#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 0.76 0.07 1.61 1.04 -1.26 -5.15 113.70 110.76 1x6a s SER 2 Ca 0.00 -0.69 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 1x6a s SER 2 Cb 0.00 0.08 0.09 0.00 0.10 0.00 0.00 66.02 66.29 1x6a s SER 2 CO 0.00 -0.32 1.04 -0.55 0.98 0.00 0.00 173.24 174.39 1x6a s SER 3 N -2.02 -0.18 0.00 7.02 0.15 -1.26 -5.15 113.70 112.27 1x6a s SER 3 Ca -0.05 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1x6a s SER 3 Cb -0.05 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1x6a s SER 3 CO -0.02 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1x6a n GLY 4 N -0.42 1.31 3.01 9.45 0.00 -1.26 -5.18 105.19 112.11 1x6a n GLY 4 Ca -0.07 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1x6a n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6a s SER 5 N 0.00 0.80 0.00 1.61 0.01 -1.26 -5.17 113.70 109.69 1x6a s SER 5 Ca 0.00 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1x6a s SER 5 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 1x6a s SER 5 CO 0.00 -0.03 0.00 -1.20 0.41 0.00 0.00 173.24 172.42 1x6a n SER 6 N 2.34 0.00 0.00 2.44 7.64 -1.26 -5.11 113.62 119.68 1x6a n SER 6 Ca -0.17 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1x6a n SER 6 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1x6a n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6a n GLY 7 N 0.00 1.04 2.98 0.23 0.00 -1.26 -5.15 105.19 103.03 1x6a n GLY 7 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.10 0.43 0.28 1.61 2.36 -1.26 -4.96 119.74 118.09 1x6a s LYS 8 Ca 0.00 0.48 -0.30 0.00 -2.55 0.00 0.00 55.97 53.60 1x6a s LYS 8 Cb 0.00 -0.18 -0.10 0.00 -1.05 0.00 0.00 37.83 36.50 1x6a s LYS 8 CO 0.00 -0.81 1.44 -0.51 1.55 0.00 0.00 175.35 177.02 1x6a s ASP 9 N 2.62 6.62 -0.18 1.43 1.01 -1.26 -4.93 116.67 121.97 1x6a s ASP 9 Ca 0.13 2.73 -0.23 0.00 0.71 0.00 0.00 52.55 55.89 1x6a s ASP 9 Cb -0.14 -2.63 -0.21 0.00 1.01 0.00 0.00 42.92 40.95 1x6a s ASP 9 CO -0.23 -0.71 0.37 0.10 0.21 0.00 0.00 175.17 174.92 1x6a h TYR 10 N 4.61 0.03 -2.82 4.23 -0.00 -2.01 -3.47 116.97 117.54 1x6a h TYR 10 Ca -0.47 -0.02 -0.22 0.00 -0.00 0.00 0.00 58.73 58.01 1x6a h TYR 10 Cb 1.22 -0.00 0.10 0.00 -0.00 0.00 0.00 36.73 38.05 1x6a h TYR 10 CO 0.59 1.38 0.17 -2.67 -0.00 0.00 0.00 178.16 177.63 1x6a n TRP 11 N -4.43 -3.84 -2.87 0.10 4.27 -1.26 -4.79 117.44 104.62 1x6a n TRP 11 Ca -0.26 -0.59 -0.09 0.00 -3.89 0.00 0.00 57.50 52.67 1x6a n TRP 11 Cb 0.65 -0.56 0.01 0.00 -1.36 0.00 0.00 31.31 30.05 1x6a n TRP 11 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1x6a n GLY 12 N -0.14 -1.28 2.48 -1.67 0.00 -1.26 -5.02 105.19 98.29 1x6a n GLY 12 Ca 0.09 1.25 -0.28 0.00 0.00 0.00 0.00 46.02 47.07 