#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 0.34 0.38 1.61 0.01 -1.26 -5.18 113.70 109.59 1x6a s SER 2 Ca 0.00 -1.32 -0.16 0.00 1.31 0.00 0.00 55.95 55.78 1x6a s SER 2 Cb 0.00 0.32 0.06 0.00 0.21 0.00 0.00 66.02 66.61 1x6a s SER 2 CO 0.00 -0.78 0.81 -0.55 0.41 0.00 0.00 173.24 173.13 1x6a s SER 3 N -3.14 0.01 0.07 2.44 0.15 -1.26 -5.20 113.70 106.78 1x6a s SER 3 Ca 0.34 -1.13 -0.27 0.00 0.70 0.00 0.00 55.95 55.58 1x6a s SER 3 Cb 0.07 0.83 0.09 0.00 -1.71 0.00 0.00 66.02 65.30 1x6a s SER 3 CO 0.09 -1.66 1.05 -0.83 1.20 0.00 0.00 173.24 173.09 1x6a s GLY 4 N -3.10 -0.31 0.14 9.45 0.00 -1.26 -5.20 107.32 107.04 1x6a s GLY 4 Ca 0.16 0.45 -0.25 0.00 0.00 0.00 0.00 44.72 45.08 1x6a s GLY 4 CO 0.11 0.10 0.86 -0.56 0.00 0.00 0.00 173.10 173.61 1x6a s SER 5 N -2.86 -0.28 0.19 1.64 0.01 -1.26 -5.20 113.70 105.94 1x6a s SER 5 Ca 0.12 -0.29 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 1x6a s SER 5 Cb 0.00 0.52 0.05 0.00 0.21 0.00 0.00 66.02 66.80 1x6a s SER 5 CO -0.01 -0.91 0.89 -0.55 0.41 0.00 0.00 173.24 173.07 1x6a s SER 6 N -2.80 -0.20 0.16 2.44 0.15 -1.26 -5.19 113.70 107.00 1x6a s SER 6 Ca 0.09 -0.47 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 1x6a s SER 6 Cb -0.02 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 1x6a s SER 6 CO -0.02 -1.03 0.14 -0.83 1.20 0.00 0.00 173.24 172.70 1x6a s GLY 7 N -2.94 1.04 0.21 9.45 0.00 -1.26 -5.19 107.32 108.63 1x6a s GLY 7 Ca 0.12 -1.43 -0.20 0.00 0.00 0.00 0.00 44.72 43.21 1x6a s GLY 7 CO 0.04 -1.26 0.59 -1.59 0.00 0.00 0.00 173.10 170.88 1x6a s LYS 8 N -4.07 1.46 -0.75 2.90 -2.85 -1.26 -5.10 119.74 110.06 1x6a s LYS 8 Ca 0.28 -0.80 -0.26 0.00 -1.00 0.00 0.00 55.97 54.19 1x6a s LYS 8 Cb 0.06 0.56 -0.00 0.00 -2.06 0.00 0.00 37.83 36.39 1x6a s LYS 8 CO 0.05 -0.64 1.67 -0.51 0.10 0.00 0.00 175.35 176.03 1x6a s ASP 9 N -2.85 5.63 0.05 0.03 1.11 -1.26 -4.85 116.67 114.52 1x6a s ASP 9 Ca 0.08 -0.29 -0.29 0.00 0.18 0.00 0.00 52.55 52.23 1x6a s ASP 9 Cb -0.02 -2.55 -0.17 0.00 1.07 0.00 0.00 42.92 41.25 1x6a s ASP 9 CO -0.03 -2.20 1.46 0.22 1.18 0.00 0.00 175.17 175.80 1x6a h TYR 10 N 12.32 -0.62 -4.41 4.23 3.20 -2.07 -3.44 116.97 126.17 1x6a h TYR 10 Ca -0.14 -0.01 -0.47 0.00 3.14 0.00 0.00 58.73 61.24 1x6a h TYR 10 Cb 1.08 0.20 0.11 0.00 1.54 0.00 0.00 36.73 39.67 1x6a h TYR 10 CO 1.13 -0.32 0.36 1.67 -1.64 0.00 0.00 178.16 179.36 1x6a s TRP 11 N -5.48 2.83 0.00 -3.82 1.48 -1.26 -5.06 118.94 107.63 1x6a s TRP 11 Ca -0.16 0.90 0.00 0.00 -1.06 0.00 0.00 56.10 55.78 1x6a s TRP 11 Cb 0.03 -3.34 0.00 0.00 -1.16 0.00 0.00 33.47 29.00 1x6a s TRP 11 CO 0.58 -1.89 0.00 0.41 -4.06 0.00 0.00 176.95 171.99 1x6a n GLY 12 N -2.69 1.54 0.35 3.67 0.00 -1.26 -5.01 105.19 101.78 1x6a