#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 5.32 -0.08 1.61 0.01 -1.26 -5.14 113.70 114.16 1x6a s SER 2 Ca 0.00 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 56.60 1x6a s SER 2 Cb 0.00 -1.24 0.07 0.00 0.21 0.00 0.00 66.02 65.06 1x6a s SER 2 CO 0.00 -0.08 0.69 -0.44 0.41 0.00 0.00 173.24 173.81 1x6a s SER 3 N -3.84 -0.67 -0.05 2.44 0.01 -1.26 -5.18 113.70 105.15 1x6a s SER 3 Ca 0.34 0.82 -0.30 0.00 1.31 0.00 0.00 55.95 58.11 1x6a s SER 3 Cb -0.07 0.67 0.08 0.00 0.21 0.00 0.00 66.02 66.90 1x6a s SER 3 CO 0.24 -0.56 0.72 -0.83 0.41 0.00 0.00 173.24 173.22 1x6a s GLY 4 N -0.98 -0.54 -0.31 3.44 0.00 -1.26 -5.08 107.32 102.60 1x6a s GLY 4 Ca -0.09 1.37 0.18 0.00 0.00 0.00 0.00 44.72 46.17 1x6a s GLY 4 CO 0.09 0.92 1.27 -1.14 0.00 0.00 0.00 173.10 174.24 1x6a n SER 5 N 0.80 0.18 -4.68 1.64 3.41 -1.26 -5.12 113.62 108.60 1x6a n SER 5 Ca -0.18 -2.20 -0.45 0.00 -0.26 0.00 0.00 58.87 55.78 1x6a n SER 5 Cb 0.58 0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1x6a n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x6a n SER 6 N -0.88 3.33 0.00 4.04 3.41 -1.26 -4.70 113.62 117.56 1x6a n SER 6 Ca -0.02 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1x6a n SER 6 Cb 0.83 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 1x6a n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6a n GLY 7 N 3.67 0.90 3.16 5.00 0.00 -1.26 -4.90 105.19 111.77 1x6a n GLY 7 Ca 0.18 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1x6a n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6a s LYS 8 N 0.00 0.83 -0.40 1.61 1.02 -1.26 -5.09 119.74 116.45 1x6a s LYS 8 Ca 0.00 -1.25 -0.28 0.00 0.02 0.00 0.00 55.97 54.46 1x6a s LYS 8 Cb 0.00 0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1x6a s LYS 8 CO 0.00 -0.23 1.97 -0.51 -0.92 0.00 0.00 175.35 175.66 1x6a s ASP 9 N -2.96 5.46 0.00 2.83 1.11 -1.26 -4.13 116.67 117.71 1x6a s ASP 9 Ca 0.14 1.13 0.00 0.00 0.18 0.00 0.00 52.55 54.01 1x6a s ASP 9 Cb 0.07 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.54 1x6a s ASP 9 CO -0.05 -2.08 0.00 0.00 1.18 0.00 0.00 175.17 174.22 1x6a n TYR 10 N 11.92 -1.96 -1.82 4.23 9.36 -1.26 -5.11 117.16 132.52 1x6a n TYR 10 Ca 0.25 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 61.06 1x6a n TYR 10 Cb 0.49 0.39 -0.03 0.00 -0.63 0.00 0.00 39.34 39.56 1x6a n TYR 10 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1x6a s TRP 11 N -1.96 1.50 0.00 2.98 0.52 -1.26 -4.93 118.94 115.79 1x6a s TRP 11 Ca 0.00 0.71 0.00 0.00 0.02 0.00 0.00 56.10 56.83 1x6a s TRP 11 Cb 0.00 -4.00 0.00 0.00 -1.15 0.00 0.00 33.47 28.32 1x6a s TRP 11 CO 0.00 -3.25 0.04 0.41 0.02 0.00 0.00 176.95 174.17 1x6a n GLY 12 N 5.62 0.62 0.00 0.98 0.00 -1.26 -5.09 105.19 106.07 