#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 0.19 -0.47 1.61 0.01 -1.26 -5.12 113.70 108.67 1x6a s SER 2 Ca 0.00 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 56.81 1x6a s SER 2 Cb 0.00 0.19 0.18 0.00 0.21 0.00 0.00 66.02 66.60 1x6a s SER 2 CO 0.00 -0.44 0.54 -1.20 0.41 0.00 0.00 173.24 172.55 1x6a n SER 3 N 1.04 -2.00 -0.04 2.44 7.64 -1.26 -4.99 113.62 116.46 1x6a n SER 3 Ca -0.21 -2.65 -0.17 0.00 1.01 0.00 0.00 58.87 56.86 1x6a n SER 3 Cb 0.57 0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 64.33 1x6a n SER 3 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1x6a h GLY 4 N 5.29 0.90 -1.28 0.23 0.00 -2.09 -3.45 103.07 102.68 1x6a h GLY 4 Ca 0.16 -1.21 -0.58 0.00 0.00 0.00 0.00 47.33 45.70 1x6a h GLY 4 CO 0.19 1.08 -0.39 -0.56 0.00 0.00 0.00 176.54 176.86 1x6a s SER 5 N -7.06 4.54 0.00 0.19 0.01 -1.26 -5.04 113.70 105.08 1x6a s SER 5 Ca -0.10 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 55.94 1x6a s SER 5 Cb 0.09 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1x6a s SER 5 CO 0.90 -0.89 0.00 -0.24 0.41 0.00 0.00 173.24 173.43 1x6a n SER 6 N -1.54 0.00 0.00 2.44 2.88 -1.26 -5.05 113.62 111.09 1x6a n SER 6 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1x6a n SER 6 Cb 0.64 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1x6a n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6a n GLY 7 N -1.49 0.39 2.58 0.46 0.00 -1.26 -5.12 105.19 100.75 1x6a n GLY 7 Ca 0.00 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1x6a n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x6a n LYS 8 N 0.00 0.44 -1.53 1.61 3.00 -1.26 -5.10 118.16 115.31 1x6a n LYS 8 Ca 0.00 -2.52 -0.38 0.00 -0.00 0.00 0.00 58.31 55.41 1x6a n LYS 8 Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 35.03 33.44 1x6a n LYS 8 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1x6a n ASP 9 N 2.67 1.84 -3.50 3.14 8.00 -1.26 -4.86 116.55 122.57 1x6a n ASP 9 Ca 0.22 -0.29 -0.14 0.00 0.71 0.00 0.00 54.79 55.29 1x6a n ASP 9 Cb 0.53 -1.41 -0.04 0.00 -0.02 0.00 0.00 41.12 40.18 1x6a n ASP 9 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1x6a s TYR 10 N 11.18 -0.54 -0.14 1.24 5.04 -1.26 -5.07 117.35 127.80 1x6a s TYR 10 Ca 1.08 0.75 0.15 0.00 -2.44 0.00 0.00 57.07 56.60 1x6a s TYR 10 Cb -0.47 0.47 0.04 0.00 0.35 0.00 0.00 41.96 42.35 1x6a s TYR 10 CO 0.33 -0.61 1.40 -1.49 -1.34 0.00 0.00 175.55 173.83 1x6a h TRP 11 N 2.57 0.00 0.00 4.97 4.06 -2.08 -3.50 115.95 121.97 1x6a h TRP 11 Ca -0.27 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.68 1x6a h TRP 11 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 1x6a h TRP 11 CO 0.31 0.53 0.00 0.41 -3.56 0.00 0.00 178.44 176.13 1x6a n GLY 12 N 1.24 -0.35 3.81 1.49 0.00 -1.26 -5.07 105.19 105.05 1x6a n GLY 12 Ca 0.01 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.63 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 0.00 2.70 0.01 1.61 1.02 -1.26 -5.03 119.74 118.79 1x6a s LYS 13 Ca 0.00 -1.27 0.27 0.00 0.02 0.00 0.00 55.97 54.99 1x6a s LYS 13 Cb 0.00 -2.44 0.94 0.00 -0.52 0.00 0.00 37.83 35.82 1x6a s LYS 13 CO 0.00 0.20 1.73 0.34 -0.92 0.00 0.00 175.35 176.70 1x6a n PHE 14 N -1.25 0.04 -1.14 3.18 -0.00 -1.26 -4.92 117.46 112.11 1x6a n PHE 14 Ca -0.04 0.01 -0.34 0.00 -0.00 0.00 0.00 57.45 57.08 1x6a n PHE 14 Cb 0.59 -0.43 0.10 0.00 -0.00 0.00 0.00 39.48 39.75 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1x6a n GLY 15 N 1.49 -0.79 3.84 7.13 0.00 -1.26 -5.02 105.19 110.58 1x6a n GLY 15 Ca 0.06 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.55 3.07 0.02 1.61 2.02 -1.26 -5.05 118.70 115.55 1x6a s GLU 16 Ca 0.69 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.95 1x6a s GLU 16 Cb -0.30 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.16 1x6a s GLU 16 CO 0.55 0.50 -0.15 -0.06 0.02 0.00 0.00 175.26 176.12 1x6a s PHE 17 N -1.73 1.34 -0.31 1.61 0.40 -1.26 -3.42 117.98 114.61 1x6a s PHE 17 Ca 0.32 -0.31 -0.28 0.00 -0.60 0.00 0.00 56.93 56.06 1x6a s PHE 17 Cb -0.10 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 1x6a s PHE 17 CO 0.25 0.02 1.92 0.00 0.70 0.00 0.00 175.22 178.11 1x6a h HIS 19 N 13.61 0.74 -0.63 0.00 2.76 -1.66 0.31 115.15 130.27 1x6a h HIS 19 Ca -0.35 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 57.97 1x6a h HIS 19 Cb 1.19 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.93 1x6a h HIS 19 CO 0.95 -0.03 0.43 0.78 -1.30 0.00 0.00 177.93 178.76 1x6a h GLY 20 N 0.43 0.58 0.00 5.26 0.00 -1.88 -3.20 103.07 104.26 1x6a h GLY 20 Ca 0.59 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1x6a h GLY 20 CO -0.52 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.10 1x6a n SER 22 N -0.69 0.00 -4.87 0.00 2.88 0.86 -4.98 113.62 106.81 1x6a n SER 22 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1x6a n SER 22 Cb 0.01 -1.78 0.05 0.00 -0.75 0.00 0.00 64.21 61.74 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 2.91 0.44 2.46 1.43 -1.26 -4.81 118.68 119.85 1x6a s LEU 23 Ca 0.00 1.19 -0.18 0.00 -1.03 0.00 0.00 54.13 54.12 1x6a s LEU 23 Cb 0.00 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.13 1x6a s LEU 23 CO 0.00 -1.35 0.91 -0.22 0.23 0.00 0.00 176.35 175.91 1x6a s LEU 24 N -5.39 3.85 0.08 1.79 2.96 -1.26 -2.93 118.68 117.78 1x6a s LEU 24 Ca 0.58 1.53 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 1x6a s LEU 24 Cb -0.11 -4.40 -0.04 0.00 0.50 0.00 0.00 46.19 42.14 1x6a s LEU 24 CO 0.52 -0.41 -0.07 0.00 -1.32 0.00 0.00 176.35 175.07 1x6a s MET 25 N -3.50 0.73 0.00 1.98 0.23 -1.22 -4.92 119.30 112.60 1x6a s MET 25 Ca 0.59 -1.12 0.00 0.00 -1.03 0.00 0.00 55.69 54.13 1x6a s MET 25 Cb -0.10 -0.28 0.00 0.00 -1.53 0.00 0.00 34.83 32.92 1x6a s MET 25 CO 0.21 0.02 0.01 0.25 -2.03 0.00 0.00 175.02 173.48 1x6a n THR 26 N 0.55 0.00 -2.49 3.16 -2.24 -1.26 -4.69 114.28 107.31 1x6a n THR 26 Ca -0.16 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1x6a n THR 26 Cb 0.58 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 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 0.26 2.57 3.72 3.38 0.00 -1.26 -5.12 105.19 108.74 1x6a n GLY 27 Ca 0.00 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 1.05 0.96 0.29 1.61 0.04 -1.26 -5.09 135.00 132.60 1x6a s PRO 28 Ca 0.00 0.60 -0.07 0.00 0.04 0.00 0.00 61.00 61.57 1x6a s PRO 28 Cb 0.00 -1.79 -0.00 0.00 0.04 0.00 0.00 34.50 32.75 1x6a s PRO 28 CO 0.00 -2.39 0.45 -0.59 0.04 0.00 