#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 -0.29 -0.30 1.61 0.15 -1.26 -5.16 113.70 108.45 1x6a s SER 2 Ca 0.00 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 1x6a s SER 2 Cb 0.00 0.42 0.19 0.00 -1.71 0.00 0.00 66.02 64.91 1x6a s SER 2 CO 0.00 -0.64 0.77 -0.55 1.20 0.00 0.00 173.24 174.02 1x6a s SER 3 N -1.91 -1.05 0.40 5.45 0.15 -1.26 -5.15 113.70 110.32 1x6a s SER 3 Ca -0.06 0.61 -0.24 0.00 0.70 0.00 0.00 55.95 56.96 1x6a s SER 3 Cb -0.01 1.86 -0.09 0.00 -1.71 0.00 0.00 66.02 66.07 1x6a s SER 3 CO -0.01 -0.20 1.03 -0.83 1.20 0.00 0.00 173.24 174.43 1x6a s GLY 4 N 2.89 2.71 -0.29 9.45 0.00 -1.26 -5.04 107.32 115.79 1x6a s GLY 4 Ca 0.13 0.66 0.05 0.00 0.00 0.00 0.00 44.72 45.55 1x6a s GLY 4 CO -0.18 1.07 0.54 -0.45 0.00 0.00 0.00 173.10 174.08 1x6a s SER 5 N -1.63 -1.06 -0.02 1.64 0.15 -1.26 -5.01 113.70 106.51 1x6a s SER 5 Ca 0.58 0.03 0.10 0.00 0.70 0.00 0.00 55.95 57.35 1x6a s SER 5 Cb -0.20 1.77 -0.15 0.00 -1.71 0.00 0.00 66.02 65.73 1x6a s SER 5 CO 0.26 -0.32 0.20 -0.24 1.20 0.00 0.00 173.24 174.34 1x6a n SER 6 N 5.40 2.71 -1.78 5.45 2.88 -1.26 -5.10 113.62 121.91 1x6a n SER 6 Ca 0.04 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1x6a n SER 6 Cb 0.53 1.37 -0.01 0.00 -0.75 0.00 0.00 64.21 65.34 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 1.99 -3.73 3.58 0.46 0.00 -1.26 -5.11 105.19 101.11 1x6a n GLY 7 Ca -0.04 0.21 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1x6a n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6a s LYS 8 N -1.01 0.75 -0.09 1.61 0.00 -1.26 -5.17 119.74 114.57 1x6a s LYS 8 Ca -0.08 0.99 -0.26 0.00 0.00 0.00 0.00 55.97 56.61 1x6a s LYS 8 Cb 0.01 0.31 0.06 0.00 0.00 0.00 0.00 37.83 38.21 1x6a s LYS 8 CO 0.21 -0.11 0.61 0.16 0.00 0.00 0.00 175.35 176.23 1x6a s ASP 9 N 0.67 -0.59 0.14 0.03 1.47 -1.26 -5.19 116.67 111.95 1x6a s ASP 9 Ca -0.03 0.75 -0.16 0.00 1.18 0.00 0.00 52.55 54.29 1x6a s ASP 9 Cb -0.05 0.68 0.03 0.00 -0.34 0.00 0.00 42.92 43.24 1x6a s ASP 9 CO -0.04 -0.50 0.43 -0.47 0.68 0.00 0.00 175.17 175.27 1x6a s TYR 10 N -0.87 -0.17 -2.29 2.11 5.04 -1.26 -5.07 117.35 114.84 1x6a s TYR 10 Ca -0.09 -0.15 0.27 0.00 -2.44 0.00 0.00 57.07 54.65 1x6a s TYR 10 Cb -0.02 0.29 0.79 0.00 0.35 0.00 0.00 41.96 43.37 1x6a s TYR 10 CO 0.07 -0.76 1.59 0.91 -1.34 0.00 0.00 175.55 176.02 1x6a n TRP 11 N -0.26 0.00 -3.61 4.97 7.02 -1.26 -5.03 117.44 119.27 1x6a n TRP 11 Ca -0.14 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.02 1x6a n TRP 11 Cb 0.63 -0.04 0.02 0.00 -2.42 0.00 0.00 31.31 29.51 1x6a n TRP 11 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1x6a n GLY 12 N 1.26 -0.53 0.12 6.99 0.00 -1.26 -4.96 105.19 106.81 1x6a n GLY 12 Ca 