1x6a n GLY 12 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1x6a n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x6a n LYS 13 N -0.15 0.00 0.01 1.61 -0.00 -1.26 -5.13 118.16 113.25 1x6a n LYS 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1x6a n LYS 13 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1x6a n LYS 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1x6a n PHE 14 N -0.26 -0.03 -2.04 5.58 -0.00 -1.26 -5.13 117.46 114.32 1x6a n PHE 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1x6a n PHE 14 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 39.48 39.50 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 3.42 4.87 3.82 7.13 0.00 -1.26 -5.13 105.19 118.03 1x6a n GLY 15 Ca 0.00 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 2.21 4.05 0.11 1.61 8.01 -1.26 -5.03 118.70 128.39 1x6a s GLU 16 Ca 0.00 1.17 0.07 0.00 0.01 0.00 0.00 54.97 56.22 1x6a s GLU 16 Cb 0.00 -2.15 -0.03 0.00 -4.31 0.00 0.00 34.13 27.64 1x6a s GLU 16 CO 0.00 -0.20 -0.18 -0.06 0.01 0.00 0.00 175.26 174.84 1x6a s PHE 17 N -2.19 1.57 -0.53 1.61 0.40 -1.26 -3.24 117.98 114.34 1x6a s PHE 17 Ca 0.63 -0.46 -0.27 0.00 -0.60 0.00 0.00 56.93 56.23 1x6a s PHE 17 Cb -0.11 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.56 1x6a s PHE 17 CO 0.18 0.17 1.65 0.00 0.70 0.00 0.00 175.22 177.92 1x6a h HIS 19 N 12.79 -1.71 -0.66 0.00 2.76 -1.29 0.16 115.15 127.20 1x6a h HIS 19 Ca -0.28 0.12 0.15 0.00 -2.20 0.00 0.00 60.37 58.16 1x6a h HIS 19 Cb 1.13 0.87 -0.04 0.00 1.55 0.00 0.00 27.41 30.93 1x6a h HIS 19 CO 1.02 -0.39 0.45 0.78 -1.30 0.00 0.00 177.93 178.49 1x6a h GLY 20 N -0.04 0.41 0.00 5.26 0.00 -1.90 -3.17 103.07 103.64 1x6a h GLY 20 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1x6a h GLY 20 CO -0.92 0.04 -0.61 0.00 0.00 0.00 0.00 176.54 175.05 1x6a n SER 22 N -1.33 -2.74 -4.04 0.00 2.88 0.44 -5.02 113.62 103.80 1x6a n SER 22 Ca 0.01 -0.44 -0.13 0.00 -1.33 0.00 0.00 58.87 56.97 1x6a n SER 22 Cb 0.13 -3.89 -0.12 0.00 -0.75 0.00 0.00 64.21 59.58 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 -5.30 2.22 0.76 2.46 1.43 -1.25 -4.95 118.68 114.04 1x6a s LEU 23 Ca 0.10 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 1x6a s LEU 23 Cb -0.04 -0.17 0.06 0.00 0.03 0.00 0.00 46.19 46.06 1x6a s LEU 23 CO 0.54 -0.17 1.17 -0.22 0.23 0.00 0.00 176.35 177.89 1x6a s LEU 24 N -1.36 3.20 0.03 1.79 2.96 -1.26 -0.51 118.68 123.52 1x6a s LEU 24 Ca -0.08 2.21 0.09 0.00 -0.22 0.00 0.00 54.13 56.12 1x6a s LEU 24 Cb -0.09 -4.57 -0.03 0.00 0.50 0.00 0.00 46.19 42.00 1x6a s LEU 24 CO 0.00 -2.31 -0.25 0.00 -1.32 0.00 0.00 176.35 172.48 1x6a s MET 25 N -4.20 1.91 -0.03 1.98 0.23 -1.20 -4.75 119.30 113.24 1x6a s MET 25 Ca 0.70 -1.05 