0.00 177.00 174.51 1x6a s PHE 29 N -3.01 0.76 -0.06 0.56 -0.71 -1.26 -4.76 117.98 109.51 1x6a s PHE 29 Ca 0.64 -1.06 0.05 0.00 -1.04 0.00 0.00 56.93 55.52 1x6a s PHE 29 Cb -0.17 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 1x6a s PHE 29 CO 0.56 -1.05 -0.23 1.41 -1.34 0.00 0.00 175.22 174.58 1x6a s MET 30 N -3.51 2.42 -0.19 1.99 1.75 -0.42 -4.89 119.30 116.46 1x6a s MET 30 Ca 0.28 -0.83 -0.08 0.00 -1.25 0.00 0.00 55.69 53.81 1x6a s MET 30 Cb 0.00 -2.03 -0.04 0.00 2.84 0.00 0.00 34.83 35.60 1x6a s MET 30 CO 0.15 0.32 0.07 0.08 -0.65 0.00 0.00 175.02 174.99 1x6a s VAL 31 N -0.05 4.87 -0.18 10.11 1.01 -1.26 -1.35 120.40 133.55 1x6a s VAL 31 Ca -0.05 -0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1x6a s VAL 31 Cb -0.14 -3.20 0.05 0.00 0.00 0.00 0.00 36.38 33.09 1x6a s VAL 31 CO 0.04 0.45 0.45 0.00 0.00 0.00 0.00 175.10 176.04 1x6a s ALA 32 N 0.41 -1.15 -0.09 5.51 0.00 -0.71 -4.87 121.76 120.86 1x6a s ALA 32 Ca 0.04 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1x6a s ALA 32 Cb -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1x6a s ALA 32 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1x6a n GLY 33 N 3.71 0.19 1.22 0.00 0.00 -1.26 -1.65 105.19 107.39 1x6a n GLY 33 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.00 0.00 -1.37 1.61 1.02 -1.26 -5.05 120.64 115.58 1x6a n GLU 34 Ca -0.01 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 1x6a n GLU 34 Cb 0.40 -0.28 0.09 0.00 -0.02 0.00 0.00 31.44 31.63 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 -2.36 2.72 -0.18 -0.32 0.08 -0.66 -5.02 117.98 112.23 1x6a s PHE 35 Ca 0.00 1.42 -0.04 0.00 0.12 0.00 0.00 56.93 58.43 1x6a s PHE 35 Cb 0.00 -3.03 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 1x6a s PHE 35 CO 0.00 -1.73 -0.04 0.15 -0.10 0.00 0.00 175.22 173.49 1x6a s LYS 36 N -4.98 3.51 0.04 0.44 3.01 -1.26 -1.75 119.74 118.76 1x6a s LYS 36 Ca 0.61 -0.58 0.05 0.00 -1.01 0.00 0.00 55.97 55.03 1x6a s LYS 36 Cb -0.16 -2.95 -0.02 0.00 -1.01 0.00 0.00 37.83 33.69 1x6a s LYS 36 CO 0.56 0.03 -0.13 0.71 0.51 0.00 0.00 175.35 177.03 1x6a s TYR 37 N 0.90 1.14 0.57 3.18 2.02 -0.46 -1.62 117.35 123.09 1x6a s TYR 37 Ca -0.01 -0.37 -0.18 0.00 -0.37 0.00 0.00 57.07 56.14 1x6a s TYR 37 Cb -0.15 -0.67 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1x6a s TYR 37 CO 0.01 0.03 1.12 -1.01 -1.57 0.00 0.00 175.55 174.13 1x6a s HIS 38 N -0.94 2.68 0.16 2.71 3.76 -1.26 -1.29 115.29 121.11 1x6a s HIS 38 Ca -0.00 1.55 -0.13 0.00 -0.15 0.00 0.00 55.06 56.33 1x6a s HIS 38 Cb -0.08 -3.24 0.06 0.00 1.11 0.00 0.00 32.58 30.43 1x6a s HIS 38 CO 0.01 -1.56 1.73 -1.00 -0.85 0.00 0.00 174.74 173.08 1x6a h PRO 39 N 0.91 0.82 0.00 8.40 0.13 -1.90 -2.30 132.00 138.06 1x6a h PRO 39 Ca -0.49 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1x6a h PRO 39 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1x6a h PRO 39 CO 0.56 0.70 0.00 -0.85 -0.23 0.00 0.00 178.00 178.18 1x6a n GLU 40 N -4.52 0.21 0.00 0.86 -0.00 -1.26 -1.60 120.64 114.32 1x6a n GLU 40 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 1x6a n GLU 40 Cb 0.15 -1.33 0.00 0.00 -0.00 0.00 0.00 31.44 30.26 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 -0.33 3.05 0.06 0.00 5.36 -0.63 -4.92 117.98 120.57 1x6a s PHE 42 Ca 0.00 -1.64 0.02 0.00 -0.96 0.00 0.00 56.93 54.34 1x6a s PHE 42 Cb 0.00 -4.51 -0.03 0.00 -0.34 0.00 0.00 43.02 38.14 1x6a s PHE 42 CO 0.00 -1.63 -0.07 0.00 -1.46 0.00 0.00 175.22 172.06 1x6a s ALA 43 N 3.15 0.69 0.05 11.12 0.00 -1.26 -0.65 121.76 134.87 1x6a s ALA 43 Ca 0.45 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 1x6a s ALA 43 Cb -0.00 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.12 1x6a s ALA 43 CO -0.01 -0.10 1.74 0.00 0.00 0.00 0.00 175.76 177.40 1x6a h MET 45 N 8.99 0.05 0.80 0.00 2.86 -1.10 0.27 114.93 126.80 1x6a h MET 45 Ca -0.44 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.16 1x6a h MET 45 Cb 1.21 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.86 1x6a h MET 45 CO 0.94 0.04 -0.38 1.03 1.06 0.00 0.00 176.91 179.59 1x6a h SER 46 N 0.06 -0.91 1.80 1.22 0.87 -1.90 -3.22 113.55 111.47 1x6a h SER 46 Ca 0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1x6a h SER 46 Cb 0.07 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1x6a h SER 46 CO -0.10 -0.61 0.00 0.00 -0.53 0.00 0.00 176.83 175.59 1x6a n LYS 48 N -2.96 -6.54 -5.16 0.00 4.76 0.93 -5.02 118.16 104.17 1x6a n LYS 48 Ca 0.04 0.81 -0.29 0.00 -2.87 0.00 0.00 58.31 56.00 1x6a n LYS 48 Cb 0.49 -5.73 -0.16 0.00 -1.84 0.00 0.00 35.03 27.79 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 -3.34 1.85 0.59 -0.18 0.11 -1.23 -4.92 120.40 113.28 1x6a s VAL 49 Ca 0.08 -0.99 -0.20 0.00 -2.93 0.00 0.00 61.98 57.94 1x6a s VAL 49 Cb -0.03 -1.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 1x6a s VAL 49 CO 0.70 0.52 1.28 -0.63 -3.33 0.00 0.00 175.10 173.65 1x6a s ILE 50 N -0.46 2.27 -0.75 7.04 -1.09 -1.26 -0.81 121.20 126.13 1x6a s ILE 50 Ca 0.06 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1x6a s ILE 50 Cb -0.10 -3.08 0.18 0.00 -1.58 0.00 0.00 42.46 37.89 1x6a s ILE 50 CO -0.00 -0.02 0.58 -0.63 -1.23 0.00 0.00 174.94 173.63 1x6a s ILE 51 N -1.42 3.53 1.12 2.92 1.01 0.18 -4.81 121.20 123.73 1x6a s ILE 51 Ca 0.77 -3.89 -0.18 0.00 0.00 0.00 0.00 60.65 57.35 1x6a s ILE 51 Cb -0.36 -3.27 0.25 0.00 0.01 0.00 0.00 42.46 39.10 1x6a s ILE 51 CO 0.40 -1.01 1.16 -1.61 0.00 0.00 0.00 174.94 173.88 1x6a s GLU 52 N -1.16 -0.57 0.00 2.79 2.02 -1.26 -4.86 118.70 115.65 1x6a s GLU 52 Ca 0.24 -0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1x6a s GLU 52 Cb -0.09 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.46 1x6a s GLU 52 CO -0.12 -3.28 0.03 -3.47 0.02 0.00 0.00 175.26 168.44 1x6a n ASP 53 N -4.45 0.01 -0.16 -0.19 -0.08 -1.26 -1.79 116.55 108.63 1x6a n ASP 53 Ca 0.13 -0.07 0.02 0.00 -1.51 0.00 0.00 54.79 53.36 1x6a n ASP 53 Cb 0.59 -0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.06 1x6a n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x6a n GLY 54 N -0.26 -0.59 3.11 0.27 0.00 -1.26 -4.98 105.19 101.47 1x6a n GLY 54 Ca 0.00 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.67 1.91 -0.39 1.61 2.15 -0.74 -5.12 116.67 115.42 1x6a s ASP 55 Ca 0.05 -0.31 -0.13 0.00 0.43 0.00 0.00 52.55 52.59 1x6a s ASP 55 Cb 0.04 -0.48 0.02 0.00 -0.30 0.00 0.00 42.92 42.20 1x6a s ASP 55 CO 0.09 0.14 