#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 -0.30 -1.38 1.61 0.15 -1.26 -4.86 113.70 107.66 1x6a s SER 2 Ca 0.00 0.58 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 1x6a s SER 2 Cb 0.00 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1x6a s SER 2 CO 0.00 -0.11 0.02 -1.20 1.20 0.00 0.00 173.24 173.15 1x6a n SER 3 N 3.08 -4.82 -4.70 5.45 7.64 -1.26 -4.90 113.62 114.10 1x6a n SER 3 Ca -0.14 0.09 -0.43 0.00 1.01 0.00 0.00 58.87 59.40 1x6a n SER 3 Cb 0.58 -4.05 -0.03 0.00 -1.01 0.00 0.00 64.21 59.70 1x6a n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6a n GLY 4 N -0.91 1.51 3.67 0.23 0.00 -1.26 -4.89 105.19 103.54 1x6a n GLY 4 Ca -0.19 0.65 -0.47 0.00 0.00 0.00 0.00 46.02 46.02 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 4.35 3.05 -4.01 1.61 2.88 -1.26 -4.97 113.62 115.28 1x6a n SER 5 Ca 0.17 1.07 -0.08 0.00 -1.33 0.00 0.00 58.87 58.69 1x6a n SER 5 Cb 0.34 -1.40 -0.09 0.00 -0.75 0.00 0.00 64.21 62.31 1x6a n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6a s SER 6 N 1.45 0.34 0.00 -3.46 1.04 -1.26 -5.11 113.70 106.70 1x6a s SER 6 Ca 0.82 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1x6a s SER 6 Cb -0.70 0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.64 1x6a s SER 6 CO 0.41 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x6a n GLY 7 N 0.33 0.16 3.81 7.32 0.00 -1.26 -4.97 105.19 110.57 1x6a n GLY 7 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.82 -0.42 1.61 -2.85 -1.26 -5.02 119.74 115.63 1x6a s LYS 8 Ca 0.00 1.22 0.09 0.00 -1.00 0.00 0.00 55.97 56.27 1x6a s LYS 8 Cb 0.00 -2.11 0.30 0.00 -2.06 0.00 0.00 37.83 33.97 1x6a s LYS 8 CO 0.00 -0.39 0.82 -0.25 0.10 0.00 0.00 175.35 175.63 1x6a n ASP 9 N -1.19 -0.82 0.13 0.03 8.00 -1.26 -4.97 116.55 116.47 1x6a n ASP 9 Ca 0.08 -3.19 0.11 0.00 0.71 0.00 0.00 54.79 52.50 1x6a n ASP 9 Cb 0.53 0.51 0.50 0.00 -0.02 0.00 0.00 41.12 42.64 1x6a n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x6a n TYR 10 N 0.76 0.70 0.30 1.24 4.11 -1.26 -2.02 117.16 120.99 1x6a n TYR 10 Ca 0.16 0.32 0.16 0.00 -0.00 0.00 0.00 57.90 58.54 1x6a n TYR 10 Cb 0.64 -1.01 0.62 0.00 -0.00 0.00 0.00 39.34 39.59 1x6a n TYR 10 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.86 175.37 1x6a h TRP 11 N 0.00 0.00 0.00 -3.48 4.06 -2.05 -3.47 115.95 111.01 1x6a h TRP 11 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x6a h TRP 11 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1x6a h TRP 11 CO 0.00 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.29 1x6a n GLY 12 N 0.13 2.50 2.80 1.49 0.00 -0.85 -4.48 105.19 106.78 1x6a n GLY 12 Ca 0.01 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 0.07 0.00 1.61 -0.14 -1.26 -5.02 