#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6a s SER 2 N 0.00 -0.38 -0.07 1.61 0.01 -1.26 -5.18 113.70 108.42 1x6a s SER 2 Ca 0.00 0.34 -0.32 0.00 1.31 0.00 0.00 55.95 57.28 1x6a s SER 2 Cb 0.00 0.40 0.13 0.00 0.21 0.00 0.00 66.02 66.76 1x6a s SER 2 CO 0.00 -0.51 1.25 -0.44 0.41 0.00 0.00 173.24 173.94 1x6a s SER 3 N -1.28 -0.09 0.78 2.44 0.01 -1.26 -5.18 113.70 109.13 1x6a s SER 3 Ca -0.13 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1x6a s SER 3 Cb -0.03 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1x6a s SER 3 CO 0.07 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1x6a n GLY 4 N -0.35 -1.23 0.00 3.44 0.00 -1.26 -5.08 105.19 100.72 1x6a n GLY 4 Ca -0.05 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1x6a n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6a n SER 5 N -3.14 0.00 -3.67 1.61 3.41 -1.26 -5.21 113.62 105.37 1x6a n SER 5 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1x6a n SER 5 Cb 0.17 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1x6a n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x6a s SER 6 N 0.00 -0.35 0.00 4.04 0.01 -1.26 -5.17 113.70 110.97 1x6a s SER 6 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1x6a s SER 6 Cb 0.00 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1x6a s SER 6 CO 0.00 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.19 1x6a n GLY 7 N -0.41 2.72 0.00 3.44 0.00 -1.26 -5.20 105.19 104.49 1x6a n GLY 7 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1x6a n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x6a n LYS 8 N 0.00 0.00 -2.97 1.61 4.76 -1.26 -5.15 118.16 115.15 1x6a n LYS 8 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 1x6a n LYS 8 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1x6a n LYS 8 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x6a s ASP 9 N -0.10 7.04 0.00 4.39 1.01 -1.26 -4.94 116.67 122.81 1x6a s ASP 9 Ca 0.00 1.55 0.00 0.00 0.71 0.00 0.00 52.55 54.81 1x6a s ASP 9 Cb 0.00 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1x6a s ASP 9 CO 0.00 -0.13 0.00 -1.22 0.21 0.00 0.00 175.17 174.03 1x6a n TYR 10 N 0.16 0.00 -2.05 4.23 4.02 -1.26 -5.11 117.16 117.15 1x6a n TYR 10 Ca 0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.62 1x6a n TYR 10 Cb 0.52 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 40.00 1x6a n TYR 10 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1x6a s TRP 11 N -1.04 1.81 0.00 -0.72 0.52 -1.26 -4.94 118.94 113.32 1x6a s TRP 11 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 56.10 56.39 1x6a s TRP 11 Cb 0.00 -3.82 0.00 0.00 -1.15 0.00 0.00 33.47 28.50 1x6a s TRP 11 CO 0.00 -2.34 0.00 0.41 0.02 0.00 0.00 176.95 175.04 1x6a n GLY 12 N -3.52 0.77 3.28 0.98 0.00 -1.26 -5.16 105.19 100.28 1x6a n GLY 12 Ca 0.14 -0.71 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.39 1.12 -0.64 1.61 3.01 -1.26 -5.09 119.74 117.10 1x6a s LYS 13 Ca 0.00 -1.29 0.05 0.00 -1.01 0.00 0.00 55.97 53.72 1x6a s LYS 13 Cb 0.00 -1.10 0.30 0.00 -1.01 0.00 0.00 37.83 36.01 1x6a s LYS 13 CO 0.00 0.22 0.91 1.19 0.51 0.00 0.00 175.35 178.18 1x6a n PHE 14 N 0.51 3.76 -3.64 3.18 3.72 -1.26 -5.01 117.46 118.72 