#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 4.35 0.07 0.03 2.20 -1.26 -4.95 119.74 120.17 1ogd s LYS 2 Ca 0.00 1.64 -0.16 0.00 -0.36 0.00 0.00 55.97 57.10 1ogd s LYS 2 Cb 0.00 -3.57 -0.17 0.00 -1.51 0.00 0.00 37.83 32.57 1ogd s LYS 2 CO 0.00 -0.46 1.26 0.87 -0.36 0.00 0.00 175.35 176.66 1ogd h LYS 3 N 7.49 0.65 -5.82 4.03 1.57 -2.05 -3.47 116.57 118.97 1ogd h LYS 3 Ca -0.33 -0.54 -0.61 0.00 -1.87 0.00 0.00 60.65 57.31 1ogd h LYS 3 Cb 1.15 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.46 1ogd h LYS 3 CO 0.89 1.15 -0.59 -1.01 -0.57 0.00 0.00 179.45 179.32 1ogd s HIS 4 N -3.69 2.53 0.00 -1.35 3.76 -1.26 -5.08 115.29 110.20 1ogd s HIS 4 Ca -0.12 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 1ogd s HIS 4 Cb 0.07 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 32.04 1ogd s HIS 4 CO 0.86 0.41 0.00 0.41 -0.85 0.00 0.00 174.74 175.58 1ogd n GLY 5 N -1.01 -2.60 3.77 -2.22 0.00 -1.26 -4.94 105.19 96.93 1ogd n GLY 5 Ca -0.04 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.48 2.54 0.13 -0.61 2.07 -1.26 -4.96 121.20 118.62 1ogd s ILE 6 Ca 0.00 0.46 -0.07 0.00 -1.41 0.00 0.00 60.65 59.63 1ogd s ILE 6 Cb 0.00 -3.26 -0.16 0.00 0.13 0.00 0.00 42.46 39.17 1ogd s ILE 6 CO 0.00 0.05 1.33 0.25 -1.91 0.00 0.00 174.94 174.66 1ogd h LEU 7 N 2.39 0.71 -9.33 8.50 5.85 -1.99 -3.45 115.31 117.99 1ogd h LEU 7 Ca -0.50 -0.50 -0.54 0.00 0.84 0.00 0.00 57.88 57.18 1ogd h LEU 7 Cb 1.26 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ogd h LEU 7 CO 0.61 1.28 1.05 0.21 -0.34 0.00 0.00 178.44 181.26 1ogd s ASN 8 N -7.09 6.65 0.21 1.25 3.84 -1.26 -4.91 114.94 113.64 1ogd s ASN 8 Ca -0.08 2.33 -0.09 0.00 0.21 0.00 0.00 52.86 55.24 1ogd s ASN 8 Cb 0.09 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.41 1ogd s ASN 8 CO 0.88 -0.91 1.83 0.77 -2.79 0.00 0.00 177.10 176.88 1ogd h SER 9 N 9.15 1.01 -0.41 -4.21 4.64 -1.99 -0.63 113.55 121.11 1ogd h SER 9 Ca -0.41 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1ogd h SER 9 Cb 1.19 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1ogd h SER 9 CO 0.94 0.83 0.18 0.45 -0.87 0.00 0.00 176.83 178.36 1ogd h HIS 10 N 1.12 0.61 -0.24 4.77 3.86 -1.99 -2.79 115.15 120.51 1ogd h HIS 10 Ca 0.28 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.31 1ogd h HIS 10 Cb 0.04 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 1ogd h HIS 10 CO 0.00 0.53 -0.45 -0.07 0.86 0.00 0.00 177.93 178.80 1ogd h LEU 11 N 0.52 0.65 -1.26 2.43 3.38 -1.92 -2.97 115.31 116.14 1ogd h LEU 11 Ca 0.14 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1ogd h LEU 11 Cb 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 1ogd h LEU 11 CO -0.01 1.00 0.52 0.00 0.09 0.00 0.00 178.44 180.04 1ogd h ALA 12 N 1.02 1.53 -0.44 1.53 0.00 -1.00 -0.36 119.26 121.54 1ogd h ALA 12 Ca 0.03 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1ogd h ALA 12 Cb 0.98 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ogd h ALA 12 CO 0.09 0.39 -0.17 0.87 0.00 0.00 0.00 179.25 180.42 1ogd h LYS 13 N 0.96 0.84 -0.25 0.00 1.57 -1.34 -1.68 116.57 116.66 1ogd h LYS 13 Ca 0.31 -0.32 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1ogd h LYS 13 Cb 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ogd h LYS 13 CO -0.09 0.95 -0.45 0.82 -0.57 0.00 0.00 179.45 180.11 1ogd h ILE 14 N 0.74 1.30 -0.36 1.86 2.04 -1.25 -3.12 117.51 118.71 1ogd h ILE 14 Ca 0.11 -1.65 -0.07 0.00 1.00 0.00 0.00 64.86 64.25 1ogd h ILE 14 Cb 0.69 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1ogd h ILE 14 CO 0.05 0.53 -0.07 -0.07 0.00 0.00 0.00 178.15 178.58 1ogd h LEU 15 N 0.49 0.59 -1.83 1.44 3.38 -1.03 -2.78 115.31 115.56 1ogd h LEU 15 Ca 0.02 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1ogd h LEU 15 Cb 1.