#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qls n LEU 2 N 0.00 -0.82 0.00 6.55 7.94 -1.26 -5.14 117.00 124.27 2qls n LEU 2 Ca 0.00 0.00 -0.27 0.00 -1.11 0.00 0.00 56.01 54.63 2qls n LEU 2 Cb 0.00 -0.41 0.17 0.00 0.53 0.00 0.00 43.42 43.71 2qls n LEU 2 CO 0.00 0.00 0.75 -1.54 -1.11 0.00 0.00 177.39 175.49 2qls n SER 3 N -0.13 0.53 0.05 1.96 3.41 -1.26 -4.89 113.62 113.30 2qls n SER 3 Ca 0.00 -1.70 0.13 0.00 -0.26 0.00 0.00 58.87 57.04 2qls n SER 3 Cb 0.00 -0.87 0.35 0.00 -0.26 0.00 0.00 64.21 63.43 2qls n SER 3 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2qls n PRO 4 N -3.42 0.17 -0.16 4.33 -0.02 -1.26 -1.55 135.00 133.08 2qls n PRO 4 Ca 0.16 0.09 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 2qls n PRO 4 Cb 0.57 -1.64 0.02 0.00 -0.02 0.00 0.00 33.50 32.42 2qls n PRO 4 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qls h ALA 5 N 2.71 0.62 0.01 3.55 0.00 -2.00 -0.57 119.26 123.58 2qls h ALA 5 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2qls h ALA 5 Cb 0.64 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qls h ALA 5 CO 0.00 0.09 -0.01 -0.44 0.00 0.00 0.00 179.25 178.89 2qls h ASP 6 N 0.65 -0.02 -0.44 0.00 3.45 -1.86 -0.86 116.42 117.34 2qls h ASP 6 Ca 0.18 0.00 0.08 0.00 0.43 0.00 0.00 57.03 57.72 2qls h ASP 6 Cb -0.04 0.01 -0.10 0.00 -0.56 0.00 0.00 39.33 38.64 2qls h ASP 6 CO -0.04 -0.01 -0.35 0.50 -1.57 0.00 0.00 179.24 177.77 2qls h LYS 7 N -0.02 -0.24 -0.59 3.56 3.64 -1.30 1.29 116.57 122.91 2qls h LYS 7 Ca -0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2qls h LYS 7 Cb 0.01 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 2qls h LYS 7 CO -0.00 -0.16 -0.35 2.41 -2.27 0.00 0.00 179.45 179.08 2qls n THR 8 N -5.42 -0.40 -0.14 1.00 -1.04 -0.23 -1.47 114.28 106.59 2qls n THR 8 Ca 0.01 1.63 -0.04 0.00 -2.04 0.00 0.00 64.05 63.61 2qls n THR 8 Cb 0.34 -2.03 0.04 0.00 -1.82 0.00 0.00 70.33 66.86 2qls n THR 8 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2qls h ASN 9 N 0.00 -0.22 -0.95 8.00 -0.26 0.30 -0.36 115.58 122.10 2qls h ASN 9 Ca 0.09 0.11 0.16 0.00 -0.56 0.00 0.00 56.30 56.10 2qls h ASN 9 Cb 0.24 0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 37.61 2qls h ASN 9 CO -0.55 -0.07 0.60 0.40 -1.06 0.00 0.00 177.43 176.75 2qls h ILE 10 N 0.09 0.79 -0.06 2.81 1.08 -0.78 -0.13 117.51 121.31 2qls h ILE 10 Ca 0.22 -0.25 -0.18 0.00 -0.39 0.00 0.00 64.86 64.25 2qls h ILE 10 Cb 0.32 -0.01 0.01 0.00 -3.07 0.00 0.00 36.82 34.08 2qls h ILE 10 CO -0.38 0.13 -0.68 0.11 -0.69 0.00 0.00 178.15 176.65 2qls h LYS 11 N 0.73 0.56 0.21 2.37 1.57 0.02 -2.95 116.57 119.09 2qls h LYS 11 Ca 0.50 -0.53 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2qls h LYS 11 Cb 0.80 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2qls h LYS 11 CO -0.26 1.15 -0.10 0.77 -0.57 0.00 0.00 179.45 180.44 2qls h SER 12 N 0.16 -0.24 -0.68 0.86 0.02 -1.13 0.37 113.55 112.91 2qls h SER 12 Ca -0.07 -0.21 0.20 0.00 -0.84 0.00 0.00 61.79 60.87 2qls h SER 12 Cb 1.34 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.92 2qls h SER 12 CO 0.14 0.09 0.56 0.71 -1.14 0.00 0.00 176.83 177.19 2qls h THR 13 N -0.59 0.48 0.04 -2.27 1.35 -1.13 -1.31 112.91 109.47 2qls h THR 13 Ca -0.03 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.49 2qls h THR 13 Cb 0.43 0.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.40 2qls h THR 13 CO 0.05 0.00 -2.03 1.87 -0.25 0.00 0.00 175.52 175.16 2qls n TRP 14 N -4.03 0.77 -0.31 4.73 -0.00 -0.37 -1.29 117.44 116.93 2qls n TRP 14 Ca 0.14 0.22 0.16 0.00 -0.00 0.00 0.00 57.50 58.02 2qls n TRP 14 Cb 0.82 -1.12 0.35 0.00 -0.00 0.00 0.00 31.31 31.35 2qls n TRP 14 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 2qls h ASP 15 N 0.02 0.13 1.57 5.87 3.45 -0.02 -0.76 116.42 126.68 2qls h ASP 15 Ca -0.42 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.24 2qls h ASP 15 Cb 2.04 0.24 0.00 0.00 -0.56 0.00 0.00 39.33 41.06 2qls h ASP 15 CO 0.05 -0.17 -0.03 0.11 -1.57 0.00 0.00 179.24 177.63 2qls h LYS 16 N 0.23 0.00 0.00 3.56 1.57 -0.66 -2.79 116.57 118.47 2qls h LYS 16 Ca 0.61 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 59.17 2qls h LYS 16 Cb 1.