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 -2.62 0.82 0.00 1.61 -0.14 -1.26 -4.86 119.74 113.30 1x6a s LYS 13 Ca 0.25 -1.76 0.00 0.00 -1.36 0.00 0.00 55.97 53.10 1x6a s LYS 13 Cb -0.07 -1.52 0.00 0.00 -1.68 0.00 0.00 37.83 34.56 1x6a s LYS 13 CO 0.77 -1.28 0.00 1.97 -0.76 0.00 0.00 175.35 176.06 1x6a n PHE 14 N 3.46 -0.03 -0.07 3.18 -1.74 -1.26 -5.12 117.46 115.90 1x6a n PHE 14 Ca 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.08 1x6a n PHE 14 Cb 0.41 0.46 0.00 0.00 1.52 0.00 0.00 39.48 41.87 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1x6a n GLY 15 N 1.63 -0.52 3.23 4.97 0.00 -1.26 -5.09 105.19 108.15 1x6a n GLY 15 Ca 0.00 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 1x6a n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6a s GLU 16 N 0.11 1.80 0.03 1.61 -1.05 -1.26 -5.09 118.70 114.84 1x6a s GLU 16 Ca 0.00 -0.76 0.05 0.00 -0.15 0.00 0.00 54.97 54.11 1x6a s GLU 16 Cb 0.00 -1.70 -0.02 0.00 -0.44 0.00 0.00 34.13 31.97 1x6a s GLU 16 CO 0.00 0.44 -0.16 -0.06 0.95 0.00 0.00 175.26 176.43 1x6a s PHE 17 N -0.44 1.42 -0.01 4.83 0.40 -1.26 -1.61 117.98 121.32 1x6a s PHE 17 Ca 0.07 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 55.76 1x6a s PHE 17 Cb -0.09 -0.86 -0.07 0.00 0.51 0.00 0.00 43.02 42.51 1x6a s PHE 17 CO -0.00 0.04 1.72 0.00 0.70 0.00 0.00 175.22 177.67 1x6a h HIS 19 N 9.49 -0.01 -0.07 0.00 2.76 -1.39 0.27 115.15 126.20 1x6a h HIS 19 Ca -0.42 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 57.78 1x6a h HIS 19 Cb 1.19 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.28 1x6a h HIS 19 CO 0.88 -0.26 -0.06 0.78 -1.30 0.00 0.00 177.93 177.96 1x6a h GLY 20 N 0.11 0.11 -0.01 5.26 0.00 -1.89 -3.29 103.07 103.36 1x6a h GLY 20 Ca 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1x6a h GLY 20 CO -0.70 0.05 -0.07 0.00 0.00 0.00 0.00 176.54 175.82 1x6a n SER 22 N -0.99 -1.50 -4.78 0.00 2.88 0.79 -4.90 113.62 105.12 1x6a n SER 22 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1x6a n SER 22 Cb 0.02 -2.26 -0.06 0.00 -0.75 0.00 0.00 64.21 61.17 1x6a n SER 22 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x6a s LEU 23 N 0.00 4.48 0.36 2.46 1.43 -1.26 -4.74 118.68 121.41 1x6a s LEU 23 Ca 0.00 1.70 -0.28 0.00 -1.03 0.00 0.00 54.13 54.52 1x6a s LEU 23 Cb 0.00 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.52 1x6a s LEU 23 CO 0.00 0.09 1.38 -0.22 0.23 0.00 0.00 176.35 177.84 1x6a s LEU 24 N -1.57 4.36 0.39 1.79 2.96 -1.26 -1.86 118.68 123.48 1x6a s LEU 24 Ca 0.42 2.84 0.08 0.00 -0.22 0.00 0.00 54.13 57.25 1x6a s LEU 24 Cb -0.21 -3.68 -0.06 0.00 0.50 0.00 0.00 46.19 42.74 1x6a s LEU 24 CO 0.25 -0.72 0.09 0.00 -1.32 0.00 0.00 176.35 174.66 1x6a s MET 25 N -1.97 2.13 0.00 1.98 0.23 -0.63 -4.90 119.30 