0.03 0.00 -1.03 0.00 0.00 55.69 54.34 1x6a s MET 25 Cb -0.25 -2.03 -0.05 0.00 -1.53 0.00 0.00 34.83 30.97 1x6a s MET 25 CO 0.48 0.53 0.03 0.25 -2.03 0.00 0.00 175.02 174.28 1x6a n THR 26 N 1.87 0.22 -3.68 3.16 -2.24 -1.26 -4.89 114.28 107.46 1x6a n THR 26 Ca -0.17 -0.15 -0.24 0.00 -2.27 0.00 0.00 64.05 61.22 1x6a n THR 26 Cb 0.52 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1x6a n THR 26 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1x6a s GLY 27 N -3.30 2.22 1.10 3.38 0.00 -1.26 -5.13 107.32 104.32 1x6a s GLY 27 Ca -0.02 -1.53 -0.13 0.00 0.00 0.00 0.00 44.72 43.05 1x6a s GLY 27 CO 0.16 -1.86 1.06 2.56 0.00 0.00 0.00 173.10 175.02 1x6a s PRO 28 N -4.33 -0.36 0.28 2.90 0.04 -1.26 -5.00 135.00 127.28 1x6a s PRO 28 Ca 0.41 0.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.04 1x6a s PRO 28 Cb -0.03 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.88 1x6a s PRO 28 CO 0.25 -3.30 0.46 -0.59 0.04 0.00 0.00 177.00 173.86 1x6a s PHE 29 N -2.69 0.65 0.21 0.56 -0.71 -1.26 -4.35 117.98 110.38 1x6a s PHE 29 Ca 0.67 -0.98 0.08 0.00 -1.04 0.00 0.00 56.93 55.67 1x6a s PHE 29 Cb -0.22 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1x6a s PHE 29 CO 0.61 -1.04 -0.01 -1.64 -1.34 0.00 0.00 175.22 171.80 1x6a s MET 30 N -3.62 2.32 -0.12 1.99 -1.94 -1.26 -5.05 119.30 111.61 1x6a s MET 30 Ca 0.26 -1.23 0.02 0.00 -1.71 0.00 0.00 55.69 53.03 1x6a s MET 30 Cb -0.00 -2.27 -0.01 0.00 2.01 0.00 0.00 34.83 34.57 1x6a s MET 30 CO 0.13 0.42 -0.18 0.08 -0.01 0.00 0.00 175.02 175.46 1x6a s VAL 31 N -1.91 2.56 -0.01 -6.03 1.01 -1.26 -4.45 120.40 110.31 1x6a s VAL 31 Ca 0.28 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1x6a s VAL 31 Cb -0.08 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 34.31 1x6a s VAL 31 CO 0.18 0.54 0.56 0.00 0.00 0.00 0.00 175.10 176.38 1x6a s ALA 32 N 0.46 -1.44 -1.26 5.51 0.00 -1.25 -4.94 121.76 118.84 1x6a s ALA 32 Ca -0.13 0.89 -0.06 0.00 0.00 0.00 0.00 51.96 52.66 1x6a s ALA 32 Cb -0.17 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.15 1x6a s ALA 32 CO 0.05 -0.40 0.38 0.41 0.00 0.00 0.00 175.76 176.20 1x6a n GLY 33 N 0.80 -0.49 2.49 0.00 0.00 -1.26 -2.36 105.19 104.38 1x6a n GLY 33 Ca -0.19 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.53 -1.78 -4.54 1.61 0.28 -1.26 -4.94 120.64 106.47 1x6a n GLU 34 Ca -0.07 0.50 -0.25 0.00 -0.16 0.00 0.00 57.16 57.18 1x6a n GLU 34 Cb 0.57 -4.48 -0.11 0.00 1.43 0.00 0.00 31.44 28.85 1x6a n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1x6a s PHE 35 N -1.16 2.30 -0.18 -1.84 0.08 -0.99 -5.15 117.98 111.04 1x6a s PHE 35 Ca 0.00 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.33 1x6a s PHE 35 Cb 0.00 -1.50 -0.00 0.00 -0.57 0.00 0.00 43.02 