#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan s ARG 2 N 0.00 4.48 0.46 0.03 3.52 -1.24 -4.70 118.95 121.49 2qan s ARG 2 Ca 0.00 1.81 -0.18 0.00 -0.13 0.00 0.00 55.73 57.22 2qan s ARG 2 Cb 0.00 -3.30 -0.09 0.00 -1.56 0.00 0.00 34.95 30.00 2qan s ARG 2 CO 0.00 -0.15 0.94 -1.01 -0.81 0.00 0.00 175.30 174.27 2qan s HIS 3 N 0.46 3.38 -0.17 5.12 3.76 -1.26 -3.38 115.29 123.19 2qan s HIS 3 Ca 0.55 1.50 -0.04 0.00 -0.15 0.00 0.00 55.06 56.92 2qan s HIS 3 Cb -0.31 -2.79 0.09 0.00 1.11 0.00 0.00 32.58 30.68 2qan s HIS 3 CO 0.33 -0.20 0.28 0.71 -0.85 0.00 0.00 174.74 175.00 2qan s TYR 4 N -2.36 -0.46 -0.92 1.40 2.02 -0.84 -0.54 117.35 115.65 2qan s TYR 4 Ca 0.60 0.74 -0.20 0.00 -0.37 0.00 0.00 57.07 57.84 2qan s TYR 4 Cb -0.09 -0.11 0.10 0.00 -0.40 0.00 0.00 41.96 41.45 2qan s TYR 4 CO 0.22 -0.50 1.19 -2.00 -1.57 0.00 0.00 175.55 172.90 2qan s GLU 5 N 2.42 3.54 -0.04 -0.62 2.12 -1.22 -2.01 118.70 122.88 2qan s GLU 5 Ca 0.05 -1.47 -0.16 0.00 0.36 0.00 0.00 54.97 53.74 2qan s GLU 5 Cb -0.14 -4.94 -0.05 0.00 0.26 0.00 0.00 34.13 29.26 2qan s GLU 5 CO -0.11 -1.90 0.43 -1.50 -0.54 0.00 0.00 175.26 171.64 2qan s ILE 6 N 3.47 5.08 -0.31 -3.70 1.10 -1.26 -1.90 121.20 123.68 2qan s ILE 6 Ca 0.35 0.87 -0.02 0.00 -0.51 0.00 0.00 60.65 61.34 2qan s ILE 6 Cb -0.05 -3.75 0.11 0.00 0.15 0.00 0.00 42.46 38.92 2qan s ILE 6 CO -0.07 0.49 0.13 0.54 -2.11 0.00 0.00 174.94 173.92 2qan s VAL 7 N -0.46 0.31 -0.15 4.00 0.11 -0.92 -1.25 120.40 122.03 2qan s VAL 7 Ca 0.24 -1.14 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 2qan s VAL 7 Cb -0.16 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 2qan s VAL 7 CO 0.12 -0.75 -0.02 0.72 -3.33 0.00 0.00 175.10 171.84 2qan s PHE 8 N 1.77 3.07 -0.16 1.54 -0.12 -0.98 -3.38 117.98 119.72 2qan s PHE 8 Ca 0.11 -0.17 -0.04 0.00 -0.05 0.00 0.00 56.93 56.78 2qan s PHE 8 Cb -0.18 -1.95 -0.03 0.00 -0.63 0.00 0.00 43.02 40.24 2qan s PHE 8 CO -0.28 0.07 -0.03 0.00 -0.05 0.00 0.00 175.22 174.93 2qan s MET 9 N 0.17 3.66 0.38 1.99 0.23 -1.19 -1.76 119.30 122.78 2qan s MET 9 Ca -0.00 -0.52 0.07 0.00 -1.03 0.00 0.00 55.69 54.21 2qan s MET 9 Cb -0.13 -2.93 0.00 0.00 -1.53 0.00 0.00 34.83 30.23 2qan s MET 9 CO 0.02 0.21 0.52 0.08 -2.03 0.00 0.00 175.02 173.83 2qan s VAL 10 N 0.44 3.55 0.34 5.16 1.01 0.21 -2.07 120.40 129.04 2qan s VAL 10 Ca -0.03 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 2qan s VAL 10 Cb -0.14 -3.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.92 2qan s VAL 10 CO 0.03 -0.08 1.38 -2.28 0.00 0.00 0.00 175.10 174.15 2qan s HIS 11 N -2.26 2.89 0.13 5.22 2.46 0.63 -1.21 115.29 123.15 2qan s HIS 11 Ca 0.50 1.29 -0.21 0.00 0.47 0.00 0.00 55.06 57.11 2qan s HIS 11 Cb -0.10 -3.81 -0.02 0.00 -0.13 0.00 0.00 32.58 28.52 2qan s HIS 11 CO 0.32 -2.31 1.68 -1.00 -2.47 0.00 0.00 174.74 170.96 2qan h PRO 12 N 3.42 -0.10 -1.18 2.88 0.13 -1.90 -1.95 132.00 133.30 2qan h PRO 12 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qan h PRO 12 Cb 1.