#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex h SER 2 N 0.00 0.00 -5.61 2.55 4.64 -2.05 -3.46 113.55 109.62 2qex h SER 2 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2qex h SER 2 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2qex h SER 2 CO 0.00 0.00 -0.37 -0.94 -0.87 0.00 0.00 176.83 174.65 2qex s SER 3 N -5.58 0.82 -0.19 4.97 1.04 -1.26 -5.10 113.70 108.39 2qex s SER 3 Ca 0.06 -1.47 0.19 0.00 0.48 0.00 0.00 55.95 55.21 2qex s SER 3 Cb 0.08 0.55 0.47 0.00 0.10 0.00 0.00 66.02 67.22 2qex s SER 3 CO 0.60 -1.10 1.16 -3.20 0.98 0.00 0.00 173.24 171.68 2qex n ASN 4 N -1.04 2.12 -4.90 7.02 5.15 -1.26 -5.01 115.26 117.34 2qex n ASN 4 Ca 0.03 -2.60 -0.29 0.00 -0.60 0.00 0.00 54.58 51.12 2qex n ASN 4 Cb 0.63 -0.41 0.05 0.00 -0.53 0.00 0.00 39.78 39.51 2qex n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 2qex s GLY 5 N -3.23 1.62 0.36 8.20 0.00 -1.26 -4.99 107.32 108.02 2qex s GLY 5 Ca 0.35 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.59 2qex s GLY 5 CO -0.06 -0.15 2.00 -2.55 0.00 0.00 0.00 173.10 172.34 2qex h PRO 6 N -0.53 0.77 -0.88 2.90 0.11 -2.05 -2.73 132.00 129.60 2qex h PRO 6 Ca -0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2qex h PRO 6 Cb 1.26 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qex h PRO 6 CO 0.63 0.53 0.01 1.28 -0.21 0.00 0.00 178.00 180.24 2qex n LEU 7 N -4.43 2.57 -4.72 2.35 4.77 -1.26 -4.75 117.00 111.53 2qex n LEU 7 Ca 0.06 -1.30 -0.42 0.00 -0.03 0.00 0.00 56.01 54.32 2qex n LEU 7 Cb 0.06 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 2qex n LEU 7 CO 0.36 0.38 0.92 -0.70 -1.33 0.00 0.00 177.39 177.02 2qex s GLU 8 N -1.53 4.43 -1.60 3.23 -6.30 -1.03 -3.23 118.70 112.68 2qex s GLU 8 Ca 0.17 1.86 -0.01 0.00 -2.50 0.00 0.00 54.97 54.49 2qex s GLU 8 Cb 0.13 -3.30 0.00 0.00 0.00 0.00 0.00 34.13 30.97 2qex s GLU 8 CO 0.05 -0.24 0.13 0.41 0.02 0.00 0.00 175.26 175.64 2qex n GLY 9 N 2.95 -0.50 0.76 -1.50 0.00 -1.26 -4.87 105.19 100.78 2qex n GLY 9 Ca 0.08 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.19 2qex n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qex n THR 10 N -3.99 1.27 -0.20 2.61 -2.24 -1.20 -4.68 114.28 105.84 2qex n THR 10 Ca -0.20 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.42 2qex n THR 10 Cb 0.66 0.35 0.11 0.00 -2.10 0.00 0.00 70.33 69.34 2qex n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2qex h ARG 11 N 2.20 0.35 -0.01 -0.78 2.43 -1.89 -1.59 114.38 115.09 2qex h ARG 11 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2qex h ARG 11 Cb 0.90 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2qex h ARG 11 CO 0.05 0.23 -0.08 0.78 -1.51 0.00 0.00 179.97 179.44 2qex h GLY 12 N 0.36 0.07 2.00 2.80 0.00 -1.94 -3.29 103.07 103.07 2qex