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1ogd h LEU 15 CO 0.10 0.71 0.17 0.00 0.09 0.00 0.00 178.44 179.51 1ogd h ALA 16 N 1.36 1.97 -0.02 1.53 0.00 -1.24 -2.28 119.26 120.57 1ogd h ALA 16 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ogd h ALA 16 Cb 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ogd h ALA 16 CO 0.03 -0.01 -0.07 -0.25 0.00 0.00 0.00 179.25 178.95 1ogd n ASP 17 N -4.49 1.98 -4.73 0.00 8.00 -1.06 -4.96 116.55 111.28 1ogd n ASP 17 Ca 0.02 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 1ogd n ASP 17 Cb 0.17 0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 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 -2.09 4.39 0.42 0.64 1.43 -0.86 -5.03 118.68 117.57 1ogd s LEU 18 Ca 0.32 2.54 0.06 0.00 -1.03 0.00 0.00 54.13 56.02 1ogd s LEU 18 Cb 0.20 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1ogd s LEU 18 CO 0.36 -0.67 0.01 -0.83 0.23 0.00 0.00 176.35 175.45 1ogd s GLY 19 N 0.62 2.54 0.10 -3.19 0.00 -1.26 -5.04 107.32 101.10 1ogd s GLY 19 Ca 0.61 -2.12 -0.35 0.00 0.00 0.00 0.00 44.72 42.86 1ogd s GLY 19 CO 0.38 -2.10 1.55 1.57 0.00 0.00 0.00 173.10 174.50 1ogd n HIS 20 N -0.99 2.06 -0.78 1.90 -0.00 -1.26 -1.75 115.22 114.41 1ogd n HIS 20 Ca -0.06 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.47 1ogd n HIS 20 Cb 0.67 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 28.05 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 3.39 0.00 -2.05 3.57 -2.24 0.05 -4.99 114.28 112.01 1ogd n THR 21 Ca 0.18 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.61 1ogd n THR 21 Cb 0.26 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 5.37 0.05 3.42 1.01 -0.72 -4.56 116.67 118.08 1ogd s ASP 22 Ca 0.00 2.23 0.08 0.00 0.71 0.00 0.00 52.55 55.57 1ogd s ASP 22 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1ogd s ASP 22 CO 0.00 -1.46 -0.22 -0.54 0.21 0.00 0.00 175.17 173.15 1ogd s LYS 23 N -3.46 1.46 0.09 8.23 1.02 -1.26 -0.20 119.74 125.62 1ogd s LYS 23 Ca 0.73 -1.01 0.06 0.00 0.02 0.00 0.00 55.97 55.77 1ogd s LYS 23 Cb -0.26 -1.62 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1ogd s LYS 23 CO 0.32 0.41 -0.14 0.96 -0.92 0.00 0.00 175.35 175.98 1ogd s ILE 24 N -0.84 1.22 -0.03 2.17 -4.36 -0.93 -0.36 121.20 118.07 1ogd s ILE 24 Ca 0.09 -1.48 0.06 0.00 -0.26 0.00 0.00 60.65 59.06 1ogd s ILE 24 Cb -0.09 -1.27 -0.02 0.00 1.25 0.00 0.00 42.46 42.32 1ogd s ILE 24 CO 0.02 -0.29 -0.21 -0.69 0.24 0.00 0.00 174.94 174.01 1ogd s VAL 25 N -1.61 2.48 -0.19 8.37 1.01 0.18 -1.18 120.40 129.45 1ogd s VAL 25 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1ogd s VAL 25 Cb -0.08 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1ogd s VAL 25 CO 0.03 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.04 1ogd s ILE 26 N -0.65 3.63 0.22 2.22 1.01 -0.56 0.71 121.20 127.77 1ogd s ILE 26 Ca 0.10 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.41 1ogd s ILE 26 Cb -0.10 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 1ogd s ILE 26 CO -0.00 0.45 -0.16 0.00 0.00 0.00 0.00 174.94 175.23 1ogd s ALA 27 N 0.95 2.16 0.86 9.38 0.00 1.00 -1.82 121.76 134.29 1ogd s ALA 27 Ca 0.00 -1.70 -0.09 0.00 0.00 0.00 0.00 51.96 50.16 1ogd s ALA 27 Cb -0.15 -0.12 0.17 0.00 0.00 0.00 0.00 23.12 23.02 1ogd s ALA 27 CO 0.01 0.11 1.18 0.16 0.00 0.00 0.00 175.76 177.22 1ogd s ASP 28 N -3.35 3.66 0.14 0.00 3.84 -1.13 -1.17 116.67 118.66 1ogd s ASP 28 Ca 0.24 -0.00 0.13 0.00 -0.00 0.00 0.00 52.55 52.92 1ogd s ASP 28 Cb -0.02 -0.19 0.64 0.00 -1.38 0.00 0.00 42.92 41.98 1ogd s ASP 28 CO 0.08 -2.35 1.41 0.00 -0.00 0.00 0.00 175.17 174.32 1ogd n ALA 29 N -3.36 1.26 0.44 2.11 0.00 -0.38 -3.27 120.51 117.32 1ogd n ALA 29 Ca 0.15 0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.73 1ogd n ALA 29 Cb 0.60 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 -0.87 -0.46 3.70 0.00 0.00 -1.26 -4.99 105.19 101.30 1ogd n GLY 30 Ca 0.01 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.14 4.39 0.52 0.99 2.96 -1.20 -4.96 118.68 118.24 1ogd s LEU 31 Ca 0.02 2.80 -0.18 0.00 -0.22 0.00 0.00 54.13 56.54 1ogd s LEU 31 Cb 0.10 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 43.15 1ogd s LEU 31 CO 0.60 -1.00 1.03 -2.16 -1.32 0.00 0.00 176.35 173.51 1ogd s PRO 32 N 2.26 3.67 -0.21 0.98 0.04 -1.26 -4.97 135.00 135.50 1ogd s PRO 32 Ca 0.79 1.25 -0.06 0.00 0.04 0.00 0.00 61.00 63.02 1ogd s PRO 32 Cb -0.47 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1ogd s PRO 32 CO 0.35 -0.53 0.02 0.08 0.04 0.00 0.00 177.00 176.96 1ogd s VAL 33 N -2.23 4.11 0.57 -0.36 1.01 -1.26 -5.09 120.40 117.15 1ogd s VAL 33 Ca 0.65 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 1ogd s VAL 33 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1ogd s VAL 33 CO 0.27 0.41 1.30 -2.65 0.00 0.00 0.00 175.10 174.43 1ogd n PRO 34 N 4.37 1.51 -1.90 2.72 -0.02 -1.26 -4.91 135.00 135.51 1ogd n PRO 34 Ca -0.17 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1ogd n PRO 34 Cb 0.52 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 