#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ylq n GLY -1 N 0.00 1.54 0.20 0.00 0.00 -1.26 -4.88 105.19 100.79 1ylq n GLY -1 Ca 0.00 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1ylq n GLY -1 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ylq h HIS 0 N 0.00 0.94 -0.55 1.61 3.86 -2.06 -3.20 115.15 115.75 1ylq h HIS 0 Ca -0.32 -0.45 -0.01 0.00 -1.16 0.00 0.00 60.37 58.44 1ylq h HIS 0 Cb 1.09 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.40 1ylq h HIS 0 CO 0.48 1.27 0.31 0.52 0.86 0.00 0.00 177.93 181.38 1ylq h MET 1 N 0.44 0.75 -0.58 2.45 2.07 -2.00 0.78 114.93 118.84 1ylq h MET 1 Ca -0.07 -0.07 0.05 0.00 -2.07 0.00 0.00 59.70 57.54 1ylq h MET 1 Cb 1.48 -0.16 -0.05 0.00 -1.87 0.00 0.00 31.60 31.01 1ylq h MET 1 CO 0.17 0.54 0.31 -0.22 1.07 0.00 0.00 176.91 178.78 1ylq h LYS 2 N 0.76 0.58 -0.11 1.72 3.64 -1.97 -1.82 116.57 119.37 1ylq h LYS 2 Ca 0.20 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1ylq h LYS 2 Cb -0.00 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1ylq h LYS 2 CO -0.03 0.38 -0.01 1.49 -2.27 0.00 0.00 179.45 179.01 1ylq h GLU 3 N 0.60 0.19 -0.59 1.90 4.81 -1.24 -1.77 114.58 118.48 1ylq h GLU 3 Ca 0.25 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 59.54 1ylq h GLU 3 Cb 0.13 -0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.40 1ylq h GLU 3 CO -0.16 0.46 -0.04 0.82 -0.73 0.00 0.00 179.01 179.36 1ylq h ILE 4 N -0.09 0.49 -0.62 2.32 2.04 -0.77 -1.39 117.51 119.49 1ylq h ILE 4 Ca 0.03 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1ylq h ILE 4 Cb 0.38 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1ylq h ILE 4 CO 0.01 0.01 0.06 0.50 0.00 0.00 0.00 178.15 178.73 1ylq h LYS 5 N 0.08 1.04 -0.05 2.37 1.63 -1.16 -1.37 116.57 119.11 1ylq h LYS 5 Ca 0.30 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ylq h LYS 5 Cb 0.47 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1ylq h LYS 5 CO -0.53 0.98 -0.02 0.93 -3.45 0.00 0.00 179.45 177.36 1ylq h GLU 6 N 0.96 0.11 -0.75 1.90 4.39 -0.80 -0.62 114.58 119.78 1ylq h GLU 6 Ca 0.18 -0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.92 1ylq h GLU 6 Cb 0.48 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.06 1ylq h GLU 6 CO 0.02 0.48 0.41 0.82 -1.16 0.00 0.00 179.01 179.57 1ylq h ILE 7 N -0.27 0.90 0.17 3.13 2.04 -1.29 -1.94 117.51 120.26 1ylq h ILE 7 Ca 0.01 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1ylq h ILE 7 Cb 0.44 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1ylq h ILE 7 CO 0.01 0.13 -0.08 0.74 0.00 0.00 0.00 178.15 178.94 1ylq h THR 8 N 0.70 0.95 0.00 -0.27 2.02 -1.03 -2.91 112.91 112.36 1ylq h THR 8 Ca 0.36 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1ylq h THR 8 Cb 0.32 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1ylq h THR 8 CO -0.24 0.15 -0.10 0.11 0.37 0.00 0.00 175.52 175.82 1ylq h LYS 9 N -0.57 0.00 -0.50 6.66 1.79 -1.04 0.34 116.57 123.26 1ylq h LYS 9 Ca -0.02 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 1ylq h LYS 9 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1ylq h LYS 9 CO 0.04 0.10 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.16 1ylq h LYS 10 N 0.00 0.94 0.00 3.15 3.64 -1.23 -3.29 116.57 