116.14 1x6a s MET 25 Ca 0.51 -1.85 0.00 0.00 -1.03 0.00 0.00 55.69 53.32 1x6a s MET 25 Cb -0.43 -1.90 0.00 0.00 -1.53 0.00 0.00 34.83 30.97 1x6a s MET 25 CO 0.57 -0.01 0.00 0.25 -2.03 0.00 0.00 175.02 173.80 1x6a n THR 26 N -1.09 0.00 -0.19 3.16 -2.24 -1.26 -4.76 114.28 107.90 1x6a n THR 26 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1x6a n THR 26 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.76 0.60 3.74 3.38 0.00 -1.26 -5.04 105.19 107.36 1x6a n GLY 27 Ca 0.00 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 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 0.53 1.96 0.28 1.61 0.04 -1.26 -5.07 135.00 133.09 1x6a s PRO 28 Ca 0.00 1.29 -0.09 0.00 0.04 0.00 0.00 61.00 62.25 1x6a s PRO 28 Cb 0.00 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.68 1x6a s PRO 28 CO 0.00 -1.89 0.45 -0.59 0.04 0.00 0.00 177.00 175.02 1x6a s PHE 29 N -2.79 0.65 0.07 0.56 -0.12 -1.26 -4.32 117.98 110.76 1x6a s PHE 29 Ca 0.63 -0.97 0.09 0.00 -0.05 0.00 0.00 56.93 56.63 1x6a s PHE 29 Cb -0.19 0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 1x6a s PHE 29 CO 0.56 -1.03 -0.24 -1.64 -0.05 0.00 0.00 175.22 172.83 1x6a s MET 30 N -3.66 1.46 -0.07 1.99 -1.94 -1.17 -4.90 119.30 111.01 1x6a s MET 30 Ca 0.26 -1.10 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1x6a s MET 30 Cb 0.00 -1.69 0.02 0.00 2.01 0.00 0.00 34.83 35.16 1x6a s MET 30 CO 0.13 0.42 -0.11 0.08 -0.01 0.00 0.00 175.02 175.53 1x6a s VAL 31 N -0.91 1.05 -0.05 -6.03 1.01 -1.26 -3.11 120.40 111.09 1x6a s VAL 31 Ca 0.10 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 1x6a s VAL 31 Cb -0.10 -0.98 0.11 0.00 0.00 0.00 0.00 36.38 35.41 1x6a s VAL 31 CO 0.03 0.34 0.93 0.00 0.00 0.00 0.00 175.10 176.40 1x6a s ALA 32 N 0.83 -1.86 -1.20 5.51 0.00 -1.26 -4.99 121.76 118.79 1x6a s ALA 32 Ca -0.12 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1x6a s ALA 32 Cb -0.15 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1x6a s ALA 32 CO 0.02 -0.60 0.19 0.41 0.00 0.00 0.00 175.76 175.77 1x6a n GLY 33 N -0.03 -0.50 2.28 0.00 0.00 -1.26 -1.84 105.19 103.85 1x6a n GLY 33 Ca -0.09 0.04 -0.16 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 -3.17 -1.51 -2.82 1.61 0.28 -1.26 -4.97 120.64 108.80 1x6a n GLU 34 Ca -0.11 0.91 -0.12 0.00 -0.16 0.00 0.00 57.16 57.67 1x6a n GLU 34 Cb 0.60 -5.29 -0.02 0.00 1.43 0.00 0.00 31.44 28.16 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 -2.46 -0.17 -3.86 -1.84 3.72 -0.77 -5.17 117.46 106.91 1x6a n PHE 35 Ca -0.17 -0.98 -0.12 0.00 -0.05 0.00 0.00 57.45 56.13 1x6a n PHE 35 Cb 0.56 -0.15 -0.14 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.81 0.03 0.05 -1.08 1.02 -1.26 -4.11 119.74 111.58 1x6a s LYS 36 Ca 0.05 0.04 -0.09 