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 -1.02 6.41 0.00 2.55 1.01 -1.26 -2.36 116.67 122.00 1ogd s ASP 35 Ca 0.74 2.93 0.00 0.00 0.71 0.00 0.00 52.55 56.92 1ogd s ASP 35 Cb -0.41 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 40.85 1ogd s ASP 35 CO 0.48 -0.81 0.00 0.61 0.21 0.00 0.00 175.17 175.65 1ogd n GLY 36 N 0.57 2.09 3.73 0.21 0.00 -1.26 -5.03 105.19 105.50 1ogd n GLY 36 Ca 0.01 0.00 -0.36 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 -2.32 5.31 0.23 1.61 1.01 -1.00 -5.05 120.40 120.21 1ogd s VAL 37 Ca 0.00 0.52 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 1ogd s VAL 37 Cb 0.00 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1ogd s VAL 37 CO 0.00 0.39 1.54 -0.22 0.00 0.00 0.00 175.10 176.81 1ogd s LEU 38 N 0.47 4.37 -0.19 3.92 2.96 -1.26 -4.85 118.68 124.11 1ogd s LEU 38 Ca 0.16 2.75 -0.02 0.00 -0.22 0.00 0.00 54.13 56.80 1ogd s LEU 38 Cb -0.13 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 1ogd s LEU 38 CO 0.03 -0.82 -0.09 -0.75 -1.32 0.00 0.00 176.35 173.41 1ogd s LYS 39 N 0.13 3.33 -0.32 1.98 2.20 -1.26 -0.53 119.74 125.28 1ogd s LYS 39 Ca 0.65 -0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 55.56 1ogd s LYS 39 Cb -0.45 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.09 1ogd s LYS 39 CO 0.40 -0.07 0.04 0.42 -0.36 0.00 0.00 175.35 175.79 1ogd s ILE 40 N 1.10 3.12 -0.36 5.43 1.01 -0.30 -4.98 121.20 126.22 1ogd s ILE 40 Ca 0.01 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 59.02 1ogd s ILE 40 Cb -0.15 -2.85 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 1ogd s ILE 40 CO -0.02 -0.21 0.46 -0.62 0.00 0.00 0.00 174.94 174.55 1ogd s ASP 41 N 1.35 6.26 0.00 3.58 -1.08 -1.26 -1.09 116.67 124.43 1ogd s ASP 41 Ca -0.02 -0.18 0.18 0.00 -0.52 0.00 0.00 52.55 52.01 1ogd s ASP 41 Cb -0.20 -2.24 0.04 0.00 -1.46 0.00 0.00 42.92 39.05 1ogd s ASP 41 CO -0.01 -0.46 0.98 0.18 0.52 0.00 0.00 175.17 176.38 1ogd n LEU 42 N 5.63 1.98 -4.75 -1.34 4.77 -0.34 -4.95 117.00 118.00 1ogd n LEU 42 Ca -0.06 -0.83 -0.38 0.00 -0.03 0.00 0.00 56.01 54.71 1ogd n LEU 42 Cb 0.49 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1ogd n LEU 42 CO 0.44 0.36 0.96 -0.94 -1.33 0.00 0.00 177.39 176.89 1ogd s SER 43 N -1.95 5.18 0.00 -1.43 1.04 -1.20 -4.33 113.70 111.01 1ogd s SER 43 Ca 0.17 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.32 1ogd s SER 43 Cb 0.15 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1ogd s SER 43 CO 0.40 -1.63 0.00 -0.11 0.98 0.00 0.00 173.24 172.88 1ogd n LEU 44 N -1.17 0.00 -3.80 2.42 0.00 0.80 -4.92 117.00 110.33 1ogd n LEU 44 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 56.04 1ogd n LEU 44 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.84 1ogd n LEU 44 CO 0.51 -0.01 0.34 -1.59 0.00 0.00 0.00 177.39 176.64 1ogd s LYS 45 N -2.00 1.55 0.03 1.96 -2.85 -1.10 -5.05 119.74 112.28 1ogd s LYS 45 Ca 0.00 -0.94 -0.37 0.00 -1.00 0.00 0.00 55.97 53.66 1ogd s LYS 45 Cb 0.00 0.55 -0.16 0.00 -2.06 0.00 0.00 37.83 36.16 1ogd s LYS 45 CO 0.00 -0.68 1.44 -2.30 0.10 0.00 0.00 175.35 173.91 1ogd n PRO 46 N -0.39 1.25 -0.74 1.78 -0.02 -1.26 -0.67 135.00 134.95 1ogd n PRO 46 Ca -0.07 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1ogd n PRO 46 Cb 0.61 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.91 1.13 2.70 -1.23 0.00 0.11 -5.00 105.19 105.82 1ogd n GLY 47 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 0.73 0.53 0.99 2.96 0.15 -3.07 118.68 120.96 1ogd s LEU 48 Ca 0.00 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.26 1ogd s LEU 48 Cb 0.00 -0.42 -0.06 0.00 0.50 0.00 0.00 46.19 46.21 1ogd s LEU 48 CO 0.00 -0.29 0.95 -2.16 -1.32 0.00 0.00 176.35 173.53 1ogd s PRO 49 N 1.99 3.75 0.60 0.98 0.04 -1.26 -0.14 135.00 140.96 1ogd s PRO 49 Ca 0.02 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.67 1ogd s PRO 49 Cb -0.15 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1ogd s PRO 49 CO -0.07 -0.33 1.01 0.00 0.04 0.00 0.00 177.00 177.65 1ogd s ALA 50 N -2.80 3.11 0.15 8.56 0.00 -1.18 -0.82 121.76 128.79 1ogd s ALA 50 Ca 0.55 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1ogd s ALA 50 Cb -0.10 -3.07 0.04 0.00 0.00 0.00 0.00 23.12 19.99 1ogd s ALA 50 CO 0.41 -0.62 1.71 0.35 0.00 0.00 0.00 175.76 177.61 1ogd h PHE 51 N -0.13 -0.01 -0.47 0.00 3.57 -1.94 -2.32 116.94 115.64 1ogd h PHE 51 Ca -0.44 