119.77 1ylq h LYS 10 Ca -0.00 -0.34 -0.12 0.00 -1.27 0.00 0.00 60.65 58.91 1ylq h LYS 10 Cb 0.54 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1ylq h LYS 10 CO 0.01 1.00 -0.75 0.22 -2.27 0.00 0.00 179.45 177.67 1ylq h ASP 11 N 0.83 0.00 -3.68 4.20 1.82 -1.18 -3.45 116.42 114.97 1ylq h ASP 11 Ca 0.13 -0.51 -0.63 0.00 -0.39 0.00 0.00 57.03 55.63 1ylq h ASP 11 Cb 0.67 0.00 -0.40 0.00 0.68 0.00 0.00 39.33 40.28 1ylq h ASP 11 CO 0.05 1.19 -0.71 -0.69 -1.61 0.00 0.00 179.24 177.46 1ylq s VAL 12 N -2.25 1.83 0.35 2.25 1.01 0.11 -4.98 120.40 118.72 1ylq s VAL 12 Ca -0.22 -2.39 0.03 0.00 0.00 0.00 0.00 61.98 59.40 1ylq s VAL 12 Cb 0.03 -2.32 0.27 0.00 0.00 0.00 0.00 36.38 34.36 1ylq s VAL 12 CO 0.51 -0.73 1.99 -0.61 0.00 0.00 0.00 175.10 176.27 1ylq h GLN 13 N 7.29 0.84 -0.17 2.72 4.15 -1.78 -2.19 115.11 125.97 1ylq h GLN 13 Ca -0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1ylq h GLN 13 Cb 0.97 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1ylq h GLN 13 CO 0.54 0.55 0.00 -0.40 -1.93 0.00 0.00 178.83 177.59 1ylq n ASP 14 N -4.45 1.57 -4.77 -0.69 5.68 -1.26 -4.93 116.55 107.70 1ylq n ASP 14 Ca 0.08 -1.71 -0.37 0.00 -0.50 0.00 0.00 54.79 52.29 1ylq n ASP 14 Cb 0.09 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1ylq n ASP 14 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ylq s ALA 15 N -1.79 2.91 0.02 2.12 0.00 -0.82 -4.90 121.76 119.30 1ylq s ALA 15 Ca 0.31 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.33 1ylq s ALA 15 Cb 0.17 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1ylq s ALA 15 CO 0.25 -0.82 -0.12 -1.21 0.00 0.00 0.00 175.76 173.86 1ylq s GLU 16 N -2.79 2.35 -0.10 0.00 0.41 -0.65 -4.93 118.70 112.98 1ylq s GLU 16 Ca 0.66 -0.83 0.04 0.00 -0.41 0.00 0.00 54.97 54.43 1ylq s GLU 16 Cb -0.31 -2.36 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 1ylq s GLU 16 CO 0.37 0.58 -0.23 0.42 -0.49 0.00 0.00 175.26 175.90 1ylq s ILE 17 N -0.96 2.01 -0.00 -1.63 1.01 -1.26 -0.83 121.20 119.54 1ylq s ILE 17 Ca 0.16 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1ylq s ILE 17 Cb -0.11 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1ylq s ILE 17 CO 0.06 0.55 -0.23 -0.31 0.00 0.00 0.00 174.94 175.02 1ylq s TYR 18 N 0.33 2.01 -0.13 3.97 2.02 -0.14 0.40 117.35 125.81 1ylq s TYR 18 Ca -0.18 -0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1ylq s TYR 18 Cb -0.18 -1.27 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1ylq s TYR 18 CO 0.08 -0.00 -0.01 -0.51 -1.57 0.00 0.00 175.55 173.54 1ylq s LEU 19 N -0.69 3.45 0.00 -1.29 1.43 0.68 -0.51 118.68 121.76 1ylq s LEU 19 Ca 0.09 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1ylq s LEU 19 Cb -0.09 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1ylq s LEU 19 CO -0.00 0.26 0.00 0.00 0.23 0.00 0.00 176.35 176.84 1ylq n TYR 20 N 2.91 0.00 -0.64 0.29 4.11 -0.30 -1.13 117.16 122.40 1ylq n TYR 20 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1ylq n TYR 20 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 1ylq n TYR 20 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ylq n GLY 21 N 0.00 -2.51 0.30 -7.48 0.00 -1.26 -0.23 105.19 94.00 1ylq n GLY 21 Ca 0.00 -1.93 0.01 0.00 0.00 0.00 