40.94 1x6a s PHE 35 CO 0.00 0.36 -0.11 0.15 -0.10 0.00 0.00 175.22 175.52 1x6a s LYS 36 N -3.73 3.27 0.21 0.44 1.02 -1.26 -3.93 119.74 115.75 1x6a s LYS 36 Ca 0.34 -0.70 0.07 0.00 0.02 0.00 0.00 55.97 55.70 1x6a s LYS 36 Cb 0.07 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 1x6a s LYS 36 CO 0.16 -0.09 -0.13 0.71 -0.92 0.00 0.00 175.35 175.09 1x6a s TYR 37 N 1.12 1.69 0.68 3.18 2.02 -1.26 -0.81 117.35 123.97 1x6a s TYR 37 Ca 0.01 -0.61 -0.14 0.00 -0.37 0.00 0.00 57.07 55.96 1x6a s TYR 37 Cb -0.14 -0.81 0.01 0.00 -0.40 0.00 0.00 41.96 40.61 1x6a s TYR 37 CO -0.03 0.32 1.10 -1.01 -1.57 0.00 0.00 175.55 174.36 1x6a s HIS 38 N -3.02 2.68 -1.36 2.71 3.76 -1.26 -4.49 115.29 114.31 1x6a s HIS 38 Ca 0.23 1.54 0.11 0.00 -0.15 0.00 0.00 55.06 56.79 1x6a s HIS 38 Cb 0.00 -3.11 0.56 0.00 1.11 0.00 0.00 32.58 31.15 1x6a s HIS 38 CO 0.07 -1.63 1.28 -0.35 -0.85 0.00 0.00 174.74 173.26 1x6a n PRO 39 N -2.68 0.14 -0.06 8.40 -0.04 -1.26 -1.30 135.00 138.19 1x6a n PRO 39 Ca 0.10 0.20 0.02 0.00 -0.04 0.00 0.00 63.50 63.78 1x6a n PRO 39 Cb 0.52 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.32 2.71 -2.80 0.54 1.02 -1.26 -4.68 120.64 114.85 1x6a n GLU 40 Ca 0.05 -1.64 -0.01 0.00 -0.02 0.00 0.00 57.16 55.54 1x6a n GLU 40 Cb 0.10 -1.10 0.06 0.00 -0.02 0.00 0.00 31.44 30.48 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 -3.07 2.40 0.12 0.00 5.36 -1.21 -4.51 117.98 117.07 1x6a s PHE 42 Ca 0.24 -2.70 -0.05 0.00 -0.96 0.00 0.00 56.93 53.46 1x6a s PHE 42 Cb 0.35 -2.16 -0.02 0.00 -0.34 0.00 0.00 43.02 40.85 1x6a s PHE 42 CO -0.05 -0.75 0.13 0.00 -1.46 0.00 0.00 175.22 173.09 1x6a s ALA 43 N 0.01 0.36 0.05 11.12 0.00 -1.26 -0.51 121.76 131.53 1x6a s ALA 43 Ca 0.19 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 1x6a s ALA 43 Cb -0.22 0.68 -0.08 0.00 0.00 0.00 0.00 23.12 23.51 1x6a s ALA 43 CO -0.02 -0.51 1.72 0.00 0.00 0.00 0.00 175.76 176.95 1x6a h MET 45 N 8.90 0.98 0.00 0.00 4.05 -1.36 0.46 114.93 127.95 1x6a h MET 45 Ca -0.43 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.93 1x6a h MET 45 Cb 1.20 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1x6a h MET 45 CO 0.94 0.65 0.00 1.03 0.23 0.00 0.00 176.91 179.75 1x6a h SER 46 N 1.00 0.00 0.00 1.39 0.87 -1.90 -3.37 113.55 111.55 1x6a h SER 46 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1x6a h SER 46 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1x6a h SER 46 CO -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.16 1x6a n LYS 48 N -0.13 -0.60 -2.21 0.00 4.01 0.15 -4.95 118.16 114.44 1x6a n LYS 48 Ca 0.00 0.15 -0.42 0.00 -0.51 0.00 0.00 58.31 57.53 1x6a n LYS 48 Cb 0.08 -4.40 -0.03 0.00 -0.51 0.00 0.00 35.03 30.18 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 -1.32 3.31 0.35 -0.18 0.11 -1.26 -4.68 120.40 116.72 1x6a s VAL 49 Ca 0.00 1.