119.74 115.00 1x6a s LYS 13 Ca 0.00 0.43 0.00 0.00 -1.36 0.00 0.00 55.97 55.04 1x6a s LYS 13 Cb 0.00 -0.62 0.00 0.00 -1.68 0.00 0.00 37.83 35.53 1x6a s LYS 13 CO 0.00 -0.42 0.00 1.19 -0.76 0.00 0.00 175.35 175.36 1x6a n PHE 14 N 5.32 0.00 -3.94 3.18 3.01 -1.26 -5.16 117.46 118.61 1x6a n PHE 14 Ca -0.05 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.43 1x6a n PHE 14 Cb 0.50 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.98 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x6a n GLY 15 N 0.49 0.40 3.90 1.37 0.00 -1.26 -5.16 105.19 104.92 1x6a n GLY 15 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.01 3.66 0.06 1.61 8.01 -1.26 -5.10 118.70 123.68 1x6a s GLU 16 Ca 0.19 0.11 0.06 0.00 0.01 0.00 0.00 54.97 55.35 1x6a s GLU 16 Cb -0.01 -2.58 -0.03 0.00 -4.31 0.00 0.00 34.13 27.21 1x6a s GLU 16 CO -0.00 0.15 -0.16 -0.06 0.01 0.00 0.00 175.26 175.19 1x6a s PHE 17 N -2.16 1.42 -0.34 1.61 0.40 -1.26 -3.80 117.98 113.84 1x6a s PHE 17 Ca 0.46 -0.40 -0.28 0.00 -0.60 0.00 0.00 56.93 56.10 1x6a s PHE 17 Cb -0.11 -0.82 -0.02 0.00 0.51 0.00 0.00 43.02 42.59 1x6a s PHE 17 CO 0.30 0.08 1.76 0.00 0.70 0.00 0.00 175.22 178.07 1x6a h HIS 19 N 12.70 0.96 -0.95 0.00 2.76 -1.77 0.50 115.15 129.35 1x6a h HIS 19 Ca -0.33 0.04 0.23 0.00 -2.20 0.00 0.00 60.37 58.11 1x6a h HIS 19 Cb 1.16 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.78 1x6a h HIS 19 CO 0.96 0.15 0.63 0.78 -1.30 0.00 0.00 177.93 179.16 1x6a h GLY 20 N 0.65 0.84 0.00 5.26 0.00 -1.89 -3.04 103.07 104.89 1x6a h GLY 20 Ca 0.57 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1x6a h GLY 20 CO -0.42 -0.04 -0.02 0.00 0.00 0.00 0.00 176.54 176.06 1x6a n SER 22 N -0.88 -0.05 -4.90 0.00 7.64 0.16 -5.01 113.62 110.58 1x6a n SER 22 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1x6a n SER 22 Cb 0.00 -1.20 -0.00 0.00 -1.01 0.00 0.00 64.21 62.00 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 3.63 0.99 -3.43 1.43 -1.25 -4.71 118.68 115.34 1x6a s LEU 23 Ca 0.00 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 1x6a s LEU 23 Cb 0.00 -3.91 0.19 0.00 0.03 0.00 0.00 46.19 42.50 1x6a s LEU 23 CO 0.00 -0.57 1.09 -0.22 0.23 0.00 0.00 176.35 176.88 1x6a s LEU 24 N -4.68 2.04 0.13 1.79 2.96 -1.26 -0.82 118.68 118.84 1x6a s LEU 24 Ca 0.48 1.82 0.08 0.00 -0.22 0.00 0.00 54.13 56.29 1x6a s LEU 24 Cb -0.10 -4.05 -0.04 0.00 0.50 0.00 0.00 46.19 42.50 1x6a s LEU 24 CO 0.44 -3.38 -0.20 0.00 -1.32 0.00 0.00 176.35 171.89 1x6a s MET 25 N -4.64 1.17 0.00 1.98 0.23 -1.25 -4.62 119.30 112.17 1x6a s MET 25 Ca 0.67 -1.25 0.05 0.00 -1.03 0.00 0.00 55.69 54.12 1x6a s MET 25 Cb -0.22 -1.34 -0.01 0.00 -1.53 0.00 0.00 34.83 31.72 1x6a s MET 25 CO 0.60 0.30 0.37 0.25 -2.03 0.00 