0.25 0.00 -0.17 0.00 0.00 175.17 175.49 1x6a s ALA 56 N 0.01 3.40 1.22 3.66 0.00 -1.26 -4.69 121.76 124.11 1x6a s ALA 56 Ca -0.02 -1.67 -0.20 0.00 0.00 0.00 0.00 51.96 50.06 1x6a s ALA 56 Cb -0.10 -2.74 0.29 0.00 0.00 0.00 0.00 23.12 20.57 1x6a s ALA 56 CO 0.01 -1.36 1.11 2.48 0.00 0.00 0.00 175.76 178.00 1x6a n TYR 57 N 5.09 -3.91 -3.37 0.00 4.11 -1.26 0.04 117.16 117.86 1x6a n TYR 57 Ca -0.12 -1.01 -0.08 0.00 -0.00 0.00 0.00 57.90 56.70 1x6a n TYR 57 Cb 0.47 -1.12 -0.07 0.00 -0.00 0.00 0.00 39.34 38.62 1x6a n TYR 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1x6a s ALA 58 N -3.13 -1.22 0.34 -3.48 0.00 -1.19 -4.44 121.76 108.64 1x6a s ALA 58 Ca 0.71 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 53.51 1x6a s ALA 58 Cb -0.06 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1x6a s ALA 58 CO 0.54 -1.20 1.01 -0.51 0.00 0.00 0.00 175.76 175.60 1x6a s LEU 59 N 2.59 4.30 0.23 0.00 1.43 -1.26 -4.21 118.68 121.75 1x6a s LEU 59 Ca 0.12 1.98 0.10 0.00 -1.03 0.00 0.00 54.13 55.29 1x6a s LEU 59 Cb -0.15 -4.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 1x6a s LEU 59 CO -0.16 -0.24 -0.07 -0.69 0.23 0.00 0.00 176.35 175.42 1x6a s VAL 60 N -1.56 3.21 0.39 -1.59 1.01 -1.26 -5.04 120.40 115.56 1x6a s VAL 60 Ca 0.52 -1.86 0.14 0.00 0.00 0.00 0.00 61.98 60.78 1x6a s VAL 60 Cb -0.22 -2.65 0.36 0.00 0.00 0.00 0.00 36.38 33.86 1x6a s VAL 60 CO 0.28 -0.26 1.85 0.06 0.00 0.00 0.00 175.10 177.04 1x6a h GLN 61 N 2.41 0.50 -6.44 2.72 3.07 -1.97 -3.40 115.11 112.00 1x6a h GLN 61 Ca -0.45 -0.03 -0.54 0.00 0.09 0.00 0.00 58.65 57.72 1x6a h GLN 61 Cb 1.23 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 28.64 1x6a h GLN 61 CO 0.57 0.33 0.02 -1.01 0.09 0.00 0.00 178.83 178.84 1x6a s HIS 62 N -5.54 3.66 -0.54 0.06 3.76 -1.26 -4.97 115.29 110.47 1x6a s HIS 62 Ca -0.09 1.26 -0.23 0.00 -0.15 0.00 0.00 55.06 55.85 1x6a s HIS 62 Cb 0.23 -2.52 -0.21 0.00 1.11 0.00 0.00 32.58 31.18 1x6a s HIS 62 CO 0.79 0.41 1.82 0.00 -0.85 0.00 0.00 174.74 176.90 1x6a n ALA 63 N 0.90 2.60 -2.98 -1.40 0.00 -1.26 -4.81 120.51 113.55 1x6a n ALA 63 Ca -0.04 -3.01 -0.10 0.00 0.00 0.00 0.00 53.44 50.29 1x6a n ALA 63 Cb 0.51 -3.62 -0.11 0.00 0.00 0.00 0.00 19.45 16.23 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 5.51 0.08 -0.05 0.00 2.01 -1.26 -5.15 115.64 116.79 1x6a s THR 64 Ca 0.59 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1x6a s THR 64 Cb 0.14 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 72.38 1x6a s THR 64 CO 0.18 -0.36 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.50 1x6a s LEU 65 N -1.10 3.39 0.09 4.42 2.96 -1.26 -4.27 118.68 122.90 1x6a s LEU 65 Ca -0.12 0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1x6a s LEU 65 Cb -0.07 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1x6a s LEU 65 CO -0.00 0.34 0.03 -0.31 -1.32 0.00 0.00 176.35 175.09 1x6a s TYR 66 N -0.93 0.62 0.30 5.38 2.02 -1.26 -0.45 117.35 123.03 1x6a s TYR 66 Ca 0.15 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 1x6a s TYR 66 Cb -0.11 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 1x6a s TYR 66 CO 0.05 -0.46 0.49 0.00 -1.57 0.00 0.00 175.55 174.06 1x6a h GLY 68 N 1.14 1.00 0.99 