1x6a n PHE 14 Ca -0.15 -3.97 -0.10 0.00 -0.05 0.00 0.00 57.45 53.18 1x6a n PHE 14 Cb 0.57 -0.58 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1x6a n PHE 14 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x6a s GLY 15 N -2.87 -0.31 0.06 1.37 0.00 -1.26 -5.16 107.32 99.15 1x6a s GLY 15 Ca 0.44 0.05 -0.07 0.00 0.00 0.00 0.00 44.72 45.13 1x6a s GLY 15 CO -0.07 -0.05 0.34 -0.54 0.00 0.00 0.00 173.10 172.78 1x6a s GLU 16 N -3.83 3.66 0.12 2.90 0.41 -1.26 -5.11 118.70 115.59 1x6a s GLU 16 Ca 0.06 0.02 0.06 0.00 -0.41 0.00 0.00 54.97 54.70 1x6a s GLU 16 Cb -0.02 -3.00 -0.04 0.00 -1.78 0.00 0.00 34.13 29.29 1x6a s GLU 16 CO -0.05 0.58 -0.15 -0.06 -0.49 0.00 0.00 175.26 175.09 1x6a s PHE 17 N -1.41 1.47 -0.03 1.61 0.40 -1.26 -4.29 117.98 114.47 1x6a s PHE 17 Ca 0.32 -0.53 -0.30 0.00 -0.60 0.00 0.00 56.93 55.83 1x6a s PHE 17 Cb -0.13 -0.77 -0.06 0.00 0.51 0.00 0.00 43.02 42.57 1x6a s PHE 17 CO 0.19 0.17 1.60 0.00 0.70 0.00 0.00 175.22 177.88 1x6a h HIS 19 N 9.06 0.00 0.13 0.00 -0.00 -1.63 0.24 115.15 122.95 1x6a h HIS 19 Ca -0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.97 1x6a h HIS 19 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.59 1x6a h HIS 19 CO 0.85 0.00 -0.06 0.78 -0.00 0.00 0.00 177.93 179.50 1x6a h GLY 20 N 0.00 -0.18 2.00 2.45 0.00 -1.90 -3.35 103.07 102.09 1x6a h GLY 20 Ca 0.07 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1x6a h GLY 20 CO -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1x6a n SER 22 N -1.76 -4.88 -4.65 0.00 7.64 0.83 -5.00 113.62 105.81 1x6a n SER 22 Ca 0.06 0.37 -0.27 0.00 1.01 0.00 0.00 58.87 60.04 1x6a n SER 22 Cb 0.34 -3.77 -0.08 0.00 -1.01 0.00 0.00 64.21 59.69 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 -3.61 3.27 0.94 -3.43 1.43 -1.24 -4.85 118.68 111.19 1x6a s LEU 23 Ca 0.00 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1x6a s LEU 23 Cb 0.00 -1.95 0.16 0.00 0.03 0.00 0.00 46.19 44.43 1x6a s LEU 23 CO 0.00 0.11 1.11 -0.22 0.23 0.00 0.00 176.35 177.58 1x6a s LEU 24 N -2.77 1.88 0.05 1.79 2.96 -1.26 -0.85 118.68 120.48 1x6a s LEU 24 Ca 0.26 1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 55.26 1x6a s LEU 24 Cb -0.10 -3.41 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1x6a s LEU 24 CO 0.18 -2.78 0.04 0.00 -1.32 0.00 0.00 176.35 172.47 1x6a s MET 25 N -5.11 0.60 0.00 1.98 0.23 -1.26 -4.82 119.30 110.92 1x6a s MET 25 Ca 0.64 -0.95 0.00 0.00 -1.03 0.00 0.00 55.69 54.35 1x6a s MET 25 Cb -0.17 0.22 0.00 0.00 -1.53 0.00 0.00 34.83 33.36 1x6a s MET 25 CO 0.55 -0.14 0.47 0.25 -2.03 0.00 0.00 175.02 174.13 1x6a n THR 26 N 0.50 0.13 -3.52 3.16 -2.24 -1.26 -5.00 114.28 106.06 1x6a n THR 26 Ca -0.17 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1x6a n THR 26 Cb 0.60 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.07 5.09 3.82 3.38 0.00 -1.26 -5.15 105.19 111.00 1x6a n GLY 27 Ca 0.00 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.83 1.53 0.23 1.61 0.04 -1.26 -5.10 135.00 131.21 1x6a s PRO 28 Ca 0.00 0.31 -0.11 0.00 0.04 0.00 0.00 61.00 61.24 1x6a s PRO 28 Cb 0.00 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1x6a s PRO 28 CO 0.00 -1.94 0.41 -0.59 0.04 0.00 