1.16 -0.84 121.76 118.66 1ogd s ALA 50 Ca 0.52 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.18 1ogd s ALA 50 Cb -0.11 -2.77 0.15 0.00 0.00 0.00 0.00 23.12 20.39 1ogd s ALA 50 CO 0.50 -0.08 1.71 0.35 0.00 0.00 0.00 175.76 178.23 1ogd h PHE 51 N 1.11 0.07 -0.41 0.00 3.57 -1.94 -2.08 116.94 117.26 1ogd h PHE 51 Ca -0.47 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.10 1ogd h PHE 51 Cb 1.19 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 1ogd h PHE 51 CO 0.61 -0.04 0.18 1.96 -2.23 0.00 0.00 178.31 178.79 1ogd h GLN 52 N 0.17 0.36 -0.56 1.11 4.20 -1.98 -0.63 115.11 117.78 1ogd h GLN 52 Ca 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1ogd h GLN 52 Cb 0.30 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1ogd h GLN 52 CO -0.32 0.24 0.31 -0.44 -0.67 0.00 0.00 178.83 177.94 1ogd h ASP 53 N 0.37 0.69 -0.31 1.46 3.45 -1.85 -1.13 116.42 119.11 1ogd h ASP 53 Ca 0.18 -0.09 -0.06 0.00 0.43 0.00 0.00 57.03 57.49 1ogd h ASP 53 Cb 0.12 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 1ogd h ASP 53 CO -0.15 0.58 -0.03 0.74 -1.57 0.00 0.00 179.24 178.82 1ogd h THR 54 N 0.75 1.27 -0.75 0.35 2.02 -1.13 -2.52 112.91 112.89 1ogd h THR 54 Ca 0.20 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1ogd h THR 54 Cb 0.04 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1ogd h THR 54 CO -0.03 0.33 0.32 0.00 0.37 0.00 0.00 175.52 176.50 1ogd h ALA 55 N 0.82 1.14 -0.33 6.16 0.00 -1.02 -2.15 119.26 123.87 1ogd h ALA 55 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ogd h ALA 55 Cb 0.49 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ogd h ALA 55 CO 0.02 0.63 0.18 0.00 0.00 0.00 0.00 179.25 180.08 1ogd h ALA 56 N 1.26 0.42 -0.23 0.00 0.00 -1.09 -0.99 119.26 118.63 1ogd h ALA 56 Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ogd h ALA 56 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ogd h ALA 56 CO -0.02 -0.05 0.13 0.28 0.00 0.00 0.00 179.25 179.58 1ogd h VAL 57 N 0.41 1.11 -0.70 0.00 2.07 -1.21 -2.62 116.25 115.30 1ogd h VAL 57 Ca 0.12 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1ogd h VAL 57 Cb 0.06 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1ogd h VAL 57 CO -0.02 0.11 0.35 -0.07 0.02 0.00 0.00 177.57 177.96 1ogd h LEU 58 N 0.26 0.89 -1.66 2.57 -0.00 -1.27 -2.00 115.31 114.10 1ogd h LEU 58 Ca 0.08 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 1ogd h LEU 58 Cb 0.06 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 1ogd h LEU 58 CO -0.01 0.74 0.02 0.00 -0.00 0.00 0.00 178.44 179.20 1ogd h ALA 59 N 1.40 1.73 0.00 1.53 0.00 -0.93 0.46 119.26 123.44 1ogd h ALA 59 Ca 0.24 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ogd h ALA 59 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1ogd h ALA 59 CO -0.03 0.21 -0.66 1.49 0.00 0.00 0.00 179.25 180.25 1ogd h GLU 60 N 