n GLY 12 Ca 0.07 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 46.02 1x6a n GLY 12 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x6a h LYS 13 N 0.00 0.56 -2.52 1.61 1.63 -2.00 -3.45 116.57 112.41 1x6a h LYS 13 Ca 0.00 -0.03 -0.23 0.00 -0.85 0.00 0.00 60.65 59.53 1x6a h LYS 13 Cb 0.00 -0.13 -0.06 0.00 -0.60 0.00 0.00 32.23 31.45 1x6a h LYS 13 CO 0.00 0.37 -0.25 1.19 -3.45 0.00 0.00 179.45 177.32 1x6a n PHE 14 N -4.86 -0.89 -1.74 1.91 3.72 -1.26 -4.93 117.46 109.42 1x6a n PHE 14 Ca 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 1x6a n PHE 14 Cb 0.74 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.81 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x6a n GLY 15 N -0.46 1.61 3.77 1.37 0.00 -1.26 -5.09 105.19 105.13 1x6a n GLY 15 Ca -0.12 -1.99 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 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 2.68 4.49 0.13 1.61 2.02 -1.26 -5.09 118.70 123.28 1x6a s GLU 16 Ca 0.00 1.05 0.06 0.00 0.02 0.00 0.00 54.97 56.11 1x6a s GLU 16 Cb 0.00 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1x6a s GLU 16 CO 0.00 0.44 -0.15 -0.06 0.02 0.00 0.00 175.26 175.52 1x6a s PHE 17 N -0.62 1.47 -0.21 1.61 0.40 -1.26 -3.72 117.98 115.65 1x6a s PHE 17 Ca 0.36 -0.55 -0.29 0.00 -0.60 0.00 0.00 56.93 55.85 1x6a s PHE 17 Cb -0.21 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1x6a s PHE 17 CO 0.24 0.18 1.85 0.00 0.70 0.00 0.00 175.22 178.19 1x6a n HIS 19 N 9.52 0.00 0.00 0.00 -0.00 -1.26 -0.80 115.22 122.68 1x6a n HIS 19 Ca 0.23 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 1x6a n HIS 19 Cb 0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.39 1x6a n HIS 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x6a n GLY 20 N 0.49 0.00 0.27 -1.41 0.00 -1.26 -4.89 105.19 98.38 1x6a n GLY 20 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.49 -5.38 -4.31 0.00 7.64 0.02 -4.99 113.62 106.11 1x6a n SER 22 Ca 0.06 -0.06 -0.28 0.00 1.01 0.00 0.00 58.87 59.59 1x6a n SER 22 Cb 0.33 -4.40 -0.14 0.00 -1.01 0.00 0.00 64.21 58.98 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 -5.40 2.17 0.87 -3.43 1.43 -1.26 -4.89 118.68 108.18 1x6a s LEU 23 Ca 0.05 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 1x6a s LEU 23 Cb -0.02 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 45.09 1x6a s LEU 23 CO 0.06 0.22 0.67 -0.11 0.23 0.00 0.00 176.35 177.42 1x6a n LEU 24 N 1.77 1.31 -4.60 1.79 7.94 -1.26 -0.40 117.00 123.55 1x6a n LEU 24 Ca -0.17 0.44 -0.29 0.00 -1.11 0.00 0.00 56.01 54.88 1x6a n LEU 24 Cb 0.52 -1.30 -0.09 0.00 0.53 0.00 0.00 43.42 43.08 1x6a n LEU 24 CO 0.23 -2.98 -0.40 0.00 -1.11 0.00 0.00 177.39 173.13 1x6a s MET 25 N -3.68 2.18 0.00 1.96 0.23 -1.24 -4.67 119.30 114.08 1x6a s MET 25 Ca 0.63 -1.06 0.00 0.00 -1.03 0.00 0.00 55.69 54.22 1x6a s MET 25 Cb -0.26 -2.31 0.00 0.00 -1.53 0.00 0.00 34.83 30.74 1x6a s MET 25 CO 0.61 0.49 0.00 0.25 -2.03 0.00 0.00 175.02 174.34 1x6a n THR 26 N 0.46 0.00 -0.62 3.16 -2.24 -1.26 -5.05 114.28 108.73 1x6a n THR 26 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1x6a n THR 26 Cb 0.53 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 2.77 -2.06 3.60 3.38 0.00 -1.26 -5.02 105.19 106.60 1x6a n GLY 27 Ca 0.00 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.92 0.17 0.14 1.61 0.04 -1.26 -5.07 135.00 127.72 1x6a s PRO 28 Ca 0.00 1.03 0.06 0.00 0.04 0.00 0.00 61.00 62.13 1x6a s PRO 28 Cb 0.00 -1.67 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1x6a s PRO 28 CO 0.00 -3.05 -0.14 -0.59 0.04 0.00 0.00 177.00 173.27 1x6a s PHE 29 N -2.64 1.46 -0.21 0.56 -0.12 -1.26 -4.58 117.98 111.19 1x6a s PHE 29 Ca 0.67 -0.59 -0.18 0.00 -0.05 0.00 0.00 56.93 56.78 1x6a s PHE 29 Cb -0.22 -0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 41.39 1x6a s PHE 29 CO 0.61 0.19 0.49 1.41 -0.05 0.00 0.00 175.22 177.86 1x6a s MET 30 N -3.05 4.17 -0.19 1.99 -2.45 -0.17 -4.91 119.30 114.68 1x6a s MET 30 Ca 0.13 0.34 -0.08 0.00 -1.25 0.00 0.00 55.69 54.84 1x6a s MET 30 Cb -0.03 -3.57 -0.04 0.00 1.25 0.00 0.00 34.83 32.44 1x6a s MET 30 CO 0.04 -0.15 0.07 0.08 1.05 0.00 0.00 175.02 176.10 1x6a s VAL 31 N 1.65 4.81 -0.17 10.11 1.01 -1.26 -2.09 120.40 134.46 1x6a s VAL 31 Ca 0.22 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1x6a s VAL 31 Cb -0.15 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.11 1x6a s VAL 31 CO 0.09 0.46 0.42 0.00 0.00 0.00 0.00 175.10 176.07 1x6a s ALA 32 N 0.40 -1.06 -1.23 5.51 0.00 -1.23 -4.90 121.76 119.25 1x6a s ALA 32 Ca 0.03 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.36 1x6a s ALA 32 Cb -0.12 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.18 1x6a s ALA 32 CO 0.00 -0.24 0.20 0.41 0.00 0.00 0.00 175.76 176.14 1x6a n GLY 33 N 3.65 -0.50 3.21 0.00 0.00 -1.26 -0.88 105.19 109.41 1x6a n GLY 33 Ca -0.19 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.21 0.00 -1.54 1.61 1.02 -1.26 -5.03 120.64 112.23 1x6a n GLU 34 Ca -0.12 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.85 1x6a n GLU 34 Cb 0.60 -2.68 0.11 0.00 -0.02 0.00 0.00 31.44 29.45 1x6a n GLU 34 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1x6a n PHE 35 N -2.00 -3.61 -3.75 -0.32 3.72 -0.06 -5.09 117.46 106.35 1x6a n PHE 35 Ca 0.00 -0.95 -0.13 0.00 -0.05 0.00 0.00 57.45 56.32 1x6a n PHE 35 Cb 0.00 -0.60 -0.13 0.00 -0.94 0.00 0.00 39.48 37.81 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 -4.63 0.19 0.07 -1.08 1.02 -1.26 -3.52 119.74 110.53 1x6a s LYS 36 Ca 0.48 0.43 -0.14 0.00 0.02 0.00 0.00 55.97 56.76 1x6a s LYS 36 Cb -0.02 -0.07 0.02 0.00 -0.52 0.00 0.00 37.83 37.24 1x6a s LYS 36 CO 0.33 -0.13 0.32 0.71 -0.92 0.00 0.00 175.35 175.66 1x6a s TYR 37 N 0.94 -0.10 0.48 3.18 2.02 -0.89 -4.02 117.35 118.96 1x6a s TYR 37 Ca -0.07 -0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.31 1x6a s TYR 37 Cb -0.08 0.12 -0.07 0.00 -0.40 0.00 0.00 41.96 41.52 1x6a s TYR 37 CO -0.06 -0.56 1.12 -1.01 -1.57 0.00 0.00 175.55 173.47 1x6a s HIS 38 N -3.01 2.88 0.17 2.71 3.76 -1.26 -1.00 115.29 119.54 1x6a s HIS 38 Ca -0.02 1.56 -0.14 0.00 -0.15 0.00 0.00 55.06 56.31 1x6a s HIS 38 Cb 0.01 -3.26 0.11 0.00 1.11 0.00 0.00 32.58 30.54 1x6a s HIS 38 CO -0.06 -1.30 1.77 -1.00 -0.85 0.00 0.00 174.74 173.30 1x6a h PRO 39 N 1.74 0.37 0.00 8.40 0.13 -1.91 -1.01 132.00 139.71 1x6a h PRO 39 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1x6a h PRO 39 Cb 1.24 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x6a h PRO 39 CO 0.59 0.24 0.00 0.39 -0.23 0.00 0.00 178.00 179.00 1x6a n GLU 40 N -4.96 0.05 -0.31 0.86 1.02 -1.26 -1.23 120.64 114.81 1x6a n GLU 40 Ca 0.03 0.16 0.05 0.00 -0.02 0.00 0.00 57.16 57.38 1x6a n GLU 40 Cb 0.14 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.13 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 -1.46 3.11 0.07 0.00 5.36 -0.37 -4.76 117.98 119.93 1x6a s PHE 42 Ca 0.17 -3.13 -0.05 0.00 -0.96 0.00 0.00 56.93 52.96 1x6a s PHE 42 Cb 0.15 -2.72 -0.02 0.00 -0.34 0.00 0.00 43.02 40.09 1x6a s PHE 42 CO 0.01 -0.72 0.08 0.00 -1.46 0.00 0.00 175.22 173.12 1x6a s ALA 43 N -0.36 0.14 0.08 11.12 0.00 -1.26 -0.86 121.76 130.62 1x6a s ALA 43 Ca 0.18 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 1x6a s ALA 43 Cb -0.24 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 1x6a s ALA 43 CO -0.02 -0.43 1.71 0.00 0.00 0.00 0.00 175.76 177.02 1x6a h MET 45 N 8.52 0.29 0.00 0.00 4.05 -1.37 0.41 114.93 126.83 1x6a h MET 45 Ca -0.43 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1x6a h MET 45 Cb 1.21 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1x6a h MET 45 CO 0.94 0.19 -0.00 0.77 0.23 0.00 0.00 176.91 179.04 1x6a h SER 46 N 0.30 0.00 0.00 1.39 0.02 -1.90 -3.31 113.55 110.04 1x6a h SER 46 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1x6a h SER 46 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1x6a h SER 46 CO -0.42 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.28 1x6a n LYS 48 N 0.00 -1.78 -2.55 0.00 4.01 0.14 -4.97 118.16 113.01 1x6a n LYS 48 Ca 0.00 0.44 -0.40 0.00 -0.51 0.00 0.00 58.31 57.84 1x6a n LYS 48 Cb 0.04 -4.78 -0.05 0.00 -0.51 0.00 0.00 35.03 29.73 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 -1.11 3.75 0.67 -0.18 0.11 -1.26 -4.73 120.40 117.65 1x6a s VAL 49 Ca 0.00 1.67 -0.17 0.00 -2.93 0.00 0.00 61.98 60.55 1x6a s VAL 49 Cb 0.00 -4.06 -0.01 0.00 -1.53 0.00 0.00 36.38 30.78 1x6a s VAL 49 CO 0.00 0.36 1.17 -0.38 -3.33 0.00 0.00 175.10 172.92 1x6a n ILE 50 N 1.66 4.15 -3.95 7.04 2.08 -1.26 -1.98 119.36 127.11 1x6a n ILE 50 Ca -0.00 -0.45 -0.31 0.00 0.56 0.00 0.00 62.75 62.55 1x6a n ILE 50 Cb 0.46 -1.34 -0.15 0.00 -0.75 0.00 0.00 39.64 37.86 1x6a n ILE 50 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1x6a s ILE 51 N -1.55 1.76 0.94 1.39 1.01 -0.04 -4.81 121.20 119.90 1x6a s ILE 51 Ca 0.79 -1.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 1x6a s ILE 51 Cb -0.37 -2.14 0.19 0.00 0.01 0.00 0.00 42.46 40.14 1x6a s ILE 51 CO 0.44 -0.36 1.30 -1.61 0.00 0.00 0.00 174.94 174.71 1x6a s GLU 52 N 1.23 0.79 0.00 2.79 2.02 -1.26 -4.77 118.70 119.49 1x6a s GLU 52 Ca 0.02 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.66 1x6a s GLU 52 Cb -0.19 -1.87 0.19 0.00 0.10 0.00 0.00 34.13 32.36 1x6a s GLU 52 CO -0.10 -2.31 0.54 -3.47 0.02 0.00 0.00 175.26 169.94 1x6a n ASP 53 N -3.70 0.00 0.00 -0.19 2.03 -1.26 -1.93 116.55 111.50 1x6a n ASP 53 Ca 0.15 -0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1x6a n ASP 53 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.55 0.78 3.76 0.27 0.00 -1.26 -5.12 105.19 103.08 1x6a n GLY 54 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1x6a n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6a s ASP 55 N -0.01 4.35 -0.48 1.61 1.01 -0.81 -4.98 116.67 117.36 1x6a s ASP 55 Ca 0.00 1.67 -0.28 0.00 0.71 0.00 0.00 52.55 54.65 1x6a s ASP 55 Cb 0.00 -2.39 0.03 0.00 1.01 0.00 0.00 42.92 41.57 1x6a s ASP 55 CO 0.00 -2.11 1.11 0.00 0.21 0.00 0.00 175.17 174.38 1x6a s ALA 56 N -2.95 3.15 0.26 5.23 0.00 -1.26 -4.92 121.76 121.28 1x6a s ALA 56 Ca 0.61 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1x6a s ALA 56 Cb -0.17 -3.87 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 1x6a s ALA 56 CO 0.56 -2.26 0.12 1.52 0.00 0.00 0.00 175.76 175.69 1x6a s TYR 57 N 4.39 1.49 -0.06 0.00 -0.85 -1.26 -0.40 117.35 120.65 1x6a s TYR 57 Ca 0.46 -1.26 -0.12 0.00 -0.52 0.00 0.00 57.07 55.63 1x6a s TYR 57 Cb -0.08 -0.83 0.02 0.00 0.38 0.00 0.00 41.96 41.46 1x6a s TYR 57 CO 0.31 -0.43 0.28 0.00 -1.52 0.00 0.00 175.55 174.19 1x6a s ALA 58 N -3.79 -0.71 -0.33 9.51 0.00 -0.30 -4.66 121.76 121.48 1x6a s ALA 58 Ca 0.37 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1x6a s ALA 58 Cb 0.07 -0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.07 1x6a s ALA 58 CO 0.14 -0.20 0.03 -0.51 0.00 0.00 0.00 175.76 175.23 1x6a s LEU 59 N -0.59 4.49 -0.05 0.00 1.43 -1.26 -1.03 118.68 121.66 