#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 4.28 -0.03 0.03 2.20 -1.26 -4.94 119.74 120.02 1ogd s LYS 2 Ca 0.00 2.17 -0.03 0.00 -0.36 0.00 0.00 55.97 57.75 1ogd s LYS 2 Cb 0.00 -3.23 -0.27 0.00 -1.51 0.00 0.00 37.83 32.82 1ogd s LYS 2 CO 0.00 -0.50 0.71 0.87 -0.36 0.00 0.00 175.35 176.07 1ogd h LYS 3 N 6.86 0.25 -5.88 4.03 1.57 -2.05 -3.48 116.57 117.87 1ogd h LYS 3 Ca -0.42 -0.43 -0.61 0.00 -1.87 0.00 0.00 60.65 57.32 1ogd h LYS 3 Cb 1.21 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 33.55 1ogd h LYS 3 CO 0.88 1.10 -0.63 -1.01 -0.57 0.00 0.00 179.45 179.22 1ogd s HIS 4 N -2.60 2.48 0.00 -1.35 3.76 -1.26 -5.08 115.29 111.24 1ogd s HIS 4 Ca -0.12 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 1ogd s HIS 4 Cb 0.07 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 32.21 1ogd s HIS 4 CO 0.83 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 175.63 1ogd n GLY 5 N -0.91 -2.55 3.77 -2.22 0.00 -1.26 -4.94 105.19 97.09 1ogd n GLY 5 Ca -0.05 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.54 2.37 0.20 -0.61 2.07 -1.26 -4.95 121.20 118.48 1ogd s ILE 6 Ca 0.00 0.37 -0.05 0.00 -1.41 0.00 0.00 60.65 59.56 1ogd s ILE 6 Cb 0.00 -3.23 -0.00 0.00 0.13 0.00 0.00 42.46 39.36 1ogd s ILE 6 CO 0.00 0.09 1.57 0.25 -1.91 0.00 0.00 174.94 174.94 1ogd h LEU 7 N 3.29 0.75 -9.36 8.50 5.85 -1.99 -3.44 115.31 118.91 1ogd h LEU 7 Ca -0.50 -0.32 -0.54 0.00 0.84 0.00 0.00 57.88 57.36 1ogd h LEU 7 Cb 1.23 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1ogd h LEU 7 CO 0.66 1.03 0.93 0.21 -0.34 0.00 0.00 178.44 180.92 1ogd s ASN 8 N -6.82 6.76 0.16 1.25 3.84 -1.26 -4.93 114.94 113.94 1ogd s ASN 8 Ca -0.09 2.20 -0.13 0.00 0.21 0.00 0.00 52.86 55.05 1ogd s ASN 8 Cb 0.12 -2.55 0.05 0.00 -0.55 0.00 0.00 41.25 38.32 1ogd s ASN 8 CO 0.84 -0.80 1.70 0.77 -2.79 0.00 0.00 177.10 176.82 1ogd h SER 9 N 8.30 0.75 -0.47 -4.21 4.64 -2.00 -0.57 113.55 120.00 1ogd h SER 9 Ca -0.39 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 1ogd h SER 9 Cb 1.18 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1ogd h SER 9 CO 0.92 0.73 0.26 0.45 -0.87 0.00 0.00 176.83 178.33 1ogd h HIS 10 N 0.73 0.64 -0.45 4.77 3.86 -1.98 -2.75 115.15 119.96 1ogd h HIS 10 Ca 0.18 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1ogd h HIS 10 Cb 0.23 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1ogd h HIS 10 CO 0.01 0.47 -0.14 -0.07 0.86 0.00 0.00 177.93 179.07 1ogd h LEU 11 N 0.62 0.84 -0.83 2.43 3.38 -1.92 -2.92 115.31 116.90 1ogd h LEU 11 Ca 0.16 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1ogd h LEU 11 Cb 0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1ogd h LEU 11 CO -0.03 0.98 0.53 0.00 0.09 0.00 0.00 178.44 180.01 1ogd h ALA 12 N 1.09 1.10 -0.77 1.53 0.00 -0.92 -0.08 119.26 121.20 1ogd h ALA 12 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ogd h ALA 12 Cb 0.65 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ogd h ALA 12 CO 0.05 0.34 0.31 0.87 0.00 0.00 0.00 179.25 180.82 1ogd h LYS 13 N 1.02 1.15 -0.13 0.00 1.57 -1.32 -0.24 116.57 118.62 1ogd h LYS 13 Ca 0.34 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1ogd h LYS 13 Cb 0.03 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1ogd h LYS 13 CO -0.12 0.93 -0.02 0.82 -0.57 0.00 0.00 179.45 180.48 1ogd h ILE 14 N 1.12 1.28 -0.80 1.86 5.03 -1.19 -3.12 117.51 121.69 1ogd h ILE 14 Ca 0.26 -0.92 0.01 0.00 -0.12 0.00 0.00 64.86 64.08 1ogd h ILE 14 Cb 0.21 1.63 -0.04 0.00 -3.03 0.00 0.00 36.82 35.59 1ogd h ILE 14 CO -0.02 0.27 0.53 -0.07 -0.68 0.00 0.00 178.15 178.18 1ogd h LEU 15 N -0.06 0.93 -1.63 1.44 3.38 -0.82 -2.36 115.31 116.19 1ogd h LEU 15 Ca 0.03 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1ogd h LEU 15 Cb 0.42 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ogd h LEU 15 CO 0.01 0.67 0.37 0.00 0.09 0.00 0.00 178.44 179.58 1ogd h ALA 16 N 1.49 1.94 -0.01 1.53 0.00 -0.98 -2.38 119.26 120.85 1ogd h ALA 16 Ca 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ogd h ALA 16 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ogd h ALA 16 CO -0.06 -0.04 -0.25 -0.25 0.00 0.00 0.00 179.25 178.65 1ogd n ASP 17 N -4.47 1.27 -4.75 0.00 8.00 -0.90 -4.96 116.55 110.74 1ogd n ASP 17 Ca 0.08 -1.08 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 1ogd n ASP 17 Cb 0.29 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 