#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6a n SER 2 N 0.00 -5.38 -3.85 1.61 3.41 -1.26 -5.02 113.62 103.14 1x6a n SER 2 Ca 0.00 -0.29 -0.08 0.00 -0.26 0.00 0.00 58.87 58.23 1x6a n SER 2 Cb 0.00 -1.63 -0.03 0.00 -0.26 0.00 0.00 64.21 62.29 1x6a n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x6a s SER 3 N -1.71 -0.23 0.00 4.04 1.04 -1.26 -5.19 113.70 110.40 1x6a s SER 3 Ca 0.33 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1x6a s SER 3 Cb -0.03 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1x6a s SER 3 CO 0.88 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1x6a n GLY 4 N -0.40 1.19 3.37 7.32 0.00 -1.26 -5.20 105.19 110.20 1x6a n GLY 4 Ca -0.05 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 1x6a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6a s SER 5 N 0.00 -0.28 0.10 1.61 0.15 -1.26 -5.03 113.70 108.99 1x6a s SER 5 Ca 0.00 -0.31 0.10 0.00 0.70 0.00 0.00 55.95 56.43 1x6a s SER 5 Cb 0.00 0.51 -0.18 0.00 -1.71 0.00 0.00 66.02 64.64 1x6a s SER 5 CO 0.00 -0.91 1.14 0.77 1.20 0.00 0.00 173.24 175.44 1x6a h SER 6 N 2.29 0.00 -2.84 5.45 4.64 -2.07 -3.50 113.55 117.51 1x6a h SER 6 Ca -0.33 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.03 1x6a h SER 6 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1x6a h SER 6 CO 0.44 0.92 -0.06 0.61 -0.87 0.00 0.00 176.83 177.87 1x6a n GLY 7 N 1.38 -1.68 3.64 -0.77 0.00 -1.26 -4.89 105.19 101.61 1x6a n GLY 7 Ca -0.04 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1x6a n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6a s LYS 8 N -0.37 0.57 0.89 1.61 2.47 -1.26 -5.00 119.74 118.65 1x6a s LYS 8 Ca 0.00 0.96 -0.10 0.00 -1.56 0.00 0.00 55.97 55.26 1x6a s LYS 8 Cb 0.00 -1.72 0.13 0.00 -1.46 0.00 0.00 37.83 34.78 1x6a s LYS 8 CO 0.00 -2.75 1.12 0.34 0.16 0.00 0.00 175.35 174.22 1x6a s ASP 9 N -3.03 3.27 -0.37 1.43 2.15 -1.26 -5.01 116.67 113.85 1x6a s ASP 9 Ca 0.65 2.03 0.12 0.00 0.43 0.00 0.00 52.55 55.78 1x6a s ASP 9 Cb -0.21 -2.52 0.41 0.00 -0.30 0.00 0.00 42.92 40.30 1x6a s ASP 9 CO 0.59 -2.85 1.20 0.00 -0.17 0.00 0.00 175.17 173.94 1x6a n TYR 10 N -4.06 -1.21 -4.03 -5.34 0.18 -1.26 -5.12 117.16 96.32 1x6a n TYR 10 Ca 0.10 -2.26 -0.01 0.00 1.88 0.00 0.00 57.90 57.61 1x6a n TYR 10 Cb 0.53 0.90 -0.00 0.00 -0.38 0.00 0.00 39.34 40.38 1x6a n TYR 10 CO 0.00 0.00 0.00 0.91 -2.08 0.00 0.00 176.86 175.69 1x6a n TRP 11 N -0.36 0.04 0.00 -3.48 7.02 -1.26 -5.03 117.44 114.36 1x6a n TRP 11 Ca 0.02 -0.08 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 1x6a n TRP 11 Cb 0.83 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.71 1x6a n TRP 11 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1x6a n GLY 12 N 4.68 0.00 3.53 6.99 0.00 -1.26 -5.09 105.19 114.04 1x6a n GLY 12 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1x6a