#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 -1.76 -3.71 1.61 2.88 -1.26 -5.18 113.62 106.19 1x6a n SER 2 Ca 0.00 -2.14 -0.12 0.00 -1.33 0.00 0.00 58.87 55.28 1x6a n SER 2 Cb 0.00 2.92 -0.13 0.00 -0.75 0.00 0.00 64.21 66.25 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 -2.81 -0.24 -0.30 -3.46 0.15 -1.26 -5.12 113.70 100.66 1x6a s SER 3 Ca 0.15 0.62 -0.14 0.00 0.70 0.00 0.00 55.95 57.28 1x6a s SER 3 Cb -0.04 0.54 0.18 0.00 -1.71 0.00 0.00 66.02 64.99 1x6a s SER 3 CO 0.08 -0.18 1.10 -0.83 1.20 0.00 0.00 173.24 174.61 1x6a s GLY 4 N 1.47 -0.64 -0.05 9.45 0.00 -1.26 -5.16 107.32 111.13 1x6a s GLY 4 Ca -0.08 2.49 -0.04 0.00 0.00 0.00 0.00 44.72 47.09 1x6a s GLY 4 CO -0.09 4.04 0.12 -0.45 0.00 0.00 0.00 173.10 176.72 1x6a s SER 5 N 2.97 -0.12 0.21 1.64 0.15 -1.26 -5.17 113.70 112.11 1x6a s SER 5 Ca 0.15 0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.83 1x6a s SER 5 Cb -0.04 0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.54 1x6a s SER 5 CO -0.17 -0.06 0.64 -0.94 1.20 0.00 0.00 173.24 173.90 1x6a s SER 6 N 0.30 -0.43 0.18 5.45 1.04 -1.26 -5.18 113.70 113.79 1x6a s SER 6 Ca -0.02 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.18 1x6a s SER 6 Cb -0.03 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.72 1x6a s SER 6 CO -0.01 -1.11 0.19 0.61 0.98 0.00 0.00 173.24 173.89 1x6a n GLY 7 N -0.41 3.16 3.63 7.32 0.00 -1.26 -5.18 105.19 112.45 1x6a n GLY 7 Ca -0.12 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 -2.61 0.83 0.56 1.61 2.47 -1.26 -5.19 119.74 116.14 1x6a s LYS 8 Ca 0.19 1.01 0.09 0.00 -1.56 0.00 0.00 55.97 55.70 1x6a s LYS 8 Cb 0.01 0.39 0.07 0.00 -1.46 0.00 0.00 37.83 36.84 1x6a s LYS 8 CO 0.14 -0.10 0.71 0.34 0.16 0.00 0.00 175.35 176.59 1x6a s ASP 9 N 0.46 5.06 0.10 1.43 2.15 -1.26 -5.15 116.67 119.45 1x6a s ASP 9 Ca -0.01 -0.89 -0.04 0.00 0.43 0.00 0.00 52.55 52.05 1x6a s ASP 9 Cb -0.05 0.25 0.01 0.00 -0.30 0.00 0.00 42.92 42.83 1x6a s ASP 9 CO -0.00 -1.26 0.20 0.00 -0.17 0.00 0.00 175.17 173.94 1x6a n TYR 10 N -2.13 -1.30 -4.04 -5.34 9.36 -1.26 -5.21 117.16 107.25 1x6a n TYR 10 Ca 0.12 -0.49 -0.09 0.00 3.32 0.00 0.00 57.90 60.76 1x6a n TYR 10 Cb 0.62 0.23 -0.09 0.00 -0.63 0.00 0.00 39.34 39.47 1x6a n TYR 10 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1x6a s TRP 11 N -6.98 0.54 -5.00 2.98 0.52 -1.26 -5.16 118.94 104.58 1x6a s TRP 11 Ca 0.04 -0.97 0.00 0.00 0.02 0.00 0.00 56.10 55.20 1x6a s TRP 11 Cb -0.01 -0.29 0.00 0.00 -1.15 0.00 0.00 33.47 32.02 1x6a s TRP 11 CO 0.03 -0.53 0.00 0.41 0.02 0.00 0.00 176.95 176.88 1x6a n GLY 12 N -0.06 -0.60 3.67 0.98 0.00 -1.26 -5.11 105.19 102.81 1x6a n GLY 12 Ca -0.10 -1.36 -0.46 0.00 0.00 0.00 0.00 46.02 