0.00 46.02 44.10 1ylq n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ylq h SER 22 N 0.00 0.73 -0.21 1.61 4.64 -0.65 -0.28 113.55 119.38 1ylq h SER 22 Ca 0.00 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1ylq h SER 22 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1ylq h SER 22 CO 0.00 0.45 0.02 0.58 -0.87 0.00 0.00 176.83 177.02 1ylq h VAL 23 N 0.86 1.24 -0.30 0.95 2.07 -1.77 0.12 116.25 119.42 1ylq h VAL 23 Ca 0.36 -0.80 -0.18 0.00 0.82 0.00 0.00 66.70 66.90 1ylq h VAL 23 Cb 0.23 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ylq h VAL 23 CO -0.20 0.25 -0.53 0.58 0.02 0.00 0.00 177.57 177.69 1ylq h VAL 24 N 0.14 1.27 0.00 2.57 2.07 -1.71 -3.33 116.25 117.27 1ylq h VAL 24 Ca 0.06 -1.71 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1ylq h VAL 24 Cb 0.35 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ylq h VAL 24 CO 0.01 0.56 -0.99 -0.33 0.02 0.00 0.00 177.57 176.83 1ylq h GLU 25 N 0.68 0.00 0.00 1.57 5.08 -0.86 -3.48 114.58 117.57 1ylq h GLU 25 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ylq h GLU 25 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ylq h GLU 25 CO 0.12 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.59 1ylq n GLY 26 N 1.21 3.13 3.45 -3.84 0.00 0.39 -4.94 105.19 104.59 1ylq n GLY 26 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1ylq n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ylq s ASP 27 N -1.14 6.26 0.00 1.61 -1.08 -1.25 -4.68 116.67 116.38 1ylq s ASP 27 Ca 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 50.81 1ylq s ASP 27 Cb 0.00 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1ylq s ASP 27 CO 0.00 -1.35 0.00 -1.22 0.52 0.00 0.00 175.17 173.12 1ylq n TYR 28 N 7.39 0.00 -1.14 -5.34 4.01 -1.25 -3.88 117.16 116.95 1ylq n TYR 28 Ca 0.01 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 1ylq n TYR 28 Cb 0.46 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.71 1ylq n TYR 28 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1ylq n SER 29 N 0.00 3.23 -0.44 7.72 7.64 -1.26 -4.38 113.62 126.13 1ylq n SER 29 Ca 0.00 -3.25 0.05 0.00 1.01 0.00 0.00 58.87 56.68 1ylq n SER 29 Cb 0.00 -0.55 0.09 0.00 -1.01 0.00 0.00 64.21 62.73 1ylq n SER 29 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ylq n ILE 30 N -0.83 1.05 -1.98 0.44 -0.00 -1.26 -5.02 119.36 111.75 1ylq n ILE 30 Ca 0.24 -1.44 -0.20 0.00 -0.00 0.00 0.00 62.75 61.35 1ylq n ILE 30 Cb 0.89 0.16 -0.05 0.00 -0.00 0.00 0.00 39.64 40.64 1ylq n ILE 30 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1ylq n GLY 31 N -0.68 0.76 3.73 7.39 0.00 -1.26 -4.97 105.19 110.16 1ylq n GLY 31 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1ylq n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ylq s LEU 32 N -5.33 3.29 0.66 0.99 1.43 -1.26 -5.00 118.68 113.47 1ylq s LEU 32 Ca 0.00 2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 55.19 1ylq s LEU 32 Cb 0.00 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.64 1ylq s LEU 32 CO 0.00 -2.20 1.29 -0.55 0.23 0.00 0.00 176.35 175.12 1ylq s SER 33 N -2.20 4.52 0.10 2.29 0.15 -1.26 -4.60 113.70 112.70 1ylq s SER 33 Ca 0.72 2.61 -0.28 0.00 0.70 0.00 0.00 55.95 59.70 1ylq s SER 33 Cb -0.27 