#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 -0.16 -0.05 1.61 1.04 -1.26 -5.16 113.70 109.71 1x6a s SER 2 Ca 0.00 0.19 -0.31 0.00 0.48 0.00 0.00 55.95 56.31 1x6a s SER 2 Cb 0.00 0.37 0.11 0.00 0.10 0.00 0.00 66.02 66.61 1x6a s SER 2 CO 0.00 -0.28 1.12 -0.94 0.98 0.00 0.00 173.24 174.13 1x6a s SER 3 N -0.73 -0.17 0.00 7.02 1.04 -1.26 -5.20 113.70 114.41 1x6a s SER 3 Ca -0.08 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.25 1x6a s SER 3 Cb -0.04 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1x6a s SER 3 CO 0.02 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1x6a n GLY 4 N -0.29 1.77 2.23 7.32 0.00 -1.26 -5.20 105.19 109.77 1x6a n GLY 4 Ca -0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 1x6a n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6a n SER 5 N 0.00 -1.05 0.00 1.61 2.88 -1.26 -5.14 113.62 110.66 1x6a n SER 5 Ca 0.00 -2.16 0.00 0.00 -1.33 0.00 0.00 58.87 55.38 1x6a n SER 5 Cb 0.00 1.87 0.00 0.00 -0.75 0.00 0.00 64.21 65.33 1x6a n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x6a n SER 6 N -1.67 0.00 -3.62 -3.46 2.88 -1.26 -5.18 113.62 101.31 1x6a n SER 6 Ca -0.01 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.48 1x6a n SER 6 Cb 0.38 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.80 1x6a n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6a s GLY 7 N -0.27 -0.08 0.14 0.46 0.00 -1.26 -5.19 107.32 101.11 1x6a s GLY 7 Ca 0.00 2.38 -0.25 0.00 0.00 0.00 0.00 44.72 46.84 1x6a s GLY 7 CO 0.00 0.98 0.98 1.25 0.00 0.00 0.00 173.10 176.31 1x6a s LYS 8 N -1.31 1.13 -1.53 2.90 2.20 -1.26 -5.01 119.74 116.87 1x6a s LYS 8 Ca 0.06 -0.62 -0.07 0.00 -0.36 0.00 0.00 55.97 54.98 1x6a s LYS 8 Cb -0.01 0.39 0.06 0.00 -1.51 0.00 0.00 37.83 36.76 1x6a s LYS 8 CO -0.05 -0.52 0.53 -0.25 -0.36 0.00 0.00 175.35 174.70 1x6a n ASP 9 N -0.47 -1.36 0.05 1.43 8.00 -1.26 -4.89 116.55 118.05 1x6a n ASP 9 Ca -0.06 -1.03 -0.18 0.00 0.71 0.00 0.00 54.79 54.23 1x6a n ASP 9 Cb 0.61 -2.84 -0.09 0.00 -0.02 0.00 0.00 41.12 38.78 1x6a n ASP 9 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1x6a h TYR 10 N -1.72 0.90 -3.74 1.24 -0.00 -2.01 -3.46 116.97 108.18 1x6a h TYR 10 Ca -0.62 -0.49 -0.45 0.00 -0.00 0.00 0.00 58.73 57.17 1x6a h TYR 10 Cb 1.38 -0.10 0.17 0.00 -0.00 0.00 0.00 36.73 38.18 1x6a h TYR 10 CO 0.55 1.33 0.15 -1.58 -0.00 0.00 0.00 178.16 178.60 1x6a s TRP 11 N -3.27 1.92 -0.07 0.10 0.52 -1.26 -5.06 118.94 111.81 1x6a s TRP 11 Ca -0.08 1.05 -0.31 0.00 0.02 0.00 0.00 56.10 56.78 1x6a s TRP 11 Cb 0.07 -3.22 0.11 0.00 -1.15 0.00 0.00 33.47 29.29 1x6a s TRP 11 CO 0.90 -3.12 1.37 0.20 0.02 0.00 0.00 176.95 176.33 1x6a s GLY 12 N -3.22 -0.30 0.41 0.98 0.00 -1.26 -5.15 