44.10 1x6a n GLY 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x6a n LYS 13 N 0.00 2.11 0.23 1.61 3.00 -1.26 -4.92 118.16 118.93 1x6a n LYS 13 Ca 0.00 0.76 -0.15 0.00 -0.00 0.00 0.00 58.31 58.91 1x6a n LYS 13 Cb 0.00 -2.50 -0.08 0.00 0.00 0.00 0.00 35.03 32.45 1x6a n LYS 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1x6a h PHE 14 N 5.55 -0.51 -0.84 5.64 -0.00 -2.02 -3.48 116.94 121.29 1x6a h PHE 14 Ca -0.45 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.51 1x6a h PHE 14 Cb 1.26 0.17 0.00 0.00 -0.00 0.00 0.00 35.95 37.38 1x6a h PHE 14 CO 0.61 -0.28 0.00 0.41 -0.00 0.00 0.00 178.31 179.05 1x6a n GLY 15 N -1.16 -0.29 3.15 6.09 0.00 -1.26 -4.65 105.19 107.07 1x6a n GLY 15 Ca -0.11 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 2.34 0.05 1.61 8.01 -1.26 -5.05 118.70 124.41 1x6a s GLU 16 Ca 0.00 -1.33 -0.31 0.00 0.01 0.00 0.00 54.97 53.34 1x6a s GLU 16 Cb 0.00 -3.16 -0.06 0.00 -4.31 0.00 0.00 34.13 26.60 1x6a s GLU 16 CO 0.00 -0.65 1.26 -0.06 0.01 0.00 0.00 175.26 175.82 1x6a s PHE 17 N 1.21 3.31 -0.20 1.61 0.08 -1.26 -3.10 117.98 119.62 1x6a s PHE 17 Ca -0.05 1.17 -0.29 0.00 0.12 0.00 0.00 56.93 57.88 1x6a s PHE 17 Cb -0.20 -3.50 -0.03 0.00 -0.57 0.00 0.00 43.02 38.71 1x6a s PHE 17 CO -0.02 -1.64 1.71 0.00 -0.10 0.00 0.00 175.22 175.16 1x6a h HIS 19 N 11.18 0.00 0.00 0.00 2.76 -1.89 0.29 115.15 127.49 1x6a h HIS 19 Ca -0.36 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.69 1x6a h HIS 19 Cb 1.17 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1x6a h HIS 19 CO 0.92 0.00 -0.57 0.78 -1.30 0.00 0.00 177.93 177.76 1x6a h GLY 20 N 0.00 0.00 0.00 5.26 0.00 -1.89 -3.40 103.07 103.05 1x6a h GLY 20 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 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 -3.12 -3.96 0.00 2.88 0.85 -4.98 113.62 105.28 1x6a n SER 22 Ca 0.00 -0.68 -0.09 0.00 -1.33 0.00 0.00 58.87 56.77 1x6a n SER 22 Cb 0.19 -4.94 -0.10 0.00 -0.75 0.00 0.00 64.21 58.61 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 -6.18 1.97 -0.09 2.46 1.43 -1.26 -4.92 118.68 112.09 1x6a s LEU 23 Ca 0.13 -0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 1x6a s LEU 23 Cb -0.02 0.47 -0.03 0.00 0.03 0.00 0.00 46.19 46.64 1x6a s LEU 23 CO 0.75 -0.50 1.30 -0.22 0.23 0.00 0.00 176.35 177.91 1x6a s LEU 24 N -2.16 4.25 0.40 1.79 2.96 -1.26 -1.06 118.68 123.60 1x6a s LEU 24 Ca -0.05 1.85 -0.15 0.00 -0.22 0.00 0.00 54.13 55.57 1x6a s LEU 24 Cb -0.01 -3.