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1ogd h PHE 51 Cb 1.19 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 1ogd h PHE 51 CO 0.65 -0.05 0.23 1.96 -2.23 0.00 0.00 178.31 178.87 1ogd h GLN 52 N 0.10 0.43 -0.71 1.11 4.20 -1.99 -0.87 115.11 117.38 1ogd h GLN 52 Ca 0.15 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1ogd h GLN 52 Cb 0.19 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1ogd h GLN 52 CO -0.24 0.29 0.28 -0.44 -0.67 0.00 0.00 178.83 178.05 1ogd h ASP 53 N 0.45 0.99 -0.12 1.46 3.32 -1.89 -1.79 116.42 118.83 1ogd h ASP 53 Ca 0.21 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1ogd h ASP 53 Cb 0.12 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 1ogd h ASP 53 CO -0.15 0.89 -0.00 0.74 -1.72 0.00 0.00 179.24 179.00 1ogd h THR 54 N 1.02 1.26 -0.91 0.35 2.02 -1.09 -2.68 112.91 112.87 1ogd h THR 54 Ca 0.24 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.61 1ogd h THR 54 Cb 0.21 1.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1ogd h THR 54 CO -0.02 0.24 0.60 0.00 0.37 0.00 0.00 175.52 176.71 1ogd h ALA 55 N 0.74 1.39 -0.56 6.16 0.00 -1.09 -2.31 119.26 123.59 1ogd h ALA 55 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ogd h ALA 55 Cb 0.37 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ogd h ALA 55 CO 0.01 0.54 0.17 0.00 0.00 0.00 0.00 179.25 179.98 1ogd h ALA 56 N 1.45 0.74 -0.24 0.00 0.00 -1.24 -0.72 119.26 119.25 1ogd h ALA 56 Ca 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1ogd h ALA 56 Cb -0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ogd h ALA 56 CO -0.09 0.40 0.03 0.28 0.00 0.00 0.00 179.25 179.87 1ogd h VAL 57 N 0.79 1.24 -0.74 0.00 2.07 -1.16 -2.76 116.25 115.68 1ogd h VAL 57 Ca 0.18 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1ogd h VAL 57 Cb 0.29 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1ogd h VAL 57 CO -0.01 0.25 0.48 -0.07 0.02 0.00 0.00 177.57 178.24 1ogd h LEU 58 N 0.19 0.86 -1.78 2.57 -0.00 -1.31 -1.97 115.31 113.87 1ogd h LEU 58 Ca 0.07 -0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.98 1ogd h LEU 58 Cb 0.35 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 40.77 1ogd h LEU 58 CO 0.01 0.63 0.27 0.00 -0.00 0.00 0.00 178.44 179.35 1ogd h ALA 59 N 1.26 2.04 0.00 1.53 0.00 -1.03 0.28 119.26 123.34 1ogd h ALA 59 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ogd h ALA 59 Cb -0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ogd h ALA 59 CO -0.06 -0.12 -0.38 1.49 0.00 0.00 0.00 179.25 180.18 1ogd h GLU 60 N 0.26 0.00 -0.00 0.00 4.22 -1.08 -3.36 114.58 114.62 1ogd h GLU 60 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.62 1ogd h GLU 60 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ogd h GLU 60 CO -0.04 0.00 -0.45 0.39 -2.18 0.00 0.00 179.01 176.74 1ogd n GLU 61 N -2.90 2.64 -4.62 1.92 -0.58 -0.57 -4.99 120.64 111.55 1ogd n GLU 61 Ca 0.03 -0.26 -0.22 0.00 -0.42 0.00 0.00 57.16 56.28 1ogd n GLU 61 Cb 0.53 -1.10 -0.15 0.00 -0.57 0.00 0.00 31.44 30.15 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 -1.92 1.14 -0.56 3.49 1.75 -0.02 -4.95 119.30 118.24 1ogd s MET 62 Ca 0.07 -0.48 -0.26 0.00 -1.25 0.00 0.00 55.69 53.76 1ogd s MET 62 Cb 0.09 -1.09 0.04 0.00 2.84 0.00 0.00 34.83 36.71 1ogd s MET 62 CO 0.42 0.28 1.04 0.00 -0.65 0.00 0.00 175.02 176.12 1ogd s ALA 63 N -0.26 3.10 -0.21 4.11 0.00 -1.26 -4.70 121.76 122.53 1ogd s ALA 63 Ca 0.04 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.87 1ogd s ALA 63 Cb -0.06 -3.85 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 1ogd s ALA 63 CO -0.00 -2.47 0.15 0.08 0.00 0.00 0.00 175.76 173.51 1ogd s VAL 64 N 4.35 5.39 -0.02 0.00 1.01 -1.26 0.59 120.40 130.45 1ogd s VAL 64 Ca 0.36 0.20 0.16 0.00 0.00 0.00 0.00 61.98 62.70 1ogd s VAL 64 Cb -0.10 -3.49 -0.25 0.00 0.00 0.00 0.00 36.38 32.54 1ogd s VAL 64 CO 0.22 0.40 0.35 -1.84 0.00 0.00 0.00 175.10 174.24 1ogd n GLU 65 N 3.79 0.49 -3.68 2.72 0.28 -0.26 -4.76 120.64 119.22 1ogd n GLU 65 Ca -0.15 -0.15 -0.14 0.00 -0.16 0.00 0.00 57.16 56.55 1ogd n GLU 65 Cb 0.52 -1.38 -0.08 0.00 1.43 0.00 0.00 31.44 31.92 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 -3.12 0.72 -0.03 3.44 2.20 -1.19 -3.51 119.74 118.24 1ogd s LYS 66 Ca -0.06 0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.87 1ogd s LYS 66 Cb 0.10 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.75 1ogd s LYS 