0.16 0.92 -0.21 0.00 0.00 0.00 0.00 46.02 46.88 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 1.03 0.24 0.42 1.61 3.64 -2.04 -3.40 116.57 118.07 1x6a h LYS 13 Ca -0.58 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 58.37 1x6a h LYS 13 Cb 1.39 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1x6a h LYS 13 CO 0.29 1.20 -0.20 0.35 -2.27 0.00 0.00 179.45 178.82 1x6a h PHE 14 N -0.35 -0.53 -4.18 1.91 3.57 -2.06 -3.48 116.94 111.83 1x6a h PHE 14 Ca -0.27 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.04 1x6a h PHE 14 Cb 1.72 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.60 1x6a h PHE 14 CO 0.14 -0.20 -0.13 0.41 -2.23 0.00 0.00 178.31 176.30 1x6a n GLY 15 N -0.44 4.01 3.27 2.40 0.00 -1.26 -5.17 105.19 108.00 1x6a n GLY 15 Ca -0.10 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.48 2.11 0.05 1.61 2.02 -1.26 -4.75 118.70 116.00 1x6a s GLU 16 Ca 0.01 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1x6a s GLU 16 Cb 0.00 -1.95 -0.04 0.00 0.10 0.00 0.00 34.13 32.24 1x6a s GLU 16 CO 0.00 0.47 0.13 -0.06 0.02 0.00 0.00 175.26 175.82 1x6a s PHE 17 N -0.43 3.34 -0.35 1.61 0.08 -1.26 -3.65 117.98 117.31 1x6a s PHE 17 Ca 0.05 0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.99 1x6a s PHE 17 Cb -0.11 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.64 1x6a s PHE 17 CO 0.00 0.56 1.64 0.00 -0.10 0.00 0.00 175.22 177.32 1x6a h HIS 19 N 11.87 0.56 -0.76 0.00 2.76 -1.90 0.43 115.15 128.12 1x6a h HIS 19 Ca -0.31 0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.04 1x6a h HIS 19 Cb 1.14 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 29.89 1x6a h HIS 19 CO 0.96 0.13 0.51 0.78 -1.30 0.00 0.00 177.93 179.01 1x6a h GLY 20 N 0.41 0.55 0.00 5.26 0.00 -1.88 -3.28 103.07 104.13 1x6a h GLY 20 Ca 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1x6a h GLY 20 CO -0.19 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.38 1x6a n SER 22 N -0.22 -5.27 -4.59 0.00 7.64 0.12 -4.96 113.62 106.34 1x6a n SER 22 Ca 0.00 0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 1x6a n SER 22 Cb 0.07 -4.36 -0.10 0.00 -1.01 0.00 0.00 64.21 58.81 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 -4.80 3.11 0.77 -3.43 1.43 -1.26 -4.85 118.68 109.65 1x6a s LEU 23 Ca 0.00 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 1x6a s LEU 23 Cb 0.00 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.44 1x6a s LEU 23 CO 0.00 0.23 1.09 -0.22 0.23 0.00 0.00 176.35 177.69 1x6a s LEU 24 N -1.77 3.03 0.07 1.79 2.96 -1.26 -1.13 118.68 122.37 1x6a s LEU 24 Ca 0.19 1.83 0.08 0.00 -0.22 0.00 0.00 54.13 56.01 1x6a s LEU 24 Cb -0.11 -4.52 -0.03 0.00 0.50 0.00 0.00 46.19 42.03 1x6a s LEU 24 CO 0.10 -2.05 -0.23 0.00 -1.32 0.00 0.00 176.35 172.86 1x6a s MET 25 N -4.90 1.41 -0.45 1.98 0.23 -1.24 -4.85 119.30 111.48 1x6a s MET 25 Ca 0.61 -1.07 0.09 0.00 -1.03 0.00 0.00 55.69 54.29 1x6a s MET 25 Cb -0.17 -1.61 0.32 0.00 -1.53 0.00 0.00 34.83 31.84 1x6a s MET 25 CO 0.56 0.40 0.76 0.25 -2.03 0.00 0.00 175.02 174.96 1x6a n THR 26 N 1.55 0.79 0.00 3.16 -2.24 -1.26 -4.93 114.28 111.36 1x6a n THR 26 Ca -0.18 -4.81 0.00 0.00 -2.27 0.00 0.00 64.05 56.79 1x6a n THR 26 Cb 0.53 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.36 1.86 3.62 3.38 0.00 -1.26 -5.17 105.19 107.98 1x6a n GLY 27 Ca 0.26 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 0.00 0.26 1.61 0.04 -1.26 -5.06 135.00 128.59 1x6a s PRO 28 Ca 0.00 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 1x6a s PRO 28 Cb 0.00 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 1x6a s PRO 28 CO 0.00 -3.04 0.32 -0.59 0.04 0.00 0.00 177.00 173.73 1x6a s PHE 29 N -2.82 1.00 0.02 0.56 -0.12 -1.26 -4.57 117.98 110.79 1x6a s PHE 29 Ca 0.66 -1.22 -0.12 0.00 -0.05 0.00 0.00 56.93 56.21 1x6a s PHE 29 Cb -0.20 -0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 1x6a s PHE 29 CO 0.60 -0.88 0.37 1.41 -0.05 0.00 0.00 175.22 176.67 1x6a s MET 30 N -3.79 3.79 -0.21 1.99 -2.45 -1.26 -5.00 119.30 112.37 1x6a s MET 30 Ca 0.33 0.23 -0.08 0.00 -1.25 0.00 0.00 55.69 54.93 1x6a s MET 30 Cb 0.03 -3.12 -0.04 0.00 1.25 0.00 0.00 34.83 32.95 1x6a s MET 30 CO 0.15 0.65 0.08 0.08 1.05 0.00 0.00 175.02 177.02 1x6a s VAL 31 N -1.21 4.75 0.05 10.11 1.01 -1.26 -4.38 120.40 129.47 1x6a s VAL 31 Ca 0.27 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.93 1x6a s VAL 31 Cb -0.15 -3.17 0.10 0.00 0.00 0.00 0.00 36.38 33.16 1x6a s VAL 31 CO 0.14 0.41 1.16 0.00 0.00 0.00 0.00 175.10 176.82 1x6a s ALA 32 N 0.76 -2.02 -1.17 5.51 0.00 -1.26 -5.02 121.76 118.56 1x6a s ALA 32 Ca 0.04 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 1x6a s ALA 32 Cb -0.13 0.47 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1x6a s ALA 32 CO 0.02 -1.05 0.24 0.41 0.00 0.00 0.00 175.76 175.38 1x6a n GLY 33 N -0.49 -0.50 2.52 0.00 0.00 -1.26 -2.47 105.19 103.00 1x6a n GLY 33 Ca -0.08 0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.26 -1.82 0.00 1.61 0.28 -1.26 -4.87 120.64 111.32 1x6a n GLU 34 Ca -0.09 0.47 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 1x6a n GLU 34 Cb 0.58 -4.43 0.00 0.00 1.43 0.00 0.00 31.44 29.02 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 -1.51 0.00 -3.77 -1.84 3.72 -1.03 -5.17 117.46 107.86 1x6a n PHE 35 Ca -0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.23 1x6a n PHE 35 Cb 0.37 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.77 