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 61.31 1ylq s SER 33 CO 0.46 -2.06 1.64 0.44 1.20 0.00 0.00 173.24 174.91 1ylq h ASP 34 N 0.43 -0.74 -3.26 5.45 3.32 -1.93 0.84 116.42 120.53 1ylq h ASP 34 Ca -0.51 0.07 -0.50 0.00 0.02 0.00 0.00 57.03 56.12 1ylq h ASP 34 Cb 1.34 0.26 -0.38 0.00 0.22 0.00 0.00 39.33 40.77 1ylq h ASP 34 CO 0.53 -0.38 -0.78 -0.63 -1.72 0.00 0.00 179.24 176.25 1ylq s ILE 35 N -6.06 0.70 0.10 0.35 1.01 -1.15 -2.67 121.20 113.48 1ylq s ILE 35 Ca -0.16 -0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 1ylq s ILE 35 Cb 0.07 -0.91 -0.07 0.00 0.01 0.00 0.00 42.46 41.56 1ylq s ILE 35 CO 0.64 0.15 0.64 -1.81 0.00 0.00 0.00 174.94 174.56 1ylq s ASP 36 N 1.82 7.17 -0.23 3.58 1.01 0.68 -0.88 116.67 129.81 1ylq s ASP 36 Ca 0.03 1.38 0.01 0.00 0.71 0.00 0.00 52.55 54.68 1ylq s ASP 36 Cb -0.14 -2.41 0.06 0.00 1.01 0.00 0.00 42.92 41.44 1ylq s ASP 36 CO -0.07 0.25 -0.06 -0.69 0.21 0.00 0.00 175.17 174.81 1ylq s VAL 37 N -1.08 1.56 -0.23 -1.27 1.01 0.30 -1.15 120.40 119.54 1ylq s VAL 37 Ca 0.31 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 1ylq s VAL 37 Cb -0.21 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1ylq s VAL 37 CO 0.21 -0.09 0.27 0.00 0.00 0.00 0.00 175.10 175.50 1ylq s ALA 38 N 1.38 3.58 -0.25 5.51 0.00 0.34 -0.76 121.76 131.57 1ylq s ALA 38 Ca -0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.14 1ylq s ALA 38 Cb -0.19 -2.48 0.02 0.00 0.00 0.00 0.00 23.12 20.47 1ylq s ALA 38 CO -0.06 -0.27 -0.04 0.42 0.00 0.00 0.00 175.76 175.81 1ylq s ILE 39 N 1.22 3.12 -0.11 0.00 1.01 0.22 -0.97 121.20 125.69 1ylq s ILE 39 Ca 0.13 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1ylq s ILE 39 Cb -0.14 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1ylq s ILE 39 CO 0.06 0.24 -0.14 -0.69 0.00 0.00 0.00 174.94 174.41 1ylq s VAL 40 N 1.38 1.44 -0.12 2.92 1.01 -0.01 -0.98 120.40 126.05 1ylq s VAL 40 Ca 0.02 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1ylq s VAL 40 Cb -0.16 -1.34 0.09 0.00 0.00 0.00 0.00 36.38 34.98 1ylq s VAL 40 CO -0.03 0.43 0.82 -0.55 0.00 0.00 0.00 175.10 175.77 1ylq s SER 41 N 1.15 -0.54 0.00 3.32 0.15 -0.27 -1.64 113.70 115.86 1ylq s SER 41 Ca -0.03 0.66 0.23 0.00 0.70 0.00 0.00 55.95 57.50 1ylq s SER 41 Cb -0.14 0.53 1.13 0.00 -1.71 0.00 0.00 66.02 65.83 1ylq s SER 41 CO -0.04 -0.46 1.76 0.47 1.20 0.00 0.00 173.24 176.17 1ylq n ASP 42 N 1.03 0.00 0.00 5.45 8.00 -1.26 -2.13 116.55 127.64 1ylq n ASP 42 Ca -0.15 0.07 0.20 0.00 0.71 0.00 0.00 54.79 55.62 1ylq n ASP 42 Cb 0.57 -0.33 0.68 0.00 -0.02 0.00 0.00 41.12 42.02 1ylq n ASP 42 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ylq h VAL 43 N 0.00 0.74 0.00 2.53 2.07 -1.95 -1.46 116.25 118.19 1ylq h VAL 43 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1ylq h VAL 43 Cb 0.26 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ylq h VAL 43 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1ylq n PHE 44 N -4.39 0.00 0.31 1.57 3.72 -0.90 -2.40 117.46 115.37 1ylq n PHE 44 Ca 0.10 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.68 1ylq n PHE 44 Cb 0.59 0.00 1.01 0.00 -0.94 0.00 0.00 39.48 40.14 1ylq n PHE 44 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ylq