0.00 177.00 174.92 1x6a s PHE 29 N -3.33 0.45 0.30 0.56 -0.71 -1.26 -4.66 117.98 109.34 1x6a s PHE 29 Ca 0.63 -0.80 0.11 0.00 -1.04 0.00 0.00 56.93 55.83 1x6a s PHE 29 Cb -0.14 0.06 -0.05 0.00 -1.21 0.00 0.00 43.02 41.68 1x6a s PHE 29 CO 0.52 -0.91 -0.16 -1.64 -1.34 0.00 0.00 175.22 171.70 1x6a s MET 30 N -4.02 1.70 -0.15 1.99 -1.94 -1.26 -5.05 119.30 110.56 1x6a s MET 30 Ca 0.23 -1.81 -0.02 0.00 -1.71 0.00 0.00 55.69 52.38 1x6a s MET 30 Cb 0.01 -1.68 -0.02 0.00 2.01 0.00 0.00 34.83 35.15 1x6a s MET 30 CO 0.08 0.25 -0.08 0.08 -0.01 0.00 0.00 175.02 175.34 1x6a s VAL 31 N -2.59 3.51 -0.14 -6.03 1.01 -1.26 -4.40 120.40 110.49 1x6a s VAL 31 Ca 0.30 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1x6a s VAL 31 Cb -0.02 -2.52 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1x6a s VAL 31 CO 0.15 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.87 1x6a s ALA 32 N 0.40 0.20 -1.90 5.51 0.00 -1.24 -4.85 121.76 119.89 1x6a s ALA 32 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1x6a s ALA 32 Cb -0.15 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1x6a s ALA 32 CO 0.04 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1x6a n GLY 33 N 5.30 0.48 3.14 0.00 0.00 -1.26 -1.65 105.19 111.19 1x6a n GLY 33 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.74 0.00 -2.38 1.61 1.02 -1.26 -5.02 120.64 111.87 1x6a n GLU 34 Ca -0.23 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.66 1x6a n GLU 34 Cb 0.68 -2.71 0.05 0.00 -0.02 0.00 0.00 31.44 29.43 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 -3.54 3.03 -0.07 -0.32 0.08 -0.66 -5.10 117.98 111.40 1x6a s PHE 35 Ca 0.00 0.42 0.05 0.00 0.12 0.00 0.00 56.93 57.52 1x6a s PHE 35 Cb 0.00 -2.92 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 1x6a s PHE 35 CO 0.00 -1.07 -0.24 0.15 -0.10 0.00 0.00 175.22 173.96 1x6a s LYS 36 N -5.04 2.66 0.04 0.44 3.01 -1.26 -3.61 119.74 115.97 1x6a s LYS 36 Ca 0.57 -0.86 -0.09 0.00 -1.01 0.00 0.00 55.97 54.57 1x6a s LYS 36 Cb -0.11 -2.15 0.00 0.00 -1.01 0.00 0.00 37.83 34.57 1x6a s LYS 36 CO 0.43 0.29 0.20 0.71 0.51 0.00 0.00 175.35 177.49 1x6a s TYR 37 N 0.06 0.05 0.37 3.18 2.02 -1.26 -1.58 117.35 120.19 1x6a s TYR 37 Ca -0.10 -0.28 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 1x6a s TYR 37 Cb -0.15 -0.03 -0.10 0.00 -0.40 0.00 0.00 41.96 41.28 1x6a s TYR 37 CO 0.06 -0.44 0.87 -1.01 -1.57 0.00 0.00 175.55 173.46 1x6a s HIS 38 N -2.62 3.41 0.11 2.71 3.76 -1.26 -4.27 115.29 117.14 1x6a s HIS 38 Ca -0.05 1.51 -0.21 0.00 -0.15 0.00 0.00 55.06 56.17 1x6a s HIS 38 Cb -0.01 -2.75 -0.09 0.00 1.11 0.00 0.00 32.58 30.84 1x6a s HIS 38 CO -0.04 0.03 1.76 -1.00 -0.85 0.00 0.00 174.74 174.64 1x6a h PRO 39 N 2.31 0.16 0.00 8.40 0.13 -1.96 -2.48 132.00 138.56 1x6a h PRO 39 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1x6a h PRO 39 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1x6a h PRO 39 CO 0.63 0.11 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 1x6a n GLU 40 N -5.01 0.14 0.00 0.86 0.28 -1.26 -1.38 120.64 114.27 1x6a n GLU 40 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1x6a n GLU 40 Cb 0.04 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1x6a