n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6a s LYS 13 N 0.00 3.26 -1.28 1.61 2.36 -1.26 -4.94 119.74 119.49 1x6a s LYS 13 Ca 0.00 -0.52 -0.18 0.00 -2.55 0.00 0.00 55.97 52.72 1x6a s LYS 13 Cb 0.00 -4.41 0.02 0.00 -1.05 0.00 0.00 37.83 32.39 1x6a s LYS 13 CO 0.00 -2.10 1.90 1.19 1.55 0.00 0.00 175.35 177.89 1x6a n PHE 14 N 8.97 3.88 -4.33 4.03 3.72 -1.26 -4.86 117.46 127.62 1x6a n PHE 14 Ca 0.08 -2.57 -0.18 0.00 -0.05 0.00 0.00 57.45 54.73 1x6a n PHE 14 Cb 0.49 -2.55 -0.06 0.00 -0.94 0.00 0.00 39.48 36.42 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x6a n GLY 15 N 5.10 3.34 3.79 1.37 0.00 -1.26 -5.16 105.19 112.37 1x6a n GLY 15 Ca 0.49 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1x6a n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6a s GLU 16 N -3.15 4.40 0.14 1.61 8.01 -1.26 -5.09 118.70 123.36 1x6a s GLU 16 Ca 0.21 0.98 0.06 0.00 0.01 0.00 0.00 54.97 56.23 1x6a s GLU 16 Cb 0.01 -3.18 -0.04 0.00 -4.31 0.00 0.00 34.13 26.62 1x6a s GLU 16 CO 0.15 0.56 -0.14 -0.06 0.01 0.00 0.00 175.26 175.78 1x6a s PHE 17 N -1.22 1.44 -0.62 1.61 0.40 -1.26 -3.61 117.98 114.73 1x6a s PHE 17 Ca 0.35 -0.57 -0.27 0.00 -0.60 0.00 0.00 56.93 55.83 1x6a s PHE 17 Cb -0.21 -0.74 0.01 0.00 0.51 0.00 0.00 43.02 42.60 1x6a s PHE 17 CO 0.23 0.17 1.45 0.00 0.70 0.00 0.00 175.22 177.77 1x6a h HIS 19 N 11.38 0.84 -0.75 0.00 3.86 -1.84 0.34 115.15 128.98 1x6a h HIS 19 Ca -0.27 0.04 0.19 0.00 -1.16 0.00 0.00 60.37 59.17 1x6a h HIS 19 Cb 1.09 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 29.30 1x6a h HIS 19 CO 1.06 0.06 0.52 0.78 0.86 0.00 0.00 177.93 181.21 1x6a h GLY 20 N 0.54 0.28 0.00 2.45 0.00 -1.90 -2.99 103.07 101.46 1x6a h GLY 20 Ca 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1x6a h GLY 20 CO -0.47 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.08 1x6a n SER 22 N -0.80 -4.36 -4.19 0.00 7.64 0.10 -5.02 113.62 106.99 1x6a n SER 22 Ca 0.00 -0.10 -0.23 0.00 1.01 0.00 0.00 58.87 59.54 1x6a n SER 22 Cb 0.00 -3.38 -0.14 0.00 -1.01 0.00 0.00 64.21 59.68 1x6a n SER 22 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x6a s LEU 23 N -4.21 2.13 0.31 -3.43 1.43 -1.24 -4.93 118.68 108.75 1x6a s LEU 23 Ca 0.10 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1x6a s LEU 23 Cb -0.05 -0.83 -0.10 0.00 0.03 0.00 0.00 46.19 45.25 1x6a s LEU 23 CO 0.13 0.14 1.32 -0.22 0.23 0.00 0.00 176.35 177.95 1x6a s LEU 24 N -0.93 4.42 0.32 1.79 2.96 -1.26 -0.95 118.68 125.03 1x6a s LEU 24 Ca 0.05 2.67 0.04 0.00 -0.22 0.00 0.00 54.13 56.68 1x6a s LEU 24 Cb -0.08 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 1x6a s LEU 24 CO 0.01 -0.56 0.47 0.00 -1.32 0.00 0.00 176.35 174.95 1x6a s MET 25 N -1.53 3.30 0.00 1.98 0.00 -1.24 -4.90 119.30 116.91 1x6a s MET 25 Ca 