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 2.47 0.10 0.07 -1.08 1.02 -1.26 -4.50 119.74 116.55 1x6a s LYS 36 Ca 0.00 0.32 0.04 0.00 0.02 0.00 0.00 55.97 56.36 1x6a s LYS 36 Cb 0.00 -0.13 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 1x6a s LYS 36 CO 0.00 -0.14 -0.12 0.71 -0.92 0.00 0.00 175.35 174.88 1x6a s TYR 37 N 0.95 1.07 0.59 3.18 2.02 -1.26 -3.53 117.35 120.36 1x6a s TYR 37 Ca -0.07 -0.48 -0.19 0.00 -0.37 0.00 0.00 57.07 55.96 1x6a s TYR 37 Cb -0.09 -0.61 -0.04 0.00 -0.40 0.00 0.00 41.96 40.82 1x6a s TYR 37 CO -0.05 0.02 1.18 -1.01 -1.57 0.00 0.00 175.55 174.12 1x6a s HIS 38 N -1.35 2.47 0.26 2.71 3.76 -1.26 -4.29 115.29 117.59 1x6a s HIS 38 Ca -0.04 1.53 -0.03 0.00 -0.15 0.00 0.00 55.06 56.37 1x6a s HIS 38 Cb -0.10 -3.41 0.40 0.00 1.11 0.00 0.00 32.58 30.58 1x6a s HIS 38 CO 0.02 -2.02 1.88 -1.00 -0.85 0.00 0.00 174.74 172.77 1x6a h PRO 39 N 0.87 1.12 0.00 8.40 0.13 -1.95 -0.59 132.00 139.98 1x6a h PRO 39 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1x6a h PRO 39 Cb 1.28 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1x6a h PRO 39 CO 0.55 0.74 0.00 0.39 -0.23 0.00 0.00 178.00 179.45 1x6a n GLU 40 N -4.52 0.53 -0.02 0.86 1.02 -1.26 -3.32 120.64 113.94 1x6a n GLU 40 Ca 0.15 0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.32 1x6a n GLU 40 Cb 0.18 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.12 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 -1.03 3.73 0.21 0.00 5.36 -0.85 -4.77 117.98 120.64 1x6a s PHE 42 Ca 0.03 -2.49 -0.11 0.00 -0.96 0.00 0.00 56.93 53.40 1x6a s PHE 42 Cb 0.03 -3.52 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 1x6a s PHE 42 CO 0.00 -0.89 0.39 0.00 -1.46 0.00 0.00 175.22 173.26 1x6a s ALA 43 N -0.35 -0.11 0.02 11.12 0.00 -1.26 -2.14 121.76 129.05 1x6a s ALA 43 Ca 0.21 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1x6a s ALA 43 Cb -0.13 1.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.94 1x6a s ALA 43 CO -0.08 -0.77 1.59 0.00 0.00 0.00 0.00 175.76 176.51 1x6a h MET 45 N 8.53 0.55 0.00 0.00 4.05 -1.27 0.28 114.93 127.06 1x6a h MET 45 Ca -0.41 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1x6a h MET 45 Cb 1.19 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1x6a h MET 45 CO 0.93 0.37 -0.29 0.45 0.23 0.00 0.00 176.91 178.60 1x6a n SER 46 N -4.51 0.40 0.00 1.39 2.88 -1.26 -4.40 113.62 108.11 1x6a n SER 46 Ca 0.15 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1x6a n SER 46 Cb 0.46 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1x6a n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x6a n LYS 48 N -0.20 -0.60 -2.07 0.00 4.01 0.86 -4.95 118.16 115.21 1x6a n LYS 48 Ca 0.00 0.15 -0.41 0.00 -0.51 0.00 0.00 58.31 57.53 1x6a n LYS 48 Cb 0.00 -4.39 -0.03 0.00 -0.51 0.00 0.00 35.03 30.11 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 -1.33 2.84 0.40 -0.18 0.11 -1.26 -4.68 120.40 116.30 1x6a s VAL 49 Ca 0.00 0.69 -0.26 0.00 -2.93 0.00 0.00 61.98 59.48 1x6a s VAL 49 Cb 0.00 -3.44 -0.09 0.00 -1.53 0.00 0.00 36.38 31.32 1x6a s VAL 49 CO 0.00 0.10 1.26 -0.63 -3.33 0.00 0.00 175.10 172.50 1x6a s ILE 50 N 0.15 2.78 -0.42 7.04 -1.09 -1.26 -2.13 121.20 126.27 1x6a s ILE 50 Ca 0.59 0.69 -0.12 0.00 -2.23 0.00 0.00 60.65 59.59 1x6a s ILE 50 Cb -0.40 -3.40 0.06 0.00 -1.58 0.00 0.00 42.46 37.13 1x6a s ILE 50 CO 0.40 0.09 0.29 -0.63 -1.23 0.00 0.00 174.94 173.87 1x6a s ILE 51 N -1.30 4.70 0.80 2.92 1.01 -0.91 -4.91 121.20 123.52 1x6a s ILE 51 Ca 0.56 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 1x6a s ILE 51 Cb -0.36 -3.77 0.08 0.00 0.01 0.00 0.00 42.46 38.42 1x6a s ILE 51 CO 0.46 -0.44 1.11 -1.61 0.00 0.00 0.00 174.94 174.46 1x6a s GLU 52 N 1.55 1.95 -1.35 2.79 2.02 -1.26 -4.89 118.70 119.50 1x6a s GLU 52 Ca 0.03 1.31 -0.15 0.00 0.02 0.00 0.00 54.97 56.18 1x6a s GLU 52 Cb -0.22 -1.85 0.01 0.00 0.10 0.00 0.00 34.13 32.17 1x6a s GLU 52 CO 0.05 -1.90 2.16 -3.47 0.02 0.00 0.00 175.26 172.13 1x6a n ASP 53 N -3.62 3.72 0.00 -0.19 -0.08 -1.26 -1.69 116.55 113.44 1x6a n ASP 53 Ca 0.10 -2.82 0.00 0.00 -1.51 0.00 0.00 54.79 50.56 1x6a n ASP 53 Cb 0.53 -1.59 0.00 0.00 2.34 0.00 0.00 41.12 42.40 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 4.23 0.07 3.75 0.27 0.00 -1.26 -5.10 105.19 107.16 1x6a n GLY 54 Ca 0.51 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 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 7.31 0.31 1.61 2.15 -0.68 -5.01 116.67 122.35 1x6a s ASP 55 Ca 0.00 2.14 -0.29 0.00 0.43 0.00 0.00 52.55 54.83 1x6a s ASP 55 Cb 0.00 -2.61 -0.10 0.00 -0.30 0.00 0.00 42.92 39.91 1x6a s ASP 55 CO 0.00 -0.15 1.24 0.00 -0.17 0.00 0.00 175.17 176.09 1x6a s ALA 56 N -0.67 3.47 0.26 3.66 0.00 -1.26 -4.80 121.76 122.43 1x6a s ALA 56 Ca 0.47 1.14 0.05 0.00 0.00 0.00 0.00 51.96 53.61 1x6a s ALA 56 Cb -0.30 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 1x6a s ALA 56 CO 0.37 -0.48 0.19 2.48 0.00 0.00 0.00 175.76 178.32 1x6a n TYR 57 N 1.04 -0.45 -3.80 0.00 4.11 -1.26 -3.18 117.16 113.63 1x6a n TYR 57 Ca 0.00 -2.09 -0.12 0.00 -0.00 0.00 0.00 57.90 55.69 1x6a n TYR 57 Cb 0.43 0.17 -0.10 0.00 -0.00 0.00 0.00 39.34 39.84 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 -2.98 -0.61 -0.19 -3.48 0.00 -1.26 -4.86 121.76 108.37 1x6a s ALA 58 Ca 0.27 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.56 1x6a s ALA 58 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.04 1x6a s ALA 58 CO 0.19 -0.20 -0.12 -1.17 0.00 0.00 0.00 175.76 174.46 1x6a s LEU 59 N -0.82 2.55 0.32 0.00 1.98 -1.26 -4.38 118.68 117.07 1x6a s LEU 59 Ca -0.09 -0.49 -0.01 0.00 -2.89 0.00 0.00 54.13 50.65 1x6a s LEU 59 Cb -0.05 -1.