0.00 0.02 0.00 0.00 55.97 56.00 1x6a s LYS 36 Cb -0.00 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1x6a s LYS 36 CO 0.03 -0.01 0.18 0.71 -0.92 0.00 0.00 175.35 175.34 1x6a s TYR 37 N 0.03 0.09 0.71 3.18 2.02 -1.18 -0.92 117.35 121.28 1x6a s TYR 37 Ca -0.00 -0.36 -0.15 0.00 -0.37 0.00 0.00 57.07 56.19 1x6a s TYR 37 Cb -0.00 -0.05 0.03 0.00 -0.40 0.00 0.00 41.96 41.53 1x6a s TYR 37 CO -0.00 -0.43 1.16 -1.01 -1.57 0.00 0.00 175.55 173.70 1x6a s HIS 38 N -2.76 2.27 -1.47 2.71 3.76 -1.26 -3.03 115.29 115.51 1x6a s HIS 38 Ca -0.04 1.59 0.09 0.00 -0.15 0.00 0.00 55.06 56.56 1x6a s HIS 38 Cb -0.00 -3.34 0.47 0.00 1.11 0.00 0.00 32.58 30.82 1x6a s HIS 38 CO -0.05 -2.23 1.16 -0.35 -0.85 0.00 0.00 174.74 172.42 1x6a n PRO 39 N -2.67 0.14 0.00 8.40 -0.04 -1.26 -1.26 135.00 138.31 1x6a n PRO 39 Ca 0.12 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.83 1x6a n PRO 39 Cb 0.51 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 1x6a n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x6a n GLU 40 N -1.26 1.38 -0.08 0.54 1.02 -1.26 -4.67 120.64 116.30 1x6a n GLU 40 Ca 0.05 -1.00 0.05 0.00 -0.02 0.00 0.00 57.16 56.23 1x6a n GLU 40 Cb 0.07 -1.21 0.07 0.00 -0.02 0.00 0.00 31.44 30.34 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 -1.76 3.57 0.10 0.00 5.36 -1.25 -4.84 117.98 119.17 1x6a s PHE 42 Ca 0.16 -2.05 0.00 0.00 -0.96 0.00 0.00 56.93 54.08 1x6a s PHE 42 Cb 0.14 -3.63 -0.04 0.00 -0.34 0.00 0.00 43.02 39.14 1x6a s PHE 42 CO 0.01 -0.96 -0.02 0.00 -1.46 0.00 0.00 175.22 172.79 1x6a s ALA 43 N 0.47 0.88 0.07 11.12 0.00 -1.26 -1.24 121.76 131.79 1x6a s ALA 43 Ca 0.14 -1.37 -0.31 0.00 0.00 0.00 0.00 51.96 50.42 1x6a s ALA 43 Cb -0.17 0.39 -0.08 0.00 0.00 0.00 0.00 23.12 23.25 1x6a s ALA 43 CO -0.05 -0.34 1.71 0.00 0.00 0.00 0.00 175.76 177.08 1x6a h MET 45 N 8.63 -0.60 0.00 0.00 2.86 -1.64 0.22 114.93 124.40 1x6a h MET 45 Ca -0.43 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1x6a h MET 45 Cb 1.20 0.14 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1x6a h MET 45 CO 0.94 -0.40 -0.00 0.66 1.06 0.00 0.00 176.91 179.17 1x6a h SER 46 N -0.62 -0.00 0.41 1.22 4.64 -1.91 -3.33 113.55 113.96 1x6a h SER 46 Ca 0.03 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1x6a h SER 46 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1x6a h SER 46 CO -0.40 0.14 -0.93 0.00 -0.87 0.00 0.00 176.83 174.77 1x6a n LYS 48 N -1.85 -0.87 -2.00 0.00 4.76 0.77 -4.97 118.16 114.01 1x6a n LYS 48 Ca 0.03 0.22 -0.41 0.00 -2.87 0.00 0.00 58.31 55.27 1x6a n LYS 48 Cb 0.41 -3.96 -0.02 0.00 -1.84 0.00 0.00 35.03 29.62 1x6a n LYS 48 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x6a s VAL 49 N -1.64 2.57 0.04 -0.18 0.11 -1.26 -4.72 120.40 115.32 