n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x6a s PHE 42 N -0.30 2.46 0.11 0.00 5.36 -0.48 -4.92 117.98 120.21 1x6a s PHE 42 Ca 0.00 -0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 55.24 1x6a s PHE 42 Cb 0.00 -4.62 -0.03 0.00 -0.34 0.00 0.00 43.02 38.02 1x6a s PHE 42 CO 0.00 -1.90 0.07 0.00 -1.46 0.00 0.00 175.22 171.93 1x6a s ALA 43 N 5.57 0.62 -0.00 11.12 0.00 -1.26 -1.53 121.76 136.27 1x6a s ALA 43 Ca 0.49 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1x6a s ALA 43 Cb -0.01 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.77 1x6a s ALA 43 CO -0.08 -0.48 1.47 0.00 0.00 0.00 0.00 175.76 176.67 1x6a h MET 45 N 8.15 -0.18 0.00 0.00 4.05 -1.69 0.25 114.93 125.51 1x6a h MET 45 Ca -0.38 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 1x6a h MET 45 Cb 1.18 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1x6a h MET 45 CO 0.92 -0.12 0.00 0.43 0.23 0.00 0.00 176.91 178.37 1x6a n SER 46 N -5.43 0.51 0.00 1.39 7.64 -1.26 -4.13 113.62 112.35 1x6a n SER 46 Ca 0.03 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1x6a n SER 46 Cb 0.35 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1x6a n SER 46 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x6a n LYS 48 N -0.41 -1.08 -2.21 0.00 4.01 0.77 -4.93 118.16 114.31 1x6a n LYS 48 Ca 0.00 0.25 -0.41 0.00 -0.51 0.00 0.00 58.31 57.64 1x6a n LYS 48 Cb 0.01 -4.53 -0.03 0.00 -0.51 0.00 0.00 35.03 29.97 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 -0.92 2.93 -0.19 -0.18 0.11 -1.26 -4.74 120.40 116.16 1x6a s VAL 49 Ca 0.00 0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 59.69 1x6a s VAL 49 Cb 0.00 -3.59 -0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1x6a s VAL 49 CO 0.00 0.22 1.13 -0.63 -3.33 0.00 0.00 175.10 172.49 1x6a s ILE 50 N -1.08 4.51 0.61 7.04 -1.09 -1.26 -3.34 121.20 126.60 1x6a s ILE 50 Ca 0.48 1.83 -0.07 0.00 -2.23 0.00 0.00 60.65 60.66 1x6a s ILE 50 Cb -0.38 -4.18 0.01 0.00 -1.58 0.00 0.00 42.46 36.33 1x6a s ILE 50 CO 0.49 -0.14 0.94 -0.63 -1.23 0.00 0.00 174.94 174.37 1x6a s ILE 51 N 3.17 3.68 0.25 2.92 1.01 -0.58 -5.01 121.20 126.63 1x6a s ILE 51 Ca 0.49 0.13 0.03 0.00 0.00 0.00 0.00 60.65 61.30 1x6a s ILE 51 Cb -0.18 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1x6a s ILE 51 CO 0.11 -0.53 0.03 -1.61 0.00 0.00 0.00 174.94 172.94 1x6a s GLU 52 N -5.07 1.38 -1.54 2.79 2.02 -1.26 -4.91 118.70 112.11 1x6a s GLU 52 Ca 0.55 -1.72 -0.11 0.00 0.02 0.00 0.00 54.97 53.70 1x6a s GLU 52 Cb -0.11 -0.52 -0.02 0.00 0.10 0.00 0.00 34.13 33.58 1x6a s GLU 52 CO 0.47 -0.17 2.64 -3.47 0.02 0.00 0.00 175.26 174.75 1x6a n ASP 53 N -0.45 6.84 -0.21 -0.19 2.03 -1.26 -2.66 116.55 120.65 1x6a n ASP 53 Ca -0.03 -2.71 -0.00 0.00 0.52 0.00 0.00 54.79 52.56 1x6a n ASP 53 Cb 0.65 -1.58 -0.00 0.00 -0.72 0.00 0.00 41.12 39.46 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 3.65 -0.18 3.12 0.27 0.00 -1.26 -5.14 105.19 105.66 1x6a n GLY 54 Ca 0.67 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 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 -0.01 -0.31 0.05 1.61 -1.08 -1.09 -5.14 116.67 110.71 1x6a s ASP 55 Ca 0.00 0.59 -0.30 0.00 -0.52 0.00 0.00 