h GLU 45 N 0.00 0.00 -5.28 -1.08 5.08 -1.47 -3.37 114.58 108.46 1ylq h GLU 45 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1ylq h GLU 45 Cb 0.00 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.09 1ylq h GLU 45 CO 0.00 0.02 0.08 0.34 -1.00 0.00 0.00 179.01 178.45 1ylq s ASP 46 N -5.65 6.29 0.44 1.42 -1.08 -1.01 -4.92 116.67 112.16 1ylq s ASP 46 Ca -0.04 -0.48 0.18 0.00 -0.52 0.00 0.00 52.55 51.69 1ylq s ASP 46 Cb 0.13 -2.31 1.12 0.00 -1.46 0.00 0.00 42.92 40.41 1ylq s ASP 46 CO 0.49 -0.79 1.92 -0.09 0.52 0.00 0.00 175.17 177.22 1ylq h ARG 47 N 8.89 0.33 -0.29 4.34 2.43 -1.89 -0.83 114.38 127.36 1ylq h ARG 47 Ca -0.26 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.79 1ylq h ARG 47 Cb 1.10 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1ylq h ARG 47 CO 0.90 0.22 -0.25 -0.91 -1.51 0.00 0.00 179.97 178.42 1ylq h ASN 48 N 0.34 0.56 -0.36 -3.80 2.35 -1.92 -0.19 115.58 112.56 1ylq h ASN 48 Ca 0.38 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 1ylq h ASN 48 Cb 0.97 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1ylq h ASN 48 CO -0.11 0.80 -0.33 -0.09 -1.65 0.00 0.00 177.43 176.05 1ylq h ARG 49 N 0.49 0.87 -0.51 0.81 9.65 -1.50 -1.74 114.38 122.43 1ylq h ARG 49 Ca 0.07 -0.45 -0.03 0.00 -1.10 0.00 0.00 59.98 58.48 1ylq h ARG 49 Cb 0.69 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 1ylq h ARG 49 CO 0.05 1.09 0.22 -0.22 2.80 0.00 0.00 179.97 183.91 1ylq h LYS 50 N 0.67 0.76 -0.11 0.20 3.64 -1.04 -1.21 116.57 119.49 1ylq h LYS 50 Ca 0.06 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1ylq h LYS 50 Cb 0.92 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ylq h LYS 50 CO 0.08 0.66 -0.02 1.25 -2.27 0.00 0.00 179.45 179.16 1ylq h LEU 51 N 0.69 0.20 -0.31 5.20 5.85 -0.98 0.36 115.31 126.32 1ylq h LEU 51 Ca 0.17 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.60 1ylq h LEU 51 Cb 0.18 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1ylq h LEU 51 CO -0.02 0.51 -0.17 -0.08 -0.34 0.00 0.00 178.44 178.34 1ylq h GLU 52 N -0.11 -0.13 -0.17 1.25 4.22 -1.28 -0.56 114.58 117.79 1ylq h GLU 52 Ca 0.03 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.42 1ylq h GLU 52 Cb 0.42 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1ylq h GLU 52 CO 0.01 -0.09 -0.12 0.35 -2.18 0.00 0.00 179.01 176.98 1ylq h PHE 53 N -0.13 0.45 -0.73 0.92 3.57 -1.06 -2.07 116.94 117.90 1ylq h PHE 53 Ca 0.16 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1ylq h PHE 53 Cb 0.38 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1ylq h PHE 53 CO -0.37 0.73 0.43 0.35 -2.23 0.00 0.00 178.31 177.22 1ylq h PHE 54 N 0.05 0.79 -0.32 0.41 3.57 -0.83 0.03 116.94 120.64 1ylq h PHE 54 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ylq h PHE 54 Cb 0.63 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ylq h PHE 54 CO 0.07 0.39 0.17 0.78 -2.23 0.00 0.00 178.31 177.49 1ylq h GLY 55 N 0.79 0.49 0.57 2.40 0.00 -0.98 -1.79 103.07 104.55 1ylq h GLY 55 Ca 0.32 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.44 1ylq h GLY 55 CO -0.17 0.22 -0.22 1.70 0.00 0.00 0.00 176.54 178.07 1ylq h LYS 56 N 0.39 -0.36 -0.28 4.80 3.64 -0.94 -2.26 116.57 121.55 1ylq h LYS 56 Ca 0.11 