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 -2.42 4.37 0.38 0.64 1.43 -0.90 -5.02 118.68 117.17 1ogd s LEU 18 Ca 0.25 2.76 0.06 0.00 -1.03 0.00 0.00 54.13 56.17 1ogd s LEU 18 Cb 0.19 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 1ogd s LEU 18 CO 0.50 -0.75 0.03 -0.83 0.23 0.00 0.00 176.35 175.53 1ogd s GLY 19 N 0.30 2.38 0.04 -3.19 0.00 -1.26 -5.04 107.32 100.54 1ogd s GLY 19 Ca 0.59 -2.12 -0.35 0.00 0.00 0.00 0.00 44.72 42.85 1ogd s GLY 19 CO 0.46 -2.00 1.67 1.57 0.00 0.00 0.00 173.10 174.81 1ogd n HIS 20 N -0.88 2.20 -0.55 1.90 -0.00 -1.26 -1.65 115.22 114.99 1ogd n HIS 20 Ca -0.05 0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1ogd n HIS 20 Cb 0.67 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 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 4.02 0.00 -2.16 3.57 -2.24 -0.31 -5.01 114.28 112.15 1ogd n THR 21 Ca 0.20 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.61 1ogd n THR 21 Cb 0.27 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 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 -3.16 5.84 0.07 3.42 1.01 -0.66 -4.62 116.67 118.57 1ogd s ASP 22 Ca 0.00 2.35 0.10 0.00 0.71 0.00 0.00 52.55 55.71 1ogd s ASP 22 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1ogd s ASP 22 CO 0.00 -1.15 -0.26 -0.54 0.21 0.00 0.00 175.17 173.43 1ogd s LYS 23 N -2.92 1.71 0.09 8.23 1.02 -1.26 -0.73 119.74 125.88 1ogd s LYS 23 Ca 0.68 -1.17 0.05 0.00 0.02 0.00 0.00 55.97 55.55 1ogd s LYS 23 Cb -0.29 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 1ogd s LYS 23 CO 0.35 0.50 -0.12 0.96 -0.92 0.00 0.00 175.35 176.11 1ogd s ILE 24 N -0.89 1.05 -0.05 2.17 -4.36 -0.92 -0.51 121.20 117.69 1ogd s ILE 24 Ca 0.13 -1.51 0.05 0.00 -0.26 0.00 0.00 60.65 59.06 1ogd s ILE 24 Cb -0.10 -1.25 -0.02 0.00 1.25 0.00 0.00 42.46 42.34 1ogd s ILE 24 CO 0.04 -0.41 -0.21 -0.69 0.24 0.00 0.00 174.94 173.91 1ogd s VAL 25 N -1.93 2.45 -0.19 8.37 1.01 0.02 -1.40 120.40 128.72 1ogd s VAL 25 Ca 0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1ogd s VAL 25 Cb -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 1ogd s VAL 25 CO 0.01 0.57 -0.01 -0.63 0.00 0.00 0.00 175.10 175.05 1ogd s ILE 26 N -0.39 3.91 0.17 2.22 1.01 -0.53 0.74 121.20 128.34 1ogd s ILE 26 Ca 0.03 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1ogd s ILE 26 Cb -0.12 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1ogd s ILE 26 CO 0.02 0.44 -0.15 0.00 0.00 0.00 0.00 174.94 175.24 1ogd s ALA 27 N 0.93 1.88 0.90 9.38 0.00 0.40 -1.52 121.76 133.73 1ogd s ALA 27 Ca 0.01 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 1ogd s ALA 27 Cb -0.14 -0.11 0.17 0.00 0.00 0.00 0.00 23.12 23.04 1ogd s ALA 27 CO 0.02 0.12 1.25 0.16 0.00 0.00 0.00 175.76 177.30 1ogd s ASP 28 N -2.93 3.49 0.02 0.00 3.84 -1.04 -1.10 116.67 118.95 1ogd s ASP 28 Ca 0.17 0.22 0.07 0.00 -0.00 0.00 0.00 52.55 53.02 1ogd s ASP 28 Cb -0.03 -0.38 0.32 0.00 -1.38 0.00 0.00 42.92 41.46 1ogd s ASP 28 CO 0.06 -2.48 1.24 0.00 -0.00 0.00 0.00 175.17 173.98 1ogd n ALA 29 N -3.55 1.30 0.50 2.11 0.00 -0.49 -3.29 120.51 117.09 1ogd n ALA 29 Ca 0.14 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1ogd n ALA 29 Cb 0.60 -1.12 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1ogd n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogd n GLY 30 N -0.81 -0.03 3.74 0.00 0.00 -1.26 -5.01 105.19 101.82 1ogd n GLY 30 Ca 0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.30 4.36 0.39 0.99 2.96 -1.21 -4.97 118.68 118.91 1ogd s LEU 31 Ca 0.05 2.81 -0.23 0.00 -0.22 0.00 0.00 54.13 56.54 1ogd s LEU 31 Cb 0.08 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 43.05 1ogd s LEU 31 CO 0.40 -0.85 0.98 -2.16 -1.32 0.00 0.00 176.35 173.39 1ogd s PRO 32 N -0.02 4.30 -0.23 0.98 0.04 -1.26 -5.00 135.00 133.82 1ogd s PRO 32 Ca 0.65 1.29 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1ogd s PRO 32 Cb -0.46 -2.46 -0.03 0.00 0.04 0.00 0.00 34.50 31.59 1ogd s PRO 32 CO 0.42 0.02 0.06 0.08 0.04 0.00 0.00 177.00 177.62 1ogd s VAL 33 N -1.86 4.40 0.63 -0.36 1.01 -1.26 -5.09 120.40 117.87 1ogd s VAL 33 Ca 0.58 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1ogd s VAL 33 Cb -0.16 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1ogd s VAL 33 CO 0.20 0.38 1.21 -2.65 0.00 0.00 0.00 175.10 174.24 1ogd n PRO 34 N 4.49 1.09 -1.98 2.72 -0.02 -1.26 -4.92 135.00 135.12 1ogd n PRO 34 Ca -0.16 