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.57 2qls h LYS 16 CO -0.66 0.00 -1.13 0.97 -0.57 0.00 0.00 179.45 178.06 2qls h ILE 17 N 0.00 1.37 0.00 1.86 -0.00 -0.12 -3.47 117.51 117.15 2qls h ILE 17 Ca 0.00 -3.07 0.00 0.00 -0.00 0.00 0.00 64.86 61.79 2qls h ILE 17 Cb 0.80 2.67 0.00 0.00 -0.00 0.00 0.00 36.82 40.29 2qls h ILE 17 CO 0.00 0.78 0.00 0.61 -0.00 0.00 0.00 178.15 179.54 2qls n GLY 18 N 1.39 0.59 0.00 8.18 0.00 -0.40 -0.59 105.19 114.36 2qls n GLY 18 Ca -0.04 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.24 2qls n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qls n GLY 19 N 0.00 -0.54 0.00 -0.02 0.00 -1.26 -2.71 105.19 100.67 2qls n GLY 19 Ca 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.03 2qls n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qls n HIS 20 N -0.87 0.00 -0.15 1.61 8.25 0.25 -4.30 115.22 120.01 2qls n HIS 20 Ca 0.09 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.69 2qls n HIS 20 Cb 0.04 -0.20 0.25 0.00 1.12 0.00 0.00 29.99 31.20 2qls n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qls n ALA 21 N -1.78 0.44 0.05 -1.41 0.00 -1.10 -0.93 120.51 115.79 2qls n ALA 21 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 2qls n ALA 21 Cb 0.39 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 2qls n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qls h GLY 22 N 0.00 0.73 2.00 0.00 0.00 -1.84 0.43 103.07 104.38 2qls h GLY 22 Ca 0.37 -1.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.36 2qls h GLY 22 CO -0.35 1.16 -0.16 -0.55 0.00 0.00 0.00 176.54 176.64 2qls h ASP 23 N 0.36 0.00 0.38 0.19 3.45 -1.34 -2.98 116.42 116.49 2qls h ASP 23 Ca -0.13 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.01 2qls h ASP 23 Cb 1.71 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 40.50 2qls h ASP 23 CO 0.20 0.16 -1.46 1.88 -1.57 0.00 0.00 179.24 178.45 2qls h TYR 24 N 0.00 0.75 -0.59 4.55 0.99 -0.34 -1.98 116.97 120.36 2qls h TYR 24 Ca -0.00 -0.55 0.10 0.00 2.00 0.00 0.00 58.73 60.28 2qls h TYR 24 Cb 0.70 -0.03 -0.08 0.00 1.00 0.00 0.00 36.73 38.33 2qls h TYR 24 CO 0.00 1.48 0.18 0.78 -0.00 0.00 0.00 178.16 180.60 2qls h GLY 25 N 0.82 0.80 -0.27 3.88 0.00 -1.08 -1.23 103.07 105.99 2qls h GLY 25 Ca -0.23 -0.08 0.09 0.00 0.00 0.00 0.00 47.33 47.10 2qls h GLY 25 CO 0.23 -0.05 -0.34 -1.33 0.00 0.00 0.00 176.54 175.05 2qls h GLY 26 N 0.34 -0.23 0.83 4.60 0.00 -1.39 -2.98 103.07 104.24 2qls h GLY 26 Ca 0.30 0.43 -0.05 0.00 0.00 0.00 0.00 47.33 48.01 2qls h GLY 26 CO -0.33 -0.20 -0.07 -2.09 0.00 0.00 0.00 176.54 173.84 2qls h GLU 27 N -0.23 0.44 -0.75 4.80 4.81 -0.78 -1.61 114.58 121.27 2qls h GLU 27 Ca 0.19 -0.18 0.12 0.00 -0.13 0.00 0.00 59.36 59.37 2qls h GLU 27 Cb 0.55 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 2qls h GLU 27 CO -0.59 0.69 0.50 0.00 -0.73 0.00 0.00 179.01 178.88 2qls h ALA 28 N 0.74 1.96 -0.22 2.92 0.00 -1.29 0.12 119.26 123.49 2qls h ALA 28 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qls h ALA 28 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qls h ALA 28 CO 0.03 -0.14 0.08 -0.07 0.00 0.00 0.00 179.25 179.15 2qls h LEU 29 N 0.54 0.31 -0.23 0.00 3.38 -1.32 -2.11 115.31 115.88 2qls h LEU 29 Ca 0.36 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2qls h LEU 29 Cb 0.65 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2qls h LEU 29 CO -0.13 0.41 -0.30 0.44 0.09 0.00 0.00 178.44 178.95 2qls h ASP 30 N 0.19 -1.02 -0.74 -0.43 3.32 -0.64 0.40 116.42 117.51 2qls h ASP 30 Ca 0.07 0.13 0.20 0.00 0.02 0.00 0.00 57.03 57.46 2qls h ASP 30 Cb 0.20 0.42 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 2qls h ASP 30 CO -0.00 -0.22 0.52 0.03 -1.72 0.00 0.00 179.24 177.85 2qls h ARG 31 N -0.21 0.09 -0.11 3.56 3.08 -0.80 -1.03 114.38 118.97 2qls h ARG 31 Ca 0.04 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 2qls h ARG 31 Cb 0.32 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.36 2qls h ARG 31 CO -0.33 0.06 -0.51 1.15 -1.07 0.00 0.00 179.97 179.27 2qls h THR 32 N 0.10 1.36 -0.19 2.04 2.02 -0.43 -0.06 112.91 117.75 2qls h THR 32 Ca 0.36 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.69 2qls h THR 32 Cb 1.28 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 2qls h THR 32 CO -0.04 0.55 0.02 -0.26 0.37 0.00 0.00 175.52 176.16 2qls h PHE 33 N 0.15 0.26 0.17 3.16 0.04 0.23 0.44 116.94 121.38 2qls h PHE 33 Ca -0.03 -0.01 -0.36 0.00 2.80 0.00 0.00 57.97 60.37 2qls h PHE 33 Cb 1.15 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2qls h PHE 33 CO 0.11 0.26 -1.83 1.96 -0.60 0.00 0.00 178.31 178.21 2qls h GLN 34 N 0.26 0.35 0.03 1.51 4.20 -1.06 -3.32 115.11 117.08 2qls h GLN 34 Ca 0.06 -0.60 -0.26 0.00 0.06 0.00 0.00 58.65 57.91 2qls h GLN 34 Cb 0.15 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2qls h GLN 34 CO 0.00 1.28 -1.39 0.77 -0.67 0.00 0.00 178.83 178.83 2qls h SER 35 N 0.10 0.08 -3.65 1.46 0.02 -0.99 -3.42 113.55 107.14 2qls h SER 35 Ca -0.37 -0.12 -0.63 0.00 -0.84 0.00 0.00 61.79 59.84 2qls h SER 35 Cb 2.08 -0.03 -0.41 0.00 0.14 0.00 0.00 62.40 64.18 2qls h SER 35 CO 0.15 1.10 -0.64 -0.36 -1.14 0.00 0.00 176.83 175.94 2qls s PHE 36 N -2.65 3.02 -0.47 3.45 0.40 0.15 -4.98 117.98 116.90 2qls s PHE 36 Ca -0.03 -3.07 0.21 0.00 -0.60 0.00 0.00 56.93 53.43 2qls s PHE 36 Cb 0.09 -2.52 0.95 0.00 0.51 0.00 0.00 43.02 42.04 2qls s PHE 36 CO 0.83 -0.68 1.64 -0.35 0.70 0.00 0.00 175.22 177.35 2qls n PRO 37 N 2.73 0.15 0.21 0.24 -0.04 -1.25 -1.88 135.00 135.17 2qls n PRO 37 Ca 0.12 0.47 0.05 0.00 -0.04 0.00 0.00 63.50 64.11 2qls n PRO 37 Cb 0.34 -1.84 0.47 0.00 -0.04 0.00 0.00 33.50 32.43 2qls n PRO 37 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2qls h THR 38 N 0.00 1.15 -0.44 0.52 2.02 -1.91 -2.67 112.91 111.58 2qls h THR 38 Ca 0.00 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.33 2qls h THR 38 Cb 0.23 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 2qls h THR 38 CO 0.00 0.23 0.03 0.71 0.37 0.00 0.00 175.52 176.86 2qls h THR 39 N 0.00 1.22 0.00 3.16 1.35 -1.71 -2.87 112.91 114.06 2qls h THR 39 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 2qls h THR 39 Cb 0.41 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2qls h THR 39 CO 0.03 0.31 0.53 0.11 -0.25 0.00 0.00 175.52 176.24 2qls h LYS 40 N 0.66 0.00 -1.50 4.72 1.57 -1.68 -2.03 116.57 118.31 2qls h LYS 40 Ca 0.14 0.00 0.44 0.00 -1.87 0.00 0.00 60.65 59.35 2qls h LYS 40 Cb 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 2qls h LYS 40 CO 0.01 0.00 1.15 1.15 -0.57 0.00 0.00 179.45 181.19 2qls h THR 41 N 0.00 0.16 -0.32 -0.16 2.02 -1.68 -2.17 112.91 110.76 2qls h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qls h THR 41 Cb 1.05 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2qls h THR 41 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 2qls n TYR 42 N -3.91 0.40 -2.57 3.16 4.01 -0.76 -4.22 117.16 113.27 2qls n TYR 42 Ca 0.33 -0.22 -0.13 0.00 -0.16 0.00 0.00 57.90 57.72 2qls n TYR 42 Cb 1.62 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.67 2qls n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2qls n PHE 43 N 1.34 1.95 0.36 -0.72 3.01 -0.82 -4.89 117.46 117.70 2qls n PHE 43 Ca 0.17 -2.63 0.14 0.00 1.01 0.00 0.00 57.45 56.14 2qls n PHE 43 Cb 0.57 -0.27 0.48 0.00 -0.01 0.00 0.00 39.48 40.25 2qls n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2qls h PRO 44 N 2.69 0.00 -0.05 -1.08 0.13 -1.73 -1.72 132.00 130.23 2qls h PRO 44 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2qls h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qls h PRO 44 CO 0.54 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.92 2qls n HIS 45 N -2.70 0.06 -3.23 1.56 1.44 -1.26 -4.85 115.22 106.22 2qls n HIS 45 Ca 0.03 -0.03 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 2qls n HIS 45 Cb 0.35 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.40 2qls n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qls s PHE 46 N -1.94 3.73 -0.63 -1.40 2.99 -0.65 -5.03 117.98 115.04 2qls s PHE 46 Ca 0.37 1.22 -0.26 0.00 0.00 0.00 0.00 56.93 58.26 2qls s PHE 46 Cb 0.19 -2.56 -0.02 0.00 0.00 0.00 0.00 43.02 40.63 2qls s PHE 46 CO 0.31 0.44 1.84 0.34 -0.00 0.00 0.00 175.22 178.15 2qls s ASP 47 N -0.53 5.30 0.00 1.36 3.68 -1.26 -4.84 116.67 120.38 2qls s ASP 47 Ca 0.30 0.24 0.20 0.00 2.13 0.00 0.00 52.55 55.42 2qls s ASP 47 Cb -0.19 -2.53 0.55 0.00 -1.45 0.00 0.00 42.92 39.30 2qls s ASP 47 CO 0.18 -2.37 1.46 0.18 0.13 0.00 0.00 175.17 174.74 2qls n LEU 48 N 12.66 3.28 -4.64 -1.34 4.32 -1.26 -4.34 117.00 125.68 2qls n LEU 48 Ca 0.21 -1.61 -0.37 0.00 -0.02 0.00 0.00 56.01 54.22 2qls n LEU 48 Cb 0.52 -0.38 0.07 0.00 -1.62 0.00 0.00 43.42 42.00 2qls n LEU 48 CO 0.70 0.80 0.62 -1.54 -1.22 0.00 0.00 177.39 176.76 2qls n SER 49 N 1.30 0.97 -0.12 -1.43 3.41 -1.26 -4.98 113.62 111.51 2qls n SER 49 Ca 0.20 0.77 -0.10 0.00 -0.26 0.00 0.00 58.87 59.48 2qls n SER 49 Cb 0.53 -1.43 -0.07 0.00 -0.26 0.00 0.00 64.21 62.97 2qls n SER 49 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2qls h PRO 50 N 0.28 -0.27 -1.03 4.33 0.11 -2.01 -2.44 132.00 130.97 2qls h PRO 50 Ca -0.49 0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.32 2qls h PRO 50 Cb 1.35 0.06 -0.18 0.00 0.11 0.00 0.00 31.00 32.34 2qls h PRO 50 CO 0.50 -0.18 0.40 0.41 -0.21 0.00 0.00 178.00 178.93 2qls n GLY 51 N -1.27 3.57 3.88 -0.55 0.00 -1.26 -4.96 105.19 104.60 2qls n GLY 51 Ca -0.02 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 2qls n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qls s SER 52 N -0.36 5.87 0.24 1.61 1.04 -0.92 -4.88 113.70 116.30 2qls s SER 52 Ca 0.34 1.22 0.26 0.00 0.48 0.00 0.00 55.95 58.25 2qls s SER 52 Cb 0.29 -2.18 0.73 0.00 0.10 0.00 0.00 66.02 64.95 2qls s SER 52 CO 0.06 -1.06 1.74 0.00 0.98 0.00 0.00 173.24 174.96 2qls h ALA 53 N -0.41 0.99 0.09 5.32 0.00 -1.89 -0.74 119.26 122.61 2qls h ALA 53 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qls h ALA 53 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2qls h ALA 53 CO 0.63 0.00 -0.04 1.96 0.00 0.00 0.00 179.25 181.79 2qls h GLN 54 N 0.00 -0.11 -0.26 0.00 4.20 -1.90 -1.92 115.11 115.11 2qls h GLN 54 Ca 0.00 0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.77 2qls h GLN 54 Cb 0.78 