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2qan h PRO 12 CO 0.66 -0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 2qan n ASP 13 N -5.25 2.03 0.00 1.44 9.92 -1.26 -1.80 116.55 121.63 2qan n ASP 13 Ca -0.03 -1.50 0.00 0.00 -0.53 0.00 0.00 54.79 52.73 2qan n ASP 13 Cb 0.17 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 2qan n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qan n GLN 14 N 0.55 0.11 -0.39 -1.24 1.13 -0.74 -4.90 117.38 111.91 2qan n GLN 14 Ca 0.00 -0.34 0.33 0.00 -1.94 0.00 0.00 57.00 55.05 2qan n GLN 14 Cb 0.35 -0.55 0.59 0.00 0.11 0.00 0.00 30.24 30.75 2qan n GLN 14 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2qan h SER 15 N 0.00 0.33 0.00 1.08 0.02 -1.34 0.55 113.55 114.19 2qan h SER 15 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2qan h SER 15 Cb 0.72 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2qan h SER 15 CO 0.00 -0.22 0.02 1.05 -1.14 0.00 0.00 176.83 176.54 2qan h GLU 16 N 0.13 0.00 0.08 3.45 9.09 -1.90 -0.88 114.58 124.55 2qan h GLU 16 Ca 0.80 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.92 2qan h GLU 16 Cb 2.28 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 29.36 2qan h GLU 16 CO -0.53 0.00 -1.52 1.96 0.05 0.00 0.00 179.01 178.97 2qan h GLN 17 N 0.00 0.18 -0.84 1.06 4.20 -0.29 -3.38 115.11 116.03 2qan h GLN 17 Ca 0.00 -0.30 0.15 0.00 0.06 0.00 0.00 58.65 58.55 2qan h GLN 17 Cb 0.03 0.11 -0.15 0.00 0.30 0.00 0.00 27.48 27.78 2qan h GLN 17 CO 0.00 1.00 -0.28 0.28 -0.67 0.00 0.00 178.83 179.16 2qan n VAL 18 N -3.37 -0.41 -0.19 -0.54 0.31 -0.33 0.32 118.33 114.11 2qan n VAL 18 Ca -0.15 1.95 -0.07 0.00 -0.01 0.00 0.00 64.34 66.06 2qan n VAL 18 Cb 1.03 -2.63 0.03 0.00 -0.91 0.00 0.00 33.84 31.36 2qan n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qan h PRO 19 N 0.00 0.75 0.26 5.55 0.13 -1.74 -2.19 132.00 134.76 2qan h PRO 19 Ca 0.34 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.40 2qan h PRO 19 Cb 0.55 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2qan h PRO 19 CO -0.85 0.52 -0.12 0.78 -0.23 0.00 0.00 178.00 178.10 2qan h GLY 20 N 0.76 -0.36 -0.12 1.56 0.00 -0.34 -2.15 103.07 102.41 2qan h GLY 20 Ca 0.20 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.72 2qan h GLY 20 CO -0.04 -0.13 -0.44 -0.33 0.00 0.00 0.00 176.54 175.60 2qan h MET 21 N -0.42 -0.42 -0.11 4.80 2.86 -0.78 -1.87 114.93 119.00 2qan h MET 21 Ca -0.04 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2qan h MET 21 Cb 0.32 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.01 2qan h MET 21 CO 0.06 -0.28 -0.40 0.82 1.06 0.00 0.00 176.91 178.17 2qan h ILE 22 N -0.43 0.18 -0.68 -1.22 2.04 -1.35 -0.66 117.51 115.38 2qan h ILE 22 Ca 0.10 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.13 2qan h ILE 22 Cb 0.61 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2qan h ILE 22 CO -0.47 0.00 0.48 -0.08 0.00 0.00 0.00 178.15 178.07 2qan h GLU 23 N -0.49 0.16 0.14 2.37 4.81 -1.01 -0.98 114.58 119.58 2qan h GLU 23 Ca 0.07 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2qan h GLU 23 Cb 0.62 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2qan h GLU 23 CO -0.37 0.11 -0.07 0.00 -0.73 0.00 0.00 179.01 177.95 2qan h ARG 24 N 0.17 -0.18 -0.03 1.92 3.08 -0.47 -2.98 114.38 115.89 2qan h ARG 24 Ca 0.33 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.41 2qan h ARG 24 Cb 1.07 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.11 2qan h ARG 24 CO -0.05 0.15 -0.43 1.88 -1.07 0.00 0.00 179.97 180.44 2qan h TYR 25 N -0.98 -1.28 -0.75 3.04 0.99 -0.77 0.28 116.97 117.50 2qan h TYR 25 Ca -0.02 0.04 0.14 0.00 2.00 0.00 0.00 58.73 60.89 2qan h TYR 25 Cb 0.41 0.56 -0.14 0.00 1.00 0.00 0.00 36.73 38.56 2qan h TYR 25 CO 0.07 -0.46 -0.29 1.79 -0.00 0.00 0.00 178.16 179.27 2qan h THR 26 N -0.52 0.15 0.03 -2.88 1.35 -1.35 0.13 112.91 