#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s ASP 2 N 0.00 2.66 -0.00 3.42 2.15 -1.26 -5.01 116.67 118.63 2qex s ASP 2 Ca 0.00 -0.66 0.17 0.00 0.43 0.00 0.00 52.55 52.50 2qex s ASP 2 Cb 0.00 -0.65 0.50 0.00 -0.30 0.00 0.00 42.92 42.47 2qex s ASP 2 CO 0.00 -0.26 1.41 0.18 -0.17 0.00 0.00 175.17 176.34 2qex n LEU 3 N 5.02 3.51 0.12 -1.34 4.77 -1.26 -4.61 117.00 123.20 2qex n LEU 3 Ca -0.09 -2.00 0.05 0.00 -0.03 0.00 0.00 56.01 53.94 2qex n LEU 3 Cb 0.48 -0.38 0.51 0.00 -2.33 0.00 0.00 43.42 41.70 2qex n LEU 3 CO 0.13 0.88 1.10 0.77 -1.33 0.00 0.00 177.39 178.94 2qex h SER 4 N 3.29 0.25 0.27 -1.43 4.64 -2.00 -1.31 113.55 117.26 2qex h SER 4 Ca 0.00 -0.01 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 2qex h SER 4 Cb 0.88 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 2qex h SER 4 CO 0.00 0.21 -0.72 0.00 -0.87 0.00 0.00 176.83 175.44 2qex h ALA 5 N 1.84 0.61 -0.17 5.18 0.00 -2.01 -2.97 119.26 121.74 2qex h ALA 5 Ca 0.08 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2qex h ALA 5 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qex h ALA 5 CO -0.01 0.76 -0.38 1.96 0.00 0.00 0.00 179.25 181.58 2qex h GLN 6 N 0.27 0.36 -1.00 0.00 7.50 -1.66 -2.72 115.11 117.86 2qex h GLN 6 Ca -0.03 -0.17 0.01 0.00 0.50 0.00 0.00 58.65 58.97 2qex h GLN 6 Cb 1.29 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 28.77 2qex h GLN 6 CO 0.12 0.69 0.66 0.87 -1.50 0.00 0.00 178.83 179.68 2qex h LYS 7 N 0.31 1.31 -0.20 1.46 1.79 -1.11 0.26 116.57 120.38 2qex h LYS 7 Ca 0.03 -0.08 -0.17 0.00 -2.18 0.00 0.00 60.65 58.25 2qex h LYS 7 Cb 0.81 -0.30 -0.00 0.00 -1.58 0.00 0.00 32.23 31.16 2qex h LYS 7 CO 0.06 0.87 -0.56 -0.09 -1.08 0.00 0.00 179.45 178.65 2qex h ARG 8 N 1.35 0.63 -0.31 3.15 2.43 -1.47 -1.82 114.38 118.35 2qex h ARG 8 Ca 0.37 -0.41 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 2qex h ARG 8 Cb -0.15 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2qex h ARG 8 CO -0.08 1.03 -0.46 -0.07 -1.51 0.00 0.00 179.97 178.87 2qex h LEU 9 N 0.48 0.87 -0.21 3.80 3.38 -1.07 -2.89 115.31 119.67 2qex h LEU 9 Ca 0.01 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2qex h LEU 9 Cb 1.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2qex h LEU 9 CO 0.11 1.20 0.08 0.00 0.09 0.00 0.00 178.44 179.92 2qex h ALA 10 N 0.83 0.28 0.00 1.53 0.00 -0.47 -1.66 119.26 119.77 2qex h ALA 10 Ca 0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qex h ALA 10 Cb 1.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2qex h ALA 10 CO 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 179.25 179.21 2qex h ALA 11 N 0.92 1.19 0.13 0.00 0.00 -1.31 -0.06 119.26 120.12 2qex h ALA 11 Ca 0.07 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 2qex h ALA 11 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qex h ALA 11 CO -0.00 0.03 -1.84 0.22 0.00 0.00 0.00 179.25 177.65 2qex h ASP 12 N 0.00 0.43 -0.16 0.00 -0.00 -1.27 -0.35 116.42 115.08 2qex h ASP 12 Ca -0.00 -0.81 -0.07 0.00 -0.00 0.00 0.00 57.03 56.16 2qex h ASP 12 Cb 0.12 -0.14 -0.00 0.00 -0.00 0.00 0.00 39.33 39.31 2qex h ASP 12 CO 0.00 1.71 -0.16 1.62 -0.00 0.00 0.00 179.24 182.41 2qex h VAL 13 N 0.08 1.34 0.00 2.25 3.04 -0.90 -2.91 116.25 119.15 2qex h VAL 13 Ca -0.37 -1.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.01 2qex h VAL 13 Cb 2.05 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 33.18 2qex h VAL 13 CO 0.12 0.39 0.00 0.18 -1.01 0.00 0.00 177.57 177.25 2qex n LEU 14 N -4.53 0.00 -3.51 3.16 4.77 -0.07 -4.95 117.00 111.87 2qex n LEU 14 Ca -0.06 0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 56.24 2qex n LEU 14 Cb 0.37 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 2qex n LEU 14 CO 0.40 -0.01 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.74 2qex n ASP 15 N -1.48 -5.96 -3.64 -1.43 -0.08 -0.88 -5.02 116.55 98.06 2qex n ASP 15 Ca 0.07 -0.60 -0.12 0.00 -1.51 0.00 0.00 54.79 52.64 2qex n ASP 15 Cb 0.32 -3.01 -0.05 0.00 2.34 0.00 0.00 41.12 40.72 2qex n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2qex s VAL 16 N -2.93 0.06 0.33 5.18 1.01 -0.19 -5.02 120.40 118.83 2qex s VAL 16 Ca 0.02 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2qex s VAL 16 Cb -0.00 -1.06 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 2qex s VAL 16 CO 0.84 -0.28 1.33 -0.83 0.00 0.00 0.00 175.10 176.16 2qex s GLY 17 N -2.41 2.93 0.51 4.51 0.00 -1.26 -4.55 107.32 107.05 2qex s GLY 17 Ca -0.01 1.29 0.32 0.00 0.00 0.00 0.00 44.72 46.32 2qex s GLY 17 CO -0.07 1.97 1.79 0.50 0.00 0.00 0.00 173.10 177.29 2qex h LYS 18 N 3.52 0.09 0.00 2.90 1.57 -1.89 0.23 116.57 123.00 2qex h LYS 18 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2qex h LYS 18 Cb 1.