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.05 1x6a s LEU 24 CO -0.05 -0.71 0.83 0.00 -1.32 0.00 0.00 176.35 175.10 1x6a s MET 25 N 2.93 3.94 0.00 1.98 0.23 -1.18 -4.97 119.30 122.24 1x6a s MET 25 Ca 0.58 0.72 0.00 0.00 -1.03 0.00 0.00 55.69 55.96 1x6a s MET 25 Cb -0.25 -2.32 0.00 0.00 -1.53 0.00 0.00 34.83 30.72 1x6a s MET 25 CO 0.20 -0.02 0.00 0.25 -2.03 0.00 0.00 175.02 173.42 1x6a n THR 26 N -0.97 0.00 -1.97 3.16 -2.24 -1.26 -4.71 114.28 106.28 1x6a n THR 26 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1x6a n THR 26 Cb 0.54 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.22 4.65 3.58 3.38 0.00 -1.26 -5.13 105.19 110.63 1x6a n GLY 27 Ca 0.00 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 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 2.32 -0.33 0.23 1.61 0.04 -1.26 -5.08 135.00 132.53 1x6a s PRO 28 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.72 1x6a s PRO 28 Cb 0.00 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 1x6a s PRO 28 CO 0.00 -3.28 0.18 -0.59 0.04 0.00 0.00 177.00 173.35 1x6a s PHE 29 N -2.70 1.27 0.18 0.56 -0.12 -1.26 -4.78 117.98 111.12 1x6a s PHE 29 Ca 0.67 -1.42 0.04 0.00 -0.05 0.00 0.00 56.93 56.17 1x6a s PHE 29 Cb -0.22 -0.56 -0.05 0.00 -0.63 0.00 0.00 43.02 41.56 1x6a s PHE 29 CO 0.61 -0.72 -0.05 -1.64 -0.05 0.00 0.00 175.22 173.37 1x6a s MET 30 N -3.97 1.17 0.00 1.99 -1.94 -1.12 -4.93 119.30 110.51 1x6a s MET 30 Ca 0.39 -1.55 0.02 0.00 -1.71 0.00 0.00 55.69 52.84 1x6a s MET 30 Cb 0.06 -0.58 -0.01 0.00 2.01 0.00 0.00 34.83 36.30 1x6a s MET 30 CO 0.16 -0.01 -0.08 0.08 -0.01 0.00 0.00 175.02 175.16 1x6a s VAL 31 N -3.40 0.60 -0.17 -6.03 1.01 -1.26 -2.81 120.40 108.34 1x6a s VAL 31 Ca 0.22 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 1x6a s VAL 31 Cb 0.04 -0.53 0.07 0.00 0.00 0.00 0.00 36.38 35.96 1x6a s VAL 31 CO 0.04 0.07 0.38 0.00 0.00 0.00 0.00 175.10 175.59 1x6a s ALA 32 N -0.39 -0.98 -1.65 5.51 0.00 -0.68 -4.92 121.76 118.65 1x6a s ALA 32 Ca 0.01 1.38 -0.02 0.00 0.00 0.00 0.00 51.96 53.33 1x6a s ALA 32 Cb -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.99 1x6a s ALA 32 CO -0.00 -0.54 0.27 0.41 0.00 0.00 0.00 175.76 175.90 1x6a n GLY 33 N 4.93 -0.51 2.62 0.00 0.00 -1.26 -1.34 105.19 109.63 1x6a n GLY 33 Ca -0.14 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.46 -0.37 -4.13 1.61 -0.58 -1.26 -5.02 120.64 107.43 1x6a n GLU 34 Ca -0.18 0.09 -0.23 0.00 -0.42 0.00 0.00 57.16 56.42 1x6a n GLU 34 Cb 0.65 -3.38 -0.05 0.00 -0.57 0.00 0.00 31.44 28.09 1x6a n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x6a s PHE 35 N -2.21 3.06 -0.23 -0.32 0.08 -0.45 -5.12 117.98 112.79 1x6a s PHE 35 Ca 0.00 -0.11 -0.07 0.00 0.12 0.00 0.00 56.93 56.87 1x6a s PHE 35 Cb 0.00 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 41.03 1x6a s PHE 35 CO 0.00 0.53 0.07 0.15 -0.10 0.00 0.00 175.22 175.87 1x6a s LYS 36 N -3.70 3.73 0.05 0.44 -0.14 -1.26 -1.69 119.74 117.18 1x6a s LYS 36 Ca 0.32 -0.45 0.04 0.00 -1.36 0.00 0.00 55.97 54.52 1x6a s LYS 36 Cb -0.08 -3.29 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 1x6a s LYS 36 CO 0.24 -0.07 -0.11 0.71 -0.76 0.00 0.00 175.35 175.36 1x6a s TYR 37 N 1.30 0.94 0.56 3.18 2.02 -1.12 -3.14 117.35 121.08 1x6a s TYR 37 Ca 0.05 -0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 56.13 1x6a s TYR 37 Cb -0.15 -0.54 -0.06 0.00 -0.40 0.00 0.00 41.96 40.81 1x6a s TYR 37 CO 0.03 -0.01 1.01 -1.01 -1.57 0.00 0.00 175.55 174.00 1x6a s HIS 38 N -1.28 3.34 0.13 2.71 3.76 -1.26 -2.80 115.29 119.89 1x6a s HIS 38 Ca -0.06 1.45 -0.19 0.00 -0.15 0.00 0.00 55.06 56.12 1x6a s HIS 38 Cb -0.10 -2.84 -0.05 0.00 1.11 0.00 0.00 32.58 30.70 1x6a s HIS 38 CO 0.01 -0.65 1.78 -1.00 -0.85 0.00 0.00 174.74 174.03 1x6a h PRO 39 N 0.54 0.28 0.00 8.40 0.13 -1.91 -2.67 132.00 136.77 1x6a h PRO 39 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1x6a h PRO 39 Cb 1.20 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1x6a h PRO 39 CO 0.60 0.19 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 1x6a n GLU 40 N -4.95 0.07 0.00 0.86 -0.00 -1.26 -0.94 120.64 114.42 1x6a n GLU 40 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.14 1x6a n GLU 40 Cb 0.04 -1.28 0.00 0.00 -0.00 0.00 0.00 31.44 30.20 1x6a n GLU 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x6a s PHE 42 N -0.04 2.96 0.03 0.00 2.19 -0.12 -4.91 117.98 118.10 1x6a s PHE 42 Ca 0.00 -1.47 -0.01 0.00 0.33 0.00 0.00 56.93 55.78 1x6a s PHE 42 Cb 0.00 -4.52 -0.03 0.00 -1.31 0.00 0.00 43.02 37.16 1x6a s PHE 42 CO 0.00 -1.67 -0.02 0.00 1.83 0.00 0.00 175.22 175.36 1x6a s ALA 43 N 3.43 0.24 0.06 11.12 0.00 -1.26 -0.25 121.76 135.10 1x6a s ALA 43 Ca 0.44 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 1x6a s ALA 43 Cb -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 1x6a s ALA 43 CO -0.03 -0.25 1.73 0.00 0.00 0.00 0.00 175.76 177.20 1x6a h MET 45 N 8.83 0.07 0.00 0.00 2.86 -1.91 0.20 114.93 124.97 1x6a h MET 45 Ca -0.44 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.18 1x6a h MET 45 Cb 1.21 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1x6a h MET 45 CO 0.94 0.04 -0.07 0.77 1.06 0.00 0.00 176.91 179.65 1x6a h SER 46 N 0.07 0.00 0.00 1.22 0.02 -1.90 -3.30 113.55 109.66 1x6a h SER 46 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 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 -0.21 0.07 -0.07 0.00 -1.14 0.00 0.00 176.83 175.48 1x6a n LYS 48 N -0.72 -1.30 -4.92 0.00 4.76 0.66 -4.99 118.16 111.65 1x6a n LYS 48 Ca 0.00 0.70 -0.28 0.00 -2.87 0.00 0.00 58.31 55.86 1x6a n LYS 48 Cb 0.00 -4.11 -0.16 0.00 -1.84 0.00 0.00 35.03 28.91 