0.00 0.00 -0.60 0.21 103.07 105.80 1x6a h GLY 68 Ca -0.49 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1x6a h GLY 68 CO 0.63 0.17 -0.01 0.50 0.00 0.00 0.00 176.54 177.83 1x6a h LYS 69 N 0.71 -0.02 -0.61 4.80 1.57 -1.95 0.59 116.57 121.66 1x6a h LYS 69 Ca 0.30 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1x6a h LYS 69 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1x6a h LYS 69 CO -0.18 -0.00 0.34 0.00 -0.57 0.00 0.00 179.45 179.04 1x6a h HIS 71 N 0.83 -0.07 -0.03 0.00 -0.00 -0.30 -1.72 115.15 113.87 1x6a h HIS 71 Ca 0.22 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1x6a h HIS 71 Cb 0.03 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1x6a h HIS 71 CO -0.01 0.13 0.03 -0.97 -0.00 0.00 0.00 177.93 177.11 1x6a h ASN 72 N -0.26 0.00 0.01 3.26 -1.24 -0.74 -1.14 115.58 115.46 1x6a h ASN 72 Ca -0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1x6a h ASN 72 Cb 0.23 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.28 1x6a h ASN 72 CO 0.01 0.00 -0.01 -0.08 -1.29 0.00 0.00 177.43 176.07 1x6a h GLU 73 N 0.00 -0.02 -0.71 6.67 4.81 -1.00 -3.29 114.58 121.04 1x6a h GLU 73 Ca 0.02 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1x6a h GLU 73 Cb 0.08 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1x6a h GLU 73 CO -0.00 0.59 0.26 -0.24 -0.73 0.00 0.00 179.01 178.89 1x6a h VAL 74 N -0.98 1.25 -0.24 0.32 3.04 -0.98 -2.55 116.25 116.10 1x6a h VAL 74 Ca -0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 1x6a h VAL 74 Cb 0.62 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1x6a h VAL 74 CO 0.00 0.32 0.15 1.62 -1.01 0.00 0.00 177.57 178.66 1x6a h VAL 75 N 1.04 1.07 0.00 1.51 3.04 -1.38 -1.45 116.25 120.08 1x6a h VAL 75 Ca 0.24 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1x6a h VAL 75 Cb 0.23 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1x6a h VAL 75 CO -0.02 0.07 0.00 -1.54 -1.01 0.00 0.00 177.57 175.07 1x6a n SER 76 N -4.49 0.00 -0.92 3.17 3.41 -0.96 -4.85 113.62 108.97 1x6a n SER 76 Ca 0.01 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 1x6a n SER 76 Cb 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1x6a n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6a n GLY 77 N 0.78 3.79 3.75 5.00 0.00 -0.54 -5.10 105.19 112.87 1x6a n GLY 77 Ca 0.16 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.77 2.71 0.20 1.61 0.04 -1.26 -4.94 135.00 131.59 1x6a s PRO 78 Ca 0.00 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 1x6a s PRO 78 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1x6a s PRO 78 CO 0.00 -1.38 0.42 -1.12 0.04 0.00 0.00 177.00 174.96 1x6a s SER 79 N -1.93 -0.09 0.15 6.66 0.01 -1.26 -4.90 113.70 112.34 1x6a s SER 79 Ca 0.74 -0.76 -0.24 0.00 1.31 0.00 0.00 55.95 57.00 1x6a s SER 79 Cb -0.28 0.52 0.07 0.00 0.21 0.00 0.00 66.02 66.54 1x6a s SER 79 CO 0.38 -1.01 0.74 -0.94 0.41 0.00 0.00 173.24 172.81 1x6a s SER 80 N -2.95 -0.41 0.00 2.44 1.04 -1.26 -5.21 113.70 107.35 1x6a s SER 80 Ca 0.16 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1x6a s SER 80 Cb 0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1x6a s SER 80 CO 0.02 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.88