#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 -5.85 -4.64 1.61 2.88 -1.26 -4.98 113.62 101.38 1x6a n SER 2 Ca 0.00 -0.44 -0.29 0.00 -1.33 0.00 0.00 58.87 56.81 1x6a n SER 2 Cb 0.00 -4.69 0.18 0.00 -0.75 0.00 0.00 64.21 58.96 1x6a n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x6a s SER 3 N -2.97 2.52 0.00 -3.46 0.15 -1.26 -5.06 113.70 103.61 1x6a s SER 3 Ca 0.45 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.67 1x6a s SER 3 Cb -0.21 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1x6a s SER 3 CO 0.56 -3.25 0.00 0.61 1.20 0.00 0.00 173.24 172.35 1x6a n GLY 4 N -0.34 3.98 3.41 9.45 0.00 -1.26 -5.18 105.19 115.25 1x6a n GLY 4 Ca 0.06 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 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 0.15 3.26 0.27 1.61 0.15 -1.26 -5.13 113.70 112.74 1x6a s SER 5 Ca 0.00 -0.89 -0.20 0.00 0.70 0.00 0.00 55.95 55.56 1x6a s SER 5 Cb 0.00 -0.23 0.06 0.00 -1.71 0.00 0.00 66.02 64.13 1x6a s SER 5 CO 0.00 0.07 0.89 -0.94 1.20 0.00 0.00 173.24 174.46 1x6a s SER 6 N -2.78 -0.07 0.00 5.45 1.04 -1.26 -5.20 113.70 110.88 1x6a s SER 6 Ca 0.21 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1x6a s SER 6 Cb -0.07 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1x6a s SER 6 CO 0.10 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1x6a n GLY 7 N -0.56 -1.29 3.20 7.32 0.00 -1.26 -5.17 105.19 107.43 1x6a n GLY 7 Ca -0.06 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.67 0.48 -0.21 1.61 2.47 -1.26 -5.16 119.74 117.00 1x6a s LYS 8 Ca 0.00 0.11 -0.00 0.00 -1.56 0.00 0.00 55.97 54.51 1x6a s LYS 8 Cb 0.00 0.22 0.06 0.00 -1.46 0.00 0.00 37.83 36.65 1x6a s LYS 8 CO 0.00 -0.10 -0.03 -0.51 0.16 0.00 0.00 175.35 174.87 1x6a s ASP 9 N -0.55 3.45 -0.17 1.43 1.01 -1.26 -4.98 116.67 115.60 1x6a s ASP 9 Ca -0.07 -1.01 0.13 0.00 0.71 0.00 0.00 52.55 52.32 1x6a s ASP 9 Cb -0.04 -0.97 -0.23 0.00 1.01 0.00 0.00 42.92 42.68 1x6a s ASP 9 CO 0.02 -0.25 0.18 0.00 0.21 0.00 0.00 175.17 175.33 1x6a n TYR 10 N 4.81 0.30 -1.04 4.23 4.11 -1.26 -4.99 117.16 123.31 1x6a n TYR 10 Ca -0.11 0.10 -0.30 0.00 -0.00 0.00 0.00 57.90 57.59 1x6a n TYR 10 Cb 0.45 -1.05 0.24 0.00 -0.00 0.00 0.00 39.34 38.98 1x6a n TYR 10 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1x6a s TRP 11 N -2.52 0.60 0.01 -3.48 1.48 -1.26 -5.09 118.94 108.67 1x6a s TRP 11 Ca -0.13 0.56 -0.10 0.00 -1.06 0.00 0.00 56.10 55.36 1x6a s TRP 11 Cb 0.07 -3.40 0.03 0.00 -1.16 0.00 0.00 33.47 29.02 1x6a s TRP 11 CO 0.79 -3.85 0.46 0.41 -4.06 0.00 0.00 176.95 170.70 1x6a n GLY 12 N -0.81 0.58 3.28 3.67 0.00 -1.26 -5.19 105.19 105.47 1x6a n GLY 12 Ca 0.12 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 1x6a n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6a