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.53 2qls h GLN 54 CO 0.00 0.35 -0.05 0.28 -0.67 0.00 0.00 178.83 178.74 2qls h VAL 55 N -0.64 0.76 0.21 -0.54 2.07 -1.71 -2.15 116.25 114.25 2qls h VAL 55 Ca -0.01 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2qls h VAL 55 Cb 0.52 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2qls h VAL 55 CO 0.02 0.00 -0.13 0.50 0.02 0.00 0.00 177.57 177.98 2qls h LYS 56 N 0.02 -0.32 -0.56 1.57 3.64 -1.14 -0.14 116.57 119.64 2qls h LYS 56 Ca 0.13 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.64 2qls h LYS 56 Cb 0.19 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 31.97 2qls h LYS 56 CO -0.26 -0.21 -0.11 0.00 -2.27 0.00 0.00 179.45 176.60 2qls h ALA 57 N 0.45 0.41 0.32 5.00 0.00 -0.96 -1.97 119.26 122.51 2qls h ALA 57 Ca -0.02 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2qls h ALA 57 Cb 0.27 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qls h ALA 57 CO 0.02 -0.43 -0.16 1.25 0.00 0.00 0.00 179.25 179.93 2qls h HIS 58 N 0.02 -0.42 0.00 0.00 -0.00 -0.72 -2.71 115.15 111.32 2qls h HIS 58 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2qls h HIS 58 Cb 0.42 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 2qls h HIS 58 CO -0.44 -0.26 0.00 0.41 -0.00 0.00 0.00 177.93 177.64 2qls n GLY 59 N -1.22 0.00 0.32 5.26 0.00 -0.13 0.92 105.19 110.34 2qls n GLY 59 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.14 2qls n GLY 59 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qls h LYS 60 N 0.00 0.35 -0.03 1.61 3.64 -1.22 0.32 116.57 121.24 2qls h LYS 60 Ca 0.00 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 2qls h LYS 60 Cb 0.00 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2qls h LYS 60 CO 0.00 0.23 -0.68 0.87 -2.27 0.00 0.00 179.45 177.60 2qls h LYS 61 N 0.36 0.13 0.02 1.90 1.57 4.29 0.18 116.57 125.02 2qls h LYS 61 Ca 0.63 -0.11 -0.25 0.00 -1.87 0.00 0.00 60.65 59.05 2qls h LYS 61 Cb 1.31 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.65 2qls h LYS 61 CO -0.58 0.76 -1.03 0.28 -0.57 0.00 0.00 179.45 178.32 2qls h VAL 62 N 0.09 1.34 0.00 0.50 2.07 0.11 -3.01 116.25 117.35 2qls h VAL 62 Ca -0.01 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.06 2qls h VAL 62 Cb 1.21 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 2qls h VAL 62 CO 0.10 0.72 -0.26 0.00 0.02 0.00 0.00 177.57 178.15 2qls h ALA 63 N 0.55 1.00 -0.29 1.67 0.00 -0.17 -2.62 119.26 119.40 2qls h ALA 63 Ca -0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2qls h ALA 63 Cb 1.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2qls h ALA 63 CO 0.19 0.33 -0.14 -0.44 0.00 0.00 0.00 179.25 179.20 2qls h ASP 64 N 0.00 0.63 -0.54 0.00 3.32 -0.83 -1.22 116.42 117.77 2qls h ASP 64 Ca -0.00 -0.40 0.10 0.00 0.02 0.00 0.00 57.03 56.75 2qls h ASP 64 Cb 0.80 -0.17 -0.11 0.00 0.22 0.00 0.00 39.33 40.07 2qls h ASP 64 CO 0.03 0.89 -0.27 0.00 -1.72 0.00 0.00 179.24 178.18 2qls h ALA 65 N 0.75 0.07 -0.40 3.45 0.00 -1.53 0.37 119.26 121.97 2qls h ALA 65 Ca 0.07 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2qls h ALA 65 Cb 0.65 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2qls h ALA 65 CO 0.04 -0.61 -0.10 -0.07 0.00 0.00 0.00 179.25 178.51 2qls h LEU 66 N -0.14 0.68 0.02 0.00 3.38 -1.11 -1.94 115.31 116.21 2qls h LEU 66 Ca 0.24 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.04 2qls h LEU 66 Cb 0.52 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2qls h LEU 66 CO -0.62 0.82 -0.28 0.74 0.09 0.00 0.00 178.44 179.18 2qls h THR 67 N 0.64 0.38 -0.94 0.22 2.02 -0.68 0.12 112.91 114.67 2qls h THR 67 Ca 0.11 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.57 2qls h THR 67 Cb 0.55 0.38 -0.15 0.00 -1.74 0.00 0.00 68.15 67.19 2qls h THR 67 CO 0.03 0.00 0.35 0.74 0.37 0.00 0.00 175.52 177.01 2qls h THR 68 N -0.44 0.27 -0.38 3.16 2.02 -0.23 -0.87 112.91 116.45 2qls h THR 68 Ca 0.06 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 2qls h THR 68 Cb 0.51 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2qls h THR 68 CO -0.23 0.04 -0.18 0.00 0.37 0.00 0.00 175.52 175.53 2qls h ALA 69 N 1.83 0.53 -0.46 6.16 0.00 -0.48 -2.68 119.26 124.15 2qls h ALA 69 Ca 0.63 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 55.27 2qls h ALA 69 Cb 1.37 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2qls h ALA 69 CO -0.67 0.46 0.06 0.28 0.00 0.00 0.00 179.25 179.39 2qls h VAL 70 N 0.58 0.71 -0.39 0.00 2.07 0.19 -0.61 116.25 118.80 2qls h VAL 70 Ca 0.08 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.63 2qls h VAL 70 Cb 0.72 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2qls h VAL 70 CO 0.05 0.03 0.27 0.00 0.02 0.00 0.00 177.57 177.95 2qls h ALA 71 N 1.37 2.21 -1.79 1.67 0.00 -0.97 -3.26 119.26 118.48 2qls h ALA 71 Ca 0.23 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.47 