#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eli h SER 2 N 0.00 -0.08 -5.20 1.61 0.02 -2.15 -3.49 113.55 104.26 2eli h SER 2 Ca 0.00 -0.33 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 2eli h SER 2 Cb 0.00 0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.45 2eli h SER 2 CO 0.00 0.56 -0.17 -0.44 -1.14 0.00 0.00 176.83 175.64 2eli s SER 3 N -5.65 -0.08 0.00 3.07 0.01 -1.26 -5.18 113.70 104.61 2eli s SER 3 Ca -0.08 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.43 2eli s SER 3 Cb -0.01 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2eli s SER 3 CO 0.29 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2eli n GLY 4 N -0.29 3.32 3.26 3.44 0.00 -1.26 -5.17 105.19 108.49 2eli n GLY 4 Ca -0.07 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 2eli n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2eli s SER 5 N -0.11 0.91 0.03 1.61 0.15 -1.26 -5.17 113.70 109.85 2eli s SER 5 Ca 0.00 -1.31 0.02 0.00 0.70 0.00 0.00 55.95 55.36 2eli s SER 5 Cb 0.00 0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.49 2eli s SER 5 CO 0.00 -0.70 -0.07 -0.94 1.20 0.00 0.00 173.24 172.73 2eli s SER 6 N -3.22 0.74 0.00 5.45 1.04 -1.26 -5.16 113.70 111.30 2eli s SER 6 Ca 0.33 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2eli s SER 6 Cb 0.07 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2eli s SER 6 CO 0.09 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2eli n GLY 7 N 1.76 5.01 3.38 7.32 0.00 -1.26 -5.18 105.19 116.22 2eli n GLY 7 Ca -0.21 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.27 2eli n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2eli s GLY 8 N -0.05 -0.36 0.03 -0.02 0.00 -1.26 -5.06 107.32 100.60 2eli s GLY 8 Ca 0.00 1.23 -0.21 0.00 0.00 0.00 0.00 44.72 45.74 2eli s GLY 8 CO 0.00 1.03 1.33 -0.56 0.00 0.00 0.00 173.10 174.90 2eli h PRO 9 N 4.95 0.32 -2.47 2.90 0.13 -2.05 -3.48 132.00 132.29 2eli h PRO 9 Ca -0.28 -0.17 0.16 0.00 -0.87 0.00 0.00 66.00 64.84 2eli h PRO 9 Cb 1.17 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2eli h PRO 9 CO 0.24 0.71 0.53 0.16 -0.23 0.00 0.00 178.00 179.41 2eli s ASP 10 N -6.08 -0.06 -0.47 1.44 -4.77 -1.26 -5.12 116.67 100.34 2eli s ASP 10 Ca -0.14 -0.60 -0.13 0.00 -3.30 0.00 0.00 52.55 48.38 2eli s ASP 10 Cb 0.05 0.51 0.09 0.00 -1.09 0.00 0.00 42.92 42.48 2eli s ASP 10 CO 0.74 -1.00 0.37 0.42 0.70 0.00 0.00 175.17 176.41 2eli s THR 11 N -2.61 4.85 0.28 2.11 -4.23 -1.26 -5.04 115.64 109.74 2eli s THR 11 Ca 0.18 -1.29 -0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2eli s THR 11 Cb -0.02 -3.98 -0.01 0.00 1.34 0.00 0.00 72.50 69.83 2eli s THR 11 CO 0.04 -0.62 0.38 -0.62 -0.54 0.00 0.00 174.62 173.26 2eli s ASP 12 N 2.63 0.44 -0.77 3.99 2.15 -1.26 -5.09 116.67 118.77 2eli s ASP 12 Ca 0.04 -1.29 0.03 0.00 0.43 0.00 0.00 52.55 51.75 2eli s ASP 12 Cb -0.25 0.56 0.31 0.00 -0.30 0.00 0.00 42.92 43.24 2eli s ASP 12 CO 0.04 -1.12 1.16 0.47 -0.17 0.00 0.00 175.17 175.55 2eli n ASP 13 N -0.80 5.19 0.00 -0.34 9.92 -1.26 -4.82 116.55 124.44 2eli n ASP 13 Ca 0.01 -3.58 0.07 0.00 -0.53 0.00 0.00 54.79 50.76 2eli n ASP 13 Cb 0.63 -0.83 0.34 0.00 -0.64 0.00 0.00 41.12 40.63 2eli n ASP 13 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2eli n PRO 14 N 0.33 0.12 0.07 -0.24 -0.04 -1.26 -2.59 135.00 131.39 2eli n PRO 14 Ca 0.33 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.81 2eli n PRO 14 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 2eli n PRO 14 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2eli h ARG 15 N 0.00 0.27 -0.91 0.54 -0.00 -1.96 -3.29 114.38 109.04 2eli h ARG 15 Ca 0.00 -0.47 -0.07 0.00 -0.00 0.00 0.00 59.98 59.44 2eli h ARG 15 Cb 0.18 0.17 -0.04 0.00 -0.00 0.00 0.00 29.97 30.28 2eli h ARG 15 CO 0.00 1.15 0.09 0.43 -0.00 0.00 0.00 179.97 181.65 2eli n SER 16 N -3.48 2.93 -4.77 0.08 7.64 -1.07 -4.92 113.62 110.03 2eli n SER 16 Ca -0.16 -2.43 -0.31 0.00 1.01 0.00 0.00 58.87 56.98 2eli n SER 16 Cb 1.05 -0.59 0.09 0.00 -1.01 0.00 0.00 64.21 63.75 2eli n SER 16 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2eli s LYS 17 N -1.45 2.30 -0.00 1.43 -0.14 -1.19 -0.12 119.74 120.57 2eli s LYS 17 Ca 0.20 1.15 -0.10 0.00 -1.36 0.00 0.00 55.97 55.86 2eli s LYS 17 Cb 0.16 -1.90 -0.05 0.00 -1.68 0.00 0.00 37.83 34.35 2eli s LYS 17 CO 0.05 -1.61 0.32 -1.01 -0.76 0.00 0.00 175.35 172.34 2eli s HIS 18 N -2.91 3.63 -0.53 3.18 3.76 -1.24 -4.68 115.29 116.49 2eli s HIS 18 Ca 0.61 0.75 0.02 0.00 -0.15 0.00 0.00 55.06 56.28 2eli s HIS 18 Cb -0.17 -2.12 0.45 0.00 1.11 0.00 0.00 32.58 31.85 2eli s HIS 18 CO 0.56 0.62 1.69 1.63 -0.85 0.00 0.00 174.74 178.40 2eli n LYS 19 N 1.45 3.06 -1.70 1.40 5.02 -1.26 -5.04 118.16 121.09 2eli n LYS 19 Ca -0.13 -3.67 -0.43 0.00 -2.02 0.00 0.00 58.31 52.06 2eli n LYS 19 Cb 0.53 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.25 2eli n LYS 19 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2eli n PHE 20 N -0.81 2.34 -3.79 2.13 3.72 -1.26 -3.80 117.46 116.00 2eli n PHE 20 Ca 0.55 0.52 -0.13 0.00 -0.05 0.00 0.00 57.45 58.33 2eli n PHE 20 Cb 0.75 -2.44 -0.14 0.00 -0.94 0.00 0.00 39.48 36.71 2eli n PHE 20 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2eli s LYS 21 N -1.67 0.07 -0.18 -1.08 2.20 -0.90 -4.90 119.74 113.27 2eli s LYS 21 Ca 0.57 