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2qex h LYS 18 CO 0.67 0.06 0.00 0.09 -0.57 0.00 0.00 179.45 179.70 2qex n ASN 19 N -4.30 0.00 -0.26 0.86 3.02 -1.26 -2.55 115.26 110.77 2qex n ASN 19 Ca 0.26 -0.49 0.04 0.00 -0.03 0.00 0.00 54.58 54.35 2qex n ASN 19 Cb 1.16 -0.04 0.02 0.00 -0.61 0.00 0.00 39.78 40.31 2qex n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qex n ARG 20 N -1.04 0.73 -3.19 3.52 1.74 0.81 -5.00 116.66 114.22 2qex n ARG 20 Ca 0.13 -0.81 -0.38 0.00 -0.77 0.00 0.00 57.85 56.02 2qex n ARG 20 Cb 0.07 -1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 2qex n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qex s VAL 21 N -0.77 4.64 -0.05 1.55 -7.23 -1.06 0.12 120.40 117.61 2qex s VAL 21 Ca 0.08 1.29 0.06 0.00 -1.81 0.00 0.00 61.98 61.60 2qex s VAL 21 Cb 0.06 -3.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.06 2qex s VAL 21 CO 0.12 0.46 -0.25 0.86 -0.31 0.00 0.00 175.10 175.98 2qex s TRP 22 N -1.22 2.42 -0.15 2.82 -0.00 0.19 -4.91 118.94 118.09 2qex s TRP 22 Ca 0.34 -0.62 0.02 0.00 -0.00 0.00 0.00 56.10 55.84 2qex s TRP 22 Cb -0.19 -1.57 0.01 0.00 -0.00 0.00 0.00 33.47 31.71 2qex s TRP 22 CO 0.21 -0.15 -0.20 -0.06 -0.00 0.00 0.00 176.95 176.75 2qex s PHE 23 N -0.31 2.70 -0.04 5.86 0.40 -1.26 -1.72 117.98 123.62 2qex s PHE 23 Ca 0.01 -1.28 -0.29 0.00 -0.60 0.00 0.00 56.93 54.76 2qex s PHE 23 Cb -0.13 -1.84 -0.08 0.00 0.51 0.00 0.00 43.02 41.49 2qex s PHE 23 CO 0.02 -0.59 2.01 1.21 0.70 0.00 0.00 175.22 178.57 2qex s ASN 24 N 0.84 6.21 0.51 1.36 3.84 -0.79 -4.86 114.94 122.05 2qex s ASN 24 Ca -0.06 2.44 0.25 0.00 0.21 0.00 0.00 52.86 55.70 2qex s ASN 24 Cb -0.15 -2.53 1.35 0.00 -0.55 0.00 0.00 41.25 39.37 2qex s ASN 24 CO -0.02 -1.28 1.94 -0.65 -2.79 0.00 0.00 177.10 174.30 2qex h PRO 25 N 11.66 0.09 0.00 0.43 0.11 -1.98 0.23 132.00 142.54 2qex h PRO 25 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qex h PRO 25 Cb 1.23 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qex h PRO 25 CO 0.95 0.06 0.00 0.93 -0.21 0.00 0.00 178.00 179.73 2qex h GLU 26 N 0.10 0.00 -0.41 1.05 5.08 -2.00 -3.29 114.58 115.10 2qex h GLU 26 Ca 0.34 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.54 2qex h GLU 26 Cb 1.22 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.38 2qex h GLU 26 CO -0.04 0.00 0.03 0.54 -1.00 0.00 0.00 179.01 178.55 2qex n ARG 27 N -2.41 2.27 -0.21 2.33 1.74 0.07 -4.66 116.66 115.79 2qex n ARG 27 Ca 0.05 -3.07 -0.02 0.00 -0.77 0.00 0.00 57.85 54.05 2qex n ARG 27 Cb 0.44 -1.88 0.09 0.00 -1.02 0.00 0.00 32.46 30.10 2qex n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qex h GLN 28 N 1.30 0.57 -0.81 5.56 4.20 -1.63 -0.68 115.11 123.62 2qex h GLN 28 Ca 0.20 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.93 2qex h GLN 28 Cb 1.75 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 29.35 2qex h GLN 28 CO 0.43 0.38 0.50 0.78 -0.67 0.00 0.00 178.83 180.25 2qex h GLY 29 N 0.59 1.21 0.80 3.46 0.00 -1.90 0.45 103.07 107.68 2qex h GLY 29 Ca 0.29 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2qex h GLY 29 CO -0.21 0.27 -0.05 -0.55 0.00 0.00 0.00 176.54 176.00 2qex h ASP 30 N 0.94 0.39 -0.24 0.19 3.32 -1.70 -2.97 116.42 116.35 2qex h ASP 30 Ca 0.35 -0.37 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2qex h ASP 30 Cb 0.13 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2qex h ASP 30 CO -0.16 0.67 -0.01 0.40 -1.72 0.00 0.00 179.24 178.43 2qex h ILE 31 N 0.11 1.20 -0.71 0.35 2.04 -0.71 -2.99 117.51 116.81 2qex h ILE 31 Ca 0.05 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.16 2qex h ILE 31 Cb 0.50 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 2qex h ILE 31 CO 0.02 0.28 0.39 0.00 0.00 0.00 0.00 178.15 178.84 2qex h ALA 32 N 1.48 0.96 0.00 1.87 0.00 0.04 -1.25 119.26 122.36 2qex h ALA 32 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qex h ALA 32 Cb 0.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qex h ALA 32 CO 0.01 0.06 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 2qex n ASP 33 N -4.78 0.00 -4.61 0.00 8.00 -1.14 -4.75 116.55 109.27 2qex n ASP 33 Ca 0.10 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.12 2qex n ASP 33 Cb 0.20 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 2qex n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qex s ALA 34 N -2.64 3.06 -0.25 2.24 0.00 -0.47 -4.85 121.76 118.84 2qex s ALA 34 Ca 0.26 0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 2qex s ALA 34 Cb 0.20 -3.93 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 2qex s ALA 34 CO 0.47 -2.34 -0.31 -0.89 0.00 0.00 0.00 175.76 172.68 2qex n ILE 35 N 7.01 1.38 -3.18 0.00 2.08 -1.26 -4.91 119.36 120.48 2qex n ILE 35 Ca 0.18 -0.36 -0.22 0.00 0.56 0.00 0.00 62.75 62.90 2qex n ILE 35 Cb 0.47 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 2qex n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2qex s THR 36 N -2.46 4.32 0.50 1.39 -4.23 -1.26 -4.99 115.64 108.91 2qex s THR 36 Ca -0.35 -0.58 0.15 0.00 -1.18 0.00 0.00 61.69 59.73 2qex s THR 36 Cb 0.13 -3.57 0.26 0.00 1.34 0.00 0.00 72.50 70.66 2qex s THR 36 CO 0.45 -0.36 2.13 0.03 -0.54 0.00 0.00 174.62 176.32 2qex h ARG 37 N 0.58 0.05 -0.23 3.99 3.08 -1.97 -0.84 114.38 119.04 2qex h ARG 37 Ca -0.47 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 2qex h ARG 37 Cb 1.