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 55.69 55.48 1x6a s MET 25 Cb -0.40 -2.78 0.00 0.00 0.00 0.00 0.00 34.83 31.65 1x6a s MET 25 CO 0.51 0.17 0.57 0.25 0.00 0.00 0.00 175.02 176.52 1x6a n THR 26 N -1.64 0.23 -3.73 3.16 -2.24 -1.26 -5.00 114.28 103.79 1x6a n THR 26 Ca -0.04 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1x6a n THR 26 Cb 0.57 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1x6a n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x6a n GLY 27 N -0.11 3.91 3.68 3.38 0.00 -1.26 -5.16 105.19 109.63 1x6a n GLY 27 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1x6a n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6a s PRO 28 N -1.60 1.05 0.33 1.61 0.04 -1.26 -5.08 135.00 130.09 1x6a s PRO 28 Ca 0.00 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1x6a s PRO 28 Cb 0.00 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1x6a s PRO 28 CO 0.00 -2.47 0.12 -0.59 0.04 0.00 0.00 177.00 174.11 1x6a s PHE 29 N -2.77 1.70 -0.08 0.56 -0.12 -1.26 -4.78 117.98 111.23 1x6a s PHE 29 Ca 0.65 -1.25 0.03 0.00 -0.05 0.00 0.00 56.93 56.31 1x6a s PHE 29 Cb -0.20 -1.02 -0.02 0.00 -0.63 0.00 0.00 43.02 41.16 1x6a s PHE 29 CO 0.58 -0.34 -0.18 1.41 -0.05 0.00 0.00 175.22 176.64 1x6a s MET 30 N -3.84 2.83 -0.15 1.99 1.75 -0.03 -4.89 119.30 116.97 1x6a s MET 30 Ca 0.33 -0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 53.98 1x6a s MET 30 Cb 0.05 -2.38 -0.02 0.00 2.84 0.00 0.00 34.83 35.33 1x6a s MET 30 CO 0.16 0.38 -0.09 0.08 -0.65 0.00 0.00 175.02 174.90 1x6a s VAL 31 N -0.13 3.40 -0.18 10.11 1.01 -1.26 -1.31 120.40 132.05 1x6a s VAL 31 Ca -0.03 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1x6a s VAL 31 Cb -0.14 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1x6a s VAL 31 CO 0.04 0.50 0.46 0.00 0.00 0.00 0.00 175.10 176.10 1x6a s ALA 32 N 0.47 -1.16 -1.55 5.51 0.00 -1.02 -4.90 121.76 119.11 1x6a s ALA 32 Ca -0.07 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1x6a s ALA 32 Cb -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1x6a s ALA 32 CO 0.04 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1x6a n GLY 33 N 3.53 0.67 2.67 0.00 0.00 -1.26 -1.00 105.19 109.80 1x6a n GLY 33 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1x6a n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6a n GLU 34 N -2.40 0.00 -2.51 1.61 1.02 -1.26 -5.05 120.64 112.05 1x6a n GLU 34 Ca -0.17 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.74 1x6a n GLU 34 Cb 0.57 -2.14 0.08 0.00 -0.02 0.00 0.00 31.44 29.93 1x6a n GLU 34 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1x6a s PHE 35 N -3.69 2.26 -0.07 -0.32 0.08 -0.17 -5.12 117.98 110.94 1x6a s PHE 35 Ca 0.00 -0.04 -0.00 0.00 0.12 0.00 0.00 56.93 57.01 1x6a s PHE 35 Cb 0.00 -2.99 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1x6a