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.76 1x6a s VAL 49 Cb 0.00 -3.64 -0.11 0.00 -1.53 0.00 0.00 36.38 31.10 1x6a s VAL 49 CO 0.00 0.11 1.52 -0.63 -3.33 0.00 0.00 175.10 172.77 1x6a s ILE 50 N 0.64 2.08 -0.23 7.04 -1.09 -1.26 -2.22 121.20 126.16 1x6a s ILE 50 Ca 0.61 0.08 -0.09 0.00 -2.23 0.00 0.00 60.65 59.02 1x6a s ILE 50 Cb -0.36 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 1x6a s ILE 50 CO 0.34 0.02 0.11 -0.63 -1.23 0.00 0.00 174.94 173.55 1x6a s ILE 51 N -0.74 4.88 0.46 2.92 1.01 0.34 -4.92 121.20 125.14 1x6a s ILE 51 Ca 0.56 0.01 0.05 0.00 0.00 0.00 0.00 60.65 61.28 1x6a s ILE 51 Cb -0.47 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1x6a s ILE 51 CO 0.58 0.36 0.13 -1.61 0.00 0.00 0.00 174.94 174.39 1x6a s GLU 52 N 1.16 2.16 -0.85 2.79 0.41 -1.26 -4.82 118.70 118.29 1x6a s GLU 52 Ca 0.06 -2.07 -0.25 0.00 -0.41 0.00 0.00 54.97 52.29 1x6a s GLU 52 Cb -0.14 -1.80 -0.02 0.00 -1.78 0.00 0.00 34.13 30.38 1x6a s GLU 52 CO 0.04 -0.23 1.81 0.34 -0.49 0.00 0.00 175.26 176.74 1x6a s ASP 53 N -3.90 5.44 0.00 -0.19 2.15 -1.26 -1.87 116.67 117.04 1x6a s ASP 53 Ca 0.30 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.70 1x6a s ASP 53 Cb 0.04 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1x6a s ASP 53 CO 0.16 -2.42 0.00 0.61 -0.17 0.00 0.00 175.17 173.35 1x6a n GLY 54 N 6.54 0.93 3.83 2.66 0.00 -1.26 -5.13 105.19 112.76 1x6a n GLY 54 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 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 6.92 -0.25 1.61 -1.08 -0.78 -5.03 116.67 118.06 1x6a s ASP 55 Ca 0.00 1.26 -0.26 0.00 -0.52 0.00 0.00 52.55 53.03 1x6a s ASP 55 Cb 0.00 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1x6a s ASP 55 CO 0.00 0.02 0.92 0.00 0.52 0.00 0.00 175.17 176.62 1x6a s ALA 56 N -1.58 3.64 0.41 3.66 0.00 -1.26 -4.73 121.76 121.89 1x6a s ALA 56 Ca 0.43 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.36 1x6a s ALA 56 Cb -0.15 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1x6a s ALA 56 CO 0.20 -1.05 0.60 1.52 0.00 0.00 0.00 175.76 177.03 1x6a s TYR 57 N 3.05 3.18 -0.23 0.00 1.13 -1.26 -0.82 117.35 122.41 1x6a s TYR 57 Ca 0.38 0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 56.08 1x6a s TYR 57 Cb -0.15 -2.20 0.11 0.00 -1.10 0.00 0.00 41.96 38.63 1x6a s TYR 57 CO 0.08 -0.23 0.29 0.00 -2.51 0.00 0.00 175.55 173.18 1x6a s ALA 58 N -2.42 -0.64 0.07 9.51 0.00 -0.21 -4.42 121.76 123.66 1x6a s ALA 58 Ca 0.47 0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.68 1x6a s ALA 58 Cb -0.10 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 1x6a s ALA 58 CO 0.35 -1.26 0.80 -1.17 