109.81 2qan h THR 26 Ca 0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2qan h THR 26 Cb 0.57 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 2qan h THR 26 CO -0.30 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 174.95 2qan h ALA 27 N 1.40 -0.04 -0.74 6.62 0.00 -1.23 -1.26 119.26 124.01 2qan h ALA 27 Ca 0.32 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.33 2qan h ALA 27 Cb 0.57 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 2qan h ALA 27 CO -0.80 -0.51 0.33 0.00 0.00 0.00 0.00 179.25 178.27 2qan h ALA 28 N 0.92 1.04 0.42 0.00 0.00 0.12 0.41 119.26 122.17 2qan h ALA 28 Ca -0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qan h ALA 28 Cb 0.05 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2qan h ALA 28 CO 0.01 -0.15 -0.20 0.82 0.00 0.00 0.00 179.25 179.73 2qan h ILE 29 N 0.51 0.58 -0.81 0.00 2.04 -0.53 -3.06 117.51 116.23 2qan h ILE 29 Ca 0.39 -0.27 0.05 0.00 1.00 0.00 0.00 64.86 66.03 2qan h ILE 29 Cb 0.53 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 2qan h ILE 29 CO -0.35 0.05 0.51 0.74 0.00 0.00 0.00 178.15 179.09 2qan h THR 30 N -0.72 1.06 -1.00 -0.27 2.02 -0.71 0.15 112.91 113.45 2qan h THR 30 Ca -0.06 -0.32 0.24 0.00 0.77 0.00 0.00 66.41 67.04 2qan h THR 30 Cb 0.51 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.87 2qan h THR 30 CO 0.09 0.17 0.64 1.23 0.37 0.00 0.00 175.52 178.03 2qan h GLY 31 N 0.94 1.19 -3.73 2.16 0.00 -0.11 0.30 103.07 103.82 2qan h GLY 31 Ca 0.35 -0.22 -0.50 0.00 0.00 0.00 0.00 47.33 46.96 2qan h GLY 31 CO -0.15 -0.09 0.64 0.00 0.00 0.00 0.00 176.54 176.94 2qan n ALA 32 N -2.47 5.60 -2.25 3.60 0.00 -0.68 -4.81 120.51 119.51 2qan n ALA 32 Ca 0.23 -2.61 -0.19 0.00 0.00 0.00 0.00 53.44 50.88 2qan n ALA 32 Cb 0.79 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 2qan n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qan n GLU 33 N -0.50 -1.47 -0.74 0.00 -0.58 0.10 -4.78 120.64 112.67 2qan n GLU 33 Ca 0.49 0.94 -0.23 0.00 -0.42 0.00 0.00 57.16 57.94 2qan n GLU 33 Cb 0.84 -5.45 0.19 0.00 -0.57 0.00 0.00 31.44 26.45 2qan n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qan n GLY 34 N -0.97 -2.79 3.16 0.62 0.00 0.45 -4.91 105.19 100.74 2qan n GLY 34 Ca -0.22 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.37 2qan n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qan s LYS 35 N -4.87 0.61 -0.01 1.61 2.20 -1.21 -4.63 119.74 113.45 2qan s LYS 35 Ca 0.54 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 2qan s LYS 35 Cb -0.06 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 2qan s LYS 35 CO 0.42 -1.08 1.04 0.42 -0.36 0.00 0.00 175.35 175.79 2qan s ILE 36 N 2.63 4.66 -0.91 5.43 1.01 -1.26 -1.09 121.20 131.66 2qan s ILE 36 Ca 0.11 1.91 0.08 0.00 0.00 0.00 0.00 60.65 62.75 2qan s ILE 36 Cb -0.09 -4.23 0.11 0.00 0.01 0.00 0.00 42.46 38.27 2qan s ILE 36 CO -0.22 0.12 0.88 1.41 0.00 0.00 0.00 174.94 177.12 2qan n HIS 37 N 4.16 0.10 -3.67 3.97 8.25 -1.04 -4.98 115.22 122.01 2qan n HIS 37 Ca 0.07 -0.14 -0.04 0.00 -0.26 0.00 0.00 57.72 57.35 2qan n HIS 37 Cb 0.49 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 2qan n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qan s ARG 38 N -0.77 1.01 -0.30 -0.41 3.52 -1.22 -4.51 118.95 116.27 2qan s ARG 38 Ca 0.12 -0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 55.03 2qan s ARG 38 Cb 0.07 0.37 0.20 0.00 -1.56 0.00 0.00 34.95 34.03 2qan s ARG 