107.32 98.78 1x6a s GLY 12 Ca 0.66 0.41 0.05 0.00 0.00 0.00 0.00 44.72 45.84 1x6a s GLY 12 CO 0.59 4.29 0.56 0.28 0.00 0.00 0.00 173.10 178.83 1x6a n LYS 13 N -0.80 0.62 -1.57 2.90 5.02 -1.26 -4.98 118.16 118.10 1x6a n LYS 13 Ca 0.00 -2.03 -0.31 0.00 -2.02 0.00 0.00 58.31 53.95 1x6a n LYS 13 Cb 0.60 -0.21 -0.05 0.00 -0.02 0.00 0.00 35.03 35.34 1x6a n LYS 13 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x6a n PHE 14 N -1.94 1.82 -1.99 2.13 7.35 -1.26 -4.89 117.46 118.68 1x6a n PHE 14 Ca 0.11 -2.35 0.00 0.00 -0.76 0.00 0.00 57.45 54.45 1x6a n PHE 14 Cb 0.40 -1.73 0.00 0.00 0.35 0.00 0.00 39.48 38.49 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1x6a n GLY 15 N 1.81 0.44 3.23 7.13 0.00 -1.26 -5.13 105.19 111.41 1x6a n GLY 15 Ca 0.57 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.37 1.96 0.12 1.61 2.02 -1.26 -5.15 118.70 115.62 1x6a s GLU 16 Ca 0.00 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.26 1x6a s GLU 16 Cb 0.00 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 1x6a s GLU 16 CO 0.00 0.42 -0.14 -0.06 0.02 0.00 0.00 175.26 175.50 1x6a s PHE 17 N -0.36 1.41 -0.41 1.61 0.08 -1.26 -4.18 117.98 114.87 1x6a s PHE 17 Ca 0.04 -0.54 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 1x6a s PHE 17 Cb -0.10 -0.74 0.01 0.00 -0.57 0.00 0.00 43.02 41.61 1x6a s PHE 17 CO 0.01 0.14 1.39 0.00 -0.10 0.00 0.00 175.22 176.66 1x6a h HIS 19 N 10.56 0.68 -0.94 0.00 -0.00 -1.80 0.34 115.15 123.98 1x6a h HIS 19 Ca -0.27 0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.28 1x6a h HIS 19 Cb 1.10 -0.16 -0.15 0.00 -0.00 0.00 0.00 27.41 28.21 1x6a h HIS 19 CO 0.96 -0.04 -0.39 0.41 -0.00 0.00 0.00 177.93 178.87 1x6a n GLY 20 N -1.33 -2.01 0.15 2.45 0.00 -1.26 -2.36 105.19 100.82 1x6a n GLY 20 Ca 0.22 1.06 0.02 0.00 0.00 0.00 0.00 46.02 47.33 1x6a n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6a n SER 22 N 0.18 0.00 -4.88 0.00 7.64 0.11 -5.00 113.62 111.67 1x6a n SER 22 Ca 0.02 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 1x6a n SER 22 Cb 0.11 -0.87 -0.05 0.00 -1.01 0.00 0.00 64.21 62.39 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 0.00 4.11 1.09 -3.43 1.43 -1.25 -4.70 118.68 115.92 1x6a s LEU 23 Ca 0.00 0.96 -0.13 0.00 -1.03 0.00 0.00 54.13 53.93 1x6a s LEU 23 Cb 0.00 -3.74 0.24 0.00 0.03 0.00 0.00 46.19 42.72 1x6a s LEU 23 CO 0.00 -0.14 1.06 -0.22 0.23 0.00 0.00 176.35 177.28 1x6a s LEU 24 N -3.04 1.21 0.10 1.79 2.96 -1.26 -1.47 118.68 118.98 1x6a s LEU 24 Ca 0.48 1.39 0.04 0.00 -0.22 0.00 0.00 54.13 55.82 1x6a s LEU 24 Cb -0.11 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1x6a s LEU 24 CO 0.23 -3.71 -0.11 0.00 -1.32 0.00 0.00 176.35 171.43 1x6a s MET 25 N -4.69 