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2qex h ARG 37 CO 0.58 0.05 0.02 1.49 -1.07 0.00 0.00 179.97 181.04 2qex h GLU 38 N 0.05 0.38 -0.88 0.04 4.57 -1.99 -1.25 114.58 115.50 2qex h GLU 38 Ca 0.01 -0.11 0.10 0.00 -1.18 0.00 0.00 59.36 58.18 2qex h GLU 38 Cb 0.03 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.51 2qex h GLU 38 CO -0.00 0.54 0.57 -0.44 -1.18 0.00 0.00 179.01 178.50 2qex h ASP 39 N 0.17 0.78 -0.10 1.04 3.32 -1.57 -0.42 116.42 119.64 2qex h ASP 39 Ca 0.07 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 2qex h ASP 39 Cb 0.36 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2qex h ASP 39 CO 0.01 0.45 -0.07 0.58 -1.72 0.00 0.00 179.24 178.49 2qex h VAL 40 N 0.86 1.34 -0.96 -1.35 2.07 -1.00 -1.75 116.25 115.45 2qex h VAL 40 Ca 0.41 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.80 2qex h VAL 40 Cb 0.43 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 32.04 2qex h VAL 40 CO -0.18 0.32 0.63 0.03 0.02 0.00 0.00 177.57 178.40 2qex h ARG 41 N -0.16 1.24 -0.14 1.57 3.08 -0.68 0.26 114.38 119.55 2qex h ARG 41 Ca 0.02 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2qex h ARG 41 Cb 0.55 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2qex h ARG 41 CO 0.02 0.82 -0.01 1.49 -1.07 0.00 0.00 179.97 181.22 2qex h GLU 42 N 1.28 0.03 -0.07 0.04 4.81 -1.04 0.12 114.58 119.75 2qex h GLU 42 Ca 0.36 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.52 2qex h GLU 42 Cb -0.11 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2qex h GLU 42 CO -0.09 0.02 -0.27 -0.07 -0.73 0.00 0.00 179.01 177.87 2qex h LEU 43 N 0.03 0.12 0.13 1.64 3.38 -0.42 -1.97 115.31 118.22 2qex h LEU 43 Ca 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qex h LEU 43 Cb 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2qex h LEU 43 CO -0.11 0.40 -0.06 0.58 0.09 0.00 0.00 178.44 179.33 2qex h VAL 44 N 0.11 0.98 0.00 1.22 2.07 0.34 -1.99 116.25 118.99 2qex h VAL 44 Ca 0.02 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2qex h VAL 44 Cb 0.54 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2qex h VAL 44 CO 0.04 0.11 0.00 0.44 0.02 0.00 0.00 177.57 178.18 2qex h ASP 45 N -0.39 0.00 0.68 0.57 3.32 -0.40 0.52 116.42 120.73 2qex h ASP 45 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qex h ASP 45 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2qex h ASP 45 CO 0.03 0.00 -0.35 -0.62 -1.72 0.00 0.00 179.24 176.58 2qex n GLU 46 N -3.01 0.02 -0.72 3.56 1.02 -0.78 -4.93 120.64 115.80 2qex n GLU 46 Ca -0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2qex n GLU 46 Cb 0.08 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 2qex n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qex n GLY 47 N 1.49 0.78 0.18 0.62 0.00 0.18 -4.92 105.19 103.52 2qex n GLY 47 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 2qex n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex h ALA 48 N 0.00 1.16 -3.27 4.61 0.00 -1.56 -3.42 119.26 116.78 2qex h ALA 48 Ca 0.00 -0.42 -0.67 0.00 0.00 0.00 0.00 54.91 53.82 2qex h ALA 48 Cb 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 17.41 2qex h ALA 48 CO 0.00 0.59 -0.82 0.42 0.00 0.00 0.00 179.25 179.44 2qex s ILE 49 N -4.05 2.58 0.05 0.00 1.01 -1.22 -1.89 121.20 117.69 2qex s ILE 49 Ca -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 2qex s ILE 49 Cb 0.13 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2qex s ILE 49 CO 0.76 0.53 -0.03 -1.10 0.00 0.00 0.00 174.94 175.10 2qex s GLN 50 N 0.54 0.57 -0.21 2.79 -0.21 -0.70 -4.59 119.66 117.84 2qex s GLN 50 Ca -0.11 -1.13 -0.07 0.00 0.02 0.00 0.00 55.36 54.08 2qex s GLN 50 Cb -0.16 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 34.01 2qex s GLN 50 CO 0.04 -0.10 0.05 0.00 -2.12 0.00 0.00 175.29 173.16 2qex s ALA 51 N -3.54 3.22 0.67 6.09 0.00 -1.26 0.54 121.76 127.48 2qex s ALA 51 Ca 0.04 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 2qex s ALA 51 Cb 0.05 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.23 2qex s ALA 51 CO -0.09 -0.16 1.09 0.21 0.00 0.00 0.00 175.76 176.82 2qex s LYS 52 N 1.02 2.78 0.30 0.00 2.20 0.12 -4.98 119.74 121.18 2qex s LYS 52 Ca 0.03 1.28 -0.25 0.00 -0.36 0.00 0.00 55.97 56.67 2qex s LYS 52 Cb -0.14 -1.96 -0.10 0.00 -1.51 0.00 0.00 37.83 34.13 2qex s LYS 52 CO 0.03 -1.25 0.90 -0.51 -0.36 0.00 0.00 175.35 174.16 2qex s ASP 53 N -2.88 7.31 0.22 1.43 1.01 -1.26 -4.95 116.67 117.55 2qex s ASP 53 Ca 0.64 1.76 -0.07 0.00 0.71 0.00 0.00 52.55 55.60 2qex s ASP 53 Cb -0.19 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.13 2qex s ASP 53 CO 0.45 -0.03 0.51 -1.59 0.21 0.00 0.00 175.17 174.71 2qex s LYS 54 N -1.98 3.71 0.64 8.23 -2.85 -1.26 -5.09 119.74 121.15 2qex s LYS 54 Ca 0.48 0.12 0.02 0.00 -1.00 0.00 0.00 55.97 55.59 