66 CO 0.67 -0.17 -0.20 0.08 -0.36 0.00 0.00 175.35 175.37 1ogd s VAL 67 N -0.64 1.63 -0.07 4.02 1.01 -0.00 -0.98 120.40 125.37 1ogd s VAL 67 Ca -0.07 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1ogd s VAL 67 Cb -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1ogd s VAL 67 CO 0.04 0.46 -0.18 -0.63 0.00 0.00 0.00 175.10 174.79 1ogd s ILE 68 N -0.24 1.58 0.11 2.22 1.01 -0.31 -1.01 121.20 124.56 1ogd s ILE 68 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1ogd s ILE 68 Cb -0.10 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 1ogd s ILE 68 CO 0.01 0.45 0.08 0.00 0.00 0.00 0.00 174.94 175.49 1ogd s ALA 69 N 0.32 0.48 0.25 9.38 0.00 -0.67 -0.21 121.76 131.31 1ogd s ALA 69 Ca -0.12 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 1ogd s ALA 69 Cb -0.15 0.64 -0.09 0.00 0.00 0.00 0.00 23.12 23.52 1ogd s ALA 69 CO 0.05 -0.48 0.99 0.00 0.00 0.00 0.00 175.76 176.32 1ogd s ALA 70 N -3.97 3.36 0.34 0.00 0.00 -1.26 -1.74 121.76 118.49 1ogd s ALA 70 Ca 0.15 0.71 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1ogd s ALA 70 Cb 0.07 -3.25 0.65 0.00 0.00 0.00 0.00 23.12 20.58 1ogd s ALA 70 CO -0.04 0.09 1.97 0.00 0.00 0.00 0.00 175.76 177.79 1ogd h ALA 71 N 4.08 1.59 -0.19 0.00 0.00 -0.17 -2.33 119.26 122.24 1ogd h ALA 71 Ca -0.45 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.48 1ogd h ALA 71 Cb 1.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ogd h ALA 71 CO 0.68 0.33 0.36 0.93 0.00 0.00 0.00 179.25 181.55 1ogd h GLU 72 N 0.86 0.00 -0.35 0.00 3.07 -1.92 -2.40 114.58 113.84 1ogd h GLU 72 Ca 0.29 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 1ogd h GLU 72 Cb 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1ogd h GLU 72 CO -0.08 0.00 0.09 0.97 -1.40 0.00 0.00 179.01 178.59 1ogd h ILE 73 N 0.00 1.16 -0.69 3.13 2.10 -1.68 -1.93 117.51 119.60 1ogd h ILE 73 Ca 0.09 -0.57 -0.00 0.00 1.08 0.00 0.00 64.86 65.45 1ogd h ILE 73 Cb 0.81 0.80 -0.03 0.00 -1.09 0.00 0.00 36.82 37.31 1ogd h ILE 73 CO -0.00 0.21 0.42 0.11 -1.08 0.00 0.00 178.15 177.80 1ogd h LYS 74 N 0.51 0.93 0.05 2.19 1.57 -1.65 -0.58 116.57 119.60 1ogd h LYS 74 Ca 0.12 -0.08 -0.35 0.00 -1.87 0.00 0.00 60.65 58.47 1ogd h LYS 74 Cb 0.19 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1ogd h LYS 74 CO -0.00 0.66 -2.09 0.00 -0.57 0.00 0.00 179.45 177.44 1ogd n ALA 75 N -2.43 1.23 0.32 3.86 0.00 -1.12 -4.05 120.51 118.32 1ogd n ALA 75 Ca 0.07 -0.84 0.12 0.00 0.00 0.00 0.00 53.44 52.79 1ogd n ALA 75 Cb 0.07 -0.53 0.06 0.00 0.00 0.00 0.00 19.45 19.05 1ogd n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ogd n SER 76 N -3.24 0.76 -3.08 0.00 7.64 -0.74 -4.54 113.62 110.42 1ogd n SER 76 Ca -0.32 0.18 -0.18 0.00 1.01 0.00 0.00 58.87 59.56 1ogd n SER 76 Cb 1.05 0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 64.64 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 -2.39 -0.32 -0.21 6.43 2.85 -0.23 -4.80 115.26 116.59 1ogd n ASN 77 Ca 0.01 -2.99 0.00 0.00 -0.11 0.00 0.00 54.58 51.50 1ogd n ASN 77 Cb 0.50 -0.01 0.12 0.00 1.24 0.00 0.00 39.78 41.62 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 3.57 0.45 -0.07 1.20 4.20 -1.70 -1.32 115.11 121.44 1ogd h GLN 78 Ca 0.03 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.75 1ogd h GLN 78 Cb 0.95 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 1ogd h GLN 78 CO 0.42 0.30 -0.15 1.49 -0.67 0.00 0.00 178.83 180.22 1ogd h GLU 79 N 0.46 -0.20 -0.17 1.46 4.81 -1.92 -0.55 114.58 118.47 1ogd h GLU 79 Ca 0.32 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.42 1ogd h GLU 79 Cb 0.37 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1ogd h GLU 79 CO -0.29 -0.13 -0.49 -0.91 -0.73 0.00 0.00 179.01 176.45 1ogd h ASN 80 N -0.21 0.49 -0.82 1.04 2.35 -1.89 -2.39 115.58 114.16 1ogd h ASN 80 Ca 0.07 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1ogd h ASN 80 Cb 0.31 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1ogd h ASN 80 CO -0.20 0.91 0.53 0.00 -1.65 0.00 0.00 177.43 177.02 1ogd h ALA 81 N 1.11 1.04 -0.38 -0.83 0.00 -0.91 -0.36 119.26 118.93 1ogd h ALA 81 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ogd h ALA 81 Cb 0.99 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ogd h ALA 81 CO 0.09 0.46 0.07 0.87 0.00 0.00 0.00 179.25 180.74 1ogd h LYS 82 N 1.11 0.62 -0.50 0.00 1.57 -0.97 -2.65 116.57 115.75 1ogd h LYS 82 Ca 0.30 -0.16 