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 56.13 2eli s LYS 21 Cb -0.57 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 35.60 2eli s LYS 21 CO 0.60 -0.11 1.87 -1.50 -0.36 0.00 0.00 175.35 175.86 2eli s ILE 22 N 0.73 3.35 0.09 5.43 1.10 -1.26 -2.35 121.20 128.28 2eli s ILE 22 Ca -0.06 0.38 -0.04 0.00 -0.51 0.00 0.00 60.65 60.43 2eli s ILE 22 Cb -0.08 -3.37 -0.03 0.00 0.15 0.00 0.00 42.46 39.14 2eli s ILE 22 CO -0.03 -0.17 0.09 -1.00 -2.11 0.00 0.00 174.94 171.72 2eli s HIS 23 N 6.11 0.46 0.01 3.50 3.76 -1.20 -4.99 115.29 122.94 2eli s HIS 23 Ca 0.84 -0.93 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 2eli s HIS 23 Cb -0.30 -0.27 -0.06 0.00 1.11 0.00 0.00 32.58 33.05 2eli s HIS 23 CO 0.34 -0.49 0.49 0.99 -0.85 0.00 0.00 174.74 175.21 2eli s THR 24 N -3.93 4.93 0.11 1.30 2.01 -1.26 -3.99 115.64 114.81 2eli s THR 24 Ca 0.11 1.02 0.05 0.00 0.31 0.00 0.00 61.69 63.18 2eli s THR 24 Cb 0.06 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2eli s THR 24 CO -0.07 0.53 0.05 -0.31 -0.69 0.00 0.00 174.62 174.13 2eli s TYR 25 N -0.81 3.06 -0.35 4.92 1.51 -1.26 -4.99 117.35 119.43 2eli s TYR 25 Ca 0.26 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.37 2eli s TYR 25 Cb -0.18 -1.53 0.46 0.00 -0.11 0.00 0.00 41.96 40.60 2eli s TYR 25 CO 0.15 0.50 1.40 0.41 -1.11 0.00 0.00 175.55 176.91 2eli n GLY 26 N 0.27 5.93 3.59 0.71 0.00 -1.26 -5.00 105.19 109.42 2eli n GLY 26 Ca -0.10 -2.22 -0.07 0.00 0.00 0.00 0.00 46.02 43.63 2eli n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eli s SER 27 N -3.05 -0.25 -0.29 1.61 1.04 -1.26 -5.13 113.70 106.38 2eli s SER 27 Ca 0.51 0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.85 2eli s SER 27 Cb 0.42 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 2eli s SER 27 CO 0.01 -0.28 1.65 -2.16 0.98 0.00 0.00 173.24 173.45 2eli s PRO 28 N -1.56 3.60 0.13 4.02 0.04 -1.26 -5.00 135.00 134.97 2eli s PRO 28 Ca 0.04 1.48 0.10 0.00 0.04 0.00 0.00 61.00 62.66 2eli s PRO 28 Cb -0.01 -4.09 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 2eli s PRO 28 CO -0.03 -1.54 -0.25 -0.08 0.04 0.00 0.00 177.00 175.14 2eli s THR 29 N 5.84 2.15 -0.21 1.26 -1.32 -1.26 -5.02 115.64 117.09 2eli s THR 29 Ca 0.73 -1.75 -0.04 0.00 -1.21 0.00 0.00 61.69 59.42 2eli s THR 29 Cb -0.22 -1.92 -0.02 0.00 -1.51 0.00 0.00 72.50 68.83 2eli s THR 29 CO 0.31 0.02 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.36 2eli s PHE 30 N -1.18 2.98 0.80 9.09 0.08 -1.26 -0.39 117.98 128.10 2eli s PHE 30 Ca 0.13 -0.71 -0.17 0.00 0.12 0.00 0.00 56.93 56.30 2eli s PHE 30 Cb -0.10 -2.08 -0.13 0.00 -0.57 0.00 0.00 43.02 40.14 2eli s PHE 30 CO 0.06 -0.40 -0.41 0.00 -0.10 0.00 0.00 175.22 174.37 2eli n ASP 32 N 2.68 0.36 0.05 0.00 2.03 -0.91 -3.28 116.55 117.48 2eli n ASP 32 Ca 0.03 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.31 2eli n ASP 32 Cb 0.52 1.16 -0.01 0.00 -0.72 0.00 0.00 41.12 42.07 2eli n ASP 32 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2eli h HIS 33 N 0.00 -0.18 0.11 -0.67 2.76 -1.92 -3.40 115.15 111.85 2eli h HIS 33 Ca -0.40 -0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.46 2eli h HIS 33 Cb 1.90 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.91 2eli h HIS 33 CO 0.00 -0.11 -1.59 0.00 -1.30 0.00 0.00 177.93 174.94 2eli n GLY 35 N 1.78 0.71 2.97 0.00 0.00 -1.21 -5.03 105.19 104.41 2eli n GLY 35 Ca -0.28 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 2eli n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2eli s SER 36 N -2.25 -0.13 -0.12 1.61 0.01 -1.26 -4.82 113.70 106.75 2eli s SER 36 Ca 0.00 0.30 -0.39 0.00 1.31 0.00 0.00 55.95 57.16 2eli s SER 36 Cb 0.00 0.23 -0.17 0.00 0.21 0.00 0.00 66.02 66.29 2eli s SER 36 CO 0.00 -0.11 1.50 -0.11 0.41 0.00 0.00 173.24 174.93 2eli n LEU 37 N 3.69 1.74 -4.57 2.44 -0.00 -1.26 -2.25 117.00 116.80 2eli n LEU 37 Ca -0.20 1.11 -0.43 0.00 -0.00 0.00 0.00 56.01 56.49 2eli n LEU 37 Cb 0.55 -1.12 -0.05 0.00 -0.00 0.00 0.00 43.42 42.81 2eli n LEU 37 CO 0.19 -0.87 0.67 -0.76 -0.00 0.00 0.00 177.39 176.62 2eli s LEU 38 N 1.86 4.09 0.57 -1.96 1.43 0.48 -4.91 118.68 120.25 2eli s LEU 38 Ca 0.92 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 54.19 2eli s LEU 38 Cb -1.08 -3.11 0.06 0.00 0.03 0.00 0.00 46.19 42.09 2eli s LEU 38 CO 0.58 -0.94 0.79 -0.31 0.23 0.00 0.00 176.35 176.70 2eli s TYR 39 N 3.49 2.38 0.00 0.29 2.02 -1.26 -4.56 117.35 119.71 2eli s TYR 39 Ca 0.34 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 2eli s TYR 39 Cb -0.11 -2.67 0.00 0.00 -0.40 0.00 0.00 41.96 38.77 2eli s TYR 39 CO 0.23 -1.02 0.00 0.41 -1.57 0.00 0.00 175.55 173.60 2eli n GLY 40 N -2.35 3.23 0.10 0.71 0.00 -1.26 -4.64 105.19 100.97 2eli n GLY 40 Ca 0.11 -1.71 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 2eli n GLY 40 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2eli h LEU 41 N 0.00 0.00 -8.36 0.99 7.12 -1.97 -3.44 115.31 109.66 2eli h LEU 41 Ca 0.00 -0.60 -0.58 0.00 0.13 0.00 0.00 57.88 56.83 2eli h LEU 41 Cb 0.00 -0.00 -0.30 0.00 -0.53 0.00 0.00 40.66 39.83 2eli h LEU 41 CO 0.00 1.41 -0.85 -0.51 -0.13 0.00 0.00 178.44 178.37 2eli s ILE 42 N -2.34 1.53 -1.31 4.05 2.07 -1.26 -4.68 121.20 119.25 2eli s ILE 42 Ca -0.27 -0.81 -0.04 0.00 -1.41 0.00 0.00 60.65 58.11 2eli s ILE 42 Cb 0.04 -1.28 0.01 0.00 0.13 0.00 0.00 