2qex s LYS 54 Cb -0.19 -2.70 0.10 0.00 -2.06 0.00 0.00 37.83 32.98 2qex s LYS 54 CO 0.24 0.33 0.89 -1.59 0.10 0.00 0.00 175.35 175.31 2qex s LYS 55 N -2.97 2.02 -0.10 1.78 -2.85 -1.26 -5.12 119.74 111.24 2qex s LYS 55 Ca 0.45 -1.18 -0.10 0.00 -1.00 0.00 0.00 55.97 54.13 2qex s LYS 55 Cb -0.11 -2.45 0.03 0.00 -2.06 0.00 0.00 37.83 33.24 2qex s LYS 55 CO 0.24 -1.14 0.29 0.20 0.10 0.00 0.00 175.35 175.05 2qex s GLY 56 N -4.65 -0.21 0.21 0.59 0.00 -1.26 -5.14 107.32 96.87 2qex s GLY 56 Ca 0.63 0.77 -0.30 0.00 0.00 0.00 0.00 44.72 45.82 2qex s GLY 56 CO 0.42 0.65 1.36 -1.31 0.00 0.00 0.00 173.10 174.21 2qex s ASN 57 N 0.02 6.81 0.03 1.64 -0.87 -1.26 -4.95 114.94 116.35 2qex s ASN 57 Ca -0.01 2.49 -0.30 0.00 -1.57 0.00 0.00 52.86 53.46 2qex s ASN 57 Cb -0.02 -2.61 -0.07 0.00 -0.02 0.00 0.00 41.25 38.53 2qex s ASN 57 CO 0.01 -0.59 1.54 -0.44 -2.57 0.00 0.00 177.10 175.04 2qex s SER 58 N 0.39 6.72 0.00 -1.22 0.01 -1.26 -4.89 113.70 113.45 2qex s SER 58 Ca 0.58 2.29 0.20 0.00 1.31 0.00 0.00 55.95 60.34 2qex s SER 58 Cb -0.38 -2.56 0.54 0.00 0.21 0.00 0.00 66.02 63.83 2qex s SER 58 CO 0.39 -0.81 1.44 0.54 0.41 0.00 0.00 173.24 175.21 2qex n ARG 59 N 5.62 2.17 0.13 12.44 1.74 -1.26 -4.59 116.66 132.92 2qex n ARG 59 Ca 0.15 -1.78 -0.13 0.00 -0.77 0.00 0.00 57.85 55.31 2qex n ARG 59 Cb 0.42 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.36 2qex n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2qex h GLY 60 N 4.79 -0.44 1.83 -0.13 0.00 -2.00 -0.88 103.07 106.25 2qex h GLY 60 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.54 2qex h GLY 60 CO 0.00 -0.20 -0.08 3.21 0.00 0.00 0.00 176.54 179.47 2qex h ARG 61 N -0.44 0.21 0.13 4.80 3.08 -2.01 -2.08 114.38 118.08 2qex h ARG 61 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2qex h ARG 61 Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2qex h ARG 61 CO -0.09 0.31 -0.06 0.00 -1.07 0.00 0.00 179.97 179.06 2qex h ALA 62 N 1.72 -0.17 -0.62 0.04 0.00 -1.78 -2.62 119.26 115.82 2qex h ALA 62 Ca 0.05 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2qex h ALA 62 Cb 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2qex h ALA 62 CO 0.01 -0.47 0.22 0.00 0.00 0.00 0.00 179.25 179.01 2qex h ARG 63 N -0.43 0.38 -0.73 0.00 3.08 -0.73 0.18 114.38 116.14 2qex h ARG 63 Ca -0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2qex h ARG 63 Cb 0.34 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 2qex h ARG 63 CO 0.03 0.25 0.48 1.49 -1.07 0.00 0.00 179.97 181.15 2qex h GLU 64 N 0.39 0.92 -0.12 0.04 4.81 -1.34 -2.19 114.58 117.09 2qex h GLU 64 Ca 0.31 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 2qex h GLU 64 Cb 0.40 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2qex h GLU 64 CO -0.32 0.61 -0.43 -0.09 -0.73 0.00 0.00 179.01 178.04 2qex h ARG 65 N 0.95 0.51 -0.43 1.92 2.43 -0.71 -3.04 114.38 116.01 2qex h ARG 65 Ca 0.27 -0.38 0.11 0.00 -0.81 0.00 0.00 59.98 59.17 2qex h ARG 65 Cb -0.05 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2qex h ARG 65 CO -0.07 1.01 0.30 1.96 -1.51 0.00 0.00 179.97 181.67 2qex h GLN 66 N 0.12 0.09 0.20 0.20 4.20 -0.24 -1.78 115.11 117.90 2qex h GLN 66 Ca -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2qex h GLN 66 Cb 1.06 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2qex h GLN 66 CO 0.09 0.06 -0.10 0.87 -0.67 0.00 0.00 178.83 179.08 2qex h LYS 67 N 0.09 -0.26 -0.92 1.46 1.57 -1.36 -1.28 116.57 115.87 2qex h LYS 67 Ca 0.20 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.17 2qex h LYS 67 Cb 0.69 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.99 2qex h LYS 67 CO -0.02 0.13 0.59 0.87 -0.57 0.00 0.00 179.45 180.46 2qex h LYS 68 N -0.83 0.59 0.10 3.15 1.79 -1.31 -0.70 116.57 119.37 2qex h LYS 68 Ca -0.03 -0.04 -0.29 0.00 -2.18 0.00 0.00 60.65 58.11 2qex h LYS 68 Cb 0.52 -0.13 0.03 0.00 -1.58 0.00 0.00 32.23 31.06 2qex h LYS 68 CO 0.05 0.39 -1.21 0.00 -1.08 0.00 0.00 179.45 177.60 2qex h ARG 69 N 0.61 0.64 0.00 3.15 3.08 -1.35 0.35 114.38 120.85 2qex h ARG 69 Ca 0.48 -0.82 -0.02 0.00 0.07 0.00 0.00 59.98 59.69 2qex h ARG 69 Cb 0.91 0.27 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 2qex h ARG 69 CO -0.23 1.37 -0.08 0.00 -1.07 0.00 0.00 179.97 179.97 2qex h ALA 70 N 0.30 1.10 0.00 0.04 0.00 -0.59 -0.12 119.26 119.98 2qex h ALA 70 Ca -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qex h ALA 70 Cb 1.