1x6a s LEU 59 Ca -0.07 -1.91 -0.16 0.00 -1.03 0.00 0.00 54.13 50.96 1x6a s LEU 59 Cb -0.04 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1x6a s LEU 59 CO 0.02 -0.35 0.42 -0.69 0.23 0.00 0.00 176.35 175.98 1x6a s VAL 60 N 1.00 5.09 -0.82 -1.59 1.01 -0.82 -4.29 120.40 119.98 1x6a s VAL 60 Ca 0.05 0.86 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 1x6a s VAL 60 Cb -0.20 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.51 1x6a s VAL 60 CO -0.06 0.49 0.24 0.00 0.00 0.00 0.00 175.10 175.76 1x6a n GLN 61 N 2.53 -2.51 -4.38 2.72 3.00 -1.26 -2.43 117.38 115.05 1x6a n GLN 61 Ca -0.12 0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.68 1x6a n GLN 61 Cb 0.52 -4.79 -0.08 0.00 0.00 0.00 0.00 30.24 25.90 1x6a n GLN 61 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1x6a n HIS 62 N -3.27 -1.11 -0.15 1.08 1.44 -1.26 -4.66 115.22 107.30 1x6a n HIS 62 Ca 0.00 0.65 0.00 0.00 -2.01 0.00 0.00 57.72 56.36 1x6a n HIS 62 Cb 0.51 -1.76 0.00 0.00 0.12 0.00 0.00 29.99 28.86 1x6a n HIS 62 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x6a n ALA 63 N -3.87 0.00 -2.73 1.59 0.00 -1.02 -5.13 120.51 109.35 1x6a n ALA 63 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 1x6a n ALA 63 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 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 0.00 0.72 -0.09 0.00 2.01 -1.03 -5.05 115.64 112.19 1x6a s THR 64 Ca 0.00 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1x6a s THR 64 Cb 0.00 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.82 1x6a s THR 64 CO 0.00 -0.02 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.66 1x6a s LEU 65 N -0.79 3.32 0.12 4.42 2.96 -1.26 -1.95 118.68 125.50 1x6a s LEU 65 Ca -0.01 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1x6a s LEU 65 Cb -0.06 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1x6a s LEU 65 CO 0.00 0.33 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.01 1x6a s TYR 66 N -0.57 0.95 0.29 5.38 2.02 -0.20 -0.87 117.35 124.35 1x6a s TYR 66 Ca 0.09 -0.97 -0.02 0.00 -0.37 0.00 0.00 57.07 55.80 1x6a s TYR 66 Cb -0.12 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 1x6a s TYR 66 CO 0.02 -0.20 0.52 0.00 -1.57 0.00 0.00 175.55 174.32 1x6a h GLY 68 N 1.38 0.89 1.16 0.00 0.00 -0.99 0.10 103.07 105.61 1x6a h GLY 68 Ca -0.48 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 46.65 1x6a h GLY 68 CO 0.65 0.14 0.48 0.50 0.00 0.00 0.00 176.54 178.31 1x6a h LYS 69 N 0.62 0.86 0.01 4.80 1.79 -1.96 -0.15 116.57 122.54 1x6a h LYS 69 Ca 0.28 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1x6a h LYS 69 Cb 0.17 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1x6a h LYS 69 CO -0.18 0.57 -0.10 0.00 -1.08 