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1ogd h LYS 82 Cb -0.11 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.07 1ogd h LYS 82 CO -0.06 0.68 0.18 0.35 -0.57 0.00 0.00 179.45 180.03 1ogd h PHE 83 N 0.47 0.32 -0.96 -1.35 3.57 -0.88 -1.50 116.94 116.62 1ogd h PHE 83 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1ogd h PHE 83 Cb 0.35 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.97 1ogd h PHE 83 CO 0.02 0.11 0.63 1.25 -2.23 0.00 0.00 178.31 178.09 1ogd h LEU 84 N 0.36 1.08 -0.78 0.59 5.85 -0.95 0.16 115.31 121.62 1ogd h LEU 84 Ca 0.24 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 1ogd h LEU 84 Cb 0.25 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1ogd h LEU 84 CO -0.24 0.77 0.03 -0.33 -0.34 0.00 0.00 178.44 178.33 1ogd h GLU 85 N 1.27 0.95 -0.00 1.25 4.39 -1.01 -2.22 114.58 119.21 1ogd h GLU 85 Ca 0.36 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1ogd h GLU 85 Cb -0.09 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 1ogd h GLU 85 CO -0.09 0.92 -0.00 -0.91 -1.16 0.00 0.00 179.01 177.77 1ogd h ASN 86 N 0.89 0.00 -0.78 1.42 -0.26 -0.76 -3.01 115.58 113.09 1ogd h ASN 86 Ca 0.17 -0.66 0.01 0.00 -0.56 0.00 0.00 56.30 55.27 1ogd h ASN 86 Cb 0.48 -0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.70 1ogd h ASN 86 CO 0.02 0.66 0.51 0.25 -1.06 0.00 0.00 177.43 177.81 1ogd h LEU 87 N -0.66 0.87 -4.67 1.61 5.85 -1.00 -3.11 115.31 114.20 1ogd h LEU 87 Ca -0.00 -0.02 -0.67 0.00 0.84 0.00 0.00 57.88 58.03 1ogd h LEU 87 Cb 0.66 -0.21 -0.35 0.00 0.37 0.00 0.00 40.66 41.13 1ogd h LEU 87 CO 0.00 0.62 0.14 0.49 -0.34 0.00 0.00 178.44 179.35 1ogd n PHE 88 N -4.56 3.18 -0.10 1.25 3.01 -0.84 -4.76 117.46 114.64 1ogd n PHE 88 Ca 0.08 -2.72 -0.04 0.00 1.01 0.00 0.00 57.45 55.79 1ogd n PHE 88 Cb 0.04 -0.65 0.18 0.00 -0.01 0.00 0.00 39.48 39.03 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 2.72 0.74 -0.08 4.37 4.64 -1.46 -3.16 113.55 121.32 1ogd h SER 89 Ca 0.44 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.57 1ogd h SER 89 Cb 0.55 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1ogd h SER 89 CO 1.14 0.79 -0.03 -0.33 -0.87 0.00 0.00 176.83 177.53 1ogd h GLU 90 N 0.73 0.17 -7.38 4.77 5.08 -1.89 -3.46 114.58 112.60 1ogd h GLU 90 Ca 0.15 -0.07 -0.47 0.00 -1.00 0.00 0.00 59.36 57.97 1ogd h GLU 90 Cb 0.41 -0.01 0.14 0.00 0.50 0.00 0.00 28.75 29.80 1ogd h GLU 90 CO 0.01 0.51 0.26 -0.65 -1.00 0.00 0.00 179.01 178.15 1ogd s GLN 91 N -4.63 1.16 -0.04 2.33 1.11 -1.19 -5.02 119.66 113.37 1ogd s GLN 91 Ca -0.15 0.62 -0.26 0.00 0.01 0.00 0.00 55.36 55.58 1ogd s GLN 91 Cb 0.04 -1.81 -0.04 0.00 -1.01 0.00 0.00 33.01 30.19 1ogd s GLN 91 CO 0.71 -2.26 0.79 -2.00 0.01 0.00 0.00 175.29 172.54 1ogd s GLU 92 N -5.04 4.48 -0.17 2.91 2.12 -1.23 -4.94 118.70 116.83 1ogd s GLU 92 Ca 0.63 1.06 -0.02 0.00 0.36 0.00 0.00 54.97 57.01 1ogd s GLU 92 Cb -0.17 -3.45 -0.01 0.00 0.26 0.00 0.00 34.13 30.76 1ogd s GLU 92 CO 0.56 0.04 -0.10 0.42 -0.54 0.00 0.00 175.26 175.65 1ogd s ILE 93 N 0.81 3.15 -0.11 -3.70 1.01 -1.26 -0.82 121.20 120.27 1ogd s ILE 93 Ca 0.42 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1ogd s ILE 93 Cb -0.19 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 1ogd s ILE 93 CO 0.21 0.49 -0.21 -0.70 0.00 0.00 0.00 174.94 174.73 1ogd s GLU 94 N 0.85 3.12 -0.19 2.79 2.12 -0.18 -4.99 118.70 122.23 1ogd s GLU 94 Ca -0.03 -0.84 -0.05 0.00 0.36 0.00 0.00 54.97 54.41 1ogd s GLU 94 Cb -0.15 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 1ogd s GLU 94 CO 0.01 0.17 0.01 0.71 -0.54 0.00 0.00 175.26 175.62 1ogd s TYR 95 N 0.38 3.08 0.31 5.30 1.51 -1.26 -1.67 117.35 125.01 1ogd s TYR 95 Ca -0.16 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 1ogd s TYR 95 Cb -0.17 -2.05 -0.06 0.00 -0.11 0.00 0.00 41.96 39.56 1ogd s TYR 95 CO 0.08 -0.10 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.86 1ogd s LEU 96 N 0.70 2.56 0.80 -1.29 1.43 -0.71 -4.75 118.68 117.43 1ogd s LEU 96 Ca 0.00 -1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 51.76 1ogd s LEU 96 Cb -0.14 -0.74 0.08 0.00 0.03 0.00 0.00 46.19 45.42 1ogd s LEU 96 CO 0.02 -0.34 1.15 -0.94 0.23 0.00 0.00 176.35 176.47 1ogd s SER 97 N -3.52 3.89 0.33 2.29 1.04 -1.26 0.56 113.70 117.03 1ogd s SER 97 Ca 0.32 2.12 0.01 0.00 0.48 0.00 0.00 55.95 58.88 1ogd s SER 97 Cb 0.04 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 64.18 1ogd s SER 97 CO 0.14 -2.46 1.96 -0.74 0.98 0.00 0.00 173.24 173.12 1ogd h HIS 98 N -1.07 0.80 -0.51 5.02 2.76 -1.94 -0.87 115.15 119.35 1ogd h HIS 98 Ca -0.45 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 57.70 1ogd h HIS 98 Cb 1.26 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.94 1ogd h HIS 98 CO 0.52 0.56 0.24 0.93 -1.30 0.00 0.00 177.93 178.87 1ogd h GLU 99 N 0.83 0.73 -0.20 5.26 4.39 -2.00 -0.97 114.58 122.62 1ogd h GLU 99 Ca 0.21 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 1ogd h GLU 99 Cb 0.