2qls h ALA 71 Cb 0.31 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 17.72 2qls h ALA 71 CO -0.33 -0.30 -0.12 0.72 0.00 0.00 0.00 179.25 179.22 2qls n HIS 72 N -4.45 3.55 0.29 0.00 8.25 -0.27 -4.84 115.22 117.76 2qls n HIS 72 Ca 0.06 -3.35 0.16 0.00 -0.26 0.00 0.00 57.72 54.33 2qls n HIS 72 Cb 0.38 -0.64 0.62 0.00 1.12 0.00 0.00 29.99 31.47 2qls n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qls h LEU 73 N 3.19 0.00 -0.44 2.41 3.38 -1.53 0.12 115.31 122.43 2qls h LEU 73 Ca 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 2qls h LEU 73 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2qls h LEU 73 CO 0.96 0.00 -0.65 0.44 0.09 0.00 0.00 178.44 179.29 2qls h ASP 74 N 0.00 0.00 -2.11 -0.43 3.45 -1.88 -3.38 116.42 112.08 2qls h ASP 74 Ca 0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 2qls h ASP 74 Cb 0.54 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.90 2qls h ASP 74 CO 0.00 0.65 -0.98 -0.67 -1.57 0.00 0.00 179.24 176.67 2qls n ASP 75 N -3.50 2.13 -0.25 6.45 4.64 0.01 -4.87 116.55 121.17 2qls n ASP 75 Ca 0.00 -3.23 -0.06 0.00 -1.38 0.00 0.00 54.79 50.13 2qls n ASP 75 Cb 0.71 -0.60 0.05 0.00 -1.04 0.00 0.00 41.12 40.23 2qls n ASP 75 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2qls h LEU 76 N 3.15 0.87 -1.36 -2.67 3.38 -1.69 -1.24 115.31 115.75 2qls h LEU 76 Ca 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qls h LEU 76 Cb 0.79 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2qls h LEU 76 CO 0.62 0.70 0.38 -0.65 0.09 0.00 0.00 178.44 179.58 2qls h PRO 77 N 0.96 0.81 0.07 1.13 0.11 -1.90 -1.37 132.00 131.81 2qls h PRO 77 Ca 0.25 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.30 2qls h PRO 77 Cb 0.02 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2qls h PRO 77 CO -0.04 0.55 -0.03 0.78 -0.21 0.00 0.00 178.00 179.05 2qls h GLY 78 N 0.85 -0.10 0.47 -0.55 0.00 -1.91 -1.68 103.07 100.15 2qls h GLY 78 Ca 0.22 0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.68 2qls h GLY 78 CO -0.04 -0.04 0.37 0.00 0.00 0.00 0.00 176.54 176.84 2qls h ALA 79 N 0.52 1.02 -0.10 3.60 0.00 -0.72 -2.89 119.26 120.69 2qls h ALA 79 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qls h ALA 79 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qls h ALA 79 CO 0.02 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.52 2qls n LEU 80 N -4.84 2.79 0.00 0.00 4.77 -0.56 -4.71 117.00 114.44 2qls n LEU 80 Ca 0.12 -2.84 0.04 0.00 -0.03 0.00 0.00 56.01 53.30 2qls n LEU 80 Cb 0.28 -0.39 0.20 0.00 -2.33 0.00 0.00 43.42 41.18 2qls n LEU 80 CO 0.25 0.67 0.59 -1.54 -1.33 0.00 0.00 177.39 176.03 2qls n SER 81 N -0.90 0.00 0.01 -1.43 3.41 -0.64 -1.08 113.62 112.99 2qls n SER 81 Ca 0.15 0.27 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 2qls n SER 81 Cb 0.64 -0.35 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2qls n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qls n ALA 82 N -1.35 3.93 -0.03 7.33 0.00 -1.26 -3.77 120.51 125.35 2qls n ALA 82 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 2qls n ALA 82 Cb 0.08 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 2qls n ALA 82 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qls n LEU 83 N -1.71 0.47 0.13 0.00 4.77 -0.46 -1.37 117.00 118.83 2qls n LEU 83 Ca 0.03 0.21 0.19 0.00 -0.03 0.00 0.00 56.01 56.42 2qls n LEU 83 Cb 0.38 0.24 0.76 0.00 -2.33 0.00 0.00 43.42 42.47 2qls n LEU 83 CO 0.41 0.31 1.17 -1.28 -1.33 0.00 0.00 177.39 176.67 2qls h SER 84 N 0.00 0.00 0.00 -1.43 0.87 -1.20 -2.32 113.55 109.47 2qls h SER 84 Ca -0.31 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 59.88 2qls h SER 84 Cb 1.85 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.74 2qls h SER 84 CO 0.04 0.00 -2.42 0.47 -0.53 0.00 0.00 176.83 174.39 2qls n ASP 85 N -3.62 1.96 -0.14 6.23 10.43 -1.04 -3.01 116.55 127.36 2qls n ASP 85 Ca 0.06 -0.13 -0.08 0.00 2.57 0.00 0.00 54.79 57.21 2qls n ASP 85 Cb 0.57 -0.33 -0.02 0.00 1.84 0.00 0.00 41.12 43.19 2qls n ASP 85 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 2qls h LEU 86 N 0.00 -1.20 0.00 0.64 6.46 -1.07 -0.40 115.31 119.74 2qls h LEU 86 Ca -0.56 0.21 -0.18 0.00 -0.12 0.00 0.00 57.88 57.23 2qls h LEU 86 Cb 1.88 0.56 -0.03 0.00 -0.73 0.00 0.00 40.66 42.34 2qls h LEU 86 CO -0.08 -0.33 -1.00 0.45 -0.62 0.00 0.00 178.44 176.86 2qls h HIS 87 N -0.25 0.00 0.03 1.25 3.86 -1.56 0.86 115.15 119.35 2qls h HIS 87 Ca 0.18 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.15 2qls h HIS 87 Cb 0.55 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 2qls h HIS 87 CO -0.59 0.78 -1.27 0.00 0.86 0.00 0.00 177.93 177.71 2qls h ALA 88 N 1.22 0.25 0.03 2.45 0.00 -1.43 -2.24 119.26 119.55 2qls h ALA 88 Ca -0.07 -1.16 -0.07 0.00 0.00 0.00 0.00 54.91 53.61 2qls h ALA 88 Cb 1.65 