h GLY 12 Ca 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.53 2qex h GLY 12 CO -0.33 0.10 0.00 0.07 0.00 0.00 0.00 176.54 176.38 2qex h LYS 13 N -0.63 0.00 -0.36 4.80 2.10 -1.86 -3.21 116.57 117.41 2qex h LYS 13 Ca -0.01 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.53 2qex h LYS 13 Cb 0.80 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.07 2qex h LYS 13 CO 0.02 0.00 0.02 1.28 -2.00 0.00 0.00 179.45 178.77 2qex n LEU 14 N -2.93 4.25 -4.21 7.07 4.77 -0.60 -4.90 117.00 120.44 2qex n LEU 14 Ca 0.02 -3.36 -0.29 0.00 -0.03 0.00 0.00 56.01 52.35 2qex n LEU 14 Cb 0.36 -0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 40.68 2qex n LEU 14 CO 0.28 0.93 -0.54 -0.75 -1.33 0.00 0.00 177.39 175.98 2qex s LYS 15 N -3.03 2.17 0.39 3.23 2.20 -1.21 -4.75 119.74 118.73 2qex s LYS 15 Ca 0.45 -0.77 -0.23 0.00 -0.36 0.00 0.00 55.97 55.05 2qex s LYS 15 Cb 0.38 -1.87 -0.10 0.00 -1.51 0.00 0.00 37.83 34.73 2qex s LYS 15 CO 0.06 0.33 0.97 -0.80 -0.36 0.00 0.00 175.35 175.54 2qex s ASN 16 N -0.09 7.04 0.38 1.43 0.02 -1.26 -4.95 114.94 117.50 2qex s ASN 16 Ca -0.03 1.81 -0.25 0.00 -1.02 0.00 0.00 52.86 53.37 2qex s ASN 16 Cb -0.12 -2.56 -0.09 0.00 0.02 0.00 0.00 41.25 38.49 2qex s ASN 16 CO 0.03 -0.28 1.05 -0.75 0.02 0.00 0.00 177.10 177.16 2qex s LYS 17 N -2.65 4.25 0.23 -0.60 2.47 -1.26 -4.91 119.74 117.28 2qex s LYS 17 Ca 0.57 1.53 -0.15 0.00 -1.56 0.00 0.00 55.97 56.36 2qex s LYS 17 Cb -0.15 -2.64 0.27 0.00 -1.46 0.00 0.00 37.83 33.86 2qex s LYS 17 CO 0.19 -0.07 1.47 -2.30 0.16 0.00 0.00 175.35 174.81 2qex n PRO 18 N 0.13 -0.19 0.04 4.03 -0.02 -1.26 -1.17 135.00 136.56 2qex n PRO 18 Ca 0.04 1.46 0.07 0.00 -2.02 0.00 0.00 63.50 63.05 2qex n PRO 18 Cb 0.49 -2.18 0.30 0.00 -0.02 0.00 0.00 33.50 32.09 2qex n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qex n ARG 19 N -5.43 0.05 -0.16 -0.52 1.74 -1.26 -1.79 116.66 109.29 2qex n ARG 19 Ca 0.11 0.39 0.09 0.00 -0.77 0.00 0.00 57.85 57.68 2qex n ARG 19 Cb 0.40 -1.63 0.18 0.00 -1.02 0.00 0.00 32.46 30.39 2qex n ARG 19 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2qex n ASP 20 N -1.73 3.11 -4.42 0.55 10.43 -0.31 -5.01 116.55 119.16 2qex n ASP 20 Ca 0.02 -1.90 -0.31 0.00 2.57 0.00 0.00 54.79 55.17 2qex n ASP 20 Cb 0.12 -0.21 0.19 0.00 1.84 0.00 0.00 41.12 43.06 2qex n ASP 20 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 2qex n ARG 21 N 1.15 -1.41 0.00 -1.24 0.63 -0.74 -4.87 116.66 110.18 2qex n ARG 21 Ca 0.16 -0.38 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 2qex n ARG 21 Cb 0.51 -1.96 0.00 0.00 0.45 0.00 0.00 32.46 31.46 2qex n ARG 21 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qex n GLY 22 N 1.39 -1.42 3.71 5.14 0.00 -1.26 -4.94 105.19 107.81 2qex n GLY 22 Ca 0.04 