s PHE 35 CO 0.00 -1.40 -0.03 0.21 -0.10 0.00 0.00 175.22 173.90 1x6a s LYS 36 N -5.06 0.89 0.02 0.44 2.20 -1.26 -2.43 119.74 114.54 1x6a s LYS 36 Ca 0.62 -0.04 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 1x6a s LYS 36 Cb -0.08 -1.07 -0.02 0.00 -1.51 0.00 0.00 37.83 35.15 1x6a s LYS 36 CO 0.43 -0.23 -0.00 0.71 -0.36 0.00 0.00 175.35 175.90 1x6a s TYR 37 N 1.59 0.22 0.48 4.03 2.02 -0.42 -2.81 117.35 122.46 1x6a s TYR 37 Ca 0.00 -0.46 -0.22 0.00 -0.37 0.00 0.00 57.07 56.02 1x6a s TYR 37 Cb -0.13 -0.17 -0.07 0.00 -0.40 0.00 0.00 41.96 41.19 1x6a s TYR 37 CO -0.04 -0.21 1.13 -1.01 -1.57 0.00 0.00 175.55 173.86 1x6a s HIS 38 N -1.44 2.85 0.38 2.71 3.76 -1.26 -0.85 115.29 121.44 1x6a s HIS 38 Ca -0.16 1.55 0.10 0.00 -0.15 0.00 0.00 55.06 56.40 1x6a s HIS 38 Cb -0.10 -3.30 0.86 0.00 1.11 0.00 0.00 32.58 31.15 1x6a s HIS 38 CO -0.01 -1.39 1.91 -1.00 -0.85 0.00 0.00 174.74 173.40 1x6a h PRO 39 N 1.77 0.62 0.00 8.40 0.13 -1.90 0.92 132.00 141.93 1x6a h PRO 39 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1x6a h PRO 39 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1x6a h PRO 39 CO 0.59 0.41 0.00 0.39 -0.23 0.00 0.00 178.00 179.16 1x6a n GLU 40 N -4.51 0.10 0.00 0.86 1.02 -1.26 -0.83 120.64 116.02 1x6a n GLU 40 Ca 0.14 0.49 0.09 0.00 -0.02 0.00 0.00 57.16 57.87 1x6a n GLU 40 Cb 0.41 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 29.98 1x6a n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x6a s PHE 42 N -2.60 3.73 0.08 0.00 5.36 -0.01 -4.92 117.98 119.62 1x6a s PHE 42 Ca 0.10 -2.06 0.01 0.00 -0.96 0.00 0.00 56.93 54.02 1x6a s PHE 42 Cb 0.15 -3.97 -0.04 0.00 -0.34 0.00 0.00 43.02 38.81 1x6a s PHE 42 CO 0.68 -1.12 -0.05 0.00 -1.46 0.00 0.00 175.22 173.27 1x6a s ALA 43 N 0.48 0.80 -0.00 11.12 0.00 -1.26 -0.81 121.76 132.09 1x6a s ALA 43 Ca 0.27 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1x6a s ALA 43 Cb -0.08 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1x6a s ALA 43 CO -0.08 -0.29 1.54 0.00 0.00 0.00 0.00 175.76 176.93 1x6a h MET 45 N 8.44 0.10 0.00 0.00 4.05 -1.48 0.24 114.93 126.28 1x6a h MET 45 Ca -0.39 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.01 1x6a h MET 45 Cb 1.18 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1x6a h MET 45 CO 0.93 0.07 -0.35 1.03 0.23 0.00 0.00 176.91 178.82 1x6a h SER 46 N 0.11 0.00 1.00 1.39 0.87 -1.89 -3.40 113.55 111.62 1x6a h SER 46 Ca 0.29 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1x6a h SER 46 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1x6a h SER 46 CO -0.03 0.70 -0.09 0.00 -0.53 0.00 0.00 176.83 176.88 1x6a n LYS 48 N -1.63 0.00 -2.00 0.00 4.01 0.84 -4.95 118.16 114.43 1x6a n LYS 48 Ca 0.06 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.46 1x6a n LYS 48 Cb 0.36 -3.76 -0.01 