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 20.09 2qls h ALA 88 CO 0.09 0.74 -0.37 1.88 0.00 0.00 0.00 179.25 181.59 2qls h TYR 89 N -0.78 0.12 0.00 0.00 -1.99 -1.20 -3.32 116.97 109.79 2qls h TYR 89 Ca -0.32 -0.09 -0.21 0.00 2.00 0.00 0.00 58.73 60.11 2qls h TYR 89 Cb 1.43 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.12 2qls h TYR 89 CO 0.11 1.14 -1.26 1.17 -0.00 0.00 0.00 178.16 179.33 2qls n LYS 90 N -4.47 0.55 0.07 4.88 4.81 -0.67 -4.40 118.16 118.93 2qls n LYS 90 Ca -0.14 0.53 0.13 0.00 -0.87 0.00 0.00 58.31 57.96 2qls n LYS 90 Cb 0.59 -1.71 0.33 0.00 0.02 0.00 0.00 35.03 34.26 2qls n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2qls n LEU 91 N -4.45 0.65 -3.62 3.14 4.77 0.21 -4.94 117.00 112.76 2qls n LEU 91 Ca -0.30 0.40 -0.22 0.00 -0.03 0.00 0.00 56.01 55.86 2qls n LEU 91 Cb 0.63 -0.29 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2qls n LEU 91 CO 0.16 -0.09 -0.05 0.54 -1.33 0.00 0.00 177.39 176.62 2qls n ARG 92 N -2.06 -4.06 -2.91 3.23 5.12 -0.89 -4.91 116.66 110.19 2qls n ARG 92 Ca 0.05 0.64 -0.42 0.00 -1.93 0.00 0.00 57.85 56.19 2qls n ARG 92 Cb 0.42 -5.13 -0.04 0.00 -1.16 0.00 0.00 32.46 26.54 2qls n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2qls s VAL 93 N -3.59 4.84 -0.44 1.55 1.01 -0.92 -5.01 120.40 117.84 2qls s VAL 93 Ca 0.14 1.49 -0.44 0.00 0.00 0.00 0.00 61.98 63.16 2qls s VAL 93 Cb -0.04 -4.11 -0.18 0.00 0.00 0.00 0.00 36.38 32.05 2qls s VAL 93 CO 0.81 -0.09 1.74 -0.67 0.00 0.00 0.00 175.10 176.88 2qls n ASP 94 N 6.02 1.47 -0.22 3.32 -0.08 -1.26 -4.87 116.55 120.94 2qls n ASP 94 Ca 0.05 1.06 0.17 0.00 -1.51 0.00 0.00 54.79 54.56 2qls n ASP 94 Cb 0.48 -0.96 0.50 0.00 2.34 0.00 0.00 41.12 43.48 2qls n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2qls h PRO 95 N 6.43 0.42 -0.97 -0.67 0.11 -2.00 -1.66 132.00 133.66 2qls h PRO 95 Ca -0.39 -0.02 0.30 0.00 0.11 0.00 0.00 66.00 66.00 2qls h PRO 95 Cb 1.36 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 2qls h PRO 95 CO 0.99 0.27 0.47 0.28 -0.21 0.00 0.00 178.00 179.81 2qls h VAL 96 N 0.43 0.29 -1.09 3.15 2.07 -2.02 -2.79 116.25 116.28 2qls h VAL 96 Ca 0.44 -0.10 0.30 0.00 0.82 0.00 0.00 66.70 68.16 2qls h VAL 96 Cb 1.04 -0.02 -0.10 0.00 -1.52 0.00 0.00 31.29 30.69 2qls h VAL 96 CO -0.16 0.05 0.71 0.78 0.02 0.00 0.00 177.57 178.97 2qls h ASN 97 N 0.28 0.38 -0.08 0.57 4.21 -1.66 -2.32 115.58 116.96 2qls h ASN 97 Ca 0.69 0.09 -0.23 0.00 1.21 0.00 0.00 56.30 58.06 2qls h ASN 97 Cb 1.53 0.03 0.01 0.00 -1.12 0.00 0.00 38.32 38.78 2qls h ASN 97 CO -0.63 0.03 -0.83 -0.26 -1.29 0.00 0.00 177.43 174.45 2qls h PHE 98 N 0.31 1.03 -0.91 1.19 0.04 -1.66 -2.10 116.94 114.83 2qls h PHE 98 Ca 0.63 -0.47 0.18 0.00 2.80 0.00 0.00 57.97 61.10 2qls h PHE 98 Cb 1.74 -0.15 -0.10 0.00 2.20 0.00 0.00 35.95 39.63 2qls h PHE 98 CO -0.00 1.30 0.49 0.87 -0.60 0.00 0.00 178.31 180.37 2qls h LYS 99 N 0.49 0.61 0.07 1.51 1.57 -1.53 -1.29 116.57 118.00 2qls h LYS 99 Ca -0.07 -0.04 -0.25 0.00 -1.87 0.00 0.00 60.65 58.42 2qls h LYS 99 Cb 1.46 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.64 2qls h LYS 99 CO 0.17 0.40 -1.11 -0.07 -0.57 0.00 0.00 179.45 178.27 2qls h LEU 100 N 0.63 0.51 0.07 2.94 3.38 -1.30 -2.12 115.31 119.42 2qls h LEU 100 Ca 0.52 -0.48 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 2qls h LEU 100 Cb 0.83 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2qls h LEU 100 CO -0.40 1.32 -1.22 0.25 0.09 0.00 0.00 178.44 178.47 2qls h LEU 101 N 0.16 0.22 -0.56 1.67 5.85 -1.17 -2.88 115.31 118.60 2qls h LEU 101 Ca -0.12 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.38 2qls h LEU 101 Cb 1.79 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.71 2qls h LEU 101 CO 0.19 1.20 0.34 0.28 -0.34 0.00 0.00 178.44 180.11 2qls h SER 102 N 0.04 0.55 -0.83 1.25 0.02 -1.10 0.29 113.55 113.76 2qls h SER 102 Ca -0.11 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 2qls h SER 102 Cb 1.90 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.29 2qls h SER 102 CO 0.16 0.38 0.37 -0.74 -1.14 0.00 0.00 176.83 175.87 2qls h HIS 103 N 0.67 1.23 0.00 3.45 -0.00 -1.43 -1.77 115.15 117.29 2qls h HIS 103 Ca 0.23 -0.07 -0.08 0.00 -0.00 0.00 0.00 60.37 60.44 2qls h HIS 103 Cb 0.02 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.05 2qls h HIS 103 CO -0.06 0.90 -0.40 0.00 -0.00 0.00 0.00 177.93 178.37 2qls h LEU 105 N 0.00 0.27 -0.23 0.00 5.85 -0.85 -1.53 115.31 118.82 2qls h LEU 105 Ca -0.00 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.23 2qls h LEU 105 Cb 1.07 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.95 2qls h LEU 105 CO 0.05 0.76 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.57 2qls h LEU 106 N -0.21 -0.87 -0.65 2.25 3.38 -1.17 -2.19 115.31 115.85 2qls h LEU 106 Ca 0.01 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2qls