0.00 175.02 174.51 1x6a n THR 26 N 0.77 0.00 0.00 3.16 -2.24 -1.26 -4.96 114.28 109.75 1x6a n THR 26 Ca -0.17 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1x6a n THR 26 Cb 0.55 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.78 3.97 3.57 3.38 0.00 -1.26 -5.16 105.19 110.47 1x6a n GLY 27 Ca 0.02 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 4.40 -0.42 0.19 1.61 0.04 -1.26 -5.09 135.00 134.48 1x6a s PRO 28 Ca 0.00 0.62 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 1x6a s PRO 28 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 1x6a s PRO 28 CO 0.00 -3.33 0.18 -0.59 0.04 0.00 0.00 177.00 173.31 1x6a s PHE 29 N -2.71 0.94 -0.13 0.56 -0.12 -1.26 -4.39 117.98 110.87 1x6a s PHE 29 Ca 0.67 -1.22 0.01 0.00 -0.05 0.00 0.00 56.93 56.35 1x6a s PHE 29 Cb -0.22 -0.40 -0.01 0.00 -0.63 0.00 0.00 43.02 41.77 1x6a s PHE 29 CO 0.61 -0.68 -0.16 -1.64 -0.05 0.00 0.00 175.22 173.29 1x6a s MET 30 N -4.11 3.25 -0.16 1.99 -1.94 -0.32 -4.84 119.30 113.17 1x6a s MET 30 Ca 0.33 -0.75 -0.04 0.00 -1.71 0.00 0.00 55.69 53.52 1x6a s MET 30 Cb 0.06 -2.55 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1x6a s MET 30 CO 0.09 0.15 -0.04 0.08 -0.01 0.00 0.00 175.02 175.30 1x6a s VAL 31 N 0.48 3.87 -0.20 -6.03 1.01 -1.26 -2.09 120.40 116.17 1x6a s VAL 31 Ca -0.11 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.31 1x6a s VAL 31 Cb -0.16 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.57 1x6a s VAL 31 CO 0.05 0.49 0.56 0.00 0.00 0.00 0.00 175.10 176.19 1x6a s ALA 32 N 0.45 -1.39 -1.50 5.51 0.00 -1.25 -4.91 121.76 118.67 1x6a s ALA 32 Ca -0.04 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1x6a s ALA 32 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1x6a s ALA 32 CO 0.03 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1x6a n GLY 33 N 2.70 0.87 2.22 0.00 0.00 -1.26 -1.09 105.19 108.63 1x6a n GLY 33 Ca -0.14 0.00 -0.01 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 -2.25 -0.46 -2.69 1.61 -0.58 -1.26 -5.04 120.64 109.97 1x6a n GLU 34 Ca -0.16 0.22 -0.23 0.00 -0.42 0.00 0.00 57.16 56.57 1x6a n GLU 34 Cb 0.53 -3.64 0.11 0.00 -0.57 0.00 0.00 31.44 27.87 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 -1.83 1.36 -0.08 -0.32 0.08 -0.25 -5.12 117.98 111.81 1x6a s PHE 35 Ca 0.00 -0.43 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 1x6a s PHE 35 Cb 0.00 -2.83 0.02 0.00 -0.57 0.00 0.00 43.02 39.64 1x6a s PHE 35 CO 0.00 -1.69 -0.04 0.15 -0.10 0.00 0.00 175.22 173.54 1x6a s LYS 36 N -5.08 1.04 0.05 0.44 -0.14 -1.26 -3.91 119.74 110.89 1x6a s LYS 36 Ca 0.66 -0.09 0.03 0.00 -1.36 0.00 0.00 55.97 55.22 1x6a s LYS 36 Cb -0.05 -1.20 -0.03 0.00 -1.68 0.00 0.00 37.83 34.88 1x6a s LYS 36 CO 0.44 -0.24 -0.09 0.71 -0.76 0.00 0.00 175.35 175.41 1x6a s TYR 37 N 1.63 0.80 0.63 3.18 2.02 -0.89 -2.24 117.35 122.48 1x6a s TYR 37 Ca 0.01 -0.51 -0.18 0.00 -0.37 0.00 0.00 57.07 56.02 1x6a s TYR 37 Cb -0.13 -0.