52.55 52.32 1x6a s ASP 55 Cb 0.00 0.51 -0.09 0.00 -1.46 0.00 0.00 42.92 41.88 1x6a s ASP 55 CO 0.00 -0.15 1.90 0.00 0.52 0.00 0.00 175.17 177.44 1x6a s ALA 56 N 0.95 3.63 0.45 3.66 0.00 -1.26 -4.76 121.76 124.42 1x6a s ALA 56 Ca -0.07 1.33 0.05 0.00 0.00 0.00 0.00 51.96 53.27 1x6a s ALA 56 Cb -0.08 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 1x6a s ALA 56 CO -0.07 -1.46 0.07 1.52 0.00 0.00 0.00 175.76 175.83 1x6a s TYR 57 N 3.94 2.30 -0.15 0.00 -0.85 -1.26 -1.48 117.35 119.85 1x6a s TYR 57 Ca 0.85 -0.74 -0.04 0.00 -0.52 0.00 0.00 57.07 56.62 1x6a s TYR 57 Cb -0.43 -1.79 0.06 0.00 0.38 0.00 0.00 41.96 40.19 1x6a s TYR 57 CO 0.39 0.27 0.11 0.00 -1.52 0.00 0.00 175.55 174.80 1x6a s ALA 58 N -2.73 0.22 0.43 9.51 0.00 -0.09 -4.67 121.76 124.43 1x6a s ALA 58 Ca 0.28 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.97 1x6a s ALA 58 Cb 0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 23.12 22.06 1x6a s ALA 58 CO 0.15 -1.03 0.96 -1.17 0.00 0.00 0.00 175.76 174.67 1x6a s LEU 59 N 2.19 3.96 0.04 0.00 2.96 -1.26 -1.58 118.68 125.00 1x6a s LEU 59 Ca 0.03 1.72 -0.02 0.00 -0.22 0.00 0.00 54.13 55.64 1x6a s LEU 59 Cb -0.15 -4.50 -0.03 0.00 0.50 0.00 0.00 46.19 42.01 1x6a s LEU 59 CO -0.08 -0.37 0.01 -0.69 -1.32 0.00 0.00 176.35 173.90 1x6a s VAL 60 N -2.13 0.17 1.36 1.68 1.01 -1.00 -4.95 120.40 116.55 1x6a s VAL 60 Ca 0.61 -1.43 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 1x6a s VAL 60 Cb -0.10 -1.11 0.35 0.00 0.00 0.00 0.00 36.38 35.51 1x6a s VAL 60 CO 0.14 -0.79 0.96 0.00 0.00 0.00 0.00 175.10 175.41 1x6a s GLN 61 N -3.13 -2.47 -1.74 2.72 -2.07 -1.26 -3.04 119.66 108.66 1x6a s GLN 61 Ca -0.00 0.24 0.00 0.00 -1.82 0.00 0.00 55.36 53.78 1x6a s GLN 61 Cb 0.02 -1.42 0.00 0.00 -1.09 0.00 0.00 33.01 30.52 1x6a s GLN 61 CO -0.07 -4.60 0.00 0.72 -1.32 0.00 0.00 175.29 170.02 1x6a n HIS 62 N -5.45 -0.13 -2.08 9.60 8.25 -1.26 -1.67 115.22 122.47 1x6a n HIS 62 Ca 0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.40 1x6a n HIS 62 Cb 0.59 -3.02 -0.02 0.00 1.12 0.00 0.00 29.99 28.65 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 1.03 -0.42 -2.11 -1.41 0.00 -1.25 -5.02 120.51 111.33 1x6a n ALA 63 Ca -0.16 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1x6a n ALA 63 Cb 0.58 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.76 4.77 -0.12 0.00 2.01 -0.67 -4.99 115.64 113.87 1x6a s THR 64 Ca 0.00 0.64 -0.13 0.00 0.31 0.00 0.00 61.69 62.51 1x6a s THR 64 Cb 0.00 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.76 1x6a s THR 64 CO 0.00 -0.72 0.37 -0.22 -0.69 0.00 0.00 174.62 173.36 1x6a s LEU 65 N -4.31 0.59 0.20 4.42 2.96 -1.26 -2.37 118.68 118.91 1x6a s LEU 65 Ca 0.52 0.67 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 1x6a s LEU 65 Cb -0.10 1.30 -0.05 0.00 0.50 0.00 0.00 46.19 47.83 1x6a s LEU 65 CO 0.38 -0.18 0.03 -0.31 -1.32 0.00 0.00 176.35 174.95 1x6a s TYR 66 N -0.02 1.30 0.41 5.38 2.02 -0.61 -1.63 117.35 124.21 1x6a s TYR 66 Ca -0.02 -1.06 -0.01 0.00 -0.37 0.00 0.00 57.07 55.61 1x6a s TYR 66 Cb -0.03 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1x6a s TYR 66 CO 0.01 -0.24 0.64 0.00 -1.57 0.00 0.00 175.55 174.39 1x6a h