38 CO 0.10 -0.46 1.23 -1.17 -0.81 0.00 0.00 175.30 174.19 2qan s LEU 39 N -2.81 -0.15 -0.05 -0.88 1.98 -1.24 -4.53 118.68 111.01 2qan s LEU 39 Ca 0.10 0.22 -0.02 0.00 -2.89 0.00 0.00 54.13 51.54 2qan s LEU 39 Cb -0.01 1.19 0.03 0.00 0.66 0.00 0.00 46.19 48.06 2qan s LEU 39 CO -0.01 -0.03 0.10 -1.61 -1.89 0.00 0.00 176.35 172.91 2qan s GLU 40 N 1.61 0.06 -0.81 1.98 2.02 -1.26 -4.98 118.70 117.33 2qan s GLU 40 Ca -0.04 0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.18 2qan s GLU 40 Cb -0.02 -0.14 0.20 0.00 0.10 0.00 0.00 34.13 34.28 2qan s GLU 40 CO -0.14 -0.13 0.68 0.34 0.02 0.00 0.00 175.26 176.04 2qan s ASP 41 N 0.86 5.84 0.00 -0.19 3.68 -1.26 -0.20 116.67 125.40 2qan s ASP 41 Ca -0.07 -3.39 0.09 0.00 2.13 0.00 0.00 52.55 51.31 2qan s ASP 41 Cb -0.09 -1.92 0.46 0.00 -1.45 0.00 0.00 42.92 39.92 2qan s ASP 41 CO -0.04 -0.27 1.15 0.79 0.13 0.00 0.00 175.17 176.94 2qan n TRP 42 N 2.79 0.00 -2.35 -5.34 8.01 -1.17 -4.94 117.44 114.44 2qan n TRP 42 Ca 0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 2qan n TRP 42 Cb 0.38 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.41 2qan n TRP 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qan n GLY 43 N -0.52 0.80 3.50 6.99 0.00 -1.14 -4.68 105.19 110.14 2qan n GLY 43 Ca 0.04 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2qan n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qan n ARG 44 N 0.00 -0.18 -3.64 1.61 0.63 -1.26 -1.70 116.66 112.13 2qan n ARG 44 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 2qan n ARG 44 Cb 0.00 -2.02 -0.06 0.00 0.45 0.00 0.00 32.46 30.83 2qan n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qan s ARG 45 N -3.76 0.19 0.94 -0.14 3.52 -0.34 -4.83 118.95 114.53 2qan s ARG 45 Ca 0.62 0.14 -0.10 0.00 -0.13 0.00 0.00 55.73 56.26 2qan s ARG 45 Cb -0.24 0.09 0.16 0.00 -1.56 0.00 0.00 34.95 33.39 2qan s ARG 45 CO 0.62 -0.04 1.09 0.94 -0.81 0.00 0.00 175.30 177.11 2qan n GLN 46 N 1.30 -0.64 -5.00 5.12 -0.06 -1.26 -1.67 117.38 115.18 2qan n GLN 46 Ca -0.08 -0.12 -0.29 0.00 -2.00 0.00 0.00 57.00 54.51 2qan n GLN 46 Cb 0.57 -2.33 -0.15 0.00 -4.06 0.00 0.00 30.24 24.27 2qan n GLN 46 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2qan s LEU 47 N -6.35 2.11 0.11 1.69 1.43 -0.86 -4.72 118.68 112.09 2qan s LEU 47 Ca 0.67 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 2qan s LEU 47 Cb -0.23 -1.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.69 2qan s LEU 47 CO 0.59 0.26 1.76 0.00 0.23 0.00 0.00 176.35 179.19 2qan h ALA 48 N 5.16 0.18 -2.81 4.21 0.00 -1.95 -3.44 119.26 120.60 2qan h ALA 48 Ca -0.43 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.18 2qan h ALA 48 Cb 1.14 -0.06 -0.19 0.00 0.00 0.00 0.00 17.79 18.69 2qan h ALA 48 CO 0.45 -0.33 -0.73 1.52 0.00 0.00 0.00 179.25 180.17 2qan s TYR 49 N -6.14 0.86 -0.71 0.00 1.13 -1.26 -5.05 117.35 106.17 2qan s TYR 49 Ca -0.13 -0.65 -0.22 0.00 -1.41 0.00 0.00 57.07 54.66 2qan s TYR 49 Cb 0.08 -0.49 -0.17 0.00 -1.10 0.00 0.00 41.96 40.27 2qan s TYR 49 CO 0.68 -0.07 1.90 -0.35 -2.51 0.00 0.00 175.55 175.20 2qan n PRO 50 N 0.80 1.41 -1.85 -3.49 -0.04 -1.26 -4.90 135.00 125.66 2qan n PRO 50 Ca -0.18 -1.75 -0.42 0.00 -0.04 0.00 0.00 63.50 61.10 2qan n PRO 50 Cb 0.57 -2.