0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 1ylq h LYS 56 Cb 0.09 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1ylq h LYS 56 CO -0.02 -0.24 -0.50 0.97 -2.27 0.00 0.00 179.45 177.39 1ylq h ILE 57 N -0.38 1.29 -0.12 2.00 2.10 -0.90 -2.52 117.51 118.98 1ylq h ILE 57 Ca 0.04 -1.70 -0.15 0.00 1.08 0.00 0.00 64.86 64.13 1ylq h ILE 57 Cb 0.42 1.60 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 1ylq h ILE 57 CO -0.16 0.55 -0.59 0.71 -1.08 0.00 0.00 178.15 177.59 1ylq h THR 58 N 0.62 1.36 -0.78 2.19 1.35 -1.36 -1.76 112.91 114.53 1ylq h THR 58 Ca 0.02 -1.90 -0.04 0.00 -0.55 0.00 0.00 66.41 63.94 1ylq h THR 58 Cb 1.09 1.91 -0.04 0.00 -1.73 0.00 0.00 68.15 69.38 1ylq h THR 58 CO 0.11 0.57 0.35 0.50 -0.25 0.00 0.00 175.52 176.80 1ylq h LYS 59 N 0.29 1.15 -0.74 4.72 3.64 -1.40 -1.78 116.57 122.46 1ylq h LYS 59 Ca -0.00 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1ylq h LYS 59 Cb 1.11 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.70 1ylq h LYS 59 CO 0.10 0.91 0.24 -0.22 -2.27 0.00 0.00 179.45 178.21 1ylq h LYS 60 N 1.12 1.13 -1.39 1.90 1.63 -1.29 -3.28 116.57 116.39 1ylq h LYS 60 Ca 0.27 -0.23 -0.64 0.00 -0.85 0.00 0.00 60.65 59.19 1ylq h LYS 60 Cb 0.16 -0.17 -0.36 0.00 -0.60 0.00 0.00 32.23 31.26 1ylq h LYS 60 CO -0.03 0.96 -0.04 1.19 -3.45 0.00 0.00 179.45 178.08 1ylq n PHE 61 N -4.26 3.13 -1.67 1.91 3.72 -0.67 -5.04 117.46 114.58 1ylq n PHE 61 Ca 0.06 -2.70 -0.45 0.00 -0.05 0.00 0.00 57.45 54.30 1ylq n PHE 61 Cb 0.22 -0.64 -0.03 0.00 -0.94 0.00 0.00 39.48 38.09 1ylq n PHE 61 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1ylq n PHE 62 N -0.61 2.22 -3.90 1.38 7.35 -0.70 -3.15 117.46 120.05 1ylq n PHE 62 Ca 0.48 0.36 -0.28 0.00 -0.76 0.00 0.00 57.45 57.25 1ylq n PHE 62 Cb 0.62 -2.50 0.02 0.00 0.35 0.00 0.00 39.48 37.97 1ylq n PHE 62 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1ylq n ASP 63 N 2.72 -2.98 -4.85 -2.13 2.03 -1.26 -4.96 116.55 105.12 1ylq n ASP 63 Ca 0.14 -0.85 -0.24 0.00 0.52 0.00 0.00 54.79 54.36 1ylq n ASP 63 Cb 0.30 -3.69 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 1ylq n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ylq s SER 64 N -3.75 4.71 0.02 1.67 1.04 -1.19 -5.03 113.70 111.17 1ylq s SER 64 Ca 0.39 -1.04 0.18 0.00 0.48 0.00 0.00 55.95 55.97 1ylq s SER 64 Cb -0.20 -0.14 0.78 0.00 0.10 0.00 0.00 66.02 66.56 1ylq s SER 64 CO 0.84 -0.81 1.59 -0.81 0.98 0.00 0.00 173.24 175.04 1ylq n PRO 65 N -1.55 0.02 -2.52 4.02 -0.04 -1.26 -4.82 135.00 128.84 1ylq n PRO 65 Ca 0.00 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 1ylq n PRO 65 Cb 0.64 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1ylq n PRO 65 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ylq s PHE 66 N -3.02 3.58 -0.21 0.54 0.08 -1.26 -2.95 117.98 114.74 1ylq s PHE 66 Ca 0.08 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 58.69 1ylq s PHE 66 Cb 0.12 -3.28 0.01 0.00 -0.57 0.00 0.00 43.02 39.30 1ylq s PHE 66 CO 0.34 -0.64 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.71 1ylq s GLU 67 N 0.00 3.09 -0.02 0.44 2.12 -0.06 -5.00 118.70 119.27 1ylq s GLU 67 Ca 0.51 -0.79 -0.09 0.00 0.36 0.00 0.00 54.97 54.96 1ylq s GLU 67 Cb -0.28 