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 1ogd n PRO 34 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.31 6.43 0.00 2.55 1.01 -1.26 -2.52 116.67 121.56 1ogd s ASP 35 Ca 0.80 2.80 0.00 0.00 0.71 0.00 0.00 52.55 56.86 1ogd s ASP 35 Cb -0.39 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.89 1ogd s ASP 35 CO 0.43 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.63 1ogd n GLY 36 N 0.65 1.55 3.69 0.21 0.00 -1.26 -5.03 105.19 104.99 1ogd n GLY 36 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.39 5.37 0.22 1.61 1.01 -1.05 -5.05 120.40 120.12 1ogd s VAL 37 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 1ogd s VAL 37 Cb 0.00 -3.50 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 1ogd s VAL 37 CO 0.00 0.38 1.61 -0.22 0.00 0.00 0.00 175.10 176.86 1ogd s LEU 38 N 0.81 4.37 -0.19 3.92 2.96 -1.26 -4.85 118.68 124.44 1ogd s LEU 38 Ca 0.08 2.79 -0.03 0.00 -0.22 0.00 0.00 54.13 56.76 1ogd s LEU 38 Cb -0.13 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 1ogd s LEU 38 CO 0.02 -0.88 -0.07 -0.75 -1.32 0.00 0.00 176.35 173.35 1ogd s LYS 39 N 0.49 3.38 -0.33 1.98 2.20 -1.26 -0.96 119.74 125.25 1ogd s LYS 39 Ca 0.68 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 55.61 1ogd s LYS 39 Cb -0.46 -2.89 0.06 0.00 -1.51 0.00 0.00 37.83 33.02 1ogd s LYS 39 CO 0.38 -0.07 0.08 0.42 -0.36 0.00 0.00 175.35 175.79 1ogd s ILE 40 N 1.12 3.34 -0.36 5.43 1.01 -0.20 -4.98 121.20 126.57 1ogd s ILE 40 Ca 0.01 -1.41 -0.17 0.00 0.00 0.00 0.00 60.65 59.09 1ogd s ILE 40 Cb -0.15 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 1ogd s ILE 40 CO -0.01 -0.24 0.43 -0.62 0.00 0.00 0.00 174.94 174.50 1ogd s ASP 41 N 1.42 6.23 0.00 3.58 3.68 -1.26 -0.95 116.67 129.38 1ogd s ASP 41 Ca -0.02 -0.22 0.21 0.00 2.13 0.00 0.00 52.55 54.66 1ogd s ASP 41 Cb -0.20 -2.23 0.08 0.00 -1.45 0.00 0.00 42.92 39.12 1ogd s ASP 41 CO -0.00 -0.43 1.10 0.18 0.13 0.00 0.00 175.17 176.15 1ogd n LEU 42 N 5.56 2.36 -4.76 -1.34 4.77 0.00 -4.94 117.00 118.66 1ogd n LEU 42 Ca -0.07 -0.88 -0.38 0.00 -0.03 0.00 0.00 56.01 54.65 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 0.43 0.42 0.96 -0.94 -1.33 0.00 0.00 177.39 176.93 1ogd s SER 43 N -2.06 5.51 0.00 -1.43 1.04 -1.18 -4.30 113.70 111.28 1ogd s SER 43 Ca 0.21 2.68 0.00 0.00 0.48 0.00 0.00 55.95 59.33 1ogd s SER 43 Cb 0.17 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1ogd s SER 43 CO 0.40 -1.40 0.00 -0.11 0.98 0.00 0.00 173.24 173.11 1ogd n LEU 44 N -0.83 1.92 -3.64 2.42 7.94 0.27 -4.93 117.00 120.15 1ogd n LEU 44 Ca 0.09 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.92 1ogd n LEU 44 Cb 0.45 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.39 1ogd n LEU 44 CO 0.52 0.30 0.62 -1.59 -1.11 0.00 0.00 177.39 176.13 1ogd s LYS 45 N -1.91 1.18 -0.11 1.96 -2.85 -1.09 -5.04 119.74 111.88 1ogd s LYS 45 Ca 0.00 -0.57 -0.38 0.00 -1.00 0.00 0.00 55.97 54.02 1ogd s LYS 45 Cb 0.00 0.46 -0.16 0.00 -2.06 0.00 0.00 37.83 36.07 1ogd s LYS 45 CO 0.00 -0.53 1.57 -2.30 0.10 0.00 0.00 175.35 174.19 1ogd n PRO 46 N -0.38 1.19 -0.15 1.78 -0.02 -1.26 -0.65 135.00 135.50 1ogd n PRO 46 Ca -0.08 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1ogd n PRO 46 Cb 0.61 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 3.48 1.69 2.85 -1.23 0.00 0.28 -5.00 105.19 107.26 1ogd n GLY 47 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 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 1.55 0.54 0.99 0.20 0.17 -2.92 118.68 119.21 1ogd s LEU 48 Ca 0.00 -0.71 -0.08 0.00 0.69 0.00 0.00 54.13 54.03 1ogd s LEU 48 Cb 0.00 -0.83 -0.04 0.00 -0.43 0.00 0.00 46.19 44.89 1ogd s LEU 48 CO 0.00 -0.22 0.89 -2.16 -0.29 0.00 0.00 176.35 174.57 1ogd s PRO 49 N 1.68 3.55 0.53 0.98 0.04 -1.26 -0.57 135.00 139.96 1ogd s PRO 49 Ca -0.00 0.42 -0.09 0.00 0.04 0.00 0.00 61.00 61.37 1ogd s PRO 49 Cb -0.16 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1ogd s PRO 49 CO -0.07 -0.37 0.90 0.00 0.04 0.00 0.00 177.00 177.50 1ogd s ALA 50 N -2.93 3.25 0.21 8.56 0.00 -1.15 -0.69 121.76 129.02 1ogd s ALA 50 Ca 0.51 -0.27 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 1ogd s ALA 50 Cb -0.11 -2.83 0.23 0.00 0.00 0.00 0.00 23.12 20.41 1ogd s ALA 50 CO 0.49 -0.45 1.83 0.35 0.00 0.00 0.00 175.76 177.98 1ogd h PHE 51 N 0.14 0.79 -0.36 0.00 3.57 -1.94 -1.84 116.94 117.30 1ogd h PHE 51 Ca -0.46 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1ogd