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.95 1x6a s TYR 37 CO -0.05 -0.06 1.28 -1.01 -1.57 0.00 0.00 175.55 174.14 1x6a s HIS 38 N -1.47 2.16 -1.44 2.71 3.76 -1.26 -1.17 115.29 118.57 1x6a s HIS 38 Ca -0.07 1.49 0.17 0.00 -0.15 0.00 0.00 55.06 56.50 1x6a s HIS 38 Cb -0.09 -3.65 0.87 0.00 1.11 0.00 0.00 32.58 30.82 1x6a s HIS 38 CO 0.01 -2.76 1.51 -0.35 -0.85 0.00 0.00 174.74 172.30 1x6a n PRO 39 N -1.81 0.25 -0.11 8.40 -0.04 -1.26 -1.79 135.00 138.65 1x6a n PRO 39 Ca 0.15 0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 1x6a n PRO 39 Cb 0.48 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.56 1x6a n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x6a n GLU 40 N -1.28 2.11 0.00 0.54 1.02 -1.26 -4.66 120.64 117.11 1x6a n GLU 40 Ca 0.08 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.95 1x6a n GLU 40 Cb 0.14 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.07 3.13 0.11 0.00 5.36 -1.19 -4.85 117.98 120.48 1x6a s PHE 42 Ca 0.00 0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 56.72 1x6a s PHE 42 Cb 0.00 -3.52 0.02 0.00 -0.34 0.00 0.00 43.02 39.18 1x6a s PHE 42 CO 0.00 -0.73 0.34 0.00 -1.46 0.00 0.00 175.22 173.37 1x6a s ALA 43 N 3.36 -0.73 0.02 11.12 0.00 -1.26 -0.42 121.76 133.84 1x6a s ALA 43 Ca 0.38 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 1x6a s ALA 43 Cb -0.13 0.63 -0.07 0.00 0.00 0.00 0.00 23.12 23.56 1x6a s ALA 43 CO 0.16 -0.60 1.61 0.00 0.00 0.00 0.00 175.76 176.93 1x6a h MET 45 N 8.67 -0.51 -0.27 0.00 4.05 -0.94 0.39 114.93 126.33 1x6a h MET 45 Ca -0.41 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.09 1x6a h MET 45 Cb 1.19 0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 32.03 1x6a h MET 45 CO 0.93 -0.34 -0.52 1.03 0.23 0.00 0.00 176.91 178.25 1x6a h SER 46 N -0.53 -1.67 0.41 1.39 0.87 -1.90 -2.81 113.55 109.32 1x6a h SER 46 Ca -0.02 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1x6a h SER 46 Cb 0.46 0.68 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1x6a h SER 46 CO -0.00 -0.44 -0.54 0.00 -0.53 0.00 0.00 176.83 175.32 1x6a n LYS 48 N -1.42 0.00 -2.30 0.00 4.76 0.14 -4.97 118.16 114.36 1x6a n LYS 48 Ca 0.06 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.12 1x6a n LYS 48 Cb 0.34 -4.05 -0.02 0.00 -1.84 0.00 0.00 35.03 29.45 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 -1.66 3.17 0.44 -0.18 0.11 -1.25 -4.68 120.40 116.35 1x6a s VAL 49 Ca 0.00 0.99 -0.25 0.00 -2.93 0.00 0.00 61.98 59.80 1x6a s VAL 49 Cb 0.00 -3.56 -0.08 0.00 -1.53 0.00 0.00 36.38 31.21 1x6a s VAL 49 CO 0.00 0.10 1.28 -0.63 -3.33 0.00 0.00 175.10 172.51 1x6a s ILE 50 N -1.41 2.66 -0.05 7.04 -1.09 -1.26 -1.24 121.20 125.85 1x6a s ILE 50 Ca 0.56 0.55 0.04 0.00 -2.23 0.00 0.00 60.65 59.58 1x6a s ILE 50 Cb -0.31 -3.31 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 1x6a s ILE 50 CO 0.39 0.05 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.36 1x6a s ILE 51 N -1.33 2.96 0.41 2.92 1.01 0.44 -4.83 121.20 122.78 1x6a s ILE 51 Ca 0.61 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1x6a s ILE 51 Cb -0.36 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 1x6a s ILE 51 CO 0.45 0.59 0.08 -1.61 0.00 0.00 0.00 174.94 174.45 1x6a s GLU 52 N -0.69 1.93 -0.06 2.79 2.02 -1.26 -4.60 118.70 118.81 1x6a s GLU 52 Ca 0.11 -2.16 -0.06 0.00 0.02 0.00 0.00 54.97 52.88 1x6a s GLU 52 Cb -0.11 -0.93 -0.22 0.00 0.10 0.00 0.00 34.13 32.97 1x6a s GLU 52 CO 0.00 -0.36 3.51 -3.47 0.02 0.00 0.00 175.26 174.96 1x6a n ASP 53 N -1.14 5.41 0.00 -0.19 -0.08 -1.26 -2.20 116.55 117.09 1x6a n ASP 53 Ca -0.08 -2.58 0.00 0.00 -1.51 0.00 0.00 54.79 50.62 1x6a n ASP 53 Cb 0.66 -1.39 0.00 0.00 2.34 0.00 0.00 41.12 42.73 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 2.27 0.87 0.00 0.27 0.00 -1.26 -5.12 105.19 102.22 1x6a n GLY 54 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1x6a n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x6a n ASP 55 N 0.00 0.00 -3.85 1.61 -0.08 -0.93 -5.14 116.55 108.16 1x6a n ASP 55 Ca 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.16 1x6a n ASP 55 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 1x6a n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x6a s ALA 56 N -3.33 -0.27 0.17 -1.67 0.00 -1.26 -4.99 121.76 110.40 1x6a s ALA 56 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.08 1x6a s ALA 56 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 1x6a s ALA 56 CO 0.00 -0.10 0.22 1.52 0.00 0.00 0.00 175.76 177.40 1x6a s TYR 57 N -0.34 0.66 -0.13 0.00 1.13 -1.26 -0.57 117.35 116.84 1x6a s TYR 57 Ca -0.04 -1.00 -0.05 0.00 -1.41 0.00 0.00 57.07 54.56 1x6a s TYR 57 Cb -0.03 -0.24 0.06 0.00 -1.10 0.00 0.00 41.96 40.65 1x6a s TYR 57 CO 0.00 -0.68 0.28 0.00 -2.51 0.00 0.00 175.55 172.64 1x6a s ALA 58 N -4.03 -0.64 0.18 9.51 0.00 -1.20 -4.79 121.76 120.79 1x6a s ALA 58 Ca 0.24 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 1x6a s ALA 58 Cb 0.05 -0.87 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 1x6a s ALA 58 CO 0.04 -0.43 0.59 -0.51 0.00 0.00 0.00 175.76 175.44 1x6a s LEU 59 N 1.86 4.29 0.17 0.00 2.01 -1.26 -3.92 118.68 121.84 1x6a s LEU 59 Ca -0.04 1.12 0.06 0.00 0.01 0.00 0.00 54.13 55.27 1x6a s LEU 59 Cb -0.11 -3.44 -0.05 0.00 0.01 0.00 0.00 46.19 42.61 1x6a s LEU 59 CO -0.09 0.04 -0.11 -0.69 1.01 0.00 0.00 176.35 176.51 1x6a s VAL 60 N -1.56 1.37 0.12 -1.59 1.01 -1.26 -5.07 120.40 113.42 1x6a s VAL 60 Ca 0.41 -2.12 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 1x6a s VAL 60 Cb -0.14 -1.94 -0.08 0.00 0.00 0.00 0.00 36.38 34.21 1x6a s VAL 60 CO 0.20 -0.67 1.59 1.56 0.00 0.00 0.00 175.10 177.77 1x6a h GLN 61 N 2.68 -0.56 -7.03 2.72 7.50 -1.99 -3.42 115.11 115.03 1x6a h GLN 61 Ca -0.37 0.04 -0.52 0.00 0.50 0.00 0.00 58.65 58.30 1x6a h GLN 61 Cb 1.20 0.13 0.09 0.00 0.05 0.00 0.00 27.48 28.95 1x6a h GLN 61 CO 0.63 -0.37 0.51 -1.01 -1.50 0.00 0.00 178.83 177.09 1x6a s HIS 62 N -5.92 2.66 -0.70 2.96 3.76 -1.26 -4.87 115.29 111.91 1x6a s HIS 62 Ca -0.16 1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 56.16 1x6a s HIS 62 Cb 0.08 -3.50 -0.07 0.00 1.11 0.00 0.00 32.58 30.20 1x6a s HIS 62 CO 0.64 -1.95 1.87 0.00 -0.85 0.00 0.00 174.74 174.44 1x6a n ALA 63 N -0.80 3.68 -3.22 -1.40 0.00 -1.26 -4.81 120.51 112.70 1x6a n ALA 63 Ca 0.09 -1.90 -0.14 0.00 0.00 0.00 0.00 53.44 51.49 1x6a n ALA 63 Cb 0.48 -3.05 -0.15 0.00 0.00 0.00 0.00 19.45 16.73 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 4.09 0.05 -0.09 0.00 2.01 -1.26 -5.14 115.64 115.30 1x6a s THR 64 Ca 0.37 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1x6a s THR 64 Cb 0.09 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.48 1x6a s THR 64 CO 0.01 0.06 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.74 1x6a s LEU 65 N 0.42 3.35 0.16 4.42 2.96 -1.26 -4.22 118.68 124.51 1x6a s LEU 65 Ca -0.04 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1x6a s LEU 65 Cb -0.06 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1x6a s LEU 65 CO -0.01 0.35 -0.03 -0.31 -1.32 0.00 0.00 176.35 175.03 1x6a s TYR 66 N -0.70 1.21 0.43 5.38 2.02 -1.25 -0.22 117.35 124.22 1x6a s TYR 66 Ca 0.11 -0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 55.85 1x6a s TYR 66 Cb -0.11 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.75 1x6a s TYR 66 CO 0.02 -0.13 0.66 0.00 -1.57 0.00 0.00 175.55 174.53 1x6a h GLY 68 N 0.45 0.51 0.82 0.00 0.00 -1.15 0.23 103.07 103.94 1x6a h GLY 68 Ca -0.47 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1x6a h GLY 68 CO 0.59 -0.25 -0.09 0.50 0.00 0.00 0.00 176.54 177.29 1x6a h LYS 69 N 0.01 -0.24 -0.72 4.80 1.57 -1.95 -1.53 116.57 118.52 1x6a h LYS 69 Ca 0.32 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.18 1x6a h LYS 69 Cb 0.50 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.81 1x6a h LYS 69 CO -0.67 -0.02 0.41 0.00 -0.57 0.00 0.00 179.45 178.60 1x6a h HIS 71 N 0.74 0.81 0.00 0.00 -0.00 -0.53 -1.62 115.15 114.55 