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 2qex n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qex n THR 23 N -1.41 3.89 -3.82 2.61 -1.04 -1.26 -4.79 114.28 108.46 2qex n THR 23 Ca 0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 2qex n THR 23 Cb 0.00 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 66.97 2qex n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2qex s SER 24 N -1.03 6.34 0.22 8.00 0.01 -1.26 -5.07 113.70 120.91 2qex s SER 24 Ca 0.73 0.24 -0.32 0.00 1.31 0.00 0.00 55.95 57.92 2qex s SER 24 Cb -0.42 -1.94 -0.12 0.00 0.21 0.00 0.00 66.02 63.75 2qex s SER 24 CO 0.48 -0.04 1.69 -2.84 0.41 0.00 0.00 173.24 172.94 2qex s PRO 25 N -3.56 4.13 0.62 12.44 0.02 -1.26 -4.92 135.00 142.46 2qex s PRO 25 Ca 0.36 2.58 0.38 0.00 0.02 0.00 0.00 61.00 64.35 2qex s PRO 25 Cb -0.10 -3.07 2.02 0.00 0.02 0.00 0.00 34.50 33.36 2qex s PRO 25 CO 0.30 -0.72 2.25 -1.35 -0.33 0.00 0.00 177.00 177.14 2qex h PRO 26 N 6.50 0.00 -0.39 5.54 0.11 -2.00 -3.27 132.00 138.49 2qex h PRO 26 Ca -0.44 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.76 2qex h PRO 26 Cb 1.20 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 2qex h PRO 26 CO 0.93 0.02 -0.22 0.37 -0.21 0.00 0.00 178.00 178.89 2qex h GLN 27 N 0.00 -0.15 0.00 1.05 5.75 -1.99 -2.03 115.11 117.74 2qex h GLN 27 Ca -0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2qex h GLN 27 Cb 0.15 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2qex h GLN 27 CO 0.00 -0.10 0.00 0.07 -2.65 0.00 0.00 178.83 176.15 2qex h ARG 28 N -0.15 0.00 0.00 1.69 0.11 -1.94 -2.99 114.38 111.10 2qex h ARG 28 Ca 0.19 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.27 2qex h ARG 28 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 2qex h ARG 28 CO -0.48 0.00 -0.05 0.00 0.10 0.00 0.00 179.97 179.54 2qex h ALA 29 N 2.26 0.97 -0.01 0.08 0.00 -1.54 -3.27 119.26 117.75 2qex h ALA 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qex h ALA 29 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2qex h ALA 29 CO 0.00 0.00 -0.00 0.28 0.00 0.00 0.00 179.25 179.53 2qex n VAL 30 N -2.66 0.00 -1.21 0.00 0.31 -1.01 -4.40 118.33 109.35 2qex n VAL 30 Ca 0.05 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.51 2qex n VAL 30 Cb 0.48 1.22 0.06 0.00 -0.91 0.00 0.00 33.84 34.68 2qex n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qex n GLU 31 N 0.58 0.19 -5.19 5.55 4.07 -1.14 -5.01 120.64 119.69 2qex n GLU 31 Ca 0.06 0.09 -0.31 0.00 -0.06 0.00 0.00 57.16 56.94 2qex n GLU 31 Cb 0.26 -1.56 -0.16 0.00 -0.06 0.00 0.00 31.44 29.91 2qex n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2qex s GLU 32 N -2.34 2.48 0.18 5.31 0.41 -1.26 -4.88 118.70 118.59 2qex s GLU 32 Ca 0.60 -0.85 0.10 0.00 -0.41 