h PHE 51 Cb 1.20 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1ogd h PHE 51 CO 0.62 0.42 0.16 1.96 -2.23 0.00 0.00 178.31 179.24 1ogd h GLN 52 N 0.81 0.52 -0.59 1.11 4.20 -1.99 -0.15 115.11 119.02 1ogd h GLN 52 Ca 0.30 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1ogd h GLN 52 Cb 0.10 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1ogd h GLN 52 CO -0.14 0.49 0.33 -0.44 -0.67 0.00 0.00 178.83 178.39 1ogd h ASP 53 N 0.44 0.73 0.15 1.46 3.32 -1.87 -1.85 116.42 118.80 1ogd h ASP 53 Ca 0.12 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1ogd h ASP 53 Cb 0.14 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1ogd h ASP 53 CO -0.01 0.60 -0.07 0.74 -1.72 0.00 0.00 179.24 178.77 1ogd h THR 54 N 0.80 0.96 -0.64 0.35 2.02 -1.16 -2.59 112.91 112.65 1ogd h THR 54 Ca 0.21 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.91 1ogd h THR 54 Cb 0.03 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1ogd h THR 54 CO -0.03 0.12 0.42 0.00 0.37 0.00 0.00 175.52 176.40 1ogd h ALA 55 N 0.33 1.71 -0.30 6.16 0.00 -0.99 -1.81 119.26 124.36 1ogd h ALA 55 Ca -0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1ogd h ALA 55 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ogd h ALA 55 CO 0.03 0.20 -0.13 0.00 0.00 0.00 0.00 179.25 179.36 1ogd h ALA 56 N 1.64 0.42 -0.29 0.00 0.00 -1.26 -1.41 119.26 118.35 1ogd h ALA 56 Ca 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ogd h ALA 56 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ogd h ALA 56 CO -0.08 0.30 0.12 0.28 0.00 0.00 0.00 179.25 179.87 1ogd h VAL 57 N 0.38 1.17 -0.87 0.00 2.07 -1.08 -2.76 116.25 115.17 1ogd h VAL 57 Ca 0.07 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1ogd h VAL 57 Cb 0.64 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1ogd h VAL 57 CO 0.04 0.18 0.53 -0.07 0.02 0.00 0.00 177.57 178.27 1ogd h LEU 58 N 0.33 1.04 -1.72 2.57 -0.00 -1.28 -2.04 115.31 114.21 1ogd h LEU 58 Ca 0.10 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1ogd h LEU 58 Cb 0.17 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 1ogd h LEU 58 CO -0.01 0.79 0.13 0.00 -0.00 0.00 0.00 178.44 179.36 1ogd h ALA 59 N 1.38 1.79 0.00 1.53 0.00 -1.06 -0.44 119.26 122.46 1ogd h ALA 59 Ca 0.31 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1ogd h ALA 59 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ogd h ALA 59 CO -0.06 0.19 -0.72 1.49 0.00 0.00 0.00 179.25 180.14 1ogd h GLU 60 N 0.32 0.00 -0.00 0.00 4.57 -1.10 -3.35 114.58 115.02 1ogd h GLU 60 Ca 0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ogd h GLU 60 Cb 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1ogd h GLU 60 CO -0.01 0.72 -0.71 0.39 -1.18 0.00 0.00 179.01 178.22 1ogd n GLU 61 N -3.42 1.71 -4.68 1.92 -0.58 -0.92 -4.98 120.64 109.69 1ogd n GLU 61 Ca 0.00 -0.10 -0.23 0.00 -0.42 0.00 0.00 57.16 56.41 1ogd n GLU 61 Cb 0.77 -1.26 -0.15 0.00 -0.57 0.00 0.00 31.44 30.23 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 -2.44 1.22 -0.52 3.49 1.75 -0.22 -4.95 119.30 117.62 1ogd s MET 62 Ca 0.07 -0.57 -0.24 0.00 -1.25 0.00 0.00 55.69 53.70 1ogd s MET 62 Cb 0.12 -1.19 0.04 0.00 2.84 0.00 0.00 34.83 36.64 1ogd s MET 62 CO 0.63 0.32 0.92 0.00 -0.65 0.00 0.00 175.02 176.24 1ogd s ALA 63 N -0.41 3.19 -0.22 4.11 0.00 -1.26 -4.69 121.76 122.49 1ogd s ALA 63 Ca 0.06 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 1ogd s ALA 63 Cb -0.06 -3.68 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 1ogd s ALA 63 CO -0.00 -2.26 0.12 0.08 0.00 0.00 0.00 175.76 173.70 1ogd s VAL 64 N 3.82 5.07 -0.08 0.00 1.01 -1.26 0.76 120.40 129.73 1ogd s VAL 64 Ca 0.32 0.08 0.20 0.00 0.00 0.00 0.00 61.98 62.57 1ogd s VAL 64 Cb -0.12 -3.34 -0.30 0.00 0.00 0.00 0.00 36.38 32.62 1ogd s VAL 64 CO 0.21 0.39 0.34 -1.84 0.00 0.00 0.00 175.10 174.21 1ogd n GLU 65 N 4.04 0.69 -3.71 2.72 0.28 -0.40 -4.76 120.64 119.50 1ogd n GLU 65 Ca -0.16 -0.14 -0.14 0.00 -0.16 0.00 0.00 57.16 56.57 1ogd n GLU 65 Cb 0.52 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.80 1ogd n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1ogd s LYS 66 N -3.16 0.65 -0.02 3.44 2.20 -1.18 -3.38 119.74 118.27 1ogd s LYS 66 Ca -0.08 0.25 0.07 0.00 -0.36 0.00 0.00 55.97 55.86 1ogd s LYS 66 Cb 0.11 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1ogd s LYS 66 CO 0.85 -0.14 -0.24 0.08 -0.36 0.00 0.00 175.35 