0.24 0.00 -0.00 0.00 4.57 -1.02 -3.36 114.58 115.01 1ogd h GLU 60 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1ogd h GLU 60 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1ogd h GLU 60 CO -0.00 0.41 -0.66 0.39 -1.18 0.00 0.00 179.01 177.97 1ogd n GLU 61 N -3.13 2.22 -4.73 1.92 -0.58 -0.84 -4.99 120.64 110.51 1ogd n GLU 61 Ca -0.00 -0.04 -0.25 0.00 -0.42 0.00 0.00 57.16 56.45 1ogd n GLU 61 Cb 0.73 -1.18 -0.15 0.00 -0.57 0.00 0.00 31.44 30.27 1ogd n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ogd s MET 62 N -2.33 1.38 -0.62 3.49 1.75 0.10 -4.94 119.30 118.13 1ogd s MET 62 Ca 0.06 -0.78 -0.26 0.00 -1.25 0.00 0.00 55.69 53.46 1ogd s MET 62 Cb 0.11 -1.41 0.04 0.00 2.84 0.00 0.00 34.83 36.41 1ogd s MET 62 CO 0.58 0.37 1.09 0.00 -0.65 0.00 0.00 175.02 176.42 1ogd s ALA 63 N -0.63 3.01 -0.20 4.11 0.00 -1.26 -4.70 121.76 122.09 1ogd s ALA 63 Ca 0.07 -1.25 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1ogd s ALA 63 Cb -0.08 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.04 1ogd s ALA 63 CO 0.01 -2.74 0.40 0.08 0.00 0.00 0.00 175.76 173.50 1ogd s VAL 64 N 4.67 5.20 -0.21 0.00 1.01 -1.26 0.17 120.40 129.98 1ogd s VAL 64 Ca 0.34 0.71 0.08 0.00 0.00 0.00 0.00 61.98 63.10 1ogd s VAL 64 Cb -0.11 -3.73 -0.21 0.00 0.00 0.00 0.00 36.38 32.33 1ogd s VAL 64 CO 0.18 0.26 0.01 1.21 0.00 0.00 0.00 175.10 176.77 1ogd n GLU 65 N 4.43 0.67 -3.74 2.72 2.13 0.10 -4.77 120.64 122.18 1ogd n GLU 65 Ca -0.08 0.11 -0.14 0.00 0.66 0.00 0.00 57.16 57.71 1ogd n GLU 65 Cb 0.51 -1.56 -0.09 0.00 0.27 0.00 0.00 31.44 30.57 1ogd n GLU 65 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ogd s LYS 66 N -2.52 0.66 -0.04 5.31 2.20 -1.16 -3.83 119.74 120.36 1ogd s LYS 66 Ca -0.22 -0.00 0.05 0.00 -0.36 0.00 0.00 55.97 55.44 1ogd s LYS 66 Cb 0.08 0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 1ogd s LYS 66 CO 0.72 -0.17 -0.20 0.08 -0.36 0.00 0.00 175.35 175.42 1ogd s VAL 67 N -1.00 1.68 -0.05 4.02 1.01 0.24 -0.83 120.40 125.48 1ogd s VAL 67 Ca -0.11 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1ogd s VAL 67 Cb -0.04 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1ogd s VAL 67 CO 0.04 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 174.81 1ogd s ILE 68 N -0.13 1.50 0.21 2.22 1.01 -0.30 -0.63 121.20 125.08 1ogd s ILE 68 Ca -0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 1ogd s ILE 68 Cb -0.12 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1ogd s ILE 68 CO 0.02 0.43 0.24 0.00 0.00 0.00 0.00 174.94 175.63 1ogd s ALA 69 N 0.07 0.67 0.03 9.38 0.00 -0.68 -0.35 121.76 130.88 1ogd s ALA 69 Ca -0.05 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.32 1ogd s ALA 69 Cb -0.12 1.25 -0.06 0.00 0.00 0.00 0.00 23.12 24.19 1ogd s ALA 69 CO 0.03 -0.67 0.55 0.00 0.00 0.00 0.00 175.76 175.66 1ogd s ALA 70 N -4.10 3.57 0.43 0.00 0.00 -1.26 -1.65 121.76 118.75 1ogd s ALA 70 Ca 0.32 -0.02 0.16 0.00 0.00 0.00 0.00 51.96 52.42 1ogd s ALA 70 Cb 0.04 -2.63 1.06 0.00 0.00 0.00 0.00 23.12 21.59 1ogd s ALA 70 CO 0.10 0.33 1.93 0.00 0.00 0.00 0.00 175.76 178.12 1ogd h ALA 71 N 4.98 2.11 -0.07 0.00 0.00 -0.50 -0.98 119.26 124.80 1ogd h ALA 71 Ca -0.48 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ogd h ALA 71 Cb 1.