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1ogd h GLU 99 CO -0.04 0.61 -0.34 1.49 -1.16 0.00 0.00 179.01 179.58 1ogd h GLU 100 N 0.67 0.42 -0.14 2.33 4.81 -1.81 -2.78 114.58 118.09 1ogd h GLU 100 Ca 0.17 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ogd h GLU 100 Cb 0.13 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ogd h GLU 100 CO -0.02 0.71 0.08 0.35 -0.73 0.00 0.00 179.01 179.41 1ogd h PHE 101 N 0.36 0.18 -0.91 0.92 3.57 -0.65 -2.61 116.94 117.80 1ogd h PHE 101 Ca 0.04 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1ogd h PHE 101 Cb 0.77 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1ogd h PHE 101 CO 0.02 0.14 0.60 0.87 -2.23 0.00 0.00 178.31 177.72 1ogd h LYS 102 N 0.16 1.11 -0.39 1.11 1.57 -1.01 -1.23 116.57 117.89 1ogd h LYS 102 Ca 0.05 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1ogd h LYS 102 Cb 0.02 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1ogd h LYS 102 CO -0.01 0.73 0.08 -0.07 -0.57 0.00 0.00 179.45 179.62 1ogd h LEU 103 N 1.14 0.53 -1.34 2.94 3.38 -1.22 -2.20 115.31 118.54 1ogd h LEU 103 Ca 0.36 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 1ogd h LEU 103 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1ogd h LEU 103 CO -0.11 0.54 -0.28 -0.07 0.09 0.00 0.00 178.44 178.62 1ogd h LEU 104 N 0.57 0.07 -0.56 1.67 3.38 -0.87 -2.73 115.31 116.84 1ogd h LEU 104 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ogd h LEU 104 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ogd h LEU 104 CO -0.00 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.24 1ogd n THR 105 N -4.18 1.25 0.18 0.22 -2.24 -0.82 -2.21 114.28 106.47 1ogd n THR 105 Ca -0.02 0.45 0.05 0.00 -2.27 0.00 0.00 64.05 62.26 1ogd n THR 105 Cb 0.35 -1.38 0.48 0.00 -2.10 0.00 0.00 70.33 67.68 1ogd n THR 105 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ogd h LYS 106 N 0.00 0.12 -0.02 -0.78 1.79 -1.60 -2.56 116.57 113.53 1ogd h LYS 106 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1ogd h LYS 106 Cb 0.14 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1ogd h LYS 106 CO 0.00 0.23 -0.00 -0.25 -1.08 0.00 0.00 179.45 178.35 1ogd n ASP 107 N -4.35 1.81 -4.78 0.86 8.00 -0.94 -4.92 116.55 112.23 1ogd n ASP 107 Ca -0.02 -1.60 -0.36 0.00 0.71 0.00 0.00 54.79 53.53 1ogd n ASP 107 Cb 0.21 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 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 2.84 -0.38 2.24 0.00 -0.97 -4.66 121.76 118.83 1ogd s ALA 108 Ca 0.36 0.83 0.22 0.00 0.00 0.00 0.00 51.96 53.37 1ogd s ALA 108 Cb 0.21 -3.35 0.33 0.00 0.00 0.00 0.00 23.12 20.31 1ogd s ALA 108 CO 0.33 -0.64 1.60 0.87 0.00 0.00 0.00 175.76 177.91 1ogd h LYS 109 N 1.61 0.00 -1.51 0.00 1.79 -1.04 -3.45 116.57 113.97 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 -0.22 0.00 -1.58 0.00 0.00 32.23 31.68 1ogd h LYS 109 CO 0.59 0.08 0.71 0.00 -1.08 0.00 0.00 179.45 179.75 1ogd s ALA 110 N -3.19 -2.00 -0.17 3.86 0.00 -1.26 -4.17 121.76 114.84 1ogd s ALA 110 Ca 0.06 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1ogd s ALA 110 Cb 0.06 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.61 1ogd s ALA 110 CO 0.68 -0.43 -0.17 0.08 0.00 0.00 0.00 175.76 175.93 1ogd s VAL 111 N -1.73 2.45 -0.37 0.00 1.01 0.32 -0.64 120.40 121.43 1ogd s VAL 111 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1ogd s VAL 111 Cb -0.01 -2.04 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1ogd s VAL 111 CO -0.04 0.52 0.29 -0.63 0.00 0.00 0.00 175.10 175.24 1ogd s ILE 112 N 1.04 5.25 -0.14 2.22 1.01 0.22 -1.15 121.20 129.65 1ogd s ILE 112 Ca -0.01 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.08 1ogd s ILE 112 Cb -0.15 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1ogd s ILE 112 CO -0.05 -0.16 0.64 -0.60 0.00 0.00 0.00 174.94 174.78 1ogd s ARG 113 N 1.78 