175.53 1ogd s VAL 67 N -0.56 1.93 -0.05 4.02 1.01 0.03 -0.92 120.40 125.86 1ogd s VAL 67 Ca -0.07 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1ogd s VAL 67 Cb -0.03 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1ogd s VAL 67 CO 0.03 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.88 1ogd s ILE 68 N -0.51 1.39 0.20 2.22 1.01 -0.34 -0.70 121.20 124.46 1ogd s ILE 68 Ca 0.08 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 1ogd s ILE 68 Cb -0.10 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1ogd s ILE 68 CO -0.00 0.40 0.23 0.00 0.00 0.00 0.00 174.94 175.57 1ogd s ALA 69 N 0.18 0.63 -0.03 9.38 0.00 -0.33 -0.29 121.76 131.29 1ogd s ALA 69 Ca -0.07 -1.36 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 1ogd s ALA 69 Cb -0.13 1.18 -0.04 0.00 0.00 0.00 0.00 23.12 24.13 1ogd s ALA 69 CO 0.03 -0.65 0.68 0.00 0.00 0.00 0.00 175.76 175.82 1ogd s ALA 70 N -4.09 3.38 0.52 0.00 0.00 -1.26 -1.58 121.76 118.73 1ogd s ALA 70 Ca 0.30 0.13 0.27 0.00 0.00 0.00 0.00 51.96 52.66 1ogd s ALA 70 Cb 0.05 -2.90 1.40 0.00 0.00 0.00 0.00 23.12 21.66 1ogd s ALA 70 CO 0.09 -0.01 1.93 0.00 0.00 0.00 0.00 175.76 177.77 1ogd h ALA 71 N 6.30 2.62 0.00 0.00 0.00 -0.43 -0.06 119.26 127.69 1ogd h ALA 71 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ogd h ALA 71 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ogd h ALA 71 CO 0.73 -0.84 0.00 0.93 0.00 0.00 0.00 179.25 180.08 1ogd h GLU 72 N 0.05 0.00 -0.57 0.00 3.07 -1.93 -2.52 114.58 112.68 1ogd h GLU 72 Ca 0.35 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.16 1ogd h GLU 72 Cb 1.34 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.22 1ogd h GLU 72 CO -0.02 0.00 0.13 0.97 -1.40 0.00 0.00 179.01 178.69 1ogd h ILE 73 N 0.00 1.23 -0.73 3.13 2.10 -1.26 -1.36 117.51 120.62 1ogd h ILE 73 Ca 0.00 -0.86 0.02 0.00 1.08 0.00 0.00 64.86 65.10 1ogd h ILE 73 Cb 0.03 0.66 -0.04 0.00 -1.09 0.00 0.00 36.82 36.38 1ogd h ILE 73 CO 0.00 0.32 0.47 0.11 -1.08 0.00 0.00 178.15 177.98 1ogd h LYS 74 N 0.85 0.92 0.14 2.19 1.57 -1.65 0.24 116.57 120.82 1ogd h LYS 74 Ca 0.18 -0.06 -0.31 0.00 -1.87 0.00 0.00 60.65 58.60 1ogd h LYS 74 Cb 0.32 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ogd h LYS 74 CO 0.00 0.61 -1.51 0.00 -0.57 0.00 0.00 179.45 177.98 1ogd h ALA 75 N 1.29 0.20 0.00 3.86 0.00 -1.68 -3.35 119.26 119.58 1ogd h ALA 75 Ca 0.28 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1ogd h ALA 75 Cb -0.05 0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ogd h ALA 75 CO -0.08 1.07 -1.23 0.43 0.00 0.00 0.00 179.25 179.44 1ogd n SER 76 N -3.49 0.61 -3.03 0.00 7.64 -0.52 -4.68 113.62 110.14 1ogd n SER 76 Ca -0.16 -0.46 -0.17 0.00 1.01 0.00 0.00 58.87 59.09 1ogd n SER 76 Cb 1.05 1.14 -0.01 0.00 -1.01 0.00 0.00 64.21 65.37 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 -1.84 -0.72 -0.25 6.43 2.85 0.82 -4.76 115.26 117.79 1ogd n ASN 77 Ca 0.01 -3.02 -0.00 0.00 -0.11 0.00 0.00 54.58 51.46 1ogd n ASN 77 Cb 0.42 0.25 0.12 0.00 1.24 0.00 0.00 39.78 41.82 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 3.67 0.70 0.05 1.20 4.20 -1.69 -0.69 115.11 122.54 1ogd h GLN 78 Ca 0.00 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.69 1ogd h GLN 78 Cb 0.96 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1ogd h GLN 78 CO 0.40 0.46 -0.16 1.49 -0.67 0.00 0.00 178.83 180.35 1ogd h GLU 79 N 0.72 -0.28 -0.24 1.46 4.81 -1.93 -0.78 114.58 118.34 1ogd h GLU 79 Ca 0.33 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1ogd h GLU 79 Cb 0.24 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1ogd h GLU 79 CO -0.21 -0.19 -0.30 -0.91 -0.73 0.00 0.00 179.01 176.67 1ogd h ASN 80 N -0.29 0.50 -0.63 1.04 2.35 -1.88 -1.50 115.58 115.16 1ogd h ASN 80 Ca 0.04 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1ogd h ASN 80 Cb 0.33 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 1ogd h ASN 80 CO -0.12 0.78 0.33 0.00 -1.65 0.00 0.00 177.43 176.77 1ogd h ALA 81 N 1.25 0.82 -0.51 -0.83 0.00 -0.81 -1.71 119.26 117.46 1ogd h ALA 81 Ca 0.05 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1ogd h ALA 81 Cb 0.75 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1ogd h ALA 81 CO 0.06 0.36 -0.14 0.87 0.00 0.00 0.00 179.25 180.40 1ogd h LYS 82 N 0.87 0.99 -0.58 0.00 1.57 -0.96 -2.53 116.57 115.93 1ogd h LYS 82 Ca 0.22 -0.39 0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1ogd