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 2qan n PRO 50 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2qan s ILE 51 N 5.07 3.22 -1.48 0.52 2.07 -1.26 -2.00 121.20 127.35 2qan s ILE 51 Ca 0.57 0.37 -0.10 0.00 -1.41 0.00 0.00 60.65 60.08 2qan s ILE 51 Cb 0.14 -3.24 0.06 0.00 0.13 0.00 0.00 42.46 39.56 2qan s ILE 51 CO 0.13 -0.03 0.87 -3.20 -1.91 0.00 0.00 174.94 170.80 2qan n ASN 52 N 6.96 -3.54 -0.15 4.50 5.15 -1.26 -4.62 115.26 122.30 2qan n ASN 52 Ca 0.18 -0.81 0.02 0.00 -0.60 0.00 0.00 54.58 53.37 2qan n ASN 52 Cb 0.41 -3.83 -0.01 0.00 -0.53 0.00 0.00 39.78 35.83 2qan n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2qan n LYS 53 N -4.55 -0.31 -1.44 1.20 0.00 -0.85 -5.07 118.16 107.14 2qan n LYS 53 Ca -0.06 0.22 0.16 0.00 0.00 0.00 0.00 58.31 58.62 2qan n LYS 53 Cb 0.57 -0.37 -0.09 0.00 0.00 0.00 0.00 35.03 35.14 2qan n LYS 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2qan n LEU 54 N -2.14 -1.05 -0.26 3.14 7.99 -1.26 -4.81 117.00 118.61 2qan n LEU 54 Ca -0.00 2.38 0.08 0.00 -0.01 0.00 0.00 56.01 58.46 2qan n LEU 54 Cb 0.07 -3.04 0.14 0.00 -0.11 0.00 0.00 43.42 40.48 2qan n LEU 54 CO 0.00 -1.97 0.48 1.41 -1.51 0.00 0.00 177.39 175.80 2qan n HIS 55 N -4.21 0.00 -3.79 -1.77 8.25 -1.26 -4.00 115.22 108.44 2qan n HIS 55 Ca -0.09 -1.01 -0.13 0.00 -0.26 0.00 0.00 57.72 56.23 2qan n HIS 55 Cb 0.65 -0.16 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 2qan n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qan s LYS 56 N -2.64 0.21 0.02 -0.41 1.02 -1.26 -2.03 119.74 114.64 2qan s LYS 56 Ca 0.31 0.31 -0.02 0.00 0.02 0.00 0.00 55.97 56.58 2qan s LYS 56 Cb 0.28 0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.64 2qan s LYS 56 CO 0.00 -0.05 0.02 0.00 -0.92 0.00 0.00 175.35 174.39 2qan s ALA 57 N 0.32 0.03 -0.53 5.17 0.00 -0.67 -4.28 121.76 121.79 2qan s ALA 57 Ca -0.02 -0.52 -0.16 0.00 0.00 0.00 0.00 51.96 51.27 2qan s ALA 57 Cb -0.03 0.15 0.13 0.00 0.00 0.00 0.00 23.12 23.37 2qan s ALA 57 CO -0.01 -0.19 0.49 -1.58 0.00 0.00 0.00 175.76 174.46 2qan s HIS 58 N -1.65 3.26 0.58 0.00 2.46 -0.35 -1.20 115.29 118.39 2qan s HIS 58 Ca -0.14 -1.32 -0.11 0.00 0.47 0.00 0.00 55.06 53.96 2qan s HIS 58 Cb -0.08 -3.76 -0.05 0.00 -0.13 0.00 0.00 32.58 28.56 2qan s HIS 58 CO -0.01 -1.01 0.98 0.71 -2.47 0.00 0.00 174.74 172.94 2qan s TYR 59 N 1.59 3.58 -0.02 3.88 1.51 -0.69 0.66 117.35 127.86 2qan s TYR 59 Ca 0.03 1.26 -0.19 0.00 -1.01 0.00 0.00 57.07 57.16 2qan s TYR 59 Cb -0.30 -2.68 0.04 0.00 -0.11 0.00 0.00 41.96 38.91 2qan s TYR 59 CO 0.03 -0.56 0.41 0.08 -1.11 0.00 0.00 175.55 174.40 2qan s VAL 60 N -2.99 0.04 0.49 0.71 1.01 -0.72 -2.88 120.40 116.05 2qan s VAL 60 Ca 0.55 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 62.22 2qan s VAL 60 Cb -0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 2qan s VAL 60 CO 0.48 -0.19 0.16 -0.76 0.00 0.00 0.00 175.10 174.78 2qan s LEU 61 N -1.31 2.66 0.00 3.92 2.01 0.73 -2.32 118.68 124.37 2qan s LEU 61 Ca -0.13 -1.37 0.00 0.00 0.01 0.00 0.00 54.13 52.64 2qan s LEU 61 Cb -0.04 -1.05 0.00 0.00 0.01 0.00 0.00 46.19 45.12 2qan s LEU 61 CO 0.06 -0.80 0.00 0.80 1.01 0.00 0.00 176.35 177.41 2qan n MET 62 N -1.36 0.00 -2.35 1.70 1.56 -0.38 -4.16 117.12 112.13 2qan n MET 62 Ca -0.09 0.00 -0.03 0.00 -0.27 0.00 0.00 57.70 57.31 2qan n MET 62 Cb 0.66 0.00 0.02 0.00 2.15 0.00 0.00 33.22 36.04 2qan n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qan n ASN 63 N -0.20 -4.76 -3.08 6.12 4.13 -1.18 -3.46 115.26 112.84 2qan n ASN 63 Ca 0.00 -0.17 -0.08 0.00 1.68 0.00 0.00 54.58 56.00 2qan n ASN 63 