4.31 0.56 2.79 3.52 -0.25 -0.00 118.95 131.66 1ogd s ARG 113 Ca 0.07 0.70 0.07 0.00 -0.13 0.00 0.00 55.73 56.45 1ogd s ARG 113 Cb -0.18 -3.51 0.06 0.00 -1.56 0.00 0.00 34.95 29.76 1ogd s ARG 113 CO 0.11 -0.08 0.57 0.95 -0.81 0.00 0.00 175.30 176.04 1ogd s THR 114 N 1.36 1.86 -2.09 4.11 -4.23 -0.32 -1.20 115.64 115.12 1ogd s THR 114 Ca 0.32 -1.28 0.16 0.00 -1.18 0.00 0.00 61.69 59.71 1ogd s THR 114 Cb -0.16 -2.14 0.41 0.00 1.34 0.00 0.00 72.50 71.95 1ogd s THR 114 CO 0.13 0.00 1.38 0.61 -0.54 0.00 0.00 174.62 176.20 1ogd n GLY 115 N -1.97 0.98 3.68 3.99 0.00 0.00 -3.59 105.19 108.28 1ogd n GLY 115 Ca 0.06 -0.49 -0.46 0.00 0.00 0.00 0.00 46.02 45.12 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 0.76 2.25 -1.71 1.61 4.07 -1.23 0.08 120.64 126.48 1ogd n GLU 116 Ca 0.16 0.82 -0.24 0.00 -0.06 0.00 0.00 57.16 57.83 1ogd n GLU 116 Cb 0.38 -2.63 0.05 0.00 -0.06 0.00 0.00 31.44 29.19 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 4.88 2.67 -4.75 4.31 3.01 -1.26 -1.25 117.46 125.07 1ogd n PHE 117 Ca 0.19 -2.36 -0.24 0.00 1.01 0.00 0.00 57.45 56.05 1ogd n PHE 117 Cb 0.30 -0.63 -0.15 0.00 -0.01 0.00 0.00 39.48 38.99 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 -4.51 1.35 0.42 4.37 -4.23 -1.26 -5.07 115.64 106.70 1ogd s THR 118 Ca 0.54 -0.80 -0.25 0.00 -1.18 0.00 0.00 61.69 60.01 1ogd s THR 118 Cb 0.43 -1.13 -0.10 0.00 1.34 0.00 0.00 72.50 73.04 1ogd s THR 118 CO 0.02 0.32 1.09 -0.81 -0.54 0.00 0.00 174.62 174.71 1ogd n PRO 119 N 2.51 1.51 -2.66 3.99 -0.04 -1.26 -3.36 135.00 135.69 1ogd n PRO 119 Ca -0.15 0.54 -0.14 0.00 -0.04 0.00 0.00 63.50 63.71 1ogd n PRO 119 Cb 0.54 -2.14 -0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1ogd n PRO 119 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ogd n TYR 120 N -0.42 -1.55 -2.09 0.54 4.02 -1.26 -4.58 117.16 111.82 1ogd n TYR 120 Ca 0.09 0.12 -0.41 0.00 -0.01 0.00 0.00 57.90 57.68 1ogd n TYR 120 Cb 0.39 -2.72 -0.00 0.00 -0.02 0.00 0.00 39.34 37.00 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 -2.56 6.26 -2.39 -0.72 0.00 -1.21 -4.64 120.51 115.24 1ogd n ALA 121 Ca -0.11 -4.15 -0.12 0.00 0.00 0.00 0.00 53.44 49.06 1ogd n ALA 121 Cb 0.59 -2.90 -0.10 0.00 0.00 0.00 0.00 19.45 17.04 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 0.69 1.25 -0.06 0.00 -0.87 -1.26 -2.85 114.94 111.84 1ogd s ASN 122 Ca 0.49 -0.87 -0.30 0.00 -1.57 0.00 0.00 52.86 50.61 1ogd s ASN 122 Cb 0.15 0.05 0.09 0.00 -0.02 0.00 0.00 41.25 41.52 1ogd s ASN 122 CO -0.05 -0.35 0.78 0.00 -2.57 0.00 0.00 177.10 174.91 1ogd s ILE 124 N -1.49 4.03 -0.27 0.00 1.01 0.71 -1.50 121.20 123.68 1ogd s ILE 124 Ca -0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 1ogd s ILE 124 Cb -0.00 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1ogd s ILE 124 CO 0.05 0.46 0.13 -0.76 0.00 0.00 0.00 174.94 174.81 1ogd s LEU 125 N 0.67 3.77 -0.28 2.97 1.43 -0.33 -1.16 118.68 125.76 1ogd s LEU 125 Ca -0.01 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1ogd s LEU 125 Cb -0.14 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1ogd s LEU 125 CO 0.02 -0.07 0.29 -1.58 0.23 0.00 0.00 176.35 175.24 1ogd s GLN 126 N 1.67 3.96 0.33 1.70 0.74 -0.15 -2.20 119.66 125.71 1ogd s GLN 126 Ca 0.06 -0.14 -0.29 0.00 0.05 0.00 0.00 55.36 55.04 1ogd s GLN 126 Cb -0.16 -3.66 -0.12 0.00 1.10 0.00 0.00 33.01 30.17 1ogd s GLN 126 CO 0.07 -0.24 1.48 0.00 -0.55 0.00 0.00 175.29 176.04 1ogd n ALA 127 N 5.21 2.11 -2.03 1.58 0.00 0.72 -1.10 120.51 126.99 1ogd n ALA 127 Ca -0.11 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1ogd n ALA 127 Cb 0.51 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 1.25 2.08 3.06 0.00 0.00 0.20 -0.77 105.19 111.00 1ogd n GLY 128 Ca 0.05 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.95 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 2.32 0.56 -2.17 1.61 0.11 -1.26 -4.18 120.40 117.39 1ogd s VAL 129 Ca 0.00 -1.00 0.19 0.00 -2.93 0.00 0.00 61.98 58.24 1ogd s VAL 129 Cb 0.00 -0.61 0.46 0.00 -1.53 0.00 0.00 36.38 34.70 1ogd s VAL 129 CO 0.00 -0.32 1.56 0.18 -3.33 0.00 0.00 175.10 173.20 1ogd n LEU 130 N 1.62 1.12 0.00 2.54 4.77 -1.26 -5.08 117.00 120.70 1ogd n LEU 130 Ca -0.22 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1ogd n LEU 130 Cb 0.55 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1ogd n LEU 130 CO 0.21 0.24 0.00 2.22 -1.33 0.00 0.00 177.39 178.73