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.15 1x6a s LEU 59 CO 0.02 0.01 0.54 -0.69 -1.89 0.00 0.00 176.35 174.34 1x6a s VAL 60 N 1.25 5.09 0.42 1.68 1.01 -1.26 -5.00 120.40 123.59 1x6a s VAL 60 Ca 0.03 -0.31 0.20 0.00 0.00 0.00 0.00 61.98 61.90 1x6a s VAL 60 Cb -0.14 -3.82 0.40 0.00 0.00 0.00 0.00 36.38 32.82 1x6a s VAL 60 CO -0.06 -0.47 1.81 0.06 0.00 0.00 0.00 175.10 176.44 1x6a h GLN 61 N 1.09 0.34 -6.40 2.72 3.07 -2.00 -3.42 115.11 110.52 1x6a h GLN 61 Ca -0.49 -0.02 -0.54 0.00 0.09 0.00 0.00 58.65 57.69 1x6a h GLN 61 Cb 1.21 -0.08 -0.03 0.00 0.08 0.00 0.00 27.48 28.66 1x6a h GLN 61 CO 0.63 0.23 -0.15 -1.58 0.09 0.00 0.00 178.83 178.05 1x6a s HIS 62 N -5.40 3.44 -0.60 0.06 2.46 -1.26 -4.99 115.29 108.99 1x6a s HIS 62 Ca -0.08 0.79 -0.21 0.00 0.47 0.00 0.00 55.06 56.03 1x6a s HIS 62 Cb 0.24 -2.20 -0.18 0.00 -0.13 0.00 0.00 32.58 30.31 1x6a s HIS 62 CO 0.79 0.28 1.84 0.00 -2.47 0.00 0.00 174.74 175.18 1x6a n ALA 63 N -0.23 2.88 -3.37 1.58 0.00 -1.26 -4.79 120.51 115.32 1x6a n ALA 63 Ca -0.00 -2.92 -0.13 0.00 0.00 0.00 0.00 53.44 50.39 1x6a n ALA 63 Cb 0.52 -3.55 -0.09 0.00 0.00 0.00 0.00 19.45 16.34 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 5.23 0.00 0.03 0.00 2.01 -1.26 -5.17 115.64 116.48 1x6a s THR 64 Ca 0.55 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.55 1x6a s THR 64 Cb 0.14 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.94 1x6a s THR 64 CO 0.14 -0.02 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.83 1x6a s LEU 65 N 0.09 3.44 0.20 4.42 2.96 -1.26 -4.41 118.68 124.12 1x6a s LEU 65 Ca -0.01 -0.09 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1x6a s LEU 65 Cb -0.03 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1x6a s LEU 65 CO 0.01 0.24 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.92 1x6a s TYR 66 N -1.16 1.48 0.27 5.38 2.02 -1.26 -0.71 117.35 123.37 1x6a s TYR 66 Ca 0.21 -0.82 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 1x6a s TYR 66 Cb -0.12 -0.81 -0.05 0.00 -0.40 0.00 0.00 41.96 40.59 1x6a s TYR 66 CO 0.13 0.06 0.52 0.00 -1.57 0.00 0.00 175.55 174.69 1x6a h GLY 68 N 1.81 0.75 0.84 0.00 0.00 -1.88 0.28 103.07 104.88 1x6a h GLY 68 Ca -0.48 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1x6a h GLY 68 CO 0.67 -0.16 -0.12 1.70 0.00 0.00 0.00 176.54 178.63 1x6a h LYS 69 N 0.20 -0.32 -0.38 4.80 3.64 -1.95 -3.01 116.57 119.54 1x6a h LYS 69 Ca 0.33 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1x6a h LYS 