1x6a h HIS 71 Ca 0.33 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 1x6a h HIS 71 Cb 0.21 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1x6a h HIS 71 CO -0.07 0.93 0.00 -1.71 -0.00 0.00 0.00 177.93 177.08 1x6a n ASN 72 N -4.07 0.26 -0.13 3.26 5.15 -0.58 -1.84 115.26 117.31 1x6a n ASN 72 Ca -0.01 0.60 -0.24 0.00 -0.60 0.00 0.00 54.58 54.33 1x6a n ASN 72 Cb 0.49 -0.64 -0.11 0.00 -0.53 0.00 0.00 39.78 38.98 1x6a n ASN 72 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1x6a n GLU 73 N -1.83 0.61 0.30 1.20 2.13 -0.92 -4.49 120.64 117.63 1x6a n GLU 73 Ca 0.00 0.21 0.18 0.00 0.66 0.00 0.00 57.16 58.21 1x6a n GLU 73 Cb 0.07 -1.50 1.00 0.00 0.27 0.00 0.00 31.44 31.28 1x6a n GLU 73 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1x6a h VAL 74 N -0.55 0.33 0.00 6.31 3.04 -0.61 -0.99 116.25 123.78 1x6a h VAL 74 Ca -0.65 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1x6a h VAL 74 Cb 1.74 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 1x6a h VAL 74 CO -0.28 0.00 0.00 1.33 -1.01 0.00 0.00 177.57 177.61 1x6a n VAL 75 N -3.55 0.94 -2.33 1.51 0.24 -0.76 -4.76 118.33 109.62 1x6a n VAL 75 Ca -0.02 0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 62.14 1x6a n VAL 75 Cb 0.13 -1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 31.38 1x6a n VAL 75 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x6a s SER 76 N -3.58 6.72 0.87 -1.34 0.15 -0.38 -5.03 113.70 111.12 1x6a s SER 76 Ca 0.05 2.35 -0.11 0.00 0.70 0.00 0.00 55.95 58.94 1x6a s SER 76 Cb 0.09 -2.62 0.11 0.00 -1.71 0.00 0.00 66.02 61.90 1x6a s SER 76 CO 0.32 -0.54 1.10 -0.83 1.20 0.00 0.00 173.24 174.49 1x6a s GLY 77 N -1.04 1.65 0.78 9.45 0.00 -1.26 -5.00 107.32 111.91 1x6a s GLY 77 Ca 0.54 0.23 -0.11 0.00 0.00 0.00 0.00 44.72 45.38 1x6a s GLY 77 CO 0.40 0.66 1.09 2.56 0.00 0.00 0.00 173.10 177.81 1x6a s PRO 78 N -4.82 2.16 0.40 2.90 0.04 -1.26 -5.04 135.00 129.38 1x6a s PRO 78 Ca 0.64 1.12 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 1x6a s PRO 78 Cb -0.19 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1x6a s PRO 78 CO 0.57 -1.70 0.79 -1.12 0.04 0.00 0.00 177.00 175.59 1x6a s SER 79 N -3.42 6.61 1.08 6.66 0.01 -1.26 -5.08 113.70 118.30 1x6a s SER 79 Ca 0.61 1.24 -0.15 0.00 1.31 0.00 0.00 55.95 58.96 1x6a s SER 79 Cb -0.17 -2.36 0.23 0.00 0.21 0.00 0.00 66.02 63.92 1x6a s SER 79 CO 0.56 -0.37 1.11 -0.55 0.41 0.00 0.00 173.24 174.40 1x6a s SER 80 N -2.89 1.99 0.00 2.44 0.15 -1.26 -5.34 113.70 108.79 1x6a s SER 80 Ca 0.53 0.91 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1x6a s SER 80 Cb -0.10 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 1x6a s SER 80 CO 0.27 -3.49 0.00 0.61 1.20 0.00 0.00 173.24 171.83