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2qex h ALA 70 CO 0.23 0.10 -0.31 -0.92 0.00 0.00 0.00 179.25 178.35 2qex h TYR 71 N 0.00 0.00 0.00 0.00 3.20 -1.09 -3.48 116.97 115.61 2qex h TYR 71 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qex h TYR 71 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2qex h TYR 71 CO 0.00 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.93 2qex n GLY 72 N 1.23 0.80 4.00 1.82 0.00 -0.06 -5.08 105.19 107.90 2qex n GLY 72 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 2qex n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qex s HIS 73 N -2.00 2.60 -1.77 1.61 3.76 0.12 -4.51 115.29 115.09 2qex s HIS 73 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 2qex s HIS 73 Cb 0.00 -2.56 0.00 0.00 1.11 0.00 0.00 32.58 31.13 2qex s HIS 73 CO 0.00 -0.77 0.00 1.04 -0.85 0.00 0.00 174.74 174.16 2qex n GLN 74 N -2.16 -1.70 -1.29 1.40 6.02 -1.26 -3.68 117.38 114.70 2qex n GLN 74 Ca 0.09 1.00 0.02 0.00 -0.01 0.00 0.00 57.00 58.11 2qex n GLN 74 Cb 0.60 -5.63 0.10 0.00 1.02 0.00 0.00 30.24 26.33 2qex n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2qex n LYS 75 N -2.92 1.08 -1.63 -1.09 5.02 -1.26 -4.90 118.16 112.46 2qex n LYS 75 Ca -0.23 -2.83 -0.30 0.00 -2.02 0.00 0.00 58.31 52.93 2qex n LYS 75 Cb 0.68 -0.97 0.19 0.00 -0.02 0.00 0.00 35.03 34.90 2qex n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qex s GLY 76 N -2.78 1.68 0.31 0.72 0.00 -1.26 -4.86 107.32 101.12 2qex s GLY 76 Ca 0.36 -0.98 0.07 0.00 0.00 0.00 0.00 44.72 44.17 2qex s GLY 76 CO -0.10 -0.24 1.74 0.00 0.00 0.00 0.00 173.10 174.50 2qex h ALA 77 N -1.84 1.67 0.00 3.20 0.00 -1.98 -0.68 119.26 119.62 2qex h ALA 77 Ca -0.46 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qex h ALA 77 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qex h ALA 77 CO 0.43 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2qex n GLY 78 N -1.32 -0.84 0.00 0.00 0.00 -1.26 -3.26 105.19 98.51 2qex n GLY 78 Ca 0.24 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.26 2qex n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qex n SER 79 N -0.63 2.27 -4.80 1.61 7.64 -0.26 -5.01 113.62 114.43 2qex n SER 79 Ca 0.05 -0.20 -0.38 0.00 1.01 0.00 0.00 58.87 59.36 2qex n SER 79 Cb 0.02 1.29 -0.06 0.00 -1.01 0.00 0.00 64.21 64.45 2qex n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2qex s ARG 80 N -2.38 4.39 0.00 1.43 0.52 -1.20 -4.97 118.95 116.74 2qex s ARG 80 Ca -0.01 1.00 0.00 0.00 -0.52 0.00 0.00 55.73 56.20 2qex s ARG 80 Cb 0.06 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2qex s ARG 80 CO 0.36 0.47 0.00 1.17 0.02 0.00 0.00 175.30 177.32 2qex n LYS 81 N 1.11 0.00 -1.75 3.54 3.00 -1.26 -5.06 118.16 117.74 2qex n LYS 81 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.96 2qex n LYS 81 Cb 0.50 -0.86 0.03 0.00 0.00 0.00 0.00 35.03 34.70 2qex n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2qex s GLY 82 N -4.09 1.65 0.96 3.14 0.00 -1.26 -5.05 107.32 102.67 2qex s GLY 82 Ca 0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 44.72 44.52 2qex s GLY 82 CO 0.00 0.23 1.09 1.25 0.00 0.00 0.00 173.10 175.67 2qex s LYS 83 N -5.16 0.76 0.10 2.90 2.47 -1.26 -4.80 119.74 114.74 2qex s LYS 83 Ca 0.57 0.68 -0.32 0.00 -1.56 0.00 0.00 55.97 55.34 2qex s LYS 83 Cb -0.12 -1.76 -0.12 0.00 -1.46 0.00 0.00 37.83 34.36 2qex s LYS 83 CO 0.54 -2.55 1.59 0.00 0.16 0.00 0.00 175.35 175.09 2qex h ALA 84 N -1.77 -0.82 0.00 3.13 0.00 -1.96 -1.72 119.26 116.13 2qex h ALA 84 Ca -0.52 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2qex h ALA 84 Cb 1.31 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2qex h ALA 84 CO 0.56 -1.01 0.00 0.41 0.00 0.00 0.00 179.25 179.21 2qex n GLY 85 N -1.48 -0.66 0.12 0.00 0.00 -1.26 -0.96 105.19 100.95 2qex n GLY 85 Ca -0.09 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2qex n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex h ALA 86 N 1.99 0.34 -0.03 4.61 0.00 -1.68 -3.27 119.26 121.22 2qex h ALA 86 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 54.91 53.58 2qex h ALA 86 Cb 0.01 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qex h ALA 86 CO 0.00 1.20 -0.53 0.00 0.00 0.00 0.00 179.25 179.93 2qex h ARG 87 N 0.07 0.08 -2.53 0.00 3.08 -0.54 -3.42 114.38 111.11 2qex h ARG 87 Ca -0.30 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 59.48 2qex h ARG 87 Cb 2.04 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 31.77 2qex h ARG 87 CO 0.14 0.59 -0.53 -1.14 -1.07 0.00 0.00 179.97 177.96 2qex s GLN 88 N -3.86 0.22 -0.04 0.04 0.74 -0.85 -5.13 119.66 110.78 2qex s GLN 88 Ca -0.03 0.59 -0.30 0.00 0.05 0.00 0.00 55.36 55.67 2qex s GLN 88 Cb 0.13 -0.40 -0.05 0.00 1.10 0.00 0.00 33.01 33.78 2qex s GLN 88 CO 0.76 -0.45 1.58 1.21 -0.55 0.00 0.00 175.29 177.84 2qex s ASN 89 N 2.44 6.71 0.19 6.67 3.84 -1.23 -4.35 114.94 129.21 2qex s ASN 89 Ca 0.05 2.19 -0.07 0.00 0.21 0.00 0.00 52.86 55.24 2qex s ASN 89 Cb -0.14 -2.54 0.09 0.00 -0.55 0.00 0.00 41.25 38.11 2qex s ASN 89 CO -0.11 -0.88 1.58 0.77 -2.79 0.00 0.00 177.10 175.67 2qex h SER 90 N 9.03 0.91 0.08 -4.21 4.64 -1.96 -1.36 113.55 120.68 2qex h SER 90 Ca -0.38 -0.34 -0.07 0.00 -0.47 0.00 0.00 61.79 60.53 2qex h SER 90 Cb 1.17 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 2qex h SER 90 CO 0.95 1.10 -0.21 0.50 -0.87 0.00 0.00 176.83 178.29 2qex h LYS 91 N 0.77 0.25 0.01 4.77 3.11 -1.98 -1.20 116.57 122.31 2qex h LYS 91 Ca 0.10 -0.07 -0.24 0.00 -2.81 