s LYS 13 N -2.01 1.30 0.39 1.61 3.01 -1.26 -5.06 119.74 117.72 1x6a s LYS 13 Ca 0.11 -1.68 0.21 0.00 -1.01 0.00 0.00 55.97 53.60 1x6a s LYS 13 Cb -0.00 -0.20 0.36 0.00 -1.01 0.00 0.00 37.83 36.98 1x6a s LYS 13 CO 0.00 -0.26 1.59 0.74 0.51 0.00 0.00 175.35 177.94 1x6a h PHE 14 N 2.50 0.00 -3.70 3.18 0.04 -2.08 -3.46 116.94 113.42 1x6a h PHE 14 Ca -0.38 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 59.94 1x6a h PHE 14 Cb 1.23 0.00 0.18 0.00 2.20 0.00 0.00 35.95 39.56 1x6a h PHE 14 CO 0.47 0.21 0.14 0.20 -0.60 0.00 0.00 178.31 178.73 1x6a s GLY 15 N -4.31 1.57 0.10 -1.45 0.00 -1.26 -5.06 107.32 96.91 1x6a s GLY 15 Ca 0.05 -0.23 0.07 0.00 0.00 0.00 0.00 44.72 44.61 1x6a s GLY 15 CO 0.69 0.40 -0.12 -1.83 0.00 0.00 0.00 173.10 172.24 1x6a s GLU 16 N -4.79 2.05 0.11 2.90 -1.05 -1.26 -5.14 118.70 111.52 1x6a s GLU 16 Ca 0.66 -1.05 0.07 0.00 -0.15 0.00 0.00 54.97 54.50 1x6a s GLU 16 Cb -0.21 -2.26 -0.03 0.00 -0.44 0.00 0.00 34.13 31.19 1x6a s GLU 16 CO 0.60 0.50 -0.17 -0.06 0.95 0.00 0.00 175.26 177.08 1x6a s PHE 17 N -1.19 1.53 -0.08 4.83 0.08 -1.26 -3.61 117.98 118.28 1x6a s PHE 17 Ca 0.20 -0.47 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 1x6a s PHE 17 Cb -0.11 -0.82 -0.06 0.00 -0.57 0.00 0.00 43.02 41.46 1x6a s PHE 17 CO 0.13 0.16 1.85 0.00 -0.10 0.00 0.00 175.22 177.26 1x6a h HIS 19 N 11.02 0.00 0.00 0.00 -0.00 -1.71 0.20 115.15 124.66 1x6a h HIS 19 Ca -0.42 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 59.85 1x6a h HIS 19 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 1x6a h HIS 19 CO 0.93 0.00 -0.47 0.78 -0.00 0.00 0.00 177.93 179.17 1x6a h GLY 20 N 0.00 0.00 0.00 2.45 0.00 -1.88 -3.38 103.07 100.26 1x6a h GLY 20 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1x6a h GLY 20 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1x6a n SER 22 N -0.01 -2.50 -4.89 0.00 3.41 0.46 -4.93 113.62 105.16 1x6a n SER 22 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1x6a n SER 22 Cb 0.15 -2.70 -0.05 0.00 -0.26 0.00 0.00 64.21 61.35 1x6a n SER 22 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1x6a s LEU 23 N 0.00 4.27 0.79 1.04 1.43 -1.26 -4.75 118.68 120.20 1x6a s LEU 23 Ca 0.00 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1x6a s LEU 23 Cb 0.00 -3.29 0.07 0.00 0.03 0.00 0.00 46.19 43.00 1x6a s LEU 23 CO 0.00 0.06 1.11 -0.22 0.23 0.00 0.00 176.35 177.53 1x6a s LEU 24 N -2.54 3.03 0.06 1.79 2.96 -1.26 -0.80 118.68 121.92 1x6a s LEU 24 Ca 0.40 1.92 0.05 0.00 -0.22 0.00 0.00 54.13 56.28 1x6a s LEU 24 Cb -0.12 -4.