0.00 -0.51 0.00 0.00 35.03 31.11 1x6a n LYS 48 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1x6a s VAL 49 N -1.91 2.47 0.34 -0.18 0.11 -1.26 -4.58 120.40 115.40 1x6a s VAL 49 Ca 0.00 0.47 -0.28 0.00 -2.93 0.00 0.00 61.98 59.25 1x6a s VAL 49 Cb 0.00 -3.30 -0.09 0.00 -1.53 0.00 0.00 36.38 31.46 1x6a s VAL 49 CO 0.00 0.11 1.20 -0.63 -3.33 0.00 0.00 175.10 172.45 1x6a s ILE 50 N -1.05 3.09 0.39 7.04 -1.09 -1.26 -1.06 121.20 127.26 1x6a s ILE 50 Ca 0.51 1.03 0.02 0.00 -2.23 0.00 0.00 60.65 59.98 1x6a s ILE 50 Cb -0.42 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1x6a s ILE 50 CO 0.56 0.19 0.57 -0.63 -1.23 0.00 0.00 174.94 174.41 1x6a s ILE 51 N -1.25 4.28 0.22 2.92 -1.09 0.01 -4.87 121.20 121.42 1x6a s ILE 51 Ca 0.51 -0.66 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 1x6a s ILE 51 Cb -0.34 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1x6a s ILE 51 CO 0.44 -0.32 0.01 -1.61 -1.23 0.00 0.00 174.94 172.23 1x6a s GLU 52 N -4.37 1.27 0.19 2.79 2.02 -1.26 -4.91 118.70 114.43 1x6a s GLU 52 Ca 0.45 -1.64 0.20 0.00 0.02 0.00 0.00 54.97 54.00 1x6a s GLU 52 Cb -0.10 -0.47 0.87 0.00 0.10 0.00 0.00 34.13 34.53 1x6a s GLU 52 CO 0.35 -0.13 1.62 -3.47 0.02 0.00 0.00 175.26 173.65 1x6a n ASP 53 N -0.37 0.47 -0.48 -0.19 2.03 -1.26 -1.75 116.55 115.00 1x6a n ASP 53 Ca -0.05 0.63 0.08 0.00 0.52 0.00 0.00 54.79 55.96 1x6a n ASP 53 Cb 0.64 -0.72 0.17 0.00 -0.72 0.00 0.00 41.12 40.49 1x6a n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6a n GLY 54 N -0.18 3.99 3.60 0.27 0.00 -1.26 -5.03 105.19 106.58 1x6a n GLY 54 Ca 0.02 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 1x6a n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x6a s ASP 55 N -1.98 4.38 -0.08 1.61 2.15 -0.72 -5.11 116.67 116.91 1x6a s ASP 55 Ca 0.31 -0.62 -0.27 0.00 0.43 0.00 0.00 52.55 52.40 1x6a s ASP 55 Cb 0.25 -0.77 -0.02 0.00 -0.30 0.00 0.00 42.92 42.07 1x6a s ASP 55 CO 0.07 0.05 0.87 0.00 -0.17 0.00 0.00 175.17 176.00 1x6a s ALA 56 N -2.02 3.35 0.07 3.66 0.00 -1.26 -4.77 121.76 120.78 1x6a s ALA 56 Ca 0.28 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1x6a s ALA 56 Cb -0.08 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1x6a s ALA 56 CO 0.17 -0.38 -0.05 1.52 0.00 0.00 0.00 175.76 177.02 1x6a s TYR 57 N 1.46 0.68 -0.04 0.00 -0.85 -1.26 -0.59 117.35 116.75 1x6a s TYR 57 Ca 0.44 -0.83 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1x6a s TYR 57 Cb -0.18 -0.42 0.03 0.00 0.38 0.00 0.00 41.96 41.76 1x6a s TYR 57 CO 0.19 -0.20 0.07 0.00 -1.52 0.00 0.00 175.55 174.09 1x6a s ALA 58 N -3.03 -0.01 0.31 9.51 0.00 -0.51 -4.59 121.76 123.45 1x6a s ALA 58 Ca 0.03 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.37 1x6a s ALA 58 Cb 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1x6a s ALA 58 CO -0.05 -0.19 0.56 -1.17 0.00 0.00 0.00 175.76 174.91 1x6a s LEU 59 N 1.29 4.03 0.24 0.00 2.96 -1.26 -0.84 118.68 125.09 1x6a s LEU 59 Ca -0.07 0.64 0.11 0.00 -0.22 0.00 0.00 54.13 54.59 1x6a s LEU 59 Cb -0.12 -3.48 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1x6a s LEU 59 CO -0.04 -0.24 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.92 1x6a s VAL 60 N -2.18 2.84 0.42 1.68 1.01 -0.91 -4.94 120.40 118.32 1x6a s VAL 60 Ca 0.43 -2.08 0.13 0.00 0.00 0.00 0.00 61.98 60.46 1x6a s VAL 60 Cb -0.10 -2.46 0.33 0.00 0.00 0.00 0.00 36.38 34.14 1x6a s VAL 60 CO 0.33 -0.29 1.96 0.06 0.00 0.00 0.00 175.10 177.15 1x6a h GLN 61 N 2.45 0.45 -7.34 2.72 3.07 -2.00 -3.42 115.11 111.03 1x6a h GLN 61 Ca -0.43 -0.03 -0.46 0.00 0.09 0.00 0.00 58.65 57.82 1x6a h GLN 61 Cb 1.24 -0.10 0.11 0.00 0.08 0.00 0.00 27.48 28.81 1x6a h GLN 61 CO 0.57 0.29 0.21 -1.01 0.09 0.00 0.00 178.83 178.98 1x6a s HIS 62 N -5.44 1.41 -1.20 0.06 3.76 -1.26 -4.96 115.29 107.66 1x6a s HIS 62 Ca -0.08 -0.16 -0.21 0.00 -0.15 0.00 0.00 55.06 54.46 1x6a s HIS 62 Cb 0.20 -3.34 -0.01 0.00 1.11 0.00 0.00 32.58 30.54 1x6a s HIS 62 CO 0.76 -2.08 1.82 0.00 -0.85 0.00 0.00 174.74 174.39 1x6a s ALA 63 N -3.39 2.48 -0.23 -1.40 0.00 -1.26 -4.84 121.76 113.13 1x6a s ALA 63 Ca 0.70 -2.44 -0.24 0.00 0.00 0.00 0.00 51.96 49.98 1x6a s ALA 63 Cb -0.04 -4.65 0.06 0.00 0.00 0.00 0.00 23.12 18.50 1x6a s ALA 63 CO 0.47 -4.29 0.66 0.99 0.00 0.00 0.00 175.76 173.59 1x6a s THR 64 N 7.74 0.00 -0.13 0.00 2.01 -1.26 -5.08 115.64 118.92 1x6a s THR 64 Ca 0.61 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.60 1x6a s THR 64 Cb 0.01 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.62 1x6a s THR 64 CO 0.09 -0.00 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.72 1x6a s LEU 65 N 0.19 1.30 0.38 4.42 2.96 -1.26 -2.13 118.68 124.54 1x6a s LEU 65 Ca -0.01 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1x6a s LEU 65 Cb -0.04 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.73 1x6a s LEU 65 CO 0.02 -0.13 0.18 -0.31 -1.32 0.00 0.00 176.35 174.79 1x6a s TYR 66 N 1.68 2.66 0.28 5.38 2.02 -0.02 -1.13 117.35 128.21 1x6a s TYR 66 Ca 0.04 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.22 1x6a s TYR 66 Cb -0.13 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.55 1x6a s TYR 66 CO -0.08 0.23 0.52 0.00 -1.57 0.00 0.00 175.55 174.64 1x6a h GLY 68 N 1.66 1.08 2.00 0.00 0.00 -1.10 0.12 103.07 106.83 1x6a h GLY 68 Ca -0.48 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 1x6a h GLY 68 CO 0.66 0.32 -0.01 0.50 0.00 0.00 0.00 176.54 178.01 1x6a h LYS 69 N 0.94 0.00 0.00 4.80 1.57 -1.95 -0.91 116.57 121.03 1x6a h LYS 69 Ca 0.30 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.76 1x6a h LYS 69 Cb -0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.25 1x6a