Cb 0.00 -3.11 0.04 0.00 -1.54 0.00 0.00 39.78 35.16 2qan n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2qan n VAL 64 N -1.81 0.00 -3.03 2.41 0.31 -0.85 -2.48 118.33 112.87 2qan n VAL 64 Ca -0.02 -0.69 -0.17 0.00 -0.01 0.00 0.00 64.34 63.46 2qan n VAL 64 Cb 0.53 -0.99 -0.01 0.00 -0.91 0.00 0.00 33.84 32.45 2qan n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qan n GLU 65 N -1.61 0.83 -4.52 5.55 2.13 -0.25 -1.98 120.64 120.80 2qan n GLU 65 Ca 0.06 -2.76 -0.26 0.00 0.66 0.00 0.00 57.16 54.87 2qan n GLU 65 Cb 0.23 -1.37 -0.10 0.00 0.27 0.00 0.00 31.44 30.47 2qan n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qan s ALA 66 N -0.88 3.07 0.27 4.31 0.00 -1.22 -3.32 121.76 123.98 2qan s ALA 66 Ca 0.34 -2.12 -0.30 0.00 0.00 0.00 0.00 51.96 49.88 2qan s ALA 66 Cb 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 23.12 23.20 2qan s ALA 66 CO -0.12 0.03 1.45 -1.25 0.00 0.00 0.00 175.76 175.86 2qan s PRO 67 N -3.66 4.25 0.21 0.00 0.04 -1.26 -3.63 135.00 130.95 2qan s PRO 67 Ca 0.34 2.34 0.07 0.00 0.04 0.00 0.00 61.00 63.79 2qan s PRO 67 Cb 0.04 -3.09 0.66 0.00 0.04 0.00 0.00 34.50 32.15 2qan s PRO 67 CO 0.17 -0.43 0.97 0.00 0.04 0.00 0.00 177.00 177.75 2qan n GLN 68 N 2.07 -0.04 0.00 4.56 10.64 -1.26 -2.07 117.38 131.27 2qan n GLN 68 Ca 0.06 0.88 0.00 0.00 -1.83 0.00 0.00 57.00 56.11 2qan n GLN 68 Cb 0.40 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 2qan n GLN 68 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2qan n GLU 69 N -4.58 0.00 -0.17 2.61 2.13 -1.26 0.32 120.64 119.70 2qan n GLU 69 Ca 0.19 0.62 -0.05 0.00 0.66 0.00 0.00 57.16 58.58 2qan n GLU 69 Cb 0.65 -1.20 0.02 0.00 0.27 0.00 0.00 31.44 31.17 2qan n GLU 69 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2qan h VAL 70 N 0.00 0.28 -0.68 6.31 -1.51 -1.79 0.39 116.25 119.25 2qan h VAL 70 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.54 2qan h VAL 70 Cb 0.00 0.28 -0.04 0.00 -2.13 0.00 0.00 31.29 29.40 2qan h VAL 70 CO 0.00 0.00 0.45 -0.29 -1.23 0.00 0.00 177.57 176.50 2qan h ILE 71 N -0.14 0.99 -0.33 7.19 6.09 -1.54 0.57 117.51 130.33 2qan h ILE 71 Ca 0.23 -0.22 -0.15 0.00 -1.37 0.00 0.00 64.86 63.35 2qan h ILE 71 Cb 0.51 0.28 -0.01 0.00 0.47 0.00 0.00 36.82 38.07 2qan h ILE 71 CO -0.60 0.12 -0.39 -0.78 -3.07 0.00 0.00 178.15 173.43 2qan h ASP 72 N 0.65 0.83 0.18 2.19 3.58 0.31 0.20 116.42 124.38 2qan h ASP 72 Ca 0.30 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2qan h ASP 72 Cb 0.33 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2qan h ASP 72 CO -0.10 1.12 -0.08 -0.33 -2.88 0.00 0.00 179.24 176.98 2qan h GLU 73 N 0.64 0.00 0.22 0.28 5.08 0.17 -2.02 114.58 118.95 2qan h GLU 73 Ca 0.05 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.08 2qan h GLU 73 Cb 0.94 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.22 2qan h GLU 73 CO 0.09 0.08 -1.57 1.25 -1.00 0.00 0.00 179.01 177.85 2qan h LEU 74 N 0.00 0.73 -1.62 1.33 5.85 -0.32 -3.29 115.31 117.99 2qan h LEU 74 Ca -0.00 -0.88 0.11 0.00 0.84 0.00 0.00 57.88 57.94 2qan h LEU 74 Cb 0.19 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2qan h LEU 74 CO 0.01 1.71 0.61 -0.33 -0.34 0.00 0.00 178.44 180.11 2qan h GLU 75 N 0.13 0.00 0.10 1.25 5.08 -0.21 -0.30 114.58 120.64 2qan h GLU 75 Ca -0.28 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.77 2qan h GLU 75 Cb 2.