h LYS 82 Cb 0.08 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1ogd h LYS 82 CO -0.03 1.06 0.25 0.35 -0.57 0.00 0.00 179.45 180.51 1ogd h PHE 83 N 0.85 0.44 -0.24 -1.35 3.57 -0.89 -1.17 116.94 118.15 1ogd h PHE 83 Ca 0.13 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1ogd h PHE 83 Cb 0.71 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1ogd h PHE 83 CO 0.05 0.15 0.13 -0.07 -2.23 0.00 0.00 178.31 176.34 1ogd h LEU 84 N 0.45 0.30 -0.58 0.59 3.38 -1.14 0.92 115.31 119.24 1ogd h LEU 84 Ca 0.28 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.24 1ogd h LEU 84 Cb 0.30 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1ogd h LEU 84 CO -0.25 0.30 0.25 -0.33 0.09 0.00 0.00 178.44 178.50 1ogd h GLU 85 N 0.28 0.45 -0.03 1.13 4.39 -0.99 -0.49 114.58 119.32 1ogd h GLU 85 Ca 0.09 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1ogd h GLU 85 Cb 0.07 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1ogd h GLU 85 CO -0.01 0.30 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.20 1ogd h ASN 86 N 0.46 0.06 -0.41 1.42 -0.26 -0.98 -2.11 115.58 113.77 1ogd h ASN 86 Ca 0.28 -0.47 0.01 0.00 -0.56 0.00 0.00 56.30 55.55 1ogd h ASN 86 Cb 0.29 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.51 1ogd h ASN 86 CO -0.25 0.52 0.26 0.25 -1.06 0.00 0.00 177.43 177.16 1ogd h LEU 87 N -0.40 0.45 -3.91 1.61 5.85 -0.63 -3.00 115.31 115.28 1ogd h LEU 87 Ca 0.00 -0.01 -0.62 0.00 0.84 0.00 0.00 57.88 58.09 1ogd h LEU 87 Cb 0.50 -0.11 -0.32 0.00 0.37 0.00 0.00 40.66 41.10 1ogd h LEU 87 CO 0.01 0.33 0.40 0.49 -0.34 0.00 0.00 178.44 179.32 1ogd n PHE 88 N -4.81 3.03 0.01 1.25 3.01 -0.21 -4.73 117.46 115.01 1ogd n PHE 88 Ca 0.01 -2.73 0.20 0.00 1.01 0.00 0.00 57.45 55.94 1ogd n PHE 88 Cb 0.03 -1.12 0.69 0.00 -0.01 0.00 0.00 39.48 39.07 1ogd n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ogd h SER 89 N 1.97 0.01 0.79 4.37 4.64 -1.23 -1.48 113.55 122.61 1ogd h SER 89 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ogd h SER 89 Cb 1.12 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1ogd h SER 89 CO 1.32 0.00 -0.63 -0.62 -0.87 0.00 0.00 176.83 176.04 1ogd n GLU 90 N -4.38 0.25 -3.12 4.77 1.02 -1.26 -4.92 120.64 113.00 1ogd n GLU 90 Ca 0.09 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 1ogd n GLU 90 Cb 0.59 -1.65 0.01 0.00 -0.02 0.00 0.00 31.44 30.36 1ogd n GLU 90 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ogd s GLN 91 N -3.14 3.08 0.01 3.49 1.11 -0.56 -5.06 119.66 118.59 1ogd s GLN 91 Ca 0.07 -0.62 -0.29 0.00 0.01 0.00 0.00 55.36 54.52 1ogd s GLN 91 Cb 0.14 -2.63 -0.04 0.00 -1.01 0.00 0.00 33.01 29.48 1ogd s GLN 91 CO 0.72 -0.18 0.95 -2.00 0.01 0.00 0.00 175.29 174.79 1ogd s GLU 92 N -4.45 4.57 -0.17 2.91 2.12 -1.22 -4.93 118.70 117.53 1ogd s GLU 92 Ca 0.47 1.37 -0.01 0.00 0.36 0.00 0.00 54.97 57.17 1ogd s GLU 92 Cb -0.10 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 1ogd s GLU 92 CO 0.36 0.01 -0.13 0.42 -0.54 0.00 0.00 175.26 175.38 1ogd s ILE 93 N 0.81 2.79 -0.10 -3.70 1.01 -1.26 -0.79 121.20 119.97 1ogd s ILE 93 Ca 0.50 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1ogd s ILE 93 Cb -0.21 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1ogd s ILE 93 CO 0.27 0.50 -0.16 -0.70 0.00 0.00 0.00 174.94 174.85 1ogd s GLU 94 N 1.01 3.08 -0.18 2.79 2.12 0.12 -4.99 118.70 122.65 1ogd s GLU 94 Ca -0.01 -0.74 -0.04 0.00 0.36 0.00 0.00 54.97 54.54 1ogd s GLU 94 Cb -0.15 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 1ogd s GLU 94 CO -0.02 0.31 -0.03 0.71 -0.54 0.00 0.00 175.26 175.68 1ogd s TYR 95 N 0.08 3.00 0.36 5.30 1.51 -1.26 -1.19 117.35 125.15 1ogd s TYR 95 Ca -0.07 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 1ogd s TYR 95 Cb -0.15 -2.02 -0.07 0.00 -0.11 0.00 0.00 41.96 39.61 1ogd s TYR 95 CO 0.05 -0.20 0.03 -0.51 -1.11 0.00 0.00 175.55 173.82 1ogd s LEU 96 N 0.75 2.48 0.67 -1.29 1.43 -0.61 -4.77 118.68 117.34 1ogd s LEU 96 Ca -0.01 -1.37 -0.14 0.00 -1.03 0.00 0.00 54.13 51.58 1ogd s LEU 96 Cb -0.14 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.48 1ogd s LEU 96 CO 0.02 -0.53 1.10 -0.94 0.23 0.00 0.00 176.35 176.22 1ogd s SER 97 N -3.58 5.12 0.42 2.29 1.04 -1.26 0.32 113.70 118.05 1ogd s SER 97 Ca 0.36 1.91 0.12 0.00 0.48 0.00 0.00 55.95 58.82 1ogd s SER 97 Cb 0.09 -2.54 0.98 0.00 0.10 0.00 0.00 66.02 64.65 1ogd s SER 97 CO 0.16 -1.62 1.99 -0.74 