0.89 0.00 1.98 0.00 -1.26 -4.78 119.30 111.43 1x6a s MET 25 Ca 0.67 -1.16 0.00 0.00 0.00 0.00 0.00 55.69 55.20 1x6a s MET 25 Cb -0.22 -0.65 0.00 0.00 0.00 0.00 0.00 34.83 33.96 1x6a s MET 25 CO 0.61 0.11 0.04 0.25 0.00 0.00 0.00 175.02 176.03 1x6a n THR 26 N 0.62 0.00 -2.83 3.16 -2.24 -1.26 -5.04 114.28 106.69 1x6a n THR 26 Ca -0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1x6a n THR 26 Cb 0.57 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.43 4.47 3.76 3.38 0.00 -1.26 -5.14 105.19 110.83 1x6a n GLY 27 Ca 0.00 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 0.76 1.01 0.26 1.61 0.04 -1.26 -5.10 135.00 132.33 1x6a s PRO 28 Ca 0.00 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 1x6a s PRO 28 Cb 0.00 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 1x6a s PRO 28 CO 0.00 -2.30 0.29 -0.59 0.04 0.00 0.00 177.00 174.44 1x6a s PHE 29 N -3.19 1.14 0.15 0.56 -0.71 -1.26 -4.47 117.98 110.21 1x6a s PHE 29 Ca 0.64 -1.32 0.01 0.00 -1.04 0.00 0.00 56.93 55.22 1x6a s PHE 29 Cb -0.16 -0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 41.23 1x6a s PHE 29 CO 0.54 -0.85 0.01 -1.64 -1.34 0.00 0.00 175.22 171.94 1x6a s MET 30 N -3.76 1.02 -0.07 1.99 -1.94 -1.26 -4.98 119.30 110.30 1x6a s MET 30 Ca 0.35 -1.48 0.02 0.00 -1.71 0.00 0.00 55.69 52.87 1x6a s MET 30 Cb 0.03 -0.13 0.01 0.00 2.01 0.00 0.00 34.83 36.76 1x6a s MET 30 CO 0.17 -0.15 -0.11 0.08 -0.01 0.00 0.00 175.02 175.00 1x6a s VAL 31 N -3.75 1.08 -0.05 -6.03 1.01 -1.26 -4.03 120.40 107.37 1x6a s VAL 31 Ca 0.22 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1x6a s VAL 31 Cb 0.06 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.48 1x6a s VAL 31 CO 0.02 0.34 0.38 0.00 0.00 0.00 0.00 175.10 175.85 1x6a s ALA 32 N 0.73 -0.97 -1.43 5.51 0.00 -1.25 -4.91 121.76 119.44 1x6a s ALA 32 Ca -0.13 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1x6a s ALA 32 Cb -0.16 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1x6a s ALA 32 CO 0.03 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1x6a n GLY 33 N 1.62 -0.39 2.43 0.00 0.00 -1.26 -1.60 105.19 105.99 1x6a n GLY 33 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.86 -1.47 -3.60 1.61 0.28 -1.26 -4.97 120.64 108.36 1x6a n GLU 34 Ca -0.19 1.08 -0.23 0.00 -0.16 0.00 0.00 57.16 57.65 1x6a n GLU 34 Cb 0.64 -5.47 -0.01 0.00 1.43 0.00 0.00 31.44 28.04 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 -2.48 -0.48 -4.38 -1.84 3.72 -0.63 -5.15 117.46 106.22 1x6a n PHE 35 Ca -0.19 -2.01 -0.28 0.00 -0.05 0.00 0.00 57.45 54.91 1x6a n PHE 35 Cb 0.62 -0.37 -0.17 0.00 -0.94 0.00 0.00 39.48 38.63 1x6a n PHE 35 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1x6a s LYS 36 N -3.88 