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.37 2qan h GLU 75 CO 0.24 0.00 -1.66 1.79 -1.00 0.00 0.00 179.01 178.38 2qan h THR 76 N 0.00 0.83 -1.01 1.13 1.35 -1.62 -3.38 112.91 110.21 2qan h THR 76 Ca 0.18 -2.34 0.15 0.00 -0.55 0.00 0.00 66.41 63.85 2qan h THR 76 Cb 1.40 2.53 -0.09 0.00 -1.73 0.00 0.00 68.15 70.26 2qan h THR 76 CO -0.00 0.72 0.62 0.71 -0.25 0.00 0.00 175.52 177.33 2qan h THR 77 N -0.25 0.83 0.00 6.82 1.35 -1.12 0.43 112.91 120.96 2qan h THR 77 Ca -0.37 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2qan h THR 77 Cb 1.81 -0.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2qan h THR 77 CO 0.03 0.16 -0.01 -0.26 -0.25 0.00 0.00 175.52 175.19 2qan h PHE 78 N 0.89 0.00 0.03 4.73 0.05 -1.66 -1.58 116.94 119.41 2qan h PHE 78 Ca 0.53 0.00 -0.29 0.00 3.82 0.00 0.00 57.97 62.04 2qan h PHE 78 Cb 0.67 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.58 2qan h PHE 78 CO -0.00 0.01 -1.59 0.00 -0.18 0.00 0.00 178.31 176.55 2qan h ARG 79 N 0.00 0.05 -1.94 1.51 2.47 -0.35 -3.36 114.38 112.77 2qan h ARG 79 Ca -0.00 -0.09 -0.75 0.00 -1.26 0.00 0.00 59.98 57.88 2qan h ARG 79 Cb 0.04 0.03 -0.29 0.00 -1.65 0.00 0.00 29.97 28.11 2qan h ARG 79 CO 0.00 0.72 0.85 1.19 0.56 0.00 0.00 179.97 183.29 2qan n PHE 80 N -3.19 3.03 -3.05 3.04 3.72 -0.61 -4.70 117.46 115.70 2qan n PHE 80 Ca -0.15 -2.42 -0.11 0.00 -0.05 0.00 0.00 57.45 54.72 2qan n PHE 80 Cb 1.03 -1.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.48 2qan n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2qan s ASN 81 N -1.39 -0.41 0.28 4.37 3.84 -1.14 -4.95 114.94 115.55 2qan s ASN 81 Ca 0.52 -1.91 0.19 0.00 0.21 0.00 0.00 52.86 51.86 2qan s ASN 81 Cb 0.44 1.16 1.00 0.00 -0.55 0.00 0.00 41.25 43.29 2qan s ASN 81 CO -0.39 -0.12 1.10 0.47 -2.79 0.00 0.00 177.10 175.37 2qan n ASP 82 N 3.29 0.20 -0.07 -4.21 10.43 -1.26 -0.19 116.55 124.74 2qan n ASP 82 Ca 0.19 1.07 -0.08 0.00 2.57 0.00 0.00 54.79 58.54 2qan n ASP 82 Cb 0.53 -0.52 -0.01 0.00 1.84 0.00 0.00 41.12 42.95 2qan n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qan h ALA 83 N 1.25 -0.12 -2.61 2.24 0.00 -1.95 -3.41 119.26 114.67 2qan h ALA 83 Ca 0.61 0.09 -0.53 0.00 0.00 0.00 0.00 54.91 55.08 2qan h ALA 83 Cb 1.79 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 20.10 2qan h ALA 83 CO -0.43 -0.67 0.28 0.54 0.00 0.00 0.00 179.25 178.97 2qan s VAL 84 N -6.07 4.57 0.00 0.00 0.11 0.74 -0.27 120.40 119.48 2qan s VAL 84 Ca -0.15 1.90 0.00 0.00 -2.93 0.00 0.00 61.98 60.80 2qan s VAL 84 Cb 0.13 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 2qan s VAL 84 CO 0.68 0.34 0.00 -0.38 -3.33 0.00 0.00 175.10 172.41 2qan n ILE 85 N 2.74 0.00 -1.79 7.04 5.41 -0.88 -4.84 119.36 127.04 2qan n ILE 85 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 2qan n ILE 85 Cb 0.49 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.42 2qan n ILE 85 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2qan s ARG 86 N 2.95 4.11 0.04 0.38 3.00 -1.26 -4.90 118.95 123.27 2qan s ARG 86 Ca 0.00 2.58 0.00 0.00 -1.00 0.00 0.00 55.73 57.32 2qan s ARG 86 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 34.95 31.94 2qan s ARG 86 CO 0.00 -0.57 -0.04 0.45 0.00 0.00 0.00 175.30 175.14 2qan s SER 87 N 0.06 0.50 0.05 -2.12 0.15 -1.26 -3.19 113.70 107.88 2qan s SER 87 Ca 0.56 -0.65 -0.12 0.00 0.70 0.00 0.00 55.95 56.44 2qan s SER 87 Cb -0.47 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 63.96 2qan s SER 87 CO 0.59 -0.35 0.27 -0.32 