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ogd h ALA 71 CO 0.65 -0.30 0.24 0.93 0.00 0.00 0.00 179.25 180.77 1ogd h GLU 72 N 0.41 0.00 0.00 0.00 3.07 -1.93 -1.28 114.58 114.85 1ogd h GLU 72 Ca 0.35 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.17 1ogd h GLU 72 Cb 0.81 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 1ogd h GLU 72 CO -0.11 0.00 -0.22 0.97 -1.40 0.00 0.00 179.01 178.25 1ogd h ILE 73 N 0.00 0.86 0.00 3.13 2.10 -1.44 -1.82 117.51 120.35 1ogd h ILE 73 Ca 0.03 -0.83 -0.12 0.00 1.08 0.00 0.00 64.86 65.03 1ogd h ILE 73 Cb 0.51 1.49 -0.02 0.00 -1.09 0.00 0.00 36.82 37.71 1ogd h ILE 73 CO -0.00 0.21 -0.56 0.11 -1.08 0.00 0.00 178.15 176.83 1ogd h LYS 74 N 0.00 0.00 0.11 2.19 1.57 -1.43 -1.19 116.57 117.83 1ogd h LYS 74 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1ogd h LYS 74 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ogd h LYS 74 CO 0.03 0.56 -1.26 0.00 -0.57 0.00 0.00 179.45 178.21 1ogd h ALA 75 N 1.44 0.12 -0.02 3.86 0.00 -1.53 -3.38 119.26 119.75 1ogd h ALA 75 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1ogd h ALA 75 Cb 1.10 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ogd h ALA 75 CO 0.07 0.71 -0.12 0.43 0.00 0.00 0.00 179.25 180.34 1ogd n SER 76 N -4.00 2.19 -2.79 0.00 7.64 -0.74 -4.70 113.62 111.23 1ogd n SER 76 Ca -0.23 -1.59 -0.10 0.00 1.01 0.00 0.00 58.87 57.96 1ogd n SER 76 Cb 0.87 0.17 0.07 0.00 -1.01 0.00 0.00 64.21 64.30 1ogd n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ogd n ASN 77 N 0.61 -0.83 -0.21 6.43 2.85 -0.45 -4.71 115.26 118.95 1ogd n ASN 77 Ca 0.09 -2.95 0.18 0.00 -0.11 0.00 0.00 54.58 51.79 1ogd n ASN 77 Cb 0.41 0.65 0.52 0.00 1.24 0.00 0.00 39.78 42.60 1ogd n ASN 77 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1ogd h GLN 78 N 2.66 0.37 0.32 1.20 4.20 -1.73 -0.77 115.11 121.37 1ogd h GLN 78 Ca -0.13 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1ogd h GLN 78 Cb 1.16 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1ogd h GLN 78 CO 0.21 0.25 -0.19 1.49 -0.67 0.00 0.00 178.83 179.91 1ogd h GLU 79 N 0.38 -0.47 -0.08 1.46 4.81 -1.93 -0.54 114.58 118.21 1ogd h GLU 79 Ca 0.43 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.55 1ogd h GLU 79 Cb 1.07 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1ogd h GLU 79 CO -0.14 -0.31 -0.55 -0.91 -0.73 0.00 0.00 179.01 176.36 1ogd h ASN 80 N -0.49 0.26 -0.40 1.04 2.35 -1.77 -2.60 115.58 113.98 1ogd h ASN 80 Ca -0.03 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1ogd h ASN 80 Cb 0.40 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1ogd h ASN 80 CO 0.04 0.76 0.26 0.00 -1.65 0.00 0.00 177.43 176.84 1ogd h ALA 81 N 1.24 0.51 -0.70 -0.83 0.00 -0.95 -1.37 119.26 117.16 1ogd h ALA 81 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1ogd h ALA 81 Cb 1.