2.18 0.21 -1.08 2.20 -1.26 -3.90 119.74 114.21 1x6a s LYS 36 Ca 0.23 -0.54 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1x6a s LYS 36 Cb -0.02 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1x6a s LYS 36 CO 0.15 -0.09 0.12 0.71 -0.36 0.00 0.00 175.35 175.88 1x6a s TYR 37 N 1.07 1.24 0.24 4.03 2.02 -1.26 -2.44 117.35 122.25 1x6a s TYR 37 Ca -0.05 -1.34 -0.09 0.00 -0.37 0.00 0.00 57.07 55.22 1x6a s TYR 37 Cb -0.15 -0.63 -0.07 0.00 -0.40 0.00 0.00 41.96 40.71 1x6a s TYR 37 CO -0.03 -0.57 0.55 -1.01 -1.57 0.00 0.00 175.55 172.92 1x6a s HIS 38 N -4.07 3.43 0.25 2.71 3.76 -1.26 -4.24 115.29 115.87 1x6a s HIS 38 Ca 0.39 0.84 -0.04 0.00 -0.15 0.00 0.00 55.06 56.10 1x6a s HIS 38 Cb 0.07 -2.24 0.30 0.00 1.11 0.00 0.00 32.58 31.82 1x6a s HIS 38 CO 0.12 0.26 1.84 -1.00 -0.85 0.00 0.00 174.74 175.10 1x6a h PRO 39 N 2.44 1.06 0.00 8.40 0.13 -1.94 -1.28 132.00 140.80 1x6a h PRO 39 Ca -0.47 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1x6a h PRO 39 Cb 1.17 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1x6a h PRO 39 CO 0.69 0.84 0.00 0.39 -0.23 0.00 0.00 178.00 179.69 1x6a n GLU 40 N -4.30 0.60 -0.25 0.86 -0.58 -1.26 -2.70 120.64 113.01 1x6a n GLU 40 Ca 0.07 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.81 1x6a n GLU 40 Cb 0.16 -1.03 0.01 0.00 -0.57 0.00 0.00 31.44 30.01 1x6a n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x6a s PHE 42 N -0.20 3.65 0.24 0.00 5.36 -1.10 -4.85 117.98 121.09 1x6a s PHE 42 Ca 0.02 -2.88 -0.02 0.00 -0.96 0.00 0.00 56.93 53.09 1x6a s PHE 42 Cb 0.02 -3.21 -0.03 0.00 -0.34 0.00 0.00 43.02 39.45 1x6a s PHE 42 CO 0.00 -0.78 0.23 0.00 -1.46 0.00 0.00 175.22 173.22 1x6a s ALA 43 N -0.75 1.04 -0.16 11.12 0.00 -1.26 -1.60 121.76 130.15 1x6a s ALA 43 Ca 0.22 -1.62 -0.24 0.00 0.00 0.00 0.00 51.96 50.32 1x6a s ALA 43 Cb -0.13 1.34 -0.02 0.00 0.00 0.00 0.00 23.12 24.31 1x6a s ALA 43 CO -0.08 -0.66 0.78 0.00 0.00 0.00 0.00 175.76 175.80 1x6a h MET 45 N 7.29 -0.50 0.00 0.00 4.05 -1.92 0.43 114.93 124.28 1x6a h MET 45 Ca -0.31 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1x6a h MET 45 Cb 1.14 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1x6a h MET 45 CO 0.81 -0.33 0.26 1.03 0.23 0.00 0.00 176.91 178.91 1x6a h SER 46 N -0.52 0.00 0.00 1.39 0.87 -1.93 -3.07 113.55 110.29 1x6a h SER 46 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1x6a h SER 46 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1x6a h SER 46 CO -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.28 1x6a n LYS 48 N 0.00 -0.28 -2.08 0.00 4.76 0.15 -4.98 118.16 115.72 1x6a n LYS 48 Ca 0.00 0.07 -0.39 0.00 -2.87 0.00 0.00 58.31 55.12 1x6a n LYS 48 Cb 0.00 -4.04 -0.00 0.00 -1.84 0.00 