69 Cb 0.52 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1x6a h LYS 69 CO -0.47 -0.10 0.22 0.00 -2.27 0.00 0.00 179.45 176.83 1x6a h HIS 71 N 0.52 0.00 0.01 0.00 -0.00 -0.34 -1.82 115.15 113.52 1x6a h HIS 71 Ca 0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.22 1x6a h HIS 71 Cb -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.35 1x6a h HIS 71 CO 0.00 0.00 -1.65 -0.97 -0.00 0.00 0.00 177.93 175.31 1x6a h ASN 72 N 0.00 0.02 0.51 3.26 -1.24 -1.19 -3.35 115.58 113.60 1x6a h ASN 72 Ca 0.00 -0.04 -0.06 0.00 0.71 0.00 0.00 56.30 56.91 1x6a h ASN 72 Cb 0.40 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 1x6a h ASN 72 CO 0.00 1.04 -0.27 -0.08 -1.29 0.00 0.00 177.43 176.83 1x6a h GLU 73 N 0.00 0.00 0.00 6.67 4.57 -0.78 -1.23 114.58 123.81 1x6a h GLU 73 Ca -0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1x6a h GLU 73 Cb 1.99 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.58 1x6a h GLU 73 CO 0.09 0.27 0.00 1.33 -1.18 0.00 0.00 179.01 179.51 1x6a n VAL 74 N -3.77 0.11 -0.09 0.32 0.24 -0.95 -4.06 118.33 110.14 1x6a n VAL 74 Ca -0.01 -0.05 -0.19 0.00 -2.04 0.00 0.00 64.34 62.05 1x6a n VAL 74 Cb 0.37 -0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 1x6a n VAL 74 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1x6a n VAL 75 N -1.63 1.17 -1.52 3.34 3.14 -1.00 -4.99 118.33 116.84 1x6a n VAL 75 Ca 0.07 -0.19 -0.53 0.00 -2.96 0.00 0.00 64.34 60.73 1x6a n VAL 75 Cb 0.35 -1.85 -0.07 0.00 -1.06 0.00 0.00 33.84 31.22 1x6a n VAL 75 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1x6a n SER 76 N -3.97 2.23 0.00 6.55 7.64 -0.50 -4.43 113.62 121.14 1x6a n SER 76 Ca -0.34 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1x6a n SER 76 Cb 0.71 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 5.80 -1.68 3.74 0.23 0.00 -1.26 -4.91 105.19 107.11 1x6a n GLY 77 Ca 0.37 0.66 -0.30 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 1.57 0.55 1.61 0.04 -1.26 -5.03 135.00 132.48 1x6a s PRO 78 Ca 0.00 0.84 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 1x6a s PRO 78 Cb 0.00 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1x6a s PRO 78 CO 0.00 -2.03 1.02 0.45 0.04 0.00 0.00 177.00 176.48 1x6a s SER 79 N -3.51 6.24 -0.10 6.66 0.15 -1.26 -4.98 113.70 116.90 1x6a s SER 79 Ca 0.63 1.69 0.20 0.00 0.70 0.00 0.00 55.95 59.17 1x6a s SER 79 Cb -0.17 -2.52 0.38 0.00 -1.71 0.00 0.00 66.02 62.00 1x6a s SER 79 CO 0.56 -0.85 1.16 -1.54 1.20 0.00 0.00 173.24 173.77 1x6a n SER 80 N -1.75 0.63 0.00 5.45 3.41 -1.26 -5.23 113.62 114.86 1x6a n SER 80 Ca 0.08 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 1x6a n SER 80 Cb 0.53 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49