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ogd h ALA 81 CO 0.09 -0.05 0.16 0.87 0.00 0.00 0.00 179.25 180.32 1ogd h LYS 82 N 0.53 1.12 -0.16 0.00 1.57 -1.01 -2.52 116.57 116.10 1ogd h LYS 82 Ca 0.15 -0.27 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ogd h LYS 82 Cb -0.05 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 1ogd h LYS 82 CO -0.04 0.99 -0.17 0.35 -0.57 0.00 0.00 179.45 180.01 1ogd h PHE 83 N 1.06 -0.45 -0.71 -1.35 3.57 -1.03 -1.79 116.94 116.25 1ogd h PHE 83 Ca 0.22 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1ogd h PHE 83 Cb 0.38 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1ogd h PHE 83 CO 0.03 -0.25 0.40 1.25 -2.23 0.00 0.00 178.31 177.51 1ogd h LEU 84 N -0.20 0.59 -0.84 0.59 5.85 -1.06 0.91 115.31 121.15 1ogd h LEU 84 Ca 0.11 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1ogd h LEU 84 Cb 0.36 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1ogd h LEU 84 CO -0.28 0.38 0.46 -0.33 -0.34 0.00 0.00 178.44 178.33 1ogd h GLU 85 N 0.73 1.17 -0.03 1.25 4.39 -1.01 -2.05 114.58 119.03 1ogd h GLU 85 Ca 0.32 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.70 1ogd h GLU 85 Cb 0.21 -0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1ogd h GLU 85 CO -0.19 0.87 -0.70 -0.91 -1.16 0.00 0.00 179.01 176.91 1ogd h ASN 86 N 1.17 0.66 -0.74 1.42 -0.26 -0.73 -3.11 115.58 114.00 1ogd h ASN 86 Ca 0.30 -0.73 -0.02 0.00 -0.56 0.00 0.00 56.30 55.29 1ogd h ASN 86 Cb 0.03 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.06 1ogd h ASN 86 CO -0.05 1.30 0.41 0.25 -1.06 0.00 0.00 177.43 178.28 1ogd h LEU 87 N 0.09 0.93 -5.14 1.61 5.85 -0.78 -3.14 115.31 114.74 1ogd h LEU 87 Ca -0.08 -0.10 -0.71 0.00 0.84 0.00 0.00 57.88 57.83 1ogd h LEU 87 Cb 1.38 -0.24 -0.33 0.00 0.37 0.00 0.00 40.66 41.85 1ogd h LEU 87 CO 0.14 0.76 0.41 0.49 -0.34 0.00 0.00 178.44 179.90 1ogd n PHE 88 N -4.46 3.17 -0.03 1.25 3.01 -0.78 -4.80 117.46 114.82 1ogd n PHE 88 Ca 0.07 -2.75 -0.09 0.00 1.01 0.00 0.00 57.45 55.69 1ogd n PHE 88 Cb 0.09 -0.83 -0.03 0.00 -0.01 0.00 0.00 39.48 38.70 1ogd n PHE 88 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1ogd h SER 89 N 3.11 -0.17 0.99 4.37 0.02 -1.49 -2.81 113.55 117.57 1ogd h SER 89 Ca 0.45 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.40 1ogd h SER 89 Cb 0.36 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1ogd h SER 89 CO 1.17 -0.06 -0.23 -0.33 -1.14 0.00 0.00 176.83 176.24 1ogd