0.00 35.03 29.15 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 -1.73 2.70 0.09 -0.18 0.11 -1.26 -4.69 120.40 115.45 1x6a s VAL 49 Ca 0.00 0.59 -0.30 0.00 -2.93 0.00 0.00 61.98 59.33 1x6a s VAL 49 Cb 0.00 -3.33 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 1x6a s VAL 49 CO 0.00 0.05 1.00 -0.63 -3.33 0.00 0.00 175.10 172.19 1x6a s ILE 50 N -1.35 4.45 0.20 7.04 -1.09 -1.26 -2.05 121.20 127.13 1x6a s ILE 50 Ca 0.61 1.96 0.05 0.00 -2.23 0.00 0.00 60.65 61.04 1x6a s ILE 50 Cb -0.35 -4.25 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 1x6a s ILE 50 CO 0.44 0.26 0.18 -0.63 -1.23 0.00 0.00 174.94 173.97 1x6a s ILE 51 N 0.25 4.60 0.36 2.92 1.01 -0.63 -4.97 121.20 124.74 1x6a s ILE 51 Ca 0.49 -1.14 0.08 0.00 0.00 0.00 0.00 60.65 60.08 1x6a s ILE 51 Cb -0.24 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1x6a s ILE 51 CO 0.30 -0.20 0.13 -1.61 0.00 0.00 0.00 174.94 173.56 1x6a s GLU 52 N -3.40 2.26 0.13 2.79 2.02 -1.26 -4.84 118.70 116.39 1x6a s GLU 52 Ca 0.32 -1.68 0.16 0.00 0.02 0.00 0.00 54.97 53.79 1x6a s GLU 52 Cb -0.09 -2.07 0.72 0.00 0.10 0.00 0.00 34.13 32.78 1x6a s GLU 52 CO 0.25 0.05 1.50 -0.40 0.02 0.00 0.00 175.26 176.68 1x6a n ASP 53 N -1.14 0.29 -0.39 -0.19 5.68 -1.26 -1.78 116.55 117.77 1x6a n ASP 53 Ca -0.03 0.59 0.05 0.00 -0.50 0.00 0.00 54.79 54.90 1x6a n ASP 53 Cb 0.62 -0.64 0.11 0.00 -1.14 0.00 0.00 41.12 40.07 1x6a n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x6a n GLY 54 N -0.38 3.28 3.95 6.12 0.00 -1.26 -5.03 105.19 111.87 1x6a n GLY 54 Ca 0.02 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.35 5.80 -0.16 1.61 -1.08 -0.73 -5.09 116.67 115.67 1x6a s ASP 55 Ca 0.19 -0.26 -0.29 0.00 -0.52 0.00 0.00 52.55 51.66 1x6a s ASP 55 Cb 0.13 -1.17 -0.01 0.00 -1.46 0.00 0.00 42.92 40.41 1x6a s ASP 55 CO 0.08 -0.40 1.07 0.00 0.52 0.00 0.00 175.17 176.44 1x6a s ALA 56 N -2.21 3.56 0.16 3.66 0.00 -1.26 -4.87 121.76 120.80 1x6a s ALA 56 Ca 0.44 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.69 1x6a s ALA 56 Cb -0.09 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1x6a s ALA 56 CO 0.30 -0.87 0.16 1.52 0.00 0.00 0.00 175.76 176.87 1x6a s TYR 57 N 2.69 0.76 -0.18 0.00 1.13 -1.26 -1.45 117.35 119.04 1x6a s TYR 57 Ca 0.48 -1.10 -0.05 0.00 -1.41 0.00 0.00 57.07 55.00 1x6a s TYR 57 Cb -0.18 -0.33 0.09 0.00 -1.10 0.00 0.00 41.96 40.43 1x6a s TYR 57 CO 0.13 -0.63 0.31 0.00 -2.51 0.00 0.00 175.55 172.85 1x6a s ALA 58 N -4.04 -0.72 0.12 9.51 0.00 -0.08 -4.38 121.76 122.17 1x6a s ALA 58 Ca 0.25 0.92 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 1x6a s ALA 58 Cb 0.06 -1.25 -0.07 0.00 0.00 0.00 0.00 23.12 21.86 1x6a s ALA 58 CO 0.04 -0.88 0.57 -1.17 0.00 0.00 0.00 