1x6a s VAL 49 Ca 0.00 0.51 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 1x6a s VAL 49 Cb 0.00 -3.32 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 1x6a s VAL 49 CO 0.00 0.10 0.98 -0.63 -3.33 0.00 0.00 175.10 172.21 1x6a s ILE 50 N -0.39 4.72 -0.03 7.04 -1.09 -1.26 -2.11 121.20 128.08 1x6a s ILE 50 Ca 0.56 2.05 -0.12 0.00 -2.23 0.00 0.00 60.65 60.92 1x6a s ILE 50 Cb -0.42 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.09 1x6a s ILE 50 CO 0.48 0.22 0.33 -0.63 -1.23 0.00 0.00 174.94 174.11 1x6a s ILE 51 N 0.65 5.17 0.41 2.92 1.01 -0.38 -4.98 121.20 126.00 1x6a s ILE 51 Ca 0.50 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.85 1x6a s ILE 51 Cb -0.22 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1x6a s ILE 51 CO 0.29 0.56 0.23 -1.61 0.00 0.00 0.00 174.94 174.41 1x6a s GLU 52 N -1.15 2.31 -0.99 2.79 2.02 -1.26 -4.79 118.70 117.63 1x6a s GLU 52 Ca 0.22 -1.75 -0.24 0.00 0.02 0.00 0.00 54.97 53.23 1x6a s GLU 52 Cb -0.15 -2.10 -0.15 0.00 0.10 0.00 0.00 34.13 31.83 1x6a s GLU 52 CO 0.11 -0.12 1.94 -0.40 0.02 0.00 0.00 175.26 176.81 1x6a n ASP 53 N -1.31 2.47 0.00 -0.19 5.75 -1.26 -1.88 116.55 120.14 1x6a n ASP 53 Ca -0.00 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 1x6a n ASP 53 Cb 0.64 -1.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.21 1x6a n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x6a n GLY 54 N 5.54 0.96 3.72 6.12 0.00 -1.26 -5.13 105.19 115.14 1x6a n GLY 54 Ca 0.45 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 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 6.88 -0.49 1.61 2.15 -0.79 -4.90 116.67 121.13 1x6a s ASP 55 Ca 0.00 2.28 -0.29 0.00 0.43 0.00 0.00 52.55 54.98 1x6a s ASP 55 Cb 0.00 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 39.94 1x6a s ASP 55 CO 0.00 -0.60 2.39 0.00 -0.17 0.00 0.00 175.17 176.79 1x6a n ALA 56 N 3.74 0.94 -1.98 3.66 0.00 -1.26 -4.72 120.51 120.89 1x6a n ALA 56 Ca 0.10 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.75 1x6a n ALA 56 Cb 0.43 -2.92 0.03 0.00 0.00 0.00 0.00 19.45 16.99 1x6a n ALA 56 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1x6a s TYR 57 N 10.32 2.85 -0.04 0.00 -0.85 -1.26 -1.15 117.35 127.21 1x6a s TYR 57 Ca 1.06 -0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 57.48 1x6a s TYR 57 Cb -0.47 -2.69 0.01 0.00 0.38 0.00 0.00 41.96 39.20 1x6a s TYR 57 CO 0.35 -0.80 0.13 0.00 -1.52 0.00 0.00 175.55 173.71 1x6a s ALA 58 N -2.69 -0.32 0.21 9.51 0.00 0.01 -4.45 121.76 124.03 1x6a s ALA 58 Ca 0.57 0.28 0.09 0.00 0.00 0.00 0.00 51.96 52.91 1x6a s ALA 58 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1x6a s ALA 58 CO 0.37 -0.08 -0.09 -0.51 0.00 0.00 0.00 175.76 175.45 1x6a s LEU 59 N -0.16 2.97 