h GLU 90 N -0.00 0.00 -6.76 3.45 5.08 -1.90 -3.46 114.58 110.99 1ogd h GLU 90 Ca 0.09 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.97 1ogd h GLU 90 Cb 0.14 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.41 1ogd h GLU 90 CO -0.19 0.23 -0.03 -0.65 -1.00 0.00 0.00 179.01 177.37 1ogd s GLN 91 N -3.60 3.35 0.04 2.33 1.11 -1.06 -5.06 119.66 116.77 1ogd s GLN 91 Ca 0.01 -0.16 -0.30 0.00 0.01 0.00 0.00 55.36 54.92 1ogd s GLN 91 Cb 0.10 -2.50 -0.04 0.00 -1.01 0.00 0.00 33.01 29.55 1ogd s GLN 91 CO 0.64 -0.16 1.06 -2.00 0.01 0.00 0.00 175.29 174.85 1ogd s GLU 92 N -4.58 4.53 -0.25 2.91 2.12 -1.25 -4.93 118.70 117.25 1ogd s GLU 92 Ca 0.46 1.56 0.01 0.00 0.36 0.00 0.00 54.97 57.37 1ogd s GLU 92 Cb -0.10 -3.40 0.05 0.00 0.26 0.00 0.00 34.13 30.93 1ogd s GLU 92 CO 0.40 -0.09 -0.11 0.42 -0.54 0.00 0.00 175.26 175.34 1ogd s ILE 93 N 0.87 2.35 -0.13 -3.70 1.01 -1.26 -0.59 121.20 119.75 1ogd s ILE 93 Ca 0.54 -1.38 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1ogd s ILE 93 Cb -0.25 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1ogd s ILE 93 CO 0.29 0.11 0.03 -0.70 0.00 0.00 0.00 174.94 174.67 1ogd s GLU 94 N 1.19 3.45 -0.18 2.79 2.12 0.20 -5.00 118.70 123.28 1ogd s GLU 94 Ca -0.04 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 54.86 1ogd s GLU 94 Cb -0.18 -2.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 1ogd s GLU 94 CO -0.06 0.50 -0.00 0.71 -0.54 0.00 0.00 175.26 175.87 1ogd s TYR 95 N -0.30 3.07 0.36 5.30 1.51 -1.26 -1.68 117.35 124.34 1ogd s TYR 95 Ca 0.07 -0.29 0.05 0.00 -1.01 0.00 0.00 57.07 55.89 1ogd s TYR 95 Cb -0.12 -2.03 -0.06 0.00 -0.11 0.00 0.00 41.96 39.63 1ogd s TYR 95 CO 0.02 -0.08 0.05 -0.51 -1.11 0.00 0.00 175.55 173.92 1ogd s LEU 96 N 0.61 2.37 0.58 -1.29 1.43 -0.66 -4.79 118.68 116.94 1ogd s LEU 96 Ca -0.01 -1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 51.52 1ogd s LEU 96 Cb -0.14 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.51 1ogd s LEU 96 CO 0.02 -0.59 1.11 -0.94 0.23 0.00 0.00 176.35 176.19 1ogd s SER 97 N -3.57 5.56 0.41 2.29 1.04 -1.26 0.26 113.70 118.43 1ogd s SER 97 Ca 0.35 2.09 0.13 0.00 0.48 0.00 0.00 55.95 58.99 1ogd s SER 97 Cb 0.09 -2.57 0.97 0.00 0.10 0.00 0.00 66.02 64.61 1ogd s SER 97 CO 0.16 -1.32 1.93 -0.74 0.98 0.00 0.00 173.24 174.24 1ogd h HIS 98 N 0.80 0.56 -0.53 5.02 2.76 -1.92 -0.25 115.15 121.60 1ogd h HIS 98 Ca -0.49 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 57.66 1ogd h HIS 98 Cb 1.25 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 30.01 1ogd h HIS 98 CO 0.53 0.23 0.20 0.93 -1.30 0.00 0.00 177.93 178.52 1ogd h GLU 99 N 0.50 0.81 -0.25 5.26 4.39 -2.00 -1.35 114.58 121.93 1ogd h GLU 99 Ca 0.36 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.76 1ogd h GLU 99 Cb 0.71 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1ogd h