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.01 1x6a s LEU 24 CO 0.23 -2.22 -0.13 0.00 -1.32 0.00 0.00 176.35 172.90 1x6a s MET 25 N -4.78 0.79 0.00 1.98 0.00 -1.24 -4.83 119.30 111.22 1x6a s MET 25 Ca 0.63 -0.91 0.00 0.00 0.00 0.00 0.00 55.69 55.41 1x6a s MET 25 Cb -0.19 -0.77 0.00 0.00 0.00 0.00 0.00 34.83 33.88 1x6a s MET 25 CO 0.55 0.17 0.00 0.25 0.00 0.00 0.00 175.02 175.99 1x6a n THR 26 N 1.36 0.00 -1.05 3.16 -2.24 -1.26 -4.87 114.28 109.38 1x6a n THR 26 Ca -0.21 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1x6a n THR 26 Cb 0.54 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.71 2.84 3.78 3.38 0.00 -1.26 -5.10 105.19 109.55 1x6a n GLY 27 Ca 0.00 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 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 3.71 2.77 0.03 1.61 0.04 -1.26 -5.08 135.00 136.83 1x6a s PRO 28 Ca 0.00 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.12 1x6a s PRO 28 Cb 0.00 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1x6a s PRO 28 CO 0.00 -1.25 0.31 -0.59 0.04 0.00 0.00 177.00 175.51 1x6a s PHE 29 N -2.64 -0.13 0.07 0.56 -0.71 -1.26 -4.68 117.98 109.19 1x6a s PHE 29 Ca 0.63 0.05 -0.15 0.00 -1.04 0.00 0.00 56.93 56.42 1x6a s PHE 29 Cb -0.18 0.11 -0.06 0.00 -1.21 0.00 0.00 43.02 41.68 1x6a s PHE 29 CO 0.47 -0.49 0.48 1.41 -1.34 0.00 0.00 175.22 175.75 1x6a s MET 30 N -2.32 3.97 -0.19 1.99 -2.45 -1.26 -4.97 119.30 114.06 1x6a s MET 30 Ca -0.07 0.46 -0.08 0.00 -1.25 0.00 0.00 55.69 54.76 1x6a s MET 30 Cb -0.02 -3.10 -0.04 0.00 1.25 0.00 0.00 34.83 32.92 1x6a s MET 30 CO -0.02 0.59 0.08 0.08 1.05 0.00 0.00 175.02 176.80 1x6a s VAL 31 N -1.26 4.84 -0.14 10.11 1.01 -1.26 -4.18 120.40 129.53 1x6a s VAL 31 Ca 0.31 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 1x6a s VAL 31 Cb -0.16 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.15 1x6a s VAL 31 CO 0.17 0.44 1.05 0.00 0.00 0.00 0.00 175.10 176.76 1x6a s ALA 32 N 0.53 -1.95 -1.15 5.51 0.00 -1.26 -5.00 121.76 118.44 1x6a s ALA 32 Ca 0.04 1.46 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 1x6a s ALA 32 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1x6a s ALA 32 CO 0.01 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1x6a n GLY 33 N 0.27 -0.50 2.14 0.00 0.00 -1.26 -2.41 105.19 103.43 1x6a n GLY 33 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1x6a n GLY 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x6a n GLU 34 N -2.84 -1.38 -3.11 1.61 0.28 -1.26 -4.94 120.64 109.00 1x6a n GLU 34 Ca -0.16 0.85 -0.13 0.00 -0.16 0.00 0.00 57.16 57.56 1x6a n GLU 34 Cb 0.62 -5.15 -0.03 0.00 1.43 0.00 0.00 31.44 28.31 1x6a n GLU 34 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x6a n PHE 35 N -2.09 0.35 -4.58 -1.84 3.72 -1.01 -5.16 117.46 106.85 1x6a n PHE 35 Ca -0.15 -1.09 -0.24 0.00 -0.05 0.00 0.00 57.45 55.91 1x6a n PHE 35 Cb 0.49 -0.10 -0.17 0.00 -0.94 0.00 0.00 