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 -3.30 1.57 0.25 -0.18 0.11 -1.26 -4.95 120.40 112.65 1x6a s VAL 49 Ca 0.31 -0.77 -0.30 0.00 -2.93 0.00 0.00 61.98 58.29 1x6a s VAL 49 Cb -0.11 -1.36 -0.10 0.00 -1.53 0.00 0.00 36.38 33.29 1x6a s VAL 49 CO 0.85 0.45 1.40 -0.63 -3.33 0.00 0.00 175.10 173.84 1x6a s ILE 50 N 0.17 2.77 -0.59 7.04 -1.09 -1.26 -1.84 121.20 126.39 1x6a s ILE 50 Ca -0.08 0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 58.96 1x6a s ILE 50 Cb -0.14 -3.42 0.15 0.00 -1.58 0.00 0.00 42.46 37.48 1x6a s ILE 50 CO 0.04 0.11 0.41 -0.63 -1.23 0.00 0.00 174.94 173.64 1x6a s ILE 51 N -0.11 3.77 1.09 2.92 1.01 0.66 -4.90 121.20 125.64 1x6a s ILE 51 Ca 0.58 -2.70 -0.16 0.00 0.00 0.00 0.00 60.65 58.36 1x6a s ILE 51 Cb -0.41 -3.47 0.24 0.00 0.01 0.00 0.00 42.46 38.83 1x6a s ILE 51 CO 0.43 -0.85 1.12 -1.61 0.00 0.00 0.00 174.94 174.04 1x6a s GLU 52 N 0.25 -0.34 0.13 2.79 2.02 -1.26 -4.73 118.70 117.56 1x6a s GLU 52 Ca 0.15 0.11 0.09 0.00 0.02 0.00 0.00 54.97 55.34 1x6a s GLU 52 Cb -0.20 -1.68 0.47 0.00 0.10 0.00 0.00 34.13 32.81 1x6a s GLU 52 CO -0.04 -3.16 1.24 -3.47 0.02 0.00 0.00 175.26 169.85 1x6a n ASP 53 N -4.41 0.22 -0.08 -0.19 2.03 -1.26 -1.12 116.55 111.75 1x6a n ASP 53 Ca 0.10 0.58 0.08 0.00 0.52 0.00 0.00 54.79 56.08 1x6a n ASP 53 Cb 0.59 -0.61 -0.08 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.40 -0.48 3.86 0.27 0.00 -1.26 -4.99 105.19 101.20 1x6a n GLY 54 Ca -0.01 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.49 6.68 -1.10 1.61 2.15 -0.27 -5.00 116.67 118.25 1x6a s ASP 55 Ca 0.08 1.13 -0.21 0.00 0.43 0.00 0.00 52.55 53.98 1x6a s ASP 55 Cb 0.13 -2.31 0.06 0.00 -0.30 0.00 0.00 42.92 40.50 1x6a s ASP 55 CO 0.65 -0.20 1.52 0.00 -0.17 0.00 0.00 175.17 176.96 1x6a s ALA 56 N -2.01 2.93 0.86 3.66 0.00 -1.26 -4.86 121.76 121.08 1x6a s ALA 56 Ca 0.51 -2.49 -0.12 0.00 0.00 0.00 0.00 51.96 49.87 1x6a s ALA 56 Cb -0.10 -4.53 0.11 0.00 0.00 0.00 0.00 23.12 18.59 1x6a s ALA 56 CO 0.21 -3.49 1.14 1.52 0.00 0.00 0.00 175.76 175.15 1x6a s TYR 57 N 4.60 2.72 0.03 0.00 -0.85 -1.26 -0.49 117.35 122.10 1x6a s TYR 57 Ca 0.48 0.87 -0.09 0.00 -0.52 0.00 0.00 57.07 57.80 1x6a s TYR 57 Cb 0.01 -3.37 0.00 0.00 0.38 0.00 0.00 41.96 38.98 1x6a s TYR 57 CO -0.05 -2.06 0.19 0.00 -1.52 0.00 0.00 175.55 172.11 1x6a s ALA 58 N -3.35 -0.39 -0.06 9.51 0.00 0.15 -4.56 121.76 123.07 1x6a s ALA 58 Ca 0.63 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1x6a s ALA 58 Cb -0.13 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1x6a s ALA 58 CO 0.52 -0.31 -0.05 -0.51 0.00 0.00 0.00 175.76 175.41 1x6a s LEU 59 N -1.84 1.23 0.33 0.00 1.43 -1.26 -1.21 118.68 117.36 1x6a s LEU 59 Ca -0.08 