0.98 0.00 0.00 173.24 174.01 1ogd h HIS 98 N -0.17 0.47 -0.23 5.02 2.76 -1.92 -0.20 115.15 120.88 1ogd h HIS 98 Ca -0.46 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.71 1ogd h HIS 98 Cb 1.24 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 1ogd h HIS 98 CO 0.56 0.24 0.10 0.93 -1.30 0.00 0.00 177.93 178.46 1ogd h GLU 99 N 0.46 0.34 -0.27 5.26 4.39 -2.00 -0.86 114.58 121.89 1ogd h GLU 99 Ca 0.26 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.80 1ogd h GLU 99 Cb 0.43 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1ogd h GLU 99 CO -0.07 0.38 -0.25 0.93 -1.16 0.00 0.00 179.01 178.83 1ogd h GLU 100 N 0.22 0.53 -0.03 2.33 5.08 -1.75 -2.79 114.58 118.18 1ogd h GLU 100 Ca 0.08 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1ogd h GLU 100 Cb 0.16 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ogd h GLU 100 CO -0.01 0.74 -0.09 0.35 -1.00 0.00 0.00 179.01 179.00 1ogd h PHE 101 N 0.47 -0.22 -0.97 4.33 3.57 -0.66 -2.03 116.94 121.42 1ogd h PHE 101 Ca 0.07 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1ogd h PHE 101 Cb 0.69 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 1ogd h PHE 101 CO 0.02 -0.14 0.61 0.87 -2.23 0.00 0.00 178.31 177.45 1ogd h LYS 102 N -0.14 1.03 -0.70 1.11 1.57 -0.99 -1.37 116.57 117.07 1ogd h LYS 102 Ca 0.04 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ogd h LYS 102 Cb 0.20 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1ogd h LYS 102 CO -0.11 0.68 0.38 -0.07 -0.57 0.00 0.00 179.45 179.75 1ogd h LEU 103 N 1.06 0.87 -1.29 2.94 4.07 -1.15 -2.20 115.31 119.60 1ogd h LEU 103 Ca 0.44 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.27 1ogd h LEU 103 Cb 0.28 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 1ogd h LEU 103 CO -0.21 0.71 -0.30 -0.07 -1.08 0.00 0.00 178.44 177.49 1ogd h LEU 104 N 0.98 0.00 -1.41 1.67 3.38 -0.57 -2.81 115.31 116.55 1ogd h LEU 104 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ogd h LEU 104 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ogd h LEU 104 CO -0.04 0.30 0.00 0.71 0.09 0.00 0.00 178.44 179.50 1ogd h THR 105 N 0.00 0.00 0.00 0.22 1.35 -1.05 -2.22 112.91 111.21 1ogd h THR 105 Ca -0.00 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 1ogd h THR 105 Cb 0.67 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1ogd h THR 105 CO 0.04 0.00 -0.14 0.11 -0.25 0.00 0.00 175.52 175.28 1ogd h LYS 106 N 0.00 0.00 -0.01 4.72 1.57 -1.60 -2.49 116.57 118.75 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 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ogd h LYS 106 CO 0.00 0.14 -0.11 -0.25 -0.57 0.00 0.00 179.45 178.66 1ogd n ASP 107 N -3.89 1.61 -4.78 0.86 8.00 -0.83 -4.92 116.55 112.59 1ogd n ASP 107 Ca -0.02 -1.39 -0.35 0.00 0.71 0.00 0.00 54.79 53.74 1ogd n ASP 107 Cb 0.24 0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.19 2.83 -0.26 2.24 0.00 -0.94 -4.67 121.76 118.77 1ogd s ALA 108 Ca 0.31 0.80 0.23 0.00 0.00 0.00 0.00 51.96 53.29 1ogd s ALA 108 Cb 0.20 -3.34 0.45 0.00 0.00 0.00 0.00 23.12 20.43 1ogd s ALA 108 CO 0.40 -0.60 1.64 0.87 0.00 0.00 0.00 175.76 178.07 1ogd h LYS 109 N 1.58 0.00 -1.87 0.00 1.79 -1.14 -3.45 116.57 113.49 1ogd h LYS 109 Ca -0.50 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.15 1ogd h LYS 109 Cb 1.25 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.72 1ogd h LYS 109 CO 0.59 0.13 0.64 0.00 -1.08 0.00 0.00 179.45 179.73 1ogd s ALA 110 N -3.24 -1.94 -0.13 3.86 0.00 -1.26 -4.14 121.76 114.91 1ogd s ALA 110 Ca 0.05 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.35 1ogd s ALA 110 Cb 0.06 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1ogd s ALA 110 CO 0.67 -0.62 -0.18 0.08 0.00 0.00 0.00 175.76 175.71 1ogd s VAL 111 N -2.66 1.76 -0.37 0.00 1.01 -0.13 -0.80 120.40 119.21 1ogd s VAL 111 Ca 0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1ogd s VAL 111 Cb -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1ogd s VAL 111 CO -0.06 0.49 0.25 -0.63 0.00 0.00 0.00 175.10 175.14 1ogd s ILE 112 N 0.99 5.10 -0.20 2.22 1.01 0.23 -1.03 121.20 129.51 1ogd s ILE 112 Ca -0.05 -0.