39.48 38.77 1x6a n PHE 35 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x6a s LYS 36 N -2.75 1.68 0.03 -1.08 -0.14 -1.26 -4.20 119.74 112.01 1x6a s LYS 36 Ca 0.03 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.23 1x6a s LYS 36 Cb 0.00 -1.39 -0.02 0.00 -1.68 0.00 0.00 37.83 34.74 1x6a s LYS 36 CO 0.02 0.03 -0.03 0.71 -0.76 0.00 0.00 175.35 175.32 1x6a s TYR 37 N 0.65 0.32 0.46 3.18 2.02 -1.26 -1.83 117.35 120.89 1x6a s TYR 37 Ca -0.14 -0.59 -0.24 0.00 -0.37 0.00 0.00 57.07 55.73 1x6a s TYR 37 Cb -0.16 -0.23 -0.07 0.00 -0.40 0.00 0.00 41.96 41.10 1x6a s TYR 37 CO 0.04 -0.20 1.30 -1.01 -1.57 0.00 0.00 175.55 174.11 1x6a s HIS 38 N -1.73 2.65 0.29 2.71 3.76 -1.26 -4.05 115.29 117.66 1x6a s HIS 38 Ca -0.13 1.41 -0.00 0.00 -0.15 0.00 0.00 55.06 56.19 1x6a s HIS 38 Cb -0.08 -3.67 0.44 0.00 1.11 0.00 0.00 32.58 30.38 1x6a s HIS 38 CO -0.02 -2.28 1.84 -1.00 -0.85 0.00 0.00 174.74 172.43 1x6a h PRO 39 N 2.18 0.78 0.00 8.40 0.13 -1.92 -2.04 132.00 139.53 1x6a h PRO 39 Ca -0.50 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1x6a h PRO 39 Cb 1.26 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1x6a h PRO 39 CO 0.60 0.71 0.00 0.39 -0.23 0.00 0.00 178.00 179.47 1x6a n GLU 40 N -4.28 0.68 -0.01 0.86 1.02 -1.26 -2.32 120.64 115.33 1x6a n GLU 40 Ca 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1x6a n GLU 40 Cb 0.22 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.49 2.70 0.10 0.00 5.36 -0.98 -4.94 117.98 119.73 1x6a s PHE 42 Ca 0.03 -0.64 -0.18 0.00 -0.96 0.00 0.00 56.93 55.17 1x6a s PHE 42 Cb 0.02 -4.34 0.04 0.00 -0.34 0.00 0.00 43.02 38.40 1x6a s PHE 42 CO 0.02 -1.68 0.45 0.00 -1.46 0.00 0.00 175.22 172.56 1x6a s ALA 43 N 4.05 -1.10 0.07 11.12 0.00 -1.26 -1.16 121.76 133.49 1x6a s ALA 43 Ca 0.26 0.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.10 1x6a s ALA 43 Cb -0.14 0.61 -0.09 0.00 0.00 0.00 0.00 23.12 23.50 1x6a s ALA 43 CO 0.07 -0.60 1.70 0.00 0.00 0.00 0.00 175.76 176.93 1x6a h MET 45 N 8.52 0.60 0.00 0.00 2.86 -1.85 0.21 114.93 125.27 1x6a h MET 45 Ca -0.43 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1x6a h MET 45 Cb 1.20 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1x6a h MET 45 CO 0.93 0.40 0.00 0.77 1.06 0.00 0.00 176.91 180.07 1x6a h SER 46 N 0.62 0.00 0.00 1.22 0.02 -1.90 -3.34 113.55 110.17 1x6a h SER 46 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1x6a h SER 46 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1x6a h SER 46 CO -0.17 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.52 1x6a n LYS 48 N -0.15 -1.33 -4.72 0.00 4.01 0.69 -4.97 118.16 111.69 1x6a n LYS 48 Ca 0.00 0.81 -0.30 0.00 -0.51 0.00 0.00 58.31 58.30 1x6a n LYS 48 Cb 0.04 -4.07 -0.17 0.00 -0.51 0.00 