h LYS 69 CO -0.10 0.01 -1.70 0.00 -0.57 0.00 0.00 179.45 177.09 1x6a h HIS 71 N -0.97 0.00 0.00 0.00 6.17 -0.51 0.71 115.15 120.55 1x6a h HIS 71 Ca -0.47 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.61 1x6a h HIS 71 Cb 1.43 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.36 1x6a h HIS 71 CO 0.04 0.00 0.00 -0.97 0.71 0.00 0.00 177.93 177.71 1x6a h ASN 72 N 0.00 0.00 0.79 3.26 -0.73 -1.34 -1.39 115.58 116.16 1x6a h ASN 72 Ca 0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1x6a h ASN 72 Cb 0.15 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.74 1x6a h ASN 72 CO -0.00 0.00 -0.78 -0.08 -0.37 0.00 0.00 177.43 176.20 1x6a h GLU 73 N 0.00 0.00 0.00 6.67 4.81 -1.06 -3.36 114.58 121.63 1x6a h GLU 73 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1x6a h GLU 73 Cb 0.11 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1x6a h GLU 73 CO 0.00 0.00 -0.05 -0.24 -0.73 0.00 0.00 179.01 177.99 1x6a h VAL 74 N 0.00 0.87 -0.04 0.32 3.04 -1.35 -2.63 116.25 116.46 1x6a h VAL 74 Ca 0.00 -0.19 0.01 0.00 -1.01 0.00 0.00 66.70 65.51 1x6a h VAL 74 Cb 0.78 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1x6a h VAL 74 CO 0.00 0.05 0.11 -0.37 -1.01 0.00 0.00 177.57 176.36 1x6a h VAL 75 N 0.00 0.15 0.00 1.51 -1.51 -1.75 -2.20 116.25 112.46 1x6a h VAL 75 Ca -0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 1x6a h VAL 75 Cb 0.10 0.89 -0.00 0.00 -2.13 0.00 0.00 31.29 30.16 1x6a h VAL 75 CO 0.01 0.00 -0.13 -1.28 -1.23 0.00 0.00 177.57 174.93 1x6a h SER 76 N 0.00 0.00 0.00 4.19 0.87 -1.77 -3.38 113.55 113.46 1x6a h SER 76 Ca 0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.41 1x6a h SER 76 Cb 0.24 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.07 1x6a h SER 76 CO -0.00 0.13 -0.20 0.61 -0.53 0.00 0.00 176.83 176.84 1x6a n GLY 77 N -1.12 -0.55 3.58 5.77 0.00 -0.86 -5.17 105.19 106.85 1x6a n GLY 77 Ca -0.03 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 1x6a n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6a s PRO 78 N 0.21 -1.44 0.00 1.61 0.04 -1.01 -5.08 135.00 129.34 1x6a s PRO 78 Ca 0.23 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.12 1x6a s PRO 78 Cb 0.28 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 33.24 1x6a s PRO 78 CO -0.14 -3.84 0.00 0.43 0.04 0.00 0.00 177.00 173.49 1x6a n SER 79 N -4.84 1.86 -1.30 6.66 7.64 -1.26 -5.11 113.62 117.27 1x6a n SER 79 Ca 0.14 -0.57 -0.02 0.00 1.01 0.00 0.00 58.87 59.43 1x6a n SER 79 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 1x6a n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x6a n SER 80 N -0.65 0.09 0.00 6.43 2.88 -1.26 -5.23 113.62 115.89 1x6a n SER 80 Ca 0.00 -1.22 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 1x6a n SER 80 Cb 0.00 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42