0.00 0.00 0.00 175.76 174.48 1x6a s LEU 59 N 2.42 4.48 -0.08 0.00 1.98 -1.26 -0.63 118.68 125.58 1x6a s LEU 59 Ca 0.10 1.53 0.01 0.00 -2.89 0.00 0.00 54.13 52.87 1x6a s LEU 59 Cb -0.15 -3.29 0.02 0.00 0.66 0.00 0.00 46.19 43.42 1x6a s LEU 59 CO -0.15 0.03 -0.09 -0.69 -1.89 0.00 0.00 176.35 173.57 1x6a s VAL 60 N -0.22 0.99 -1.24 1.68 1.01 -0.61 -4.88 120.40 117.13 1x6a s VAL 60 Ca 0.39 -0.34 -0.09 0.00 0.00 0.00 0.00 61.98 61.95 1x6a s VAL 60 Cb -0.21 -0.96 0.09 0.00 0.00 0.00 0.00 36.38 35.30 1x6a s VAL 60 CO 0.24 0.34 0.23 0.00 0.00 0.00 0.00 175.10 175.91 1x6a n GLN 61 N 4.33 -0.87 -3.65 2.72 6.02 -1.26 -1.72 117.38 122.96 1x6a n GLN 61 Ca -0.19 0.08 -0.25 0.00 -0.01 0.00 0.00 57.00 56.63 1x6a n GLN 61 Cb 0.51 -3.01 -0.05 0.00 1.02 0.00 0.00 30.24 28.71 1x6a n GLN 61 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1x6a n HIS 62 N -3.30 -1.41 -0.15 1.08 1.44 -1.26 -4.65 115.22 106.98 1x6a n HIS 62 Ca -0.06 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 1x6a n HIS 62 Cb 0.41 -1.46 0.00 0.00 0.12 0.00 0.00 29.99 29.05 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 -3.32 0.00 -2.64 1.59 0.00 -0.70 -5.12 120.51 110.32 1x6a n ALA 63 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1x6a n ALA 63 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 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 0.13 -0.03 0.00 2.01 -0.76 -5.05 115.64 111.94 1x6a s THR 64 Ca 0.00 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 60.96 1x6a s THR 64 Cb 0.00 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1x6a s THR 64 CO 0.00 -0.59 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.02 1x6a s LEU 65 N -2.84 1.82 0.34 4.42 2.96 -1.26 -1.57 118.68 122.55 1x6a s LEU 65 Ca 0.04 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1x6a s LEU 65 Cb 0.04 -0.60 -0.04 0.00 0.50 0.00 0.00 46.19 46.10 1x6a s LEU 65 CO -0.11 0.08 0.15 -0.31 -1.32 0.00 0.00 176.35 174.84 1x6a s TYR 66 N 0.14 1.70 0.17 5.38 2.02 0.19 -0.87 117.35 126.07 1x6a s TYR 66 Ca -0.03 -1.32 -0.01 0.00 -0.37 0.00 0.00 57.07 55.34 1x6a s TYR 66 Cb -0.08 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1x6a s TYR 66 CO 0.01 -0.43 0.36 0.00 -1.57 0.00 0.00 175.55 173.92 1x6a h GLY 68 N 2.29 1.30 2.00 0.00 0.00 -1.19 0.14 103.07 107.61 1x6a h GLY 68 Ca -0.47 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.33 1x6a h GLY 68 CO 0.70 0.45 -0.24 0.50 0.00 0.00 0.00 176.54 177.95 1x6a h LYS 69 N 1.22 0.00 0.01 4.80 1.57 -1.96 -1.43 116.57 120.79 1x6a h LYS 69 Ca 0.34 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.79 1x6a h LYS 69 Cb -0.11 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 1x6a h LYS 69 CO -0.08 0.24 -1.99 0.00 -0.57 0.00 0.00 