42.46 41.37 2eli s ILE 42 CO 0.61 0.43 0.98 1.41 -1.91 0.00 0.00 174.94 176.47 2eli n HIS 43 N 2.71 -2.33 0.43 3.50 8.25 -1.26 -4.93 115.22 121.59 2eli n HIS 43 Ca -0.16 0.94 -0.17 0.00 -0.26 0.00 0.00 57.72 58.07 2eli n HIS 43 Cb 0.53 -4.80 -0.08 0.00 1.12 0.00 0.00 29.99 26.77 2eli n HIS 43 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2eli h GLN 44 N -2.13 -1.07 0.00 -0.41 7.50 -1.83 -3.48 115.11 113.69 2eli h GLN 44 Ca -0.59 0.07 0.00 0.00 0.50 0.00 0.00 58.65 58.63 2eli h GLN 44 Cb 1.36 0.24 0.00 0.00 0.05 0.00 0.00 27.48 29.13 2eli h GLN 44 CO 0.55 -0.71 0.00 0.41 -1.50 0.00 0.00 178.83 177.58 2eli n GLY 45 N -1.35 5.16 3.35 3.46 0.00 -1.26 -4.63 105.19 109.91 2eli n GLY 45 Ca -0.14 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 2eli n GLY 45 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2eli s MET 46 N 0.60 1.92 -0.05 1.61 -1.94 0.22 -3.23 119.30 118.42 2eli s MET 46 Ca 0.00 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 52.97 2eli s MET 46 Cb 0.00 -2.03 0.00 0.00 2.01 0.00 0.00 34.83 34.82 2eli s MET 46 CO 0.00 0.53 -0.15 0.21 -0.01 0.00 0.00 175.02 175.60 2eli s LYS 47 N -1.11 1.74 0.83 2.03 2.20 -0.99 -2.04 119.74 122.40 2eli s LYS 47 Ca 0.12 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.11 2eli s LYS 47 Cb -0.10 -1.47 0.09 0.00 -1.51 0.00 0.00 37.83 34.84 2eli s LYS 47 CO 0.02 0.13 1.09 0.00 -0.36 0.00 0.00 175.35 176.23 2eli n ASP 49 N -3.59 0.85 -0.04 0.00 2.03 -1.25 -2.98 116.55 111.57 2eli n ASP 49 Ca 0.07 -0.69 -0.04 0.00 0.52 0.00 0.00 54.79 54.65 2eli n ASP 49 Cb 0.56 1.13 -0.06 0.00 -0.72 0.00 0.00 41.12 42.03 2eli n ASP 49 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2eli n THR 50 N -1.48 0.53 -0.02 5.18 5.66 -1.26 -4.69 114.28 118.20 2eli n THR 50 Ca 0.02 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2eli n THR 50 Cb 0.26 -0.80 0.00 0.00 -1.55 0.00 0.00 70.33 68.24 2eli n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2eli n ASP 52 N -0.24 -0.52 -4.56 0.00 5.75 -1.16 -4.86 116.55 110.96 2eli n ASP 52 Ca 0.00 -0.94 -0.40 0.00 -0.01 0.00 0.00 54.79 53.44 2eli n ASP 52 Cb 0.00 -1.15 -0.10 0.00 -1.03 0.00 0.00 41.12 38.85 2eli n ASP 52 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2eli s MET 53 N -6.39 3.69 0.16 0.11 1.75 -1.26 -4.69 119.30 112.67 2eli s MET 53 Ca 0.12 -0.34 -0.30 0.00 -1.25 0.00 0.00 55.69 53.92 2eli s MET 53 Cb -0.07 -3.76 -0.07 0.00 2.84 0.00 0.00 34.83 33.77 2eli s MET 53 CO 0.72 -0.43 1.16 -0.80 -0.65 0.00 0.00 175.02 175.02 2eli s ASN 54 N 1.72 7.16 0.19 1.11 -0.87 -1.26 -3.65 114.94 119.33 2eli s ASN 54 Ca 0.11 2.13 -0.22 0.00 -1.57 0.00 0.00 52.86 