0.00 0.00 60.65 57.63 2qex h LYS 91 Cb 0.78 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 31.99 2qex h LYS 91 CO 0.06 0.46 -0.99 0.93 -2.81 0.00 0.00 179.45 177.10 2qex h GLU 92 N 0.23 0.46 0.00 1.90 5.08 -1.91 -2.68 114.58 117.65 2qex h GLU 92 Ca 0.04 -0.51 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 2qex h GLU 92 Cb 0.51 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2qex h GLU 92 CO 0.03 1.16 -0.40 0.22 -1.00 0.00 0.00 179.01 179.03 2qex h ASP 93 N 0.25 0.00 -0.19 1.42 3.58 -0.89 -1.10 116.42 119.48 2qex h ASP 93 Ca -0.10 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.25 2qex h ASP 93 Cb 1.63 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.68 2qex h ASP 93 CO 0.18 0.40 -0.28 -0.25 -2.88 0.00 0.00 179.24 176.40 2qex h TRP 94 N 0.00 0.66 -0.11 0.28 2.91 -1.20 -2.09 115.95 116.39 2qex h TRP 94 Ca -0.00 -0.22 -0.00 0.00 1.13 0.00 0.00 58.89 59.80 2qex h TRP 94 Cb 0.73 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.25 2qex h TRP 94 CO 0.00 0.93 0.07 0.93 -1.03 0.00 0.00 178.44 179.34 2qex h GLU 95 N 0.20 0.15 -0.41 2.65 5.08 -1.14 0.19 114.58 121.31 2qex h GLU 95 Ca 0.02 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2qex h GLU 95 Cb 0.85 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 2qex h GLU 95 CO 0.06 0.13 -0.04 1.03 -1.00 0.00 0.00 179.01 179.20 2qex h SER 96 N 0.13 -0.25 0.17 1.42 0.87 -1.22 -1.39 113.55 113.28 2qex h SER 96 Ca 0.04 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2qex h SER 96 Cb 0.02 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2qex h SER 96 CO -0.01 -0.08 -0.08 0.03 -0.53 0.00 0.00 176.83 176.16 2qex h ARG 97 N 0.06 -0.22 -0.60 2.24 3.08 -1.08 -3.04 114.38 114.83 2qex h ARG 97 Ca 0.20 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 2qex h ARG 97 Cb 0.29 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2qex h ARG 97 CO -0.37 0.14 0.17 0.97 -1.07 0.00 0.00 179.97 179.82 2qex h ILE 98 N -0.63 1.23 -0.34 2.04 -0.00 -0.52 -1.92 117.51 117.37 2qex h ILE 98 Ca -0.02 -0.81 -0.05 0.00 -0.00 0.00 0.00 64.86 63.98 2qex h ILE 98 Cb 0.46 0.59 -0.02 0.00 -0.00 0.00 0.00 36.82 37.86 2qex h ILE 98 CO 0.04 0.31 0.02 0.03 -0.00 0.00 0.00 178.15 178.55 2qex h ARG 99 N 0.88 0.52 -0.27 2.19 3.08 -1.34 -1.28 114.38 118.16 2qex h ARG 99 Ca 0.20 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 2qex h ARG 99 Cb 0.28 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2qex h ARG 99 CO -0.01 0.54 -0.10 0.00 -1.07 0.00 0.00 179.97 179.33 2qex h ALA 100 N 1.52 0.38 -0.12 0.04 0.00 -1.28 -2.04 119.26 117.76 2qex h ALA 100 Ca 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2qex h ALA 100 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qex h ALA 100 CO 0.01 0.23 -0.27 1.96 0.00 0.00 0.00 179.25 181.17 2qex h GLN 101 N 0.30 0.22 -0.01 0.00 4.20 -0.95 -1.95 115.11 116.91 2qex h GLN 101 Ca 0.07 -0.08 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 2qex h GLN 101 Cb 0.60 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2qex h GLN 101 CO 0.03 0.49 -0.80 0.00 -0.67 0.00 0.00 178.83 177.88 2qex h ARG 102 N 0.20 0.17 -0.41 1.46 3.08 -1.16 -2.70 114.38 115.03 2qex h ARG 102 Ca 0.03 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 2qex h ARG 102 Cb 0.59 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 2qex h ARG 102 CO 0.04 0.88 -0.21 1.15 -1.07 0.00 0.00 179.97 180.77 2qex h THR 103 N 0.11 1.28 0.26 2.04 2.02 -1.04 -2.20 112.91 115.38 2qex h THR 103 Ca -0.03 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.80 2qex h THR 103 Cb 1.39 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 69.06 2qex h THR 103 CO 0.12 0.45 -0.23 0.50 0.37 0.00 0.00 175.52 176.73 2qex h LYS 104 N 0.68 -0.50 0.00 6.66 1.63 -1.31 -1.42 116.57 122.31 2qex h LYS 104 Ca 0.09 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.92 2qex h LYS 104 Cb 0.77 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2qex h LYS 104 CO 0.06 -0.33 -0.03 -0.07 -3.45 0.00 0.00 179.45 175.63 2qex h LEU 105 N -0.52 0.00 -0.10 5.20 3.38 -1.47 -1.90 115.31 119.91 2qex h LEU 105 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2qex h LEU 105 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2qex h LEU 105 CO -0.04 0.03 -0.61 -0.09 0.09 0.00 0.00 178.44 177.82 2qex h ARG 106 N 0.00 0.60 -0.09 1.13 2.43 -0.63 -2.74 114.38 115.08 2qex h ARG 106 Ca -0.00 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2qex h ARG 106 Cb 0.10 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2qex h ARG 106 CO 0.00 1.13 -0.05 0.93 -1.51 0.00 0.00 179.97 180.47 2qex h GLU 107 N 0.24 0.19 -0.92 0.20 5.08 -0.56 -2.71 114.58 116.10 2qex h GLU 107 Ca -0.05 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.31 2qex h GLU 107 Cb 1.26 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 2qex h GLU 107 CO 0.13 0.57 0.59 -0.07 -1.00 0.00 0.00 179.01 179.23 2qex h LEU 108 N -0.19 0.86 -0.81 1.33 3.38 -1.48 0.26 