0.00 0.00 179.45 178.66 1x6a h HIS 71 N -0.78 0.65 -0.29 0.00 -0.00 -0.51 -0.93 115.15 113.30 1x6a h HIS 71 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1x6a h HIS 71 Cb 0.95 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.14 1x6a h HIS 71 CO 0.22 0.33 0.18 -0.97 -0.00 0.00 0.00 177.93 177.69 1x6a h ASN 72 N 0.63 0.34 0.02 3.26 -1.24 -1.13 -2.47 115.58 114.98 1x6a h ASN 72 Ca 0.31 -0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.26 1x6a h ASN 72 Cb 0.39 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1x6a h ASN 72 CO -0.10 0.25 -0.13 -0.08 -1.29 0.00 0.00 177.43 176.07 1x6a h GLU 73 N 0.39 0.24 0.01 6.67 4.22 -1.24 0.55 114.58 125.41 1x6a h GLU 73 Ca 0.11 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1x6a h GLU 73 Cb -0.03 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1x6a h GLU 73 CO -0.02 0.38 -0.01 0.28 -2.18 0.00 0.00 179.01 177.46 1x6a h VAL 74 N 0.23 1.44 -0.19 0.32 2.07 -1.54 -3.33 116.25 115.25 1x6a h VAL 74 Ca 0.05 -1.97 -0.09 0.00 0.82 0.00 0.00 66.70 65.50 1x6a h VAL 74 Cb 0.38 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1x6a h VAL 74 CO 0.02 0.47 -0.30 -0.37 0.02 0.00 0.00 177.57 177.42 1x6a h VAL 75 N -0.95 1.27 -0.90 2.57 -1.51 -1.51 -3.01 116.25 112.20 1x6a h VAL 75 Ca -0.00 -1.30 -0.45 0.00 -1.23 0.00 0.00 66.70 63.72 1x6a h VAL 75 Cb 0.78 1.45 -0.16 0.00 -2.13 0.00 0.00 31.29 31.23 1x6a h VAL 75 CO 0.00 0.40 0.31 -1.20 -1.23 0.00 0.00 177.57 175.86 1x6a n SER 76 N -4.11 6.35 0.00 4.19 7.64 0.18 -4.37 113.62 123.49 1x6a n SER 76 Ca -0.01 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.75 1x6a n SER 76 Cb 0.42 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 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 0.99 -1.78 0.00 0.23 0.00 -1.14 -4.87 105.19 98.63 1x6a n GLY 77 Ca 0.46 0.82 0.02 0.00 0.00 0.00 0.00 46.02 47.33 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 0.00 0.03 -3.67 1.61 -0.04 -1.25 -4.05 135.00 127.62 1x6a n PRO 78 Ca 0.00 0.34 -0.29 0.00 -0.04 0.00 0.00 63.50 63.51 1x6a n PRO 78 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 1x6a n PRO 78 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x6a s SER 79 N -2.81 3.48 1.01 3.54 0.01 -1.26 -5.14 113.70 112.52 1x6a s SER 79 Ca 0.03 -1.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.01 1x6a s SER 79 Cb 0.03 -0.61 0.04 0.00 0.21 0.00 0.00 66.02 65.69 1x6a s SER 79 CO 0.08 -0.39 0.19 -1.20 0.41 0.00 0.00 173.24 172.33 1x6a n SER 80 N 5.04 -0.21 0.00 2.44 7.64 -1.26 -5.19 113.62 122.09 1x6a n SER 80 Ca -0.05 -0.98 0.11 0.00 1.01 0.00 0.00 58.87 58.95 1x6a n SER 80 Cb 0.44 -0.15 0.66 0.00 -1.01 0.00 0.00 64.21 64.14 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64