53.31 2eli s ASN 54 Cb -0.16 -2.60 0.06 0.00 -0.02 0.00 0.00 41.25 38.52 2eli s ASN 54 CO 0.11 -0.33 0.63 0.68 -2.57 0.00 0.00 177.10 175.62 2eli s VAL 55 N 0.10 0.00 0.57 1.60 -7.23 -0.87 -2.13 120.40 112.44 2eli s VAL 55 Ca 0.53 -0.26 -0.17 0.00 -1.81 0.00 0.00 61.98 60.27 2eli s VAL 55 Cb -0.31 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 2eli s VAL 55 CO 0.34 -0.00 1.05 -1.00 -0.31 0.00 0.00 175.10 175.19 2eli s HIS 56 N -3.79 2.99 0.53 2.82 3.76 -1.26 -0.61 115.29 119.73 2eli s HIS 56 Ca 0.04 1.53 0.20 0.00 -0.15 0.00 0.00 55.06 56.67 2eli s HIS 56 Cb -0.02 -3.03 1.38 0.00 1.11 0.00 0.00 32.58 32.02 2eli s HIS 56 CO -0.08 -1.05 2.13 0.87 -0.85 0.00 0.00 174.74 175.77 2eli h LYS 57 N 0.73 0.00 -0.00 1.40 1.79 -1.91 0.11 116.57 118.69 2eli h LYS 57 Ca -0.48 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 2eli h LYS 57 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 2eli h LYS 57 CO 0.58 0.00 -0.49 0.00 -1.08 0.00 0.00 179.45 178.46 2eli n GLN 58 N -4.38 0.35 0.05 3.15 10.64 -1.26 -4.05 117.38 121.87 2eli n GLN 58 Ca -0.00 -0.22 -0.20 0.00 -1.83 0.00 0.00 57.00 54.75 2eli n GLN 58 Cb 0.20 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 27.94 2eli n GLN 58 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2eli h VAL 60 N 0.08 0.25 0.00 0.00 -1.51 -1.52 0.69 116.25 114.24 2eli h VAL 60 Ca -0.33 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.00 2eli h VAL 60 Cb 2.05 0.54 -0.02 0.00 -2.13 0.00 0.00 31.29 31.73 2eli h VAL 60 CO 0.14 0.00 -0.66 -0.29 -1.23 0.00 0.00 177.57 175.53 2eli h ILE 61 N 0.00 1.41 0.19 7.19 2.10 -1.79 -3.23 117.51 123.38 2eli h ILE 61 Ca 0.21 -2.32 -0.32 0.00 1.08 0.00 0.00 64.86 63.50 2eli h ILE 61 Cb 1.32 2.27 0.02 0.00 -1.09 0.00 0.00 36.82 39.34 2eli h ILE 61 CO -0.00 0.65 -1.49 0.78 -1.08 0.00 0.00 178.15 177.00 2eli h ASN 62 N 0.00 0.63 -2.22 2.19 2.35 0.18 -3.46 115.58 115.25 2eli h ASN 62 Ca -0.01 -0.75 -0.62 0.00 -0.55 0.00 0.00 56.30 54.37 2eli h ASN 62 Cb 1.22 -0.21 0.10 0.00 0.05 0.00 0.00 38.32 39.48 2eli h ASN 62 CO 0.09 1.60 0.20 0.52 -1.65 0.00 0.00 177.43 178.19 2eli n VAL 63 N -3.60 1.48 -2.26 2.81 0.31 -0.78 -4.90 118.33 111.38 2eli n VAL 63 Ca -0.16 -0.37 -0.40 0.00 -0.01 0.00 0.00 64.34 63.40 2eli n VAL 63 Cb 1.07 -0.93 -0.03 0.00 -0.91 0.00 0.00 33.84 33.04 2eli n VAL 63 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2eli s PRO 64 N -0.98 4.37 0.49 5.55 0.04 -1.26 -4.88 135.00 138.33 2eli s PRO 64 Ca 0.65 2.02 0.40 0.00 0.04 0.00 0.00 61.00 64.11 2eli s PRO 64 Cb -0.77 -3.02 1.60 0.00 0.04 0.00 0.00 34.50 32.36 2eli s PRO 64 CO 0.56 -0.11 1.58 0.66 0.04 0.00 0.00 177.00 