0.00 35.03 30.32 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 -3.22 1.80 0.03 -0.18 0.11 -1.26 -4.93 120.40 112.75 1x6a s VAL 49 Ca 0.23 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 58.14 1x6a s VAL 49 Cb -0.08 -1.60 -0.07 0.00 -1.53 0.00 0.00 36.38 33.10 1x6a s VAL 49 CO 0.84 0.50 1.58 -0.63 -3.33 0.00 0.00 175.10 174.06 1x6a s ILE 50 N 0.75 3.33 0.33 7.04 -1.09 -1.26 -2.80 121.20 127.50 1x6a s ILE 50 Ca -0.10 0.70 -0.19 0.00 -2.23 0.00 0.00 60.65 58.82 1x6a s ILE 50 Cb -0.16 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 37.18 1x6a s ILE 50 CO 0.01 -0.01 0.82 -0.63 -1.23 0.00 0.00 174.94 173.90 1x6a s ILE 51 N 2.83 4.51 0.40 2.92 1.01 -0.31 -4.98 121.20 127.58 1x6a s ILE 51 Ca 0.71 1.29 0.05 0.00 0.00 0.00 0.00 60.65 62.70 1x6a s ILE 51 Cb -0.36 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 1x6a s ILE 51 CO 0.30 -0.09 0.20 -1.61 0.00 0.00 0.00 174.94 173.74 1x6a s GLU 52 N -2.69 1.92 0.00 2.79 2.02 -1.26 -4.92 118.70 116.57 1x6a s GLU 52 Ca 0.53 -2.17 -0.02 0.00 0.02 0.00 0.00 54.97 53.34 1x6a s GLU 52 Cb -0.12 -0.23 -0.08 0.00 0.10 0.00 0.00 34.13 33.79 1x6a s GLU 52 CO 0.18 -0.59 2.09 -3.47 0.02 0.00 0.00 175.26 173.49 1x6a n ASP 53 N -1.53 4.10 -0.09 -0.19 2.03 -1.26 -2.80 116.55 116.80 1x6a n ASP 53 Ca -0.01 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.14 1x6a n ASP 53 Cb 0.64 -0.96 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 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 2.01 0.58 2.95 0.27 0.00 -1.26 -5.12 105.19 104.62 1x6a n GLY 54 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 1.22 0.38 1.61 -1.08 -1.12 -5.13 116.67 112.55 1x6a s ASP 55 Ca 0.00 -0.19 -0.28 0.00 -0.52 0.00 0.00 52.55 51.57 1x6a s ASP 55 Cb 0.00 -0.54 -0.10 0.00 -1.46 0.00 0.00 42.92 40.81 1x6a s ASP 55 CO 0.00 -0.01 1.41 0.00 0.52 0.00 0.00 175.17 177.09 1x6a s ALA 56 N 0.71 3.47 0.17 3.66 0.00 -1.26 -4.64 121.76 123.88 1x6a s ALA 56 Ca -0.11 1.43 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1x6a s ALA 56 Cb -0.14 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.38 1x6a s ALA 56 CO 0.01 -0.93 -0.03 1.52 0.00 0.00 0.00 175.76 176.33 1x6a s TYR 57 N -1.15 1.27 -0.09 0.00 1.13 -1.26 -0.67 117.35 116.57 1x6a s TYR 57 Ca 0.53 -0.93 -0.08 0.00 -1.41 0.00 0.00 57.07 55.18 1x6a s TYR 57 Cb -0.43 -0.71 0.03 0.00 -1.10 0.00 0.00 41.96 39.74 1x6a s TYR 57 CO 0.58 -0.10 0.25 0.00 -2.51 0.00 0.00 175.55 173.76 1x6a s ALA 58 N -3.53 -0.61 -0.24 9.51 0.00 -0.54 -4.52 121.76 121.82 1x6a s ALA 58 Ca 0.22 0.72 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 1x6a s ALA 58 Cb 0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1x6a s ALA 58 CO 0.03 -0.12 0.04 -1.17 0.00 0.00 0.00 175.76 174.54 