0.25 0.00 1.43 -1.26 -1.28 118.68 120.64 1x6a s LEU 59 Ca -0.02 -0.64 0.11 0.00 -1.03 0.00 0.00 54.13 52.55 1x6a s LEU 59 Cb -0.02 -1.61 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 1x6a s LEU 59 CO 0.00 0.08 -0.14 -0.69 0.23 0.00 0.00 176.35 175.83 1x6a s VAL 60 N -1.91 2.83 -0.36 -1.59 1.01 -1.23 -4.97 120.40 114.19 1x6a s VAL 60 Ca 0.27 -2.12 0.21 0.00 0.00 0.00 0.00 61.98 60.33 1x6a s VAL 60 Cb -0.08 -2.47 0.21 0.00 0.00 0.00 0.00 36.38 34.04 1x6a s VAL 60 CO 0.16 -0.32 1.63 0.00 0.00 0.00 0.00 175.10 176.57 1x6a n GLN 61 N -0.50 0.14 -4.37 2.72 0.00 -1.26 -4.67 117.38 109.44 1x6a n GLN 61 Ca -0.07 0.55 -0.28 0.00 0.00 0.00 0.00 57.00 57.20 1x6a n GLN 61 Cb 0.59 -1.89 -0.07 0.00 0.00 0.00 0.00 30.24 28.87 1x6a n GLN 61 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1x6a s HIS 62 N -3.43 2.17 -1.07 2.61 3.76 -1.26 -5.04 115.29 113.03 1x6a s HIS 62 Ca -0.00 -0.77 -0.23 0.00 -0.15 0.00 0.00 55.06 53.91 1x6a s HIS 62 Cb 0.07 -1.81 -0.06 0.00 1.11 0.00 0.00 32.58 31.88 1x6a s HIS 62 CO 0.25 0.12 1.93 0.00 -0.85 0.00 0.00 174.74 176.18 1x6a s ALA 63 N -2.74 1.80 0.04 -1.40 0.00 -1.26 -4.84 121.76 113.36 1x6a s ALA 63 Ca 0.27 -1.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.08 1x6a s ALA 63 Cb 0.03 -4.62 0.06 0.00 0.00 0.00 0.00 23.12 18.59 1x6a s ALA 63 CO 0.15 -4.99 0.58 0.99 0.00 0.00 0.00 175.76 172.49 1x6a s THR 64 N 10.37 0.02 -0.03 0.00 2.01 -1.26 -5.10 115.64 121.64 1x6a s THR 64 Ca 0.68 -0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.53 1x6a s THR 64 Cb -0.03 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.52 1x6a s THR 64 CO 0.07 -0.07 0.07 -0.22 -0.69 0.00 0.00 174.62 173.78 1x6a s LEU 65 N -1.89 1.35 0.34 4.42 2.96 -1.26 -3.47 118.68 121.12 1x6a s LEU 65 Ca -0.06 0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1x6a s LEU 65 Cb -0.01 0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.82 1x6a s LEU 65 CO -0.01 -0.08 0.11 -0.31 -1.32 0.00 0.00 176.35 174.75 1x6a s TYR 66 N 0.56 1.76 0.19 5.38 2.02 -0.40 -1.55 117.35 125.30 1x6a s TYR 66 Ca -0.04 -1.20 -0.06 0.00 -0.37 0.00 0.00 57.07 55.39 1x6a s TYR 66 Cb -0.06 -1.09 -0.06 0.00 -0.40 0.00 0.00 41.96 40.35 1x6a s TYR 66 CO -0.02 -0.28 0.46 0.00 -1.57 0.00 0.00 175.55 174.14 1x6a h GLY 68 N 2.59 1.22 1.00 0.00 0.00 -1.35 0.23 103.07 106.76 1x6a h GLY 68 Ca -0.46 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1x6a h GLY 68 CO 0.71 0.32 0.40 0.50 0.00 0.00 0.00 176.54 178.47 1x6a h LYS 69 N 1.01 0.97 0.00 4.80 1.79 -1.95 -3.23 116.57 119.96 1x6a h LYS 69 Ca 0.35 -0.10 -0.32 0.00 -2.18 0.00 0.00 60.65 58.40 1x6a h LYS 69 Cb 0.12 -0.20 -0.06 0.00 -1.58 0.00 0.00 32.23 30.51 1x6a h LYS 69 CO -0.12 0.71 -1.94 0.00 -1.08 0.00 0.00 179.45 