h LEU 106 Cb 0.71 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 2qls h LEU 106 CO 0.03 -0.31 -0.57 0.58 0.09 0.00 0.00 178.44 178.27 2qls h VAL 107 N -0.29 0.00 -0.90 1.22 2.07 -1.35 0.21 116.25 117.21 2qls h VAL 107 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.74 2qls h VAL 107 Cb 0.49 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2qls h VAL 107 CO -0.39 0.00 0.58 0.74 0.02 0.00 0.00 177.57 178.52 2qls h THR 108 N -0.24 0.98 -0.32 2.57 2.02 -0.92 0.27 112.91 117.27 2qls h THR 108 Ca 0.11 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 2qls h THR 108 Cb 0.52 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 2qls h THR 108 CO -0.74 0.17 -0.10 -0.07 0.37 0.00 0.00 175.52 175.15 2qls h LEU 109 N 0.91 0.64 -0.83 2.58 4.07 -1.05 -2.26 115.31 119.37 2qls h LEU 109 Ca 0.41 -0.38 0.09 0.00 0.08 0.00 0.00 57.88 58.09 2qls h LEU 109 Cb 0.38 -0.18 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 2qls h LEU 109 CO -0.18 0.87 0.48 0.00 -1.08 0.00 0.00 178.44 178.54 2qls h ALA 110 N 0.79 1.19 -0.58 1.53 0.00 0.08 -2.24 119.26 120.03 2qls h ALA 110 Ca 0.08 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2qls h ALA 110 Cb 0.60 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2qls h ALA 110 CO 0.04 0.12 0.35 0.00 0.00 0.00 0.00 179.25 179.76 2qls n HIS 112 N -4.75 0.00 -2.69 0.00 -0.00 -0.92 -4.61 115.22 102.25 2qls n HIS 112 Ca 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.71 2qls n HIS 112 Cb 0.07 -0.17 0.09 0.00 -0.00 0.00 0.00 29.99 29.98 2qls n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2qls n HIS 113 N -1.00 -1.95 0.29 4.41 -0.00 -0.86 -4.96 115.22 111.14 2qls n HIS 113 Ca 0.16 -1.62 0.17 0.00 -0.00 0.00 0.00 57.72 56.44 2qls n HIS 113 Cb 0.24 1.50 0.96 0.00 -0.00 0.00 0.00 29.99 32.69 2qls n HIS 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2qls h PRO 114 N 1.92 0.00 0.00 -0.41 0.13 -1.77 -1.09 132.00 130.77 2qls h PRO 114 Ca -0.33 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.73 2qls h PRO 114 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2qls h PRO 114 CO -0.08 0.00 -0.70 1.15 -0.23 0.00 0.00 178.00 178.14 2qls h THR 115 N 0.00 0.32 -0.01 1.56 2.02 -1.93 -2.99 112.91 111.88 2qls h THR 115 Ca 0.02 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.68 2qls h THR 115 Cb 0.14 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 2qls h THR 115 CO -0.00 0.18 -0.25 -1.84 0.37 0.00 0.00 175.52 173.99 2qls n GLU 116 N -2.97 1.59 -0.49 6.66 0.00 -0.49 -4.51 120.64 120.43 2qls n GLU 116 Ca -0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 57.16 56.05 2qls n GLU 116 Cb 0.65 -1.29 -0.04 0.00 0.00 0.00 0.00 31.44 30.76 2qls n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2qls n PHE 117 N 0.16 0.55 -1.54 -1.84 7.35 -0.75 -4.71 117.46 116.68 2qls n PHE 117 Ca 0.08 -1.15 -0.29 0.00 -0.76 0.00 0.00 57.45 55.32 2qls n PHE 117 Cb 0.36 -1.17 0.11 0.00 0.35 0.00 0.00 39.48 39.13 2qls n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qls s THR 118 N 3.04 2.48 -0.00 -2.13 -4.23 -1.26 -4.83 115.64 108.71 2qls s THR 118 Ca 0.29 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.70 2qls s THR 118 Cb 0.10 -2.90 -0.19 0.00 1.34 0.00 0.00 72.50 70.85 2qls s THR 118 CO -0.01 -0.21 1.32 -0.65 -0.54 0.00 0.00 174.62 174.53 2qls h PRO 119 N -1.31 -0.05 -0.93 3.99 0.11 -1.99 -0.53 132.00 131.28 2qls h PRO 119 Ca -0.49 0.00 0.23 0.00 0.11 0.00 0.00 66.00 65.85 2qls h PRO 119 Cb 1.30 0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.25 2qls h PRO 119 CO 0.61 0.35 -0.09 0.00 -0.21 0.00 0.00 178.00 178.66 2qls n ALA 120 N -2.33 0.37 -0.05 -0.75 0.00 -1.26 -1.15 120.51 115.34 2qls n ALA 120 Ca -0.08 1.01 -0.12 0.00 0.00 0.00 0.00 53.44 54.25 2qls n ALA 120 Cb 0.22 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 2qls n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qls h VAL 121 N 0.00 1.25 -0.99 0.00 2.07 -1.74 -2.88 116.25 113.97 2qls h VAL 121 Ca 0.51 -0.81 0.17 0.00 0.82 0.00 0.00 66.70 67.39 2qls h VAL 121 Cb 0.96 1.48 -0.17 0.00 -1.52 0.00 0.00 31.29 32.04 2qls h VAL 121 CO -0.91 0.24 -0.32 1.57 0.02 0.00 0.00 177.57 178.17 2qls n HIS 122 N -4.76 0.18 -0.04 1.57 -0.00 -0.25 -0.57 115.22 111.35 2qls n HIS 122 Ca -0.05 1.21 -0.11 0.00 -0.00 0.00 0.00 57.72 58.77 2qls n HIS 122 Cb 0.21 -0.96 -0.05 0.00 -0.00 0.00 0.00 29.99 29.18 2qls n HIS 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qls h ALA 123 N 1.64 0.21 -0.96 1.57 0.00 -1.15 -1.71 119.26 118.85 2qls h ALA 123 Ca 0.40 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2qls h ALA 123 Cb 0.65 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2qls h ALA 123 CO -1.00 -0.18 0.62 0.77 0.00 0.00 0.00 179.25 179.47 2qls h SER 124 N 0.08 0.97 0.14 0.00 0.02 -1.18 -1.78 113.55 111.79 2qls