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.90 1ogd s ILE 112 Cb -0.15 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 1ogd s ILE 112 CO -0.03 -0.14 0.67 -0.60 0.00 0.00 0.00 174.94 174.84 1ogd s ARG 113 N 1.67 4.21 0.59 2.79 3.52 -0.12 -0.45 118.95 131.16 1ogd s ARG 113 Ca 0.05 0.68 0.10 0.00 -0.13 0.00 0.00 55.73 56.43 1ogd s ARG 113 Cb -0.18 -3.59 0.09 0.00 -1.56 0.00 0.00 34.95 29.71 1ogd s ARG 113 CO 0.09 -0.29 0.80 0.95 -0.81 0.00 0.00 175.30 176.04 1ogd s THR 114 N 2.08 2.01 -1.59 4.11 -4.23 -0.25 -0.82 115.64 116.95 1ogd s THR 114 Ca 0.30 -1.03 0.15 0.00 -1.18 0.00 0.00 61.69 59.94 1ogd s THR 114 Cb -0.16 -2.04 0.53 0.00 1.34 0.00 0.00 72.50 72.17 1ogd s THR 114 CO 0.10 0.00 1.42 0.61 -0.54 0.00 0.00 174.62 176.21 1ogd n GLY 115 N -2.26 1.87 3.69 3.99 0.00 0.13 -3.60 105.19 109.00 1ogd n GLY 115 Ca 0.16 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1ogd n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ogd s GLU 116 N -1.53 4.14 -0.45 1.61 2.56 -1.23 1.00 118.70 124.81 1ogd s GLU 116 Ca 0.38 2.57 0.03 0.00 0.00 0.00 0.00 54.97 57.96 1ogd s GLU 116 Cb 0.22 -3.69 0.46 0.00 2.00 0.00 0.00 34.13 33.12 1ogd s GLU 116 CO 0.22 -0.85 1.54 1.19 -0.56 0.00 0.00 175.26 176.80 1ogd n PHE 117 N 6.00 2.94 -4.52 5.30 3.01 -1.26 -1.40 117.46 127.53 1ogd n PHE 117 Ca 0.18 -2.55 -0.23 0.00 1.01 0.00 0.00 57.45 55.85 1ogd n PHE 117 Cb 0.39 -0.80 -0.14 0.00 -0.01 0.00 0.00 39.48 38.92 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 -4.68 1.47 0.24 4.37 -4.23 -1.26 -5.07 115.64 106.47 1ogd s THR 118 Ca 0.57 -1.14 -0.31 0.00 -1.18 0.00 0.00 61.69 59.63 1ogd s THR 118 Cb 0.45 -1.29 -0.14 0.00 1.34 0.00 0.00 72.50 72.86 1ogd s THR 118 CO 0.02 0.12 1.25 -2.65 -0.54 0.00 0.00 174.62 172.82 1ogd n PRO 119 N 1.84 1.66 -2.62 3.99 -0.02 -1.26 -3.37 135.00 135.21 1ogd n PRO 119 Ca -0.18 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.76 1ogd n PRO 119 Cb 0.54 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.32 -1.55 -2.07 6.00 4.02 -1.26 -4.55 117.16 119.07 1ogd n TYR 120 Ca 0.12 0.09 -0.42 0.00 -0.01 0.00 0.00 57.90 57.68 1ogd n TYR 120 Cb 0.30 -2.63 0.00 0.00 -0.02 0.00 0.00 39.34 36.98 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 -2.50 5.69 -2.66 -0.72 0.00 -1.22 -4.64 120.51 114.46 1ogd n ALA 121 Ca -0.11 -4.12 -0.09 0.00 0.00 0.00 0.00 53.44 49.12 1ogd n ALA 121 Cb 0.59 -3.15 -0.11 0.00 0.00 0.00 0.00 19.45 16.78 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 1.56 0.41 0.12 0.00 -0.87 -1.26 -2.49 114.94 112.40 1ogd s ASN 122 Ca 0.45 -0.68 -0.22 0.00 -1.57 0.00 0.00 52.86 50.84 1ogd s ASN 122 Cb 0.12 0.12 0.06 0.00 -0.02 0.00 0.00 41.25 41.53 1ogd s ASN 122 CO -0.04 -0.39 0.54 0.00 -2.57 0.00 0.00 177.10 174.64 1ogd s ILE 124 N -3.38 3.27 -0.26 0.00 1.01 0.60 -1.45 121.20 121.00 1ogd s ILE 124 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 1ogd s ILE 124 Cb -0.00 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 1ogd s ILE 124 CO -0.09 0.48 0.14 -0.76 0.00 0.00 0.00 174.94 174.71 1ogd s LEU 125 N 0.79 3.85 -0.33 2.97 1.43 -0.49 -1.20 118.68 125.70 1ogd s LEU 125 Ca -0.03 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 1ogd s LEU 125 Cb -0.15 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 1ogd s LEU 125 CO 0.01 -0.02 0.22 -1.58 0.23 0.00 0.00 176.35 175.22 1ogd s GLN 126 N 1.55 3.54 0.33 1.70 0.74 -0.10 -2.16 119.66 125.25 1ogd s GLN 126 Ca 0.07 -0.61 -0.29 0.00 0.05 0.00 0.00 55.36 54.58 1ogd s GLN 126 Cb -0.15 -3.76 -0.12 0.00 1.10 0.00 0.00 33.01 30.08 1ogd s GLN 126 CO 0.07 -0.40 1.33 0.00 -0.55 0.00 0.00 175.29 175.74 1ogd n ALA 127 N 5.08 1.40 -2.59 1.58 0.00 0.09 -1.28 120.51 124.80 1ogd n ALA 127 Ca -0.13 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1ogd n ALA 127 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1ogd n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogd n GLY 128 N 1.02 2.53 3.27 0.00 0.00 0.23 -1.16 105.19 111.09 1ogd n GLY 128 Ca 0.06 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 1ogd n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogd s VAL 129 N 1.35 1.71 -2.15 1.61 0.11 -1.26 -4.34 120.40 117.43 1ogd s VAL 129 Ca 0.00 -1.40 0.28 0.00 -2.93 0.00 0.00 61.98 57.93 1ogd s VAL 129 Cb 0.00 -1.53 0.71 0.00 -1.53 0.00 0.00 36.38 34.03 1ogd s VAL 129 CO 0.00 0.07 1.95 0.18 -3.33 0.00 0.00 175.10 173.97 1ogd n LEU 130 N 1.42 0.53 0.00 2.54 4.77 -1.26 -5.10 117.00 119.90 1ogd n LEU 130 Ca -0.18 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1ogd n LEU 130 Cb 0.53 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ogd n LEU 130 CO 0.23 0.09 0.00 2.22 -1.33 0.00 0.00 177.39 178.60