115.31 118.65 2qex h LEU 108 Ca 0.02 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2qex h LEU 108 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qex h LEU 108 CO 0.02 0.51 -0.06 -0.09 0.09 0.00 0.00 178.44 178.91 2qex h ARG 109 N 0.95 0.83 0.00 1.13 2.43 -1.44 -2.11 114.38 116.18 2qex h ARG 109 Ca 0.42 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2qex h ARG 109 Cb 0.36 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2qex h ARG 109 CO -0.18 0.87 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.64 2qex h ASP 110 N 0.76 0.00 0.59 -3.80 5.19 -0.65 -2.55 116.42 115.97 2qex h ASP 110 Ca 0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2qex h ASP 110 Cb 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 2qex h ASP 110 CO 0.03 0.07 -0.47 -0.62 -3.12 0.00 0.00 179.24 175.13 2qex n GLU 111 N -3.15 0.04 0.00 3.56 1.02 -0.59 -4.94 120.64 116.58 2qex n GLU 111 Ca 0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2qex n GLU 111 Cb 0.43 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2qex n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qex n GLY 112 N 1.48 2.59 0.35 0.62 0.00 -0.96 -4.93 105.19 104.33 2qex n GLY 112 Ca 0.05 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.28 2qex n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qex h THR 113 N 0.00 0.44 -3.37 2.61 2.02 -1.62 -3.39 112.91 109.61 2qex h THR 113 Ca 0.00 -0.16 -0.66 0.00 0.77 0.00 0.00 66.41 66.36 2qex h THR 113 Cb 0.00 -0.06 -0.27 0.00 -1.74 0.00 0.00 68.15 66.08 2qex h THR 113 CO 0.00 0.08 -0.78 -0.76 0.37 0.00 0.00 175.52 174.44 2qex s LEU 114 N -10.27 2.64 0.66 2.58 1.43 -1.09 -5.00 118.68 109.64 2qex s LEU 114 Ca -0.10 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 2qex s LEU 114 Cb 0.28 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.91 2qex s LEU 114 CO 0.80 0.18 1.06 -0.94 0.23 0.00 0.00 176.35 177.67 2qex s SER 115 N 0.28 5.81 0.43 2.29 1.04 -1.26 -4.43 113.70 117.87 2qex s SER 115 Ca -0.11 1.26 0.12 0.00 0.48 0.00 0.00 55.95 57.70 2qex s SER 115 Cb -0.16 -2.18 1.00 0.00 0.10 0.00 0.00 66.02 64.79 2qex s SER 115 CO 0.06 -1.12 2.01 0.77 0.98 0.00 0.00 173.24 175.94 2qex h SER 116 N -0.49 0.37 0.53 7.02 4.64 -1.97 0.10 113.55 123.75 2qex h SER 116 Ca -0.45 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.72 2qex h SER 116 Cb 1.22 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2qex h SER 116 CO 0.63 0.24 -0.71 0.77 -0.87 0.00 0.00 176.83 176.89 2qex h SER 117 N 0.42 0.18 -0.02 4.97 4.64 -1.99 -1.06 113.55 120.69 2qex h SER 117 Ca 0.23 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2qex h SER 117 Cb 0.35 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2qex h SER 117 CO -0.06 0.83 -0.28 1.56 -0.87 0.00 0.00 176.83 178.01 2qex h GLN 118 N 0.10 0.23 -0.10 4.77 4.20 -1.72 -2.72 115.11 119.87 2qex h GLN 118 Ca -0.02 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.52 2qex h GLN 118 Cb 1.26 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 29.04 2qex h GLN 118 CO 0.10 0.91 -0.28 -0.92 -0.67 0.00 0.00 178.83 177.98 2qex h TYR 119 N -0.38 -0.76 -0.05 2.96 3.20 -0.81 -0.65 116.97 120.48 2qex h TYR 119 Ca -0.03 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2qex h TYR 119 Cb 1.00 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.56 2qex h TYR 119 CO 0.16 -0.36 -0.34 -0.09 -1.64 0.00 0.00 178.16 175.89 2qex h ARG 120 N -0.37 -0.45 -0.96 1.82 9.65 -1.27 0.32 114.38 123.12 2qex h ARG 120 Ca 0.09 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.14 2qex h ARG 120 Cb 0.51 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 29.10 2qex h ARG 120 CO -0.31 -0.30 0.58 0.22 2.80 0.00 0.00 179.97 182.96 2qex h ASP 121 N -0.46 0.81 -0.06 -3.80 1.82 -1.14 -0.48 116.42 113.11 2qex h ASP 121 Ca 0.07 0.06 -0.17 0.00 -0.39 0.00 0.00 57.03 56.60 2qex h ASP 121 Cb 0.57 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.50 2qex h ASP 121 CO -0.30 0.40 -0.64 -0.07 -1.61 0.00 0.00 179.24 177.01 2qex h LEU 122 N 0.87 0.67 -0.26 2.28 3.38 -0.36 -2.95 115.31 118.95 2qex h LEU 122 Ca 0.50 -0.69 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2qex h LEU 122 Cb 0.58 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2qex h LEU 122 CO -0.30 1.26 -0.01 0.22 0.09 0.00 0.00 178.44 179.70 2qex h TYR 123 N 0.13 -0.03 -0.39 1.13 3.20 0.20 -1.46 116.97 119.74 2qex h TYR 123 Ca -0.06 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 2qex h TYR 123 Cb 1.31 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 2qex h TYR 123 CO 0.12 -0.05 0.03 -0.44 -1.64 0.00 0.00 178.16 176.17 2qex h ASP 124 N 0.06 0.57 0.40 -2.11 3.32 -1.19 -2.04 116.42 115.44 2qex h ASP 124 Ca 0.12 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 2qex h ASP 124 Cb 0.16 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2qex h ASP 124 CO -0.22 0.63 -0.47 0.11 -1.72 0.00 0.00 179.24 177.57 2qex h LYS 125 N 0.59 0.08 -0.12 3.56 1.57 -1.24 -2.51 116.57 118.50 2qex h LYS 125 Ca 0.13 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 2qex h LYS 125 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2qex h LYS 125 CO 0.01 0.53 -0.28 0.00 -0.57 0.00 0.00 179.45 179.14 2qex h ALA 126 N 1.46 0.19 0.00 3.86 0.00 -0.83 -1.82 119.26 122.13 2qex h ALA 126 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qex h ALA 126 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2qex h ALA 126 CO 0.06 0.20 0.00 0.78 0.00 0.00 0.00 179.25 180.29 2qex h GLY 127 N -0.03 0.00 -1.33 0.00 0.00 -1.28 0.37 103.07 100.80 2qex h GLY 127 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qex h GLY 127 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 2qex n GLY 128 N -0.78 0.73 2.57 4.60 0.00 -0.95 -4.97 105.19 106.38 2qex n GLY 128 Ca -0.00 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2qex n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 129 N 1.27 -0.14 0.04 -0.02 0.00 0.13 -4.97 105.19 101.50 2qex n GLY 129 Ca 0.17 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.27 2qex n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qex n GLU 130 N -2.92 0.65 -4.66 1.61 -0.58 -0.70 -4.91 120.64 109.12 2qex n GLU 130 Ca -0.16 -0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.14 2qex n GLU 130 Cb 0.60 -1.60 -0.14 0.00 -0.57 0.00 0.00 31.44 29.73 2qex n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2qex s PHE 131 N -3.46 2.82 -0.00 -0.32 2.99 -1.26 -5.03 117.98 113.73 2qex s PHE 131 Ca -0.06 -0.72 -0.24 0.00 0.00 0.00 0.00 56.93 55.90 2qex s PHE 131 Cb 0.13 -1.87 -0.16 0.00 0.00 0.00 0.00 43.02 41.11 2qex s PHE 131 CO 0.88 -0.27 1.17 -0.44 -0.00 0.00 0.00 175.22 176.56 2qex h ASP 132 N 6.91 -0.33 -3.99 1.36 3.32 -1.93 -3.48 116.42 118.27 2qex h ASP 132 Ca -0.28 -0.19 -0.34 0.00 0.02 0.00 0.00 57.03 56.23 2qex h ASP 132 Cb 1.20 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.76 2qex h ASP 132 CO 0.56 0.06 -0.31 -1.54 -1.72 0.00 0.00 179.24 176.29 2qex n SER 133 N -5.11 0.19 -0.13 6.45 3.41 -1.26 -5.02 113.62 112.16 2qex n SER 133 Ca -0.09 -2.47 -0.10 0.00 -0.26 0.00 0.00 58.87 55.95 2qex n SER 133 Cb 0.26 0.95 -0.01 0.00 -0.26 0.00 0.00 64.21 65.15 2qex n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qex h VAL 134 N 1.61 1.22 -0.68 -3.33 2.07 -1.92 -2.50 116.25 112.71 2qex h VAL 134 Ca -0.18 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.66 2qex h VAL 134 Cb 0.81 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 2qex h VAL 134 CO 0.27 0.25 0.42 0.00 0.02 0.00 0.00 177.57 178.53 2qex h ALA 135 N 0.96 0.90 -0.56 1.67 0.00 -1.99 -0.91 119.26 119.32 2qex h ALA 135 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qex h ALA 135 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2qex h ALA 135 CO -0.00 0.18 0.29 0.22 0.00 0.00 0.00 179.25 179.94 2qex h ASP 136 N 0.82 0.69 0.33 0.00 3.58 -1.93 -1.12 116.42 118.78 2qex h ASP 136 Ca 0.28 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.66 2qex h ASP 136 Cb 0.04 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2qex h ASP 136 CO -0.12 0.57 -0.16 0.25 -2.88 0.00 0.00 179.24 176.90 2qex h LEU 137 N 0.78 -0.37 -0.88 2.28 5.85 -0.76 -1.60 115.31 120.60 2qex h LEU 137 Ca 0.20 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.91 2qex h LEU 137 Cb 0.04 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 2qex h LEU 137 CO -0.03 -0.12 0.52 -0.33 -0.34 0.00 0.00 178.44 178.14 2qex h GLU 138 N -0.62 0.86 0.27 1.25 5.08 -0.94 0.86 114.58 121.34 2qex h GLU 138 Ca -0.05 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2qex h GLU 138 Cb 0.45 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2qex h GLU 138 CO 0.07 0.57 -0.16 0.00 -1.00 0.00 0.00 179.01 178.49 2qex h ARG 139 N 0.88 -0.40 -0.78 2.33 3.08 -1.04 -2.00 114.38 116.45 2qex h ARG 139 Ca 0.42 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.54 2qex h ARG 139 Cb 0.35 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2qex h ARG 139 CO -0.24 -0.27 0.49 -0.92 -1.07 0.00 0.00 179.97 177.96 2qex h TYR 140 N -0.42 0.91 -0.86 3.04 3.20 -0.69 -1.92 116.97 120.23 2qex h TYR 140 Ca -0.03 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.02 2qex h TYR 140 Cb 0.35 -0.30 -0.09 0.00 1.54 0.00 0.00 36.73 38.23 2qex h TYR 140 CO -0.09 0.50 0.44 0.82 -1.64 0.00 0.00 178.16 178.19 2qex h ILE 141 N 0.93 0.72 0.00 1.81 2.04 -0.37 -2.11 117.51 120.53 2qex h ILE 141 Ca 0.32 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.83 2qex h ILE 141 Cb 0.07 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.14 2qex h ILE 141 CO -0.14 0.11 -0.17 0.47 0.00 0.00 0.00 178.15 178.43 2qex n ASP 142 N -4.87 3.96 0.00 1.72 8.00 -0.72 -5.10 116.55 119.55 2qex n ASP 142 Ca 0.17 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.43 2qex n ASP 142 Cb 0.44 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 2qex n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81