1x6a s LEU 59 N 0.20 3.31 -0.27 0.00 1.98 -1.26 -1.59 118.68 121.05 1x6a s LEU 59 Ca -0.01 -0.29 -0.14 0.00 -2.89 0.00 0.00 54.13 50.81 1x6a s LEU 59 Cb -0.02 -1.87 -0.04 0.00 0.66 0.00 0.00 46.19 44.92 1x6a s LEU 59 CO -0.00 -0.04 0.31 -0.69 -1.89 0.00 0.00 176.35 174.04 1x6a s VAL 60 N 1.57 5.22 -1.46 1.68 1.01 -0.12 -4.55 120.40 123.75 1x6a s VAL 60 Ca 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 1x6a s VAL 60 Cb -0.15 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1x6a s VAL 60 CO 0.02 0.20 0.07 0.00 0.00 0.00 0.00 175.10 175.39 1x6a n GLN 61 N 5.16 -0.92 -4.21 2.72 1.13 -1.26 -0.98 117.38 119.02 1x6a n GLN 61 Ca -0.10 0.09 -0.33 0.00 -1.94 0.00 0.00 57.00 54.71 1x6a n GLN 61 Cb 0.51 -3.41 -0.05 0.00 0.11 0.00 0.00 30.24 27.40 1x6a n GLN 61 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1x6a n HIS 62 N -4.21 -1.53 0.00 1.08 8.25 -1.26 -4.78 115.22 112.77 1x6a n HIS 62 Ca -0.25 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1x6a n HIS 62 Cb 0.61 -2.99 0.00 0.00 1.12 0.00 0.00 29.99 28.73 1x6a n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x6a n ALA 63 N -4.38 1.17 -2.44 -1.41 0.00 -0.15 -5.14 120.51 108.16 1x6a n ALA 63 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 1x6a n ALA 63 Cb 0.58 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 1x6a n ALA 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x6a s THR 64 N -1.00 1.76 -0.26 0.00 2.01 -0.77 -4.97 115.64 112.41 1x6a s THR 64 Ca 0.00 -1.15 -0.06 0.00 0.31 0.00 0.00 61.69 60.79 1x6a s THR 64 Cb 0.00 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.00 1x6a s THR 64 CO 0.00 0.31 0.04 -0.22 -0.69 0.00 0.00 174.62 174.06 1x6a s LEU 65 N -1.00 3.42 0.36 4.42 2.96 -1.26 -0.95 118.68 126.64 1x6a s LEU 65 Ca 0.08 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 1x6a s LEU 65 Cb -0.09 -1.86 -0.06 0.00 0.50 0.00 0.00 46.19 44.68 1x6a s LEU 65 CO 0.01 -0.08 0.05 -0.31 -1.32 0.00 0.00 176.35 174.70 1x6a s TYR 66 N 1.54 2.12 0.34 5.38 2.02 -0.62 -2.42 117.35 125.70 1x6a s TYR 66 Ca 0.05 -0.89 -0.02 0.00 -0.37 0.00 0.00 57.07 55.84 1x6a s TYR 66 Cb -0.16 -1.44 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1x6a s TYR 66 CO 0.01 0.13 0.57 0.00 -1.57 0.00 0.00 175.55 174.69 1x6a h GLY 68 N 1.00 0.85 0.84 0.00 0.00 -1.13 -0.29 103.07 104.35 1x6a h GLY 68 Ca -0.49 -0.25 0.03 0.00 0.00 0.00 0.00 47.33 46.62 1x6a h GLY 68 CO 0.63 0.19 0.33 0.50 0.00 0.00 0.00 176.54 178.19 1x6a h LYS 69 N 0.66 0.63 -0.11 4.80 1.57 -1.95 0.09 116.57 122.27 1x6a h LYS 69 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1x6a h LYS 69 Cb 0.09 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1x6a h LYS 69 CO -0.13 0.42 0.03 0.00 -0.57 0.00 0.00 179.45 