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1x6a s LEU 59 Cb -0.03 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1x6a s LEU 59 CO -0.02 -0.07 0.55 -0.69 0.23 0.00 0.00 176.35 176.35 1x6a s VAL 60 N 1.14 5.09 0.35 -1.59 1.01 -1.09 -4.97 120.40 120.33 1x6a s VAL 60 Ca -0.07 -0.33 0.30 0.00 0.00 0.00 0.00 61.98 61.88 1x6a s VAL 60 Cb -0.14 -3.83 0.30 0.00 0.00 0.00 0.00 36.38 32.71 1x6a s VAL 60 CO -0.01 -0.50 1.90 0.06 0.00 0.00 0.00 175.10 176.55 1x6a h GLN 61 N 1.01 0.00 0.00 2.72 3.07 -2.01 -3.42 115.11 116.47 1x6a h GLN 61 Ca -0.49 0.00 -0.45 0.00 0.09 0.00 0.00 58.65 57.80 1x6a h GLN 61 Cb 1.21 0.00 0.11 0.00 0.08 0.00 0.00 27.48 28.88 1x6a h GLN 61 CO 0.63 0.00 0.21 0.72 0.09 0.00 0.00 178.83 180.48 1x6a n HIS 62 N -2.65 -3.27 -0.97 0.06 8.25 -1.26 -4.97 115.22 110.41 1x6a n HIS 62 Ca -0.02 -1.57 -0.11 0.00 -0.26 0.00 0.00 57.72 55.76 1x6a n HIS 62 Cb 0.19 -0.82 -0.15 0.00 1.12 0.00 0.00 29.99 30.33 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 -3.20 6.19 -3.03 -1.41 0.00 -1.26 -4.81 120.51 112.98 1x6a n ALA 63 Ca -0.18 -1.71 -0.12 0.00 0.00 0.00 0.00 53.44 51.43 1x6a n ALA 63 Cb 0.58 -2.21 -0.12 0.00 0.00 0.00 0.00 19.45 17.71 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 0.85 0.03 0.04 0.00 2.01 -1.26 -5.13 115.64 112.18 1x6a s THR 64 Ca 0.61 -0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.42 1x6a s THR 64 Cb 0.30 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.52 1x6a s THR 64 CO -0.00 -0.15 -0.24 -1.48 -0.69 0.00 0.00 174.62 172.05 1x6a s LEU 65 N -0.48 2.16 0.36 4.42 0.05 -1.26 -2.66 118.68 121.27 1x6a s LEU 65 Ca -0.06 -0.56 0.04 0.00 0.05 0.00 0.00 54.13 53.60 1x6a s LEU 65 Cb -0.04 -1.18 -0.03 0.00 -2.05 0.00 0.00 46.19 42.89 1x6a s LEU 65 CO 0.00 0.23 0.14 -0.31 -0.55 0.00 0.00 176.35 175.86 1x6a s TYR 66 N -0.79 1.74 0.39 3.48 2.02 -0.35 -3.35 117.35 120.49 1x6a s TYR 66 Ca 0.10 -1.31 0.00 0.00 -0.37 0.00 0.00 57.07 55.50 1x6a s TYR 66 Cb -0.10 -1.04 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 1x6a s TYR 66 CO 0.02 -0.38 0.60 0.00 -1.57 0.00 0.00 175.55 174.22 1x6a h GLY 68 N 0.62 0.88 1.70 0.00 0.00 -1.02 0.65 103.07 105.89 1x6a h GLY 68 Ca -0.48 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1x6a h GLY 68 CO 0.60 0.15 0.13 0.50 0.00 0.00 0.00 176.54 177.92 1x6a h LYS 69 N 0.63 0.39 0.15 4.80 1.57 -1.95 -0.79 116.57 121.38 1x6a h LYS 69 Ca 0.27 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.78 1x6a h LYS 69 Cb 0.14 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.40 1x6a h LYS 69 CO -0.16 0.32 -1.00 0.00 -0.57 0.00 0.00 179.45 178.03 1x6a h HIS 71 N -0.15 0.96 0.00 0.00 -0.00 -0.57 -2.53 115.15 112.86 1x6a h HIS 