h SER 124 Ca 0.05 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.77 2qls h SER 124 Cb 0.22 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.57 2qls h SER 124 CO -0.00 0.61 -0.97 -0.07 -1.14 0.00 0.00 176.83 175.26 2qls h LEU 125 N 1.09 0.74 -0.67 5.07 4.07 -0.69 -1.32 115.31 123.60 2qls h LEU 125 Ca 0.42 -0.58 0.14 0.00 0.08 0.00 0.00 57.88 57.94 2qls h LEU 125 Cb 0.22 -0.23 -0.10 0.00 1.08 0.00 0.00 40.66 41.63 2qls h LEU 125 CO -0.17 1.38 0.10 -0.78 -1.08 0.00 0.00 178.44 177.89 2qls h ASP 126 N 0.34 -0.10 0.33 -0.43 -0.00 -1.07 0.41 116.42 115.90 2qls h ASP 126 Ca -0.10 0.14 -0.11 0.00 -0.00 0.00 0.00 57.03 56.96 2qls h ASP 126 Cb 1.61 0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 41.14 2qls h ASP 126 CO 0.18 -0.06 -0.47 0.50 -0.00 0.00 0.00 179.24 179.39 2qls h LYS 127 N 0.21 0.16 -0.12 0.28 3.64 -1.04 0.55 116.57 120.25 2qls h LYS 127 Ca 0.37 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.55 2qls h LYS 127 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2qls h LYS 127 CO -0.50 0.60 -0.34 0.35 -2.27 0.00 0.00 179.45 177.29 2qls h PHE 128 N 0.13 0.57 -0.45 1.91 3.57 0.33 -2.10 116.94 120.91 2qls h PHE 128 Ca 0.01 -0.23 0.03 0.00 3.53 0.00 0.00 57.97 61.32 2qls h PHE 128 Cb 0.88 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2qls h PHE 128 CO 0.01 0.95 0.23 0.74 -2.23 0.00 0.00 178.31 178.02 2qls h PHE 129 N 0.03 0.43 -0.87 0.41 0.05 0.47 -1.17 116.94 116.29 2qls h PHE 129 Ca -0.01 0.02 0.11 0.00 3.82 0.00 0.00 57.97 61.91 2qls h PHE 129 Cb 0.96 -0.13 -0.06 0.00 2.00 0.00 0.00 35.95 38.71 2qls h PHE 129 CO 0.11 0.22 0.56 0.00 -0.18 0.00 0.00 178.31 179.02 2qls h ALA 130 N 1.23 1.72 -0.15 2.45 0.00 -0.81 -0.60 119.26 123.11 2qls h ALA 130 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2qls h ALA 130 Cb 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qls h ALA 130 CO -0.13 0.08 -0.78 0.00 0.00 0.00 0.00 179.25 178.43 2qls h ALA 131 N 1.58 0.29 -0.43 0.00 0.00 -0.55 -0.33 119.26 119.82 2qls h ALA 131 Ca 0.41 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2qls h ALA 131 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2qls h ALA 131 CO -0.18 0.67 -0.00 0.28 0.00 0.00 0.00 179.25 180.02 2qls h VAL 132 N 0.52 1.26 -0.70 0.00 2.07 -0.08 -2.38 116.25 116.93 2qls h VAL 132 Ca -0.06 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.48 2qls h VAL 132 Cb 1.41 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2qls h VAL 132 CO 0.16 0.36 0.46 0.28 0.02 0.00 0.00 177.57 178.85 2qls h SER 133 N 0.61 0.67 0.21 0.57 0.02 -1.07 -1.55 113.55 113.00 2qls h SER 133 Ca 0.12 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 2qls h SER 133 Cb 0.50 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2qls h SER 133 CO 0.02 0.45 -0.42 0.74 -1.14 0.00 0.00 176.83 176.48 2qls h THR 134 N 0.77 1.31 0.00 -2.27 2.02 -0.56 -1.99 112.91 112.20 2qls h THR 134 Ca 0.29 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.92 2qls h THR 134 Cb 0.19 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2qls h THR 134 CO -0.09 0.47 0.00 0.52 0.37 0.00 0.00 175.52 176.79 2qls n VAL 135 N -4.02 0.00 0.09 3.16 0.31 -0.84 -1.57 118.33 115.46 2qls n VAL 135 Ca -0.02 1.14 0.01 0.00 -0.01 0.00 0.00 64.34 65.46 2qls n VAL 135 Cb 0.49 -2.12 0.05 0.00 -0.91 0.00 0.00 33.84 31.36 2qls n VAL 135 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qls n LEU 136 N -1.90 0.05 -0.88 7.52 4.77 -0.64 0.92 117.00 126.83 2qls n LEU 136 Ca 0.00 0.22 0.09 0.00 -0.03 0.00 0.00 56.01 56.29 2qls n LEU 136 Cb 0.00 -0.11 0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2qls n LEU 136 CO 0.00 -0.24 0.62 0.35 -1.33 0.00 0.00 177.39 176.79 2qls n THR 137 N -1.49 0.39 0.32 -5.08 -2.24 -0.76 -4.33 114.28 101.09 2qls n THR 137 Ca -0.00 -0.70 0.15 0.00 -2.27 0.00 0.00 64.05 61.23 2qls n THR 137 Cb 0.54 1.04 0.66 0.00 -2.10 0.00 0.00 70.33 70.47 2qls n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qls h SER 138 N 3.58 0.00 0.93 3.42 4.64 0.16 -1.61 113.55 124.66 2qls h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qls h SER 138 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2qls h SER 138 CO 0.00 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.13 2qls n LYS 139 N -2.65 0.02 0.07 4.77 4.81 -1.26 -2.34 118.16 121.58 2qls n LYS 139 Ca 0.00 0.07 -0.14 0.00 -0.87 0.00 0.00 58.31 57.38 2qls n LYS 139 Cb 0.21 -1.52 -0.14 0.00 0.02 0.00 0.00 35.03 33.60 2qls n LYS 139 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2qls h TYR 140 N 0.00 0.32 -0.03 5.64 0.99 -1.65 -3.50 116.97 118.74 2qls h TYR 140 Ca 0.00 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.49 2qls h TYR 140 Cb 0.46 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.18 2qls h TYR 140 CO 0.00 1.23 0.00 2.89 -0.00 0.00 0.00 178.16 182.28