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 1ylq s GLU 67 CO 0.33 -0.25 0.28 -0.06 -0.54 0.00 0.00 175.26 175.02 1ylq s PHE 68 N 1.36 3.62 -0.14 5.30 0.08 -1.26 -0.54 117.98 126.40 1ylq s PHE 68 Ca 0.04 0.67 -0.01 0.00 0.12 0.00 0.00 56.93 57.74 1ylq s PHE 68 Cb -0.14 -2.05 0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1ylq s PHE 68 CO -0.08 0.64 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.66 1ylq s HIS 69 N -1.19 1.18 -0.36 0.36 3.76 0.06 -4.93 115.29 114.16 1ylq s HIS 69 Ca 0.24 -0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 54.33 1ylq s HIS 69 Cb -0.14 -1.07 0.02 0.00 1.11 0.00 0.00 32.58 32.50 1ylq s HIS 69 CO 0.13 -0.52 0.21 0.42 -0.85 0.00 0.00 174.74 174.13 1ylq s ILE 70 N 1.81 4.72 0.04 0.60 -1.09 -1.26 -0.61 121.20 125.39 1ylq s ILE 70 Ca 0.02 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1ylq s ILE 70 Cb -0.15 -3.56 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1ylq s ILE 70 CO -0.07 -0.16 -0.11 -0.76 -1.23 0.00 0.00 174.94 172.61 1ylq s LEU 71 N 1.60 2.19 0.98 2.97 1.43 -0.15 -4.98 118.68 122.71 1ylq s LEU 71 Ca 0.03 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 1ylq s LEU 71 Cb -0.18 -0.41 0.18 0.00 0.03 0.00 0.00 46.19 45.81 1ylq s LEU 71 CO 0.07 -0.05 1.15 0.42 0.23 0.00 0.00 176.35 178.17 1ylq s THR 72 N -0.96 1.93 0.17 5.49 -4.23 -1.25 -1.12 115.64 115.68 1ylq s THR 72 Ca -0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.36 1ylq s THR 72 Cb -0.08 -2.69 0.08 0.00 1.34 0.00 0.00 72.50 71.14 1ylq s THR 72 CO 0.01 0.00 1.80 0.11 -0.54 0.00 0.00 174.62 176.00 1ylq h LYS 73 N -1.77 0.79 -0.84 3.99 1.57 -1.92 -1.48 116.57 116.90 1ylq h LYS 73 Ca -0.49 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.23 1ylq h LYS 73 Cb 1.31 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 1ylq h LYS 73 CO 0.54 0.58 0.54 -0.22 -0.57 0.00 0.00 179.45 180.32 1ylq h LYS 74 N 0.77 1.04 -0.58 3.15 3.64 -1.97 -1.06 116.57 121.56 1ylq h LYS 74 Ca 0.20 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1ylq h LYS 74 Cb 0.01 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 1ylq h LYS 74 CO -0.04 0.69 0.15 0.93 -2.27 0.00 0.00 179.45 178.91 1ylq h GLU 75 N 1.07 0.92 -0.35 1.90 5.08 -1.85 -1.63 114.58 119.72 1ylq h GLU 75 Ca 0.33 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1ylq h GLU 75 Cb -0.02 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1ylq h GLU 75 CO -0.10 0.85 0.07 2.35 -1.00 0.00 0.00 179.01 181.18 1ylq h TRP 76 N 0.83 0.61 -0.54 4.33 -0.00 -1.04 -0.27 115.95 119.87 1ylq h TRP 76 Ca 0.18 -0.08 0.11 0.00 -0.00 0.00 0.00 58.89 59.10 1ylq h TRP 76 Cb 0.34 -0.17 -0.11 0.00 -0.00 0.00 0.00 29.16 29.22 1ylq h TRP 76 CO 0.02 0.62 -0.19 -0.22 -0.00 0.00 0.00 178.44 178.67 1ylq h LYS 77 N 0.42 -0.06 -0.34 2.65 3.64 -1.05 -1.20 116.57 120.62 1ylq h LYS 77 Ca 0.11 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1ylq h LYS 77 Cb 0.33 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1ylq h LYS 77 CO 0.00 -0.04 0.22 1.98 -2.27 0.00 0.00 179.45 179.34 1ylq h MET 78 N -0.07 0.43 -0.98 1.90 4.05 -1.01 -2.98 114.93 116.27 1ylq h MET 78 Ca 0.25 -0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.72 1ylq h MET 78 Cb 0.46 -0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 31.09 1ylq h MET 78 CO -0.59 0.29 0.63 0.77 0.23 0.00 0.00 176.91 178.24 1ylq h SER 79 N 0.44 1.00 -0.16 1.39 0.02 -0.04 -2.34 113.55 113.86 1ylq h SER 79 Ca 0.12 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1ylq h SER 79 Cb -0.04 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 1ylq h SER 79 CO -0.03 0.63 0.14 0.11 -1.14 0.00 0.00 176.83 176.53 1ylq h LYS 80 N 1.13 0.00 -0.18 3.45 1.57 -1.09 -0.49 116.57 120.95 1ylq h LYS 80 Ca 0.43 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1ylq h LYS 80 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ylq h LYS 80 CO -0.18 0.00 0.33 0.00 -0.57 0.00 0.00 179.45 179.02 1ylq h ARG 81 N 0.00 0.00 -0.13 3.15 3.08 -1.47 -2.68 114.38 116.32 1ylq h ARG 81 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1ylq h ARG 81 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1ylq h ARG 81 CO -0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 1ylq n PHE 82 N -3.37 0.21 -4.53 3.04 3.72 -0.20 -4.99 117.46 111.35 1ylq n PHE 82 Ca 0.02 -0.57 -0.33 0.00 -0.05 0.00 0.00 57.45 56.52 1ylq n PHE 82 Cb 0.44 -0.07 -0.15 0.00 -0.94 0.00 0.00 39.48 38.76 1ylq n PHE 82 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ylq s ILE 83 N -1.28 2.66 0.12 4.37 1.01 -1.01 -5.01 121.20 122.07 1ylq s ILE 83 Ca 0.13 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 1ylq s ILE 83 Cb 0.09 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1ylq s ILE 83 CO 0.06 0.51 1.56 -0.09 0.00 0.00 0.00 174.94 176.99 1ylq h ARG 84 N 7.30 0.72 -2.05 2.79 2.43 -1.94 -3.46 114.38 120.17 1ylq h ARG 84 Ca -0.33 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.58 1ylq h ARG 84 Cb 1.19 -0.06 -0.21 0.00 -0.42 0.00 0.00 29.97 30.47 1ylq h ARG 84 CO 0.57 0.82 0.06 0.21 -1.51 0.00 0.00 179.97 180.12 1ylq s LYS 85 N -4.96 0.77 0.19 0.20 2.20 -1.26 -5.13 119.74 111.74 1ylq s LYS 85 Ca -0.13 1.06 0.01 0.00 -0.36 0.00 0.00 55.97 56.56 1ylq s LYS 85 Cb 0.10 0.29 -0.05 0.00 -1.51 0.00 0.00 37.83 36.66 1ylq s LYS 85 CO 0.80 -0.12 0.04 1.52 -0.36 0.00 0.00 175.35 177.23 1ylq s TYR 86 N 0.88 1.24 -0.07 4.03 -0.85 -1.26 -4.64 117.35 116.68 1ylq s TYR 86 Ca -0.04 -1.11 0.01 0.00 -0.52 0.00 0.00 57.07 55.42 1ylq s TYR 86 Cb -0.05 -0.71 0.02 0.00 0.38 0.00 0.00 41.96 41.60 1ylq s TYR 86 CO -0.07 -0.31 -0.09 0.50 -1.52 0.00 0.00 175.55 174.06 1ylq s ARG 87 N -3.97 1.46 0.15 -3.49 6.06 -0.29 -4.95 118.95 113.91 1ylq s ARG 87 Ca 0.28 -0.30 -0.31 0.00 -2.50 0.00 0.00 55.73 52.89 1ylq s ARG 87 Cb 0.07 -1.31 -0.09 0.00 0.06 0.00 0.00 34.95 33.67 1ylq s ARG 87 CO 0.06 -0.06 1.51 0.50 -2.50 0.00 0.00 175.30 174.82 1ylq s ARG 88 N 0.96 4.25 -0.66 5.12 3.52 -1.26 -0.23 118.95 130.64 1ylq s ARG 88 Ca -0.09 2.27 -0.25 0.00 -0.13 0.00 0.00 55.73 57.52 1ylq s ARG 88 Cb -0.15 -3.20 0.05 0.00 -1.56 0.00 0.00 34.95 30.09 1ylq s ARG 88 CO 0.00 -0.56 1.09 -1.17 -0.81 0.00 0.00 175.30 173.86 1ylq s LEU 89 N 1.18 3.81 0.00 -0.88 2.96 0.16 -4.91 118.68 121.01 1ylq s LEU 89 Ca 0.68 -0.59 0.28 0.00 -0.22 0.00 0.00 54.13 54.28 1ylq s LEU 89 Cb -0.41 -2.61 1.03 0.00 0.50 0.00 0.00 46.19 44.70 1ylq s LEU 89 CO 0.31 -1.55 1.73 -0.90 -1.32 0.00 0.00 176.35 174.62