GLU 99 CO -0.12 0.72 -0.46 0.93 -1.16 0.00 0.00 179.01 178.91 1ogd h GLU 100 N 0.73 0.66 -0.21 2.33 4.39 -1.70 -2.93 114.58 117.84 1ogd h GLU 100 Ca 0.18 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.56 1ogd h GLU 100 Cb 0.22 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1ogd h GLU 100 CO -0.01 0.98 -0.10 0.35 -1.16 0.00 0.00 179.01 179.06 1ogd h PHE 101 N 0.53 -0.25 -0.89 4.33 3.57 -0.70 -1.97 116.94 121.56 1ogd h PHE 101 Ca 0.03 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.62 1ogd h PHE 101 Cb 1.00 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 1ogd h PHE 101 CO 0.05 -0.16 0.58 0.87 -2.23 0.00 0.00 178.31 177.41 1ogd h LYS 102 N -0.08 0.96 -0.40 1.11 1.57 -1.14 -1.61 116.57 116.97 1ogd h LYS 102 Ca 0.11 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1ogd h LYS 102 Cb 0.25 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1ogd h LYS 102 CO -0.26 0.63 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.16 1ogd h LEU 103 N 0.99 0.63 -1.21 2.94 3.38 -1.20 -2.46 115.31 118.37 1ogd h LEU 103 Ca 0.38 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 1ogd h LEU 103 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ogd h LEU 103 CO -0.15 0.72 -0.32 -0.07 0.09 0.00 0.00 178.44 178.71 1ogd h LEU 104 N 0.62 0.00 -2.19 1.67 3.38 -0.70 -2.92 115.31 115.16 1ogd h LEU 104 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ogd h LEU 104 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ogd h LEU 104 CO 0.02 0.32 0.00 0.71 0.09 0.00 0.00 178.44 179.58 1ogd h THR 105 N 0.00 0.00 0.00 0.22 1.35 -1.07 -2.15 112.91 111.26 1ogd h THR 105 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1ogd h THR 105 Cb 0.73 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1ogd h THR 105 CO 0.04 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1ogd h LYS 106 N 0.00 0.00 -0.02 4.72 1.57 -1.62 -2.33 116.57 118.89 1ogd h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ogd h LYS 106 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ogd h LYS 106 CO 0.00 0.00 -0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 1ogd n ASP 107 N -2.91 2.44 -4.79 0.86 8.00 -0.81 -4.92 116.55 114.42 1ogd n ASP 107 Ca 0.00 -1.81 -0.33 0.00 0.71 0.00 0.00 54.79 53.36 1ogd n ASP 107 Cb 0.25 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1ogd n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogd s ALA 108 N -2.00 2.69 -0.35 2.24 0.00 -0.88 -4.70 121.76 118.75 1ogd s ALA 108 Ca 0.32 0.54 0.20 0.00 0.00 0.00 0.00 51.96 53.02 1ogd s ALA 108 Cb 0.20 -3.28 0.25 0.00 0.00 0.00 0.00 23.12 20.29 1ogd s ALA 108 CO 0.32 -0.84 1.55 0.87 0.00 0.00 0.00 175.76 177.65 1ogd h LYS 109 N 0.64 0.00 -1.60 0.00 1.79 -0.82 -3.46 116.57 113.13 1ogd h LYS 109 Ca -0.48 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.18 1ogd h LYS 109 