1.20 0.00 0.00 173.24 174.63 2qan s MET 88 N -2.14 0.79 -0.28 5.44 0.00 -1.22 -5.05 119.30 116.84 2qan s MET 88 Ca -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 55.69 55.04 2qan s MET 88 Cb -0.05 0.34 0.15 0.00 0.00 0.00 0.00 34.83 35.27 2qan s MET 88 CO -0.03 -0.25 0.40 0.54 0.00 0.00 0.00 175.02 175.69 2qan s VAL 89 N -2.67 -0.63 0.00 10.11 0.11 -1.26 -2.18 120.40 123.88 2qan s VAL 89 Ca -0.04 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2qan s VAL 89 Cb -0.00 -0.95 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2qan s VAL 89 CO -0.04 -0.25 0.00 0.23 -3.33 0.00 0.00 175.10 171.71 2qan n MET 90 N 5.36 0.17 -3.83 1.54 2.81 -0.80 -4.87 117.12 117.50 2qan n MET 90 Ca -0.00 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.63 2qan n MET 90 Cb 0.49 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.99 2qan n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qan n ARG 91 N -0.73 0.79 0.00 0.03 1.85 -1.26 -3.46 116.66 113.88 2qan n ARG 91 Ca 0.00 -3.17 0.00 0.00 -1.00 0.00 0.00 57.85 53.68 2qan n ARG 91 Cb 0.00 0.49 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 2qan n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qan n THR 92 N -1.52 0.00 -1.44 8.89 -1.04 0.30 -4.15 114.28 115.32 2qan n THR 92 Ca -0.07 0.23 -0.09 0.00 -2.04 0.00 0.00 64.05 62.08 2qan n THR 92 Cb 0.57 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 68.16 2qan n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qan n LYS 93 N 0.00 -0.63 -1.17 -2.82 5.02 -1.26 -4.53 118.16 112.77 2qan n LYS 93 Ca 0.00 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 2qan n LYS 93 Cb 0.00 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 2qan n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qan n HIS 94 N -3.01 -1.11 -0.66 2.13 8.25 -1.26 -4.89 115.22 114.66 2qan n HIS 94 Ca -0.09 0.66 -0.26 0.00 -0.26 0.00 0.00 57.72 57.77 2qan n HIS 94 Cb 0.35 -2.41 -0.04 0.00 1.12 0.00 0.00 29.99 29.01 2qan n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qan n ALA 95 N 0.42 -0.89 -2.91 -1.41 0.00 -1.26 -4.95 120.51 109.51 2qan n ALA 95 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.38 2qan n ALA 95 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 2qan n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qan s VAL 96 N 0.84 5.17 0.01 0.00 1.01 -1.26 -5.12 120.40 121.05 2qan s VAL 96 Ca 0.40 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2qan s VAL 96 Cb -0.57 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.19 2qan s VAL 96 CO 0.30 -0.06 0.25 -0.89 0.00 0.00 0.00 175.10 174.69 2qan s THR 97 N -1.71 0.08 0.24 3.92 2.01 -1.26 -4.51 115.64 114.40 2qan s THR 97 Ca 0.34 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.67 2qan s THR 97 Cb -0.11 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2qan s THR 97 CO 0.27 -0.37 0.00 -1.84 -0.69 0.00 0.00 174.62 172.00 2qan n GLU 98 N 1.01 -2.04 0.00 4.92 0.00 -1.26 -4.94 120.64 118.32 2qan n GLU 98 Ca -0.20 1.35 0.00 0.00 0.00 0.00 0.00 57.16 58.31 2qan n GLU 98 Cb 0.57 -2.49 0.00 0.00 0.00 0.00 0.00 31.44 29.52 2qan n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qan n ALA 99 N -1.77 0.00 -0.96 -1.84 0.00 -1.26 -5.13 120.51 109.55 2qan n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qan n ALA 99 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2qan n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93