71 Ca -0.17 -0.16 -0.00 0.00 -0.00 0.00 0.00 60.37 60.04 1x6a h HIS 71 Cb 1.77 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 28.93 1x6a h HIS 71 CO 0.17 0.90 -0.00 -0.91 -0.00 0.00 0.00 177.93 178.08 1x6a h ASN 72 N 0.75 0.00 0.10 3.26 2.35 -1.30 -2.41 115.58 118.34 1x6a h ASN 72 Ca 0.14 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.63 1x6a h ASN 72 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 1x6a h ASN 72 CO 0.02 0.00 -1.34 -0.08 -1.65 0.00 0.00 177.43 174.39 1x6a h GLU 73 N 0.00 0.22 -0.44 0.81 4.81 -1.53 -3.35 114.58 115.10 1x6a h GLU 73 Ca -0.00 -0.37 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 1x6a h GLU 73 Cb 0.02 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1x6a h GLU 73 CO 0.00 1.18 -0.08 -0.39 -0.73 0.00 0.00 179.01 178.99 1x6a h VAL 74 N -0.38 1.25 0.00 0.32 -1.51 -1.11 -2.60 116.25 112.22 1x6a h VAL 74 Ca -0.29 -1.12 -0.01 0.00 -1.23 0.00 0.00 66.70 64.05 1x6a h VAL 74 Cb 1.70 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1x6a h VAL 74 CO 0.04 0.38 -0.04 1.62 -1.23 0.00 0.00 177.57 178.34 1x6a h VAL 75 N 0.71 0.41 0.00 7.19 3.04 -1.63 -1.48 116.25 124.48 1x6a h VAL 75 Ca 0.13 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 1x6a h VAL 75 Cb 0.55 1.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1x6a h VAL 75 CO 0.03 0.04 0.00 -0.24 -1.01 0.00 0.00 177.57 176.39 1x6a n SER 76 N -3.59 0.00 -0.87 3.17 2.88 -0.98 -4.95 113.62 109.29 1x6a n SER 76 Ca -0.02 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1x6a n SER 76 Cb 0.14 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1x6a n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6a n GLY 77 N 0.40 0.00 0.27 0.46 0.00 -0.56 -4.84 105.19 100.93 1x6a n GLY 77 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 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 0.01 0.11 0.00 1.61 0.13 -1.88 -3.44 132.00 128.54 1x6a h PRO 78 Ca 0.00 -0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 1x6a h PRO 78 Cb 0.00 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 31.01 1x6a h PRO 78 CO 0.00 0.07 -0.38 -1.13 -0.23 0.00 0.00 178.00 176.34 1x6a n SER 79 N -4.53 2.96 0.33 1.44 3.41 -1.26 -5.03 113.62 110.94 1x6a n SER 79 Ca -0.02 -2.75 0.21 0.00 -0.26 0.00 0.00 58.87 56.05 1x6a n SER 79 Cb 0.09 0.32 1.10 0.00 -0.26 0.00 0.00 64.21 65.46 1x6a n SER 79 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1x6a h SER 80 N 0.99 0.00 0.00 4.04 0.87 -2.02 -3.53 113.55 113.89 1x6a h SER 80 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1x6a h SER 80 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1x6a h SER 80 CO 0.54 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.45