Cb 1.23 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.68 1ogd h LYS 109 CO 0.57 0.16 0.71 0.00 -1.08 0.00 0.00 179.45 179.80 1ogd s ALA 110 N -3.13 -2.00 -0.14 3.86 0.00 -1.26 -4.25 121.76 114.84 1ogd s ALA 110 Ca 0.06 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.56 1ogd s ALA 110 Cb 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1ogd s ALA 110 CO 0.70 -0.50 -0.20 0.08 0.00 0.00 0.00 175.76 175.84 1ogd s VAL 111 N -2.07 2.27 -0.33 0.00 1.01 -0.24 -0.93 120.40 120.11 1ogd s VAL 111 Ca 0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1ogd s VAL 111 Cb -0.01 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1ogd s VAL 111 CO -0.05 0.54 0.19 -0.63 0.00 0.00 0.00 175.10 175.16 1ogd s ILE 112 N 0.76 4.84 -0.13 2.22 1.01 0.17 -1.27 121.20 128.80 1ogd s ILE 112 Ca -0.08 -0.44 -0.22 0.00 0.00 0.00 0.00 60.65 59.92 1ogd s ILE 112 Cb -0.16 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1ogd s ILE 112 CO -0.00 -0.02 0.64 -0.60 0.00 0.00 0.00 174.94 174.96 1ogd s ARG 113 N 1.64 4.32 0.47 2.79 3.52 -0.22 -0.43 118.95 131.04 1ogd s ARG 113 Ca 0.05 0.71 0.06 0.00 -0.13 0.00 0.00 55.73 56.41 1ogd s ARG 113 Cb -0.18 -3.50 0.06 0.00 -1.56 0.00 0.00 34.95 29.77 1ogd s ARG 113 CO 0.08 -0.06 0.47 0.25 -0.81 0.00 0.00 175.30 175.22 1ogd n THR 114 N 4.18 0.00 0.00 4.11 -2.24 -0.58 -1.08 114.28 118.67 1ogd n THR 114 Ca -0.02 -1.76 0.09 0.00 -2.27 0.00 0.00 64.05 60.10 1ogd n THR 114 Cb 0.51 -0.28 0.27 0.00 -2.10 0.00 0.00 70.33 68.73 1ogd n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogd n GLY 115 N -0.72 1.93 3.67 3.38 0.00 -0.02 -3.80 105.19 109.63 1ogd n GLY 115 Ca 0.04 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1ogd n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ogd n GLU 116 N 1.18 2.86 -1.61 1.61 4.07 -1.21 0.43 120.64 127.96 1ogd n GLU 116 Ca 0.20 1.05 -0.30 0.00 -0.06 0.00 0.00 57.16 58.05 1ogd n GLU 116 Cb 0.57 -2.98 0.06 0.00 -0.06 0.00 0.00 31.44 29.02 1ogd n GLU 116 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1ogd n PHE 117 N 6.96 2.99 -4.49 4.31 3.01 -1.26 -1.82 117.46 127.16 1ogd n PHE 117 Ca 0.19 -2.66 -0.25 0.00 1.01 0.00 0.00 57.45 55.75 1ogd n PHE 117 Cb 0.40 -0.97 -0.13 0.00 -0.01 0.00 0.00 39.48 38.77 1ogd n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ogd s THR 118 N -4.69 1.69 0.28 4.37 -4.23 -1.26 -5.07 115.64 106.73 1ogd s THR 118 Ca 0.59 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 59.44 1ogd s THR 118 Cb 0.47 -1.50 -0.13 0.00 1.34 0.00 0.00 72.50 72.67 1ogd s THR 118 CO 0.01 0.09 1.40 -2.65 -0.54 0.00 0.00 174.62 172.93 1ogd n PRO 119 N 1.51 2.14 -2.41 3.99 -0.02 -1.26 -3.47 135.00 135.48 1ogd n PRO 119 Ca -0.18 0.76 -0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1ogd n PRO 119 Cb 0.53 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1ogd