GLY 68 N 0.51 0.66 0.71 0.00 0.00 -1.53 0.16 103.07 103.57 1x6a h GLY 68 Ca -0.48 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1x6a h GLY 68 CO 0.60 -0.17 -0.34 0.50 0.00 0.00 0.00 176.54 177.12 1x6a h LYS 69 N 0.15 -0.92 -0.67 4.80 6.56 -1.95 -1.93 116.57 122.60 1x6a h LYS 69 Ca 0.31 0.06 0.10 0.00 -1.06 0.00 0.00 60.65 60.06 1x6a h LYS 69 Cb 0.49 0.21 -0.07 0.00 -0.57 0.00 0.00 32.23 32.29 1x6a h LYS 69 CO -0.48 -0.62 0.29 0.00 -2.06 0.00 0.00 179.45 176.58 1x6a h HIS 71 N 0.50 0.45 0.00 0.00 6.17 -0.73 -2.31 115.15 119.22 1x6a h HIS 71 Ca 0.34 -0.05 -0.00 0.00 0.71 0.00 0.00 60.37 61.36 1x6a h HIS 71 Cb 0.40 -0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.20 1x6a h HIS 71 CO -0.14 0.51 -0.01 -0.97 0.71 0.00 0.00 177.93 178.03 1x6a h ASN 72 N 0.26 0.00 0.20 3.26 -1.24 -0.78 -2.16 115.58 115.12 1x6a h ASN 72 Ca 0.08 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1x6a h ASN 72 Cb 0.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1x6a h ASN 72 CO 0.00 0.01 -0.10 -0.08 -1.29 0.00 0.00 177.43 175.97 1x6a h GLU 73 N 0.00 -0.26 -0.97 6.67 4.22 -0.78 -3.15 114.58 120.31 1x6a h GLU 73 Ca -0.00 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1x6a h GLU 73 Cb 0.03 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1x6a h GLU 73 CO 0.00 -0.04 0.62 -0.24 -2.18 0.00 0.00 179.01 177.17 1x6a h VAL 74 N -1.03 1.26 0.00 0.32 3.04 -1.22 -2.06 116.25 116.56 1x6a h VAL 74 Ca -0.03 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1x6a h VAL 74 Cb 0.34 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 1x6a h VAL 74 CO 0.05 0.26 0.00 1.33 -1.01 0.00 0.00 177.57 178.19 1x6a n VAL 75 N -4.38 0.74 -0.46 1.51 0.24 -0.84 -4.83 118.33 110.32 1x6a n VAL 75 Ca 0.11 0.13 -0.29 0.00 -2.04 0.00 0.00 64.34 62.26 1x6a n VAL 75 Cb 0.03 -0.94 0.27 0.00 -1.47 0.00 0.00 33.84 31.73 1x6a n VAL 75 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x6a s SER 76 N -3.72 0.24 -0.32 -1.34 0.15 -0.77 -4.84 113.70 103.11 1x6a s SER 76 Ca 0.07 1.35 -0.38 0.00 0.70 0.00 0.00 55.95 57.69 1x6a s SER 76 Cb 0.11 -2.06 -0.13 0.00 -1.71 0.00 0.00 66.02 62.23 1x6a s SER 76 CO 0.40 -4.63 2.02 0.61 1.20 0.00 0.00 173.24 172.84 1x6a n GLY 77 N 1.09 0.63 0.34 9.45 0.00 -1.26 -4.83 105.19 110.61 1x6a n GLY 77 Ca 0.05 0.95 0.20 0.00 0.00 0.00 0.00 46.02 47.21 1x6a n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6a h PRO 78 N 10.20 0.00 -0.01 1.61 0.13 -1.88 -3.46 132.00 138.60 1x6a h PRO 78 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1x6a h PRO 78 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1x6a h PRO 78 CO 1.00 0.00 -0.00 0.45 -0.23 0.00 0.00 178.00 179.22 1x6a n SER 79 N -3.12 -3.19 -3.48 1.44 2.88 -1.26 -4.96 113.62 101.92 1x6a n SER 79 Ca -0.02 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.12 1x6a n SER 79 Cb 0.20 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 62.93 1x6a n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x6a n SER 80 N 0.16 6.72 0.00 -3.46 3.41 -1.26 -5.34 113.62 113.85 1x6a n SER 80 Ca -0.00 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 1x6a n SER 80 Cb 0.03 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49