175.76 174.32 1x6a s LEU 59 N 2.46 4.42 0.17 0.00 2.96 -1.26 -0.92 118.68 126.51 1x6a s LEU 59 Ca 0.04 1.19 0.06 0.00 -0.22 0.00 0.00 54.13 55.20 1x6a s LEU 59 Cb -0.13 -3.13 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 1x6a s LEU 59 CO -0.11 0.17 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 1x6a s VAL 60 N -1.31 1.38 1.12 1.68 1.01 0.23 -4.98 120.40 119.53 1x6a s VAL 60 Ca 0.34 -2.12 -0.18 0.00 0.00 0.00 0.00 61.98 60.02 1x6a s VAL 60 Cb -0.17 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.40 1x6a s VAL 60 CO 0.19 -0.68 0.04 0.00 0.00 0.00 0.00 175.10 174.65 1x6a n GLN 61 N -0.27 -1.82 -2.36 2.72 -0.00 -1.26 -2.81 117.38 111.57 1x6a n GLN 61 Ca -0.09 -0.52 -0.17 0.00 -0.00 0.00 0.00 57.00 56.22 1x6a n GLN 61 Cb 0.61 -1.66 -0.01 0.00 -0.00 0.00 0.00 30.24 29.17 1x6a n GLN 61 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1x6a n HIS 62 N -4.48 -1.13 -1.12 2.61 -0.00 -1.26 -2.22 115.22 107.62 1x6a n HIS 62 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.67 1x6a n HIS 62 Cb 0.59 -3.40 -0.03 0.00 -0.00 0.00 0.00 29.99 27.15 1x6a n HIS 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x6a n ALA 63 N -1.93 -0.10 -2.18 1.57 0.00 -1.20 -4.90 120.51 111.77 1x6a n ALA 63 Ca -0.20 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1x6a n ALA 63 Cb 0.65 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.47 3.62 -0.19 0.00 2.01 -0.94 -4.86 115.64 113.81 1x6a s THR 64 Ca 0.00 1.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.96 1x6a s THR 64 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 1x6a s THR 64 CO 0.00 -0.00 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.70 1x6a s LEU 65 N 2.44 3.25 0.34 4.42 2.96 -1.26 -0.60 118.68 130.23 1x6a s LEU 65 Ca 0.65 -0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1x6a s LEU 65 Cb -0.32 -1.81 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 1x6a s LEU 65 CO 0.27 0.09 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.04 1x6a s TYR 66 N 0.85 2.23 0.20 5.38 2.02 -0.10 -3.58 117.35 124.35 1x6a s TYR 66 Ca 0.00 -0.67 -0.10 0.00 -0.37 0.00 0.00 57.07 55.94 1x6a s TYR 66 Cb -0.14 -1.38 -0.07 0.00 -0.40 0.00 0.00 41.96 39.97 1x6a s TYR 66 CO 0.02 0.38 0.52 0.00 -1.57 0.00 0.00 175.55 174.90 1x6a h GLY 68 N 2.84 1.63 0.51 0.00 0.00 -1.45 0.94 103.07 107.53 1x6a h GLY 68 Ca -0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 1x6a h GLY 68 CO 0.69 -0.25 -0.24 1.70 0.00 0.00 0.00 176.54 178.44 1x6a h LYS 69 N 0.46 -0.64 0.00 4.80 3.64 -1.94 -1.60 116.57 121.28 1x6a h LYS 69 Ca 0.58 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 1x6a h LYS 69 Cb 1.09 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1x6a h