n PRO 119 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ogd n TYR 120 N 1.48 -1.39 -2.02 6.00 4.02 -1.26 -4.57 117.16 119.42 1ogd n TYR 120 Ca 0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 1ogd n TYR 120 Cb 0.33 -2.73 -0.00 0.00 -0.02 0.00 0.00 39.34 36.93 1ogd n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ogd n ALA 121 N -2.15 5.84 -2.58 -0.72 0.00 -1.23 -4.66 120.51 115.02 1ogd n ALA 121 Ca -0.14 -4.09 -0.14 0.00 0.00 0.00 0.00 53.44 49.06 1ogd n ALA 121 Cb 0.60 -3.14 -0.11 0.00 0.00 0.00 0.00 19.45 16.80 1ogd n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ogd s ASN 122 N 1.53 1.32 -0.01 0.00 -0.87 -1.26 -2.96 114.94 112.69 1ogd s ASN 122 Ca 0.46 -0.74 -0.29 0.00 -1.57 0.00 0.00 52.86 50.73 1ogd s ASN 122 Cb 0.13 0.01 0.07 0.00 -0.02 0.00 0.00 41.25 41.44 1ogd s ASN 122 CO -0.04 -0.24 0.67 0.00 -2.57 0.00 0.00 177.10 174.93 1ogd s ILE 124 N -1.77 3.65 -0.23 0.00 1.01 0.53 -1.20 121.20 123.18 1ogd s ILE 124 Ca -0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 1ogd s ILE 124 Cb -0.00 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1ogd s ILE 124 CO 0.04 0.47 0.11 -0.76 0.00 0.00 0.00 174.94 174.80 1ogd s LEU 125 N 0.74 3.81 -0.26 2.97 1.43 -0.42 -1.15 118.68 125.79 1ogd s LEU 125 Ca -0.02 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1ogd s LEU 125 Cb -0.15 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1ogd s LEU 125 CO 0.02 0.04 0.18 -1.58 0.23 0.00 0.00 176.35 175.25 1ogd s GLN 126 N 1.16 4.00 0.40 1.70 0.74 -0.01 -2.19 119.66 125.47 1ogd s GLN 126 Ca 0.06 -0.29 -0.27 0.00 0.05 0.00 0.00 55.36 54.91 1ogd s GLN 126 Cb -0.14 -3.61 -0.10 0.00 1.10 0.00 0.00 33.01 30.26 1ogd s GLN 126 CO 0.04 -0.08 1.40 0.00 -0.55 0.00 0.00 175.29 176.10 1ogd s ALA 127 N 1.48 3.40 0.00 1.58 0.00 0.58 -0.73 121.76 128.07 1ogd s ALA 127 Ca 0.07 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1ogd s ALA 127 Cb -0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.41 1ogd s ALA 127 CO 0.08 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.27 1ogd n GLY 128 N 0.59 2.88 3.24 0.00 0.00 0.13 -1.34 105.19 110.68 1ogd n GLY 128 Ca 0.03 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 1ogd n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogd s VAL 129 N 2.15 1.43 -1.75 1.61 1.01 -1.26 -4.21 120.40 119.39 1ogd s VAL 129 Ca 0.00 -1.49 0.13 0.00 0.00 0.00 0.00 61.98 60.62 1ogd s VAL 129 Cb 0.00 -1.37 0.41 0.00 0.00 0.00 0.00 36.38 35.42 1ogd s VAL 129 CO 0.00 -0.18 1.32 0.18 0.00 0.00 0.00 175.10 176.42 1ogd n LEU 130 N 1.06 2.66 0.00 3.92 4.77 -1.26 -5.08 117.00 123.07 1ogd n LEU 130 Ca -0.19 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 1ogd n LEU 130 Cb 0.54 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1ogd n LEU 130 CO 0.23 0.58 0.00 2.22 -1.33 0.00 0.00 177.39 179.09