179.73 2eli h SER 65 N 3.33 0.12 -4.19 6.66 4.64 -1.90 -3.40 113.55 118.81 2eli h SER 65 Ca -0.48 0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 2eli h SER 65 Cb 1.22 0.10 0.19 0.00 -0.31 0.00 0.00 62.40 63.61 2eli h SER 65 CO 0.65 -0.16 0.22 0.18 -0.87 0.00 0.00 176.83 176.85 2eli n LEU 66 N -4.42 3.55 -3.63 5.97 4.77 -1.23 -3.16 117.00 118.85 2eli n LEU 66 Ca 0.42 0.48 -0.10 0.00 -0.03 0.00 0.00 56.01 56.77 2eli n LEU 66 Cb 1.75 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2eli n LEU 66 CO 0.29 -2.07 0.26 0.00 -1.33 0.00 0.00 177.39 174.54 2eli n GLY 68 N -0.31 -0.39 1.70 0.00 0.00 -1.26 -4.90 105.19 100.02 2eli n GLY 68 Ca -0.14 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2eli n GLY 68 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2eli n MET 69 N -3.51 1.85 -0.12 1.61 1.56 -1.26 -4.20 117.12 113.05 2eli n MET 69 Ca -0.20 -1.78 -0.23 0.00 -0.27 0.00 0.00 57.70 55.22 2eli n MET 69 Cb 0.64 -1.71 -0.08 0.00 2.15 0.00 0.00 33.22 34.21 2eli n MET 69 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2eli n ASP 70 N -0.41 1.94 -4.56 6.12 2.03 -1.26 -4.80 116.55 115.61 2eli n ASP 70 Ca 0.34 0.36 -0.35 0.00 0.52 0.00 0.00 54.79 55.66 2eli n ASP 70 Cb 1.17 -0.82 -0.04 0.00 -0.72 0.00 0.00 41.12 40.72 2eli n ASP 70 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2eli s HIS 71 N -2.59 2.03 -0.00 -0.67 3.76 -1.26 -4.93 115.29 111.63 2eli s HIS 71 Ca -0.34 0.18 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 2eli s HIS 71 Cb 0.11 -4.31 -0.00 0.00 1.11 0.00 0.00 32.58 29.49 2eli s HIS 71 CO 0.47 -1.96 -0.03 0.95 -0.85 0.00 0.00 174.74 173.31 2eli s THR 72 N 7.91 0.27 -0.11 1.30 -4.23 -1.26 -5.15 115.64 114.38 2eli s THR 72 Ca 0.58 -0.15 -0.31 0.00 -1.18 0.00 0.00 61.69 60.63 2eli s THR 72 Cb -0.06 -0.24 0.12 0.00 1.34 0.00 0.00 72.50 73.66 2eli s THR 72 CO 0.04 0.08 1.04 -0.70 -0.54 0.00 0.00 174.62 174.54 2eli s GLU 73 N -0.07 0.57 -1.26 3.99 2.12 -1.26 -5.01 118.70 117.78 2eli s GLU 73 Ca 0.01 -0.16 -0.07 0.00 0.36 0.00 0.00 54.97 55.11 2eli s GLU 73 Cb -0.02 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 2eli s GLU 73 CO -0.00 -0.24 0.66 1.63 -0.54 0.00 0.00 175.26 176.77 2eli n LYS 74 N -0.02 -3.07 0.22 4.30 5.02 -1.26 -4.90 118.16 118.45 2eli n LYS 74 Ca -0.05 0.52 -0.15 0.00 -2.02 0.00 0.00 58.31 56.61 2eli n LYS 74 Cb 0.60 -4.68 -0.07 0.00 -0.02 0.00 0.00 35.03 30.86 2eli n LYS 74 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eli h ARG 75 N -1.83 -0.64 -0.27 1.97 2.47 -2.04 -3.49 114.38 110.55 2eli h ARG 75 Ca -0.63 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.13 2eli h ARG 75 Cb 1.36 