179.19 1x6a h HIS 71 N -0.03 0.00 0.02 0.00 -0.00 -0.70 0.11 115.15 114.55 1x6a h HIS 71 Ca 0.03 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.20 1x6a h HIS 71 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1x6a h HIS 71 CO 0.00 0.15 -0.96 -0.97 -0.00 0.00 0.00 177.93 176.16 1x6a h ASN 72 N 0.00 0.09 0.26 3.26 -1.24 -0.74 -3.34 115.58 113.87 1x6a h ASN 72 Ca -0.00 -0.08 -0.34 0.00 0.71 0.00 0.00 56.30 56.59 1x6a h ASN 72 Cb 0.29 -0.03 0.02 0.00 0.73 0.00 0.00 38.32 39.34 1x6a h ASN 72 CO 0.02 0.99 -1.58 -0.08 -1.29 0.00 0.00 177.43 175.49 1x6a h GLU 73 N 0.02 0.47 0.00 6.67 4.22 -0.05 -3.34 114.58 122.57 1x6a h GLU 73 Ca -0.03 -0.79 0.00 0.00 0.08 0.00 0.00 59.36 58.62 1x6a h GLU 73 Cb 1.66 0.30 0.00 0.00 0.50 0.00 0.00 28.75 31.21 1x6a h GLU 73 CO 0.13 1.38 0.00 -0.24 -2.18 0.00 0.00 179.01 178.10 1x6a h VAL 74 N 0.13 0.00 0.00 0.32 3.04 -0.93 -2.19 116.25 116.61 1x6a h VAL 74 Ca -0.29 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1x6a h VAL 74 Cb 2.13 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 32.20 1x6a h VAL 74 CO 0.23 0.00 0.00 -0.37 -1.01 0.00 0.00 177.57 176.42 1x6a h VAL 75 N 0.00 0.00 -0.00 1.51 -1.51 -1.69 0.17 116.25 114.73 1x6a h VAL 75 Ca 0.00 -0.11 -0.05 0.00 -1.23 0.00 0.00 66.70 65.31 1x6a h VAL 75 Cb 0.07 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 1x6a h VAL 75 CO 0.00 0.00 -0.25 -1.28 -1.23 0.00 0.00 177.57 174.81 1x6a h SER 76 N 0.00 0.00 -3.89 4.19 0.87 -1.67 -3.49 113.55 109.56 1x6a h SER 76 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x6a h SER 76 Cb 0.12 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1x6a h SER 76 CO 0.00 0.26 -0.75 0.61 -0.53 0.00 0.00 176.83 176.42 1x6a n GLY 77 N -0.80 -3.80 3.65 5.77 0.00 0.05 -4.83 105.19 105.23 1x6a n GLY 77 Ca -0.02 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 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 -5.07 4.23 0.00 1.61 0.04 -1.26 -4.91 135.00 129.63 1x6a s PRO 78 Ca 0.00 1.21 0.10 0.00 0.04 0.00 0.00 61.00 62.35 1x6a s PRO 78 Cb 0.00 -3.65 0.50 0.00 0.04 0.00 0.00 34.50 31.40 1x6a s PRO 78 CO 0.00 -0.61 1.17 0.43 0.04 0.00 0.00 177.00 178.03 1x6a n SER 79 N 6.24 0.00 -4.77 6.66 7.64 -1.26 -4.78 113.62 123.35 1x6a n SER 79 Ca 0.10 0.07 -0.39 0.00 1.01 0.00 0.00 58.87 59.66 1x6a n SER 79 Cb 0.47 -0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1x6a n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6a s SER 80 N -2.48 6.30 0.00 6.43 0.01 -1.26 -5.34 113.70 117.35 1x6a s SER 80 Ca 0.10 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.03 1x6a s SER 80 Cb 0.07 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1x6a s SER 80 CO 0.14 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.54