179.45 177.04 1x6a h HIS 71 N 0.01 0.00 -0.57 0.00 -0.00 -0.57 -2.63 115.15 111.38 1x6a h HIS 71 Ca -0.40 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.03 1x6a h HIS 71 Cb 2.08 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 29.46 1x6a h HIS 71 CO 0.01 0.26 0.38 -0.97 -0.00 0.00 0.00 177.93 177.61 1x6a h ASN 72 N 0.00 0.47 -0.04 3.26 -0.73 -1.37 -1.38 115.58 115.79 1x6a h ASN 72 Ca -0.00 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.18 1x6a h ASN 72 Cb 0.66 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.15 1x6a h ASN 72 CO 0.03 0.31 0.03 -0.08 -0.37 0.00 0.00 177.43 177.35 1x6a h GLU 73 N 0.54 0.00 -0.02 6.67 4.57 -1.63 -1.19 114.58 123.53 1x6a h GLU 73 Ca 0.25 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1x6a h GLU 73 Cb 0.28 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1x6a h GLU 73 CO -0.07 0.00 -0.02 0.28 -1.18 0.00 0.00 179.01 178.03 1x6a h VAL 74 N 0.00 1.39 0.00 0.32 2.07 -1.41 -3.19 116.25 115.43 1x6a h VAL 74 Ca 0.02 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1x6a h VAL 74 Cb 0.07 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1x6a h VAL 74 CO -0.00 0.31 0.00 -0.37 0.02 0.00 0.00 177.57 177.53 1x6a h VAL 75 N -0.44 0.00 0.00 2.57 -1.51 -1.51 -3.30 116.25 112.06 1x6a h VAL 75 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1x6a h VAL 75 Cb 0.51 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1x6a h VAL 75 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 177.57 176.10 1x6a n SER 76 N -2.37 0.00 0.00 4.19 2.88 -0.49 -4.82 113.62 113.02 1x6a n SER 76 Ca 0.04 -0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1x6a n SER 76 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1x6a n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6a n GLY 77 N -0.47 -0.51 3.61 0.46 0.00 -1.24 -5.08 105.19 101.96 1x6a n GLY 77 Ca 0.06 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.00 3.42 0.23 1.61 0.04 -1.26 -4.89 135.00 132.16 1x6a s PRO 78 Ca 0.00 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.90 1x6a s PRO 78 Cb 0.00 -4.23 0.24 0.00 0.04 0.00 0.00 34.50 30.55 1x6a s PRO 78 CO 0.00 -1.76 1.56 0.77 0.04 0.00 0.00 177.00 177.61 1x6a h SER 79 N 13.09 0.32 -4.37 6.66 0.02 -1.96 -3.45 113.55 123.86 1x6a h SER 79 Ca -0.38 -0.18 -0.47 0.00 -0.84 0.00 0.00 61.79 59.92 1x6a h SER 79 Cb 1.20 -0.09 0.12 0.00 0.14 0.00 0.00 62.40 63.76 1x6a h SER 79 CO 0.99 0.84 0.34 -0.44 -1.14 0.00 0.00 176.83 177.42 1x6a s SER 80 N -6.90 4.04 0.00 3.07 0.01 -1.26 -5.19 113.70 107.47 1x6a s SER 80 Ca -0.05 0.96 0.31 0.00 1.31 0.00 0.00 55.95 58.49 1x6a s SER 80 Cb 0.12 -1.54 1.87 0.00 0.21 0.00 0.00 66.02 66.67 1x6a s SER 80 CO 0.80 -2.22 2.19 0.61 0.41 0.00 0.00 173.24 175.04