0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 29.82 2eli h ARG 75 CO 0.55 -0.43 -0.08 0.41 0.56 0.00 0.00 179.97 180.98 2eli n GLY 76 N -1.42 -2.85 3.26 0.04 0.00 -1.26 -5.07 105.19 97.89 2eli n GLY 76 Ca -0.10 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 2eli n GLY 76 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2eli s ARG 77 N -3.92 0.50 -0.13 1.61 3.00 -1.26 -5.16 118.95 113.60 2eli s ARG 77 Ca 0.00 0.35 -0.07 0.00 -1.00 0.00 0.00 55.73 55.01 2eli s ARG 77 Cb 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 34.95 35.15 2eli s ARG 77 CO 0.00 -0.09 0.14 0.42 0.00 0.00 0.00 175.30 175.77 2eli s ILE 78 N -0.17 5.50 0.90 4.11 -1.09 -1.26 -5.11 121.20 124.09 2eli s ILE 78 Ca -0.03 0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.48 2eli s ILE 78 Cb -0.03 -3.41 0.18 0.00 -1.58 0.00 0.00 42.46 37.63 2eli s ILE 78 CO 0.02 0.61 1.24 -0.31 -1.23 0.00 0.00 174.94 175.26 2eli s TYR 79 N -0.92 1.54 -0.03 3.97 2.02 -1.26 -5.10 117.35 117.57 2eli s TYR 79 Ca 0.15 0.15 0.04 0.00 -0.37 0.00 0.00 57.07 57.03 2eli s TYR 79 Cb -0.12 -3.84 -0.00 0.00 -0.40 0.00 0.00 41.96 37.60 2eli s TYR 79 CO 0.04 -2.43 -0.15 -1.17 -1.57 0.00 0.00 175.55 170.26 2eli s LEU 80 N -5.71 1.90 0.30 -1.29 2.96 -1.26 -5.15 118.68 110.44 2eli s LEU 80 Ca 0.72 -0.31 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 2eli s LEU 80 Cb -0.04 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.73 2eli s LEU 80 CO 0.51 0.14 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.86 2eli s LYS 81 N 0.01 1.65 0.33 1.98 2.20 -1.26 -5.17 119.74 119.48 2eli s LYS 81 Ca -0.02 -1.84 0.03 0.00 -0.36 0.00 0.00 55.97 53.78 2eli s LYS 81 Cb -0.10 -1.34 -0.05 0.00 -1.51 0.00 0.00 37.83 34.83 2eli s LYS 81 CO 0.01 0.07 0.09 0.00 -0.36 0.00 0.00 175.35 175.17 2eli s ALA 82 N -2.88 2.32 0.23 3.13 0.00 -1.26 -5.17 121.76 118.13 2eli s ALA 82 Ca 0.31 -1.78 0.10 0.00 0.00 0.00 0.00 51.96 50.59 2eli s ALA 82 Cb 0.03 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.93 2eli s ALA 82 CO 0.14 -0.37 -0.12 -1.21 0.00 0.00 0.00 175.76 174.19 2eli s GLU 83 N -3.87 1.93 -0.02 0.00 8.01 -1.26 -5.14 118.70 118.34 2eli s GLU 83 Ca 0.34 -1.48 -0.01 0.00 0.01 0.00 0.00 54.97 53.82 2eli s GLU 83 Cb 0.07 -2.00 0.02 0.00 -4.31 0.00 0.00 34.13 27.90 2eli s GLU 83 CO 0.15 0.38 0.04 0.08 0.01 0.00 0.00 175.26 175.92 2eli s VAL 84 N -2.07 -0.03 -0.34 2.63 1.01 -1.26 -5.38 120.40 114.96 2eli s VAL 84 Ca 0.27 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.37 2eli s VAL 84 Cb -0.07 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.25 2eli s VAL 84 CO 0.15 0.04 0.59 0.00 0.00 0.00 0.00 175.10 175.88