LYS 69 CO -0.51 -0.42 0.00 0.00 -2.27 0.00 0.00 179.45 176.25 1x6a h HIS 71 N 0.00 0.01 -0.93 0.00 -0.00 -0.84 -3.36 115.15 110.03 1x6a h HIS 71 Ca 0.00 -0.01 0.19 0.00 -0.00 0.00 0.00 60.37 60.55 1x6a h HIS 71 Cb 0.17 -0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.50 1x6a h HIS 71 CO 0.00 1.38 0.60 -0.97 -0.00 0.00 0.00 177.93 178.94 1x6a h ASN 72 N -0.98 0.57 -0.61 3.26 -1.24 -0.21 -0.27 115.58 116.09 1x6a h ASN 72 Ca -0.27 0.06 0.11 0.00 0.71 0.00 0.00 56.30 56.91 1x6a h ASN 72 Cb 1.25 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.21 1x6a h ASN 72 CO -0.15 0.24 0.41 -0.08 -1.29 0.00 0.00 177.43 176.56 1x6a h GLU 73 N 0.58 0.37 0.07 6.67 4.57 -1.29 -0.49 114.58 125.05 1x6a h GLU 73 Ca 0.49 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.65 1x6a h GLU 73 Cb 0.99 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1x6a h GLU 73 CO -0.24 0.25 -0.03 0.28 -1.18 0.00 0.00 179.01 178.09 1x6a h VAL 74 N 0.38 0.00 -0.97 0.32 2.07 -1.21 -3.37 116.25 113.48 1x6a h VAL 74 Ca 0.29 -0.44 0.19 0.00 0.82 0.00 0.00 66.70 67.57 1x6a h VAL 74 Cb 0.62 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.30 1x6a h VAL 74 CO -0.08 0.00 0.61 1.62 0.02 0.00 0.00 177.57 179.74 1x6a h VAL 75 N -0.52 0.70 0.00 2.57 3.04 -1.48 -3.05 116.25 117.51 1x6a h VAL 75 Ca -0.01 -0.21 -0.44 0.00 -1.01 0.00 0.00 66.70 65.03 1x6a h VAL 75 Cb 0.07 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.36 1x6a h VAL 75 CO 0.02 0.11 1.85 -1.20 -1.01 0.00 0.00 177.57 177.34 1x6a n SER 76 N -4.64 7.04 -1.42 3.17 7.64 -0.20 -4.75 113.62 120.46 1x6a n SER 76 Ca 0.22 -2.52 -0.02 0.00 1.01 0.00 0.00 58.87 57.56 1x6a n SER 76 Cb 0.62 -1.48 0.01 0.00 -1.01 0.00 0.00 64.21 62.35 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 3.08 1.71 3.62 0.23 0.00 -1.15 -4.95 105.19 107.73 1x6a n GLY 77 Ca 0.61 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.02 3.72 0.63 1.61 0.04 -1.26 -4.95 135.00 132.76 1x6a s PRO 78 Ca 0.04 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 1x6a s PRO 78 Cb -0.01 -4.06 -0.12 0.00 0.04 0.00 0.00 34.50 30.35 1x6a s PRO 78 CO 0.03 -1.39 0.00 -1.13 0.04 0.00 0.00 177.00 174.55 1x6a n SER 79 N 8.75 -3.13 -4.53 6.66 3.41 -1.26 -5.03 113.62 118.49 1x6a n SER 79 Ca 0.19 0.59 -0.25 0.00 -0.26 0.00 0.00 58.87 59.14 1x6a n SER 79 Cb 0.45 -0.96 -0.11 0.00 -0.26 0.00 0.00 64.21 63.34 1x6a n SER 79 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x6a s SER 80 N -1.12 3.45 0.00 4.04 0.01 -1.26 -5.22 113.70 113.60 1x6a s SER 80 Ca 0.58 -1.26 0.29 0.00 1.31 0.00 0.00 55.95 56.86 1x6a s SER 80 Cb -0.41 -0.30 1.18 0.00 0.21 0.00 0.00 66.02 66.70 1x6a s SER 80 CO 0.65 -0.34 1.82 0.61 0.41 0.00 0.00 173.24 176.39