177.02 1x6a n HIS 71 N -2.95 0.67 -0.27 0.00 -0.00 0.77 -2.09 115.22 111.36 1x6a n HIS 71 Ca -0.22 0.31 0.23 0.00 -0.00 0.00 0.00 57.72 58.04 1x6a n HIS 71 Cb 1.09 -0.99 0.56 0.00 -0.00 0.00 0.00 29.99 30.64 1x6a n HIS 71 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 1x6a h ASN 72 N 0.00 0.33 0.45 0.26 -0.73 -1.70 0.31 115.58 114.51 1x6a h ASN 72 Ca 0.00 0.05 -0.16 0.00 1.87 0.00 0.00 56.30 58.05 1x6a h ASN 72 Cb 0.16 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1x6a h ASN 72 CO 0.00 0.10 -0.70 1.05 -0.37 0.00 0.00 177.43 177.51 1x6a h GLU 73 N 0.31 0.22 0.00 6.67 4.11 -1.70 -0.79 114.58 123.40 1x6a h GLU 73 Ca 0.52 -0.18 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1x6a h GLU 73 Cb 1.47 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1x6a h GLU 73 CO -0.19 0.83 0.00 0.28 0.07 0.00 0.00 179.01 180.01 1x6a h VAL 74 N 0.15 0.00 0.00 -1.06 2.07 -1.13 -3.32 116.25 112.95 1x6a h VAL 74 Ca -0.02 -0.73 -0.29 0.00 0.82 0.00 0.00 66.70 66.48 1x6a h VAL 74 Cb 1.25 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.69 1x6a h VAL 74 CO 0.11 0.00 -2.10 1.33 0.02 0.00 0.00 177.57 176.93 1x6a n VAL 75 N -3.00 1.11 -1.02 2.57 0.24 -1.08 -5.02 118.33 112.13 1x6a n VAL 75 Ca 0.03 -0.47 -0.06 0.00 -2.04 0.00 0.00 64.34 61.79 1x6a n VAL 75 Cb 0.42 -1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 31.69 1x6a n VAL 75 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1x6a n SER 76 N -2.97 -4.42 0.00 -1.34 7.64 -0.31 -4.92 113.62 107.30 1x6a n SER 76 Ca -0.33 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1x6a n SER 76 Cb 0.89 -3.16 0.00 0.00 -1.01 0.00 0.00 64.21 60.94 1x6a n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6a n GLY 77 N 0.37 -1.12 0.40 0.23 0.00 -1.26 -0.57 105.19 103.23 1x6a n GLY 77 Ca -0.06 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1x6a n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6a n PRO 78 N -1.81 1.32 -3.43 1.61 -0.04 -1.26 -4.88 135.00 126.51 1x6a n PRO 78 Ca 0.00 -0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 62.91 1x6a n PRO 78 Cb 0.00 -1.32 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 1x6a n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6a s SER 79 N -0.56 4.95 0.00 3.54 0.15 0.26 -5.11 113.70 116.93 1x6a s SER 79 Ca 0.06 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.75 1x6a s SER 79 Cb 0.04 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1x6a s SER 79 CO 0.03 -1.12 0.00 -1.54 1.20 0.00 0.00 173.24 171.81 1x6a n SER 80 N -1.94 0.00 0.00 5.45 3.41 -1.26 -5.07 113.62 114.20 1x6a n SER 80 Ca 0.07 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1x6a n SER 80 Cb 0.62 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49