0.00 0.00 54.97 54.41 2qex s GLU 32 Cb -0.35 -2.08 -0.04 0.00 -1.78 0.00 0.00 34.13 29.88 2qex s GLU 32 CO 0.63 0.33 -0.22 -0.06 -0.49 0.00 0.00 175.26 175.45 2qex s PHE 33 N -0.07 2.13 0.22 1.61 0.40 -1.26 -5.15 117.98 115.86 2qex s PHE 33 Ca -0.05 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 55.95 2qex s PHE 33 Cb -0.14 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 2qex s PHE 33 CO 0.04 0.42 0.14 -0.51 0.70 0.00 0.00 175.22 176.01 2qex s ASP 34 N -2.58 5.36 0.71 1.36 1.01 -1.26 -5.06 116.67 116.21 2qex s ASP 34 Ca 0.18 -0.26 -0.16 0.00 0.71 0.00 0.00 52.55 53.01 2qex s ASP 34 Cb -0.08 -1.33 0.02 0.00 1.01 0.00 0.00 42.92 42.55 2qex s ASP 34 CO 0.08 0.01 1.19 0.47 0.21 0.00 0.00 175.17 177.14 2qex n ASP 35 N -0.79 1.40 0.00 0.27 9.92 -1.26 -2.07 116.55 124.02 2qex n ASP 35 Ca -0.08 0.72 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 2qex n ASP 35 Cb 0.57 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 39.54 2qex n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qex n GLY 36 N 0.86 2.44 3.76 0.44 0.00 0.25 -4.92 105.19 108.01 2qex n GLY 36 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2qex n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qex s GLU 37 N 0.00 4.58 -0.13 1.61 2.02 -0.88 -4.70 118.70 121.20 2qex s GLU 37 Ca 0.00 1.87 -0.23 0.00 0.02 0.00 0.00 54.97 56.63 2qex s GLU 37 Cb 0.00 -3.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 2qex s GLU 37 CO 0.00 0.12 0.69 0.15 0.02 0.00 0.00 175.26 176.24 2qex s LYS 38 N -1.33 4.33 0.05 1.61 -0.14 -1.26 -0.52 119.74 122.48 2qex s LYS 38 Ca 0.46 0.80 0.04 0.00 -1.36 0.00 0.00 55.97 55.90 2qex s LYS 38 Cb -0.33 -3.51 -0.02 0.00 -1.68 0.00 0.00 37.83 32.28 2qex s LYS 38 CO 0.42 -0.10 -0.11 0.14 -0.76 0.00 0.00 175.35 174.94 2qex s VAL 39 N 1.40 0.82 -0.06 3.17 -7.23 -1.04 -1.75 120.40 115.70 2qex s VAL 39 Ca 0.34 -1.09 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 2qex s VAL 39 Cb -0.17 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.91 2qex s VAL 39 CO 0.14 -0.24 0.37 -1.00 -0.31 0.00 0.00 175.10 174.06 2qex s HIS 40 N -1.18 3.64 -0.20 2.82 3.76 0.49 -1.21 115.29 123.41 2qex s HIS 40 Ca -0.05 0.86 -0.12 0.00 -0.15 0.00 0.00 55.06 55.61 2qex s HIS 40 Cb -0.09 -2.30 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 2qex s HIS 40 CO 0.01 0.51 0.21 -0.51 -0.85 0.00 0.00 174.74 174.11 2qex s LEU 41 N -0.55 4.20 -0.30 0.89 1.02 -0.87 -2.44 118.68 120.64 2qex s LEU 41 Ca 0.22 0.32 -0.12 0.00 0.02 0.00 0.00 54.13 54.57 2qex s LEU 41 Cb -0.15 -2.22 0.14 0.00 0.02 0.00 0.00 46.19 43.98 2qex s LEU 41 CO 0.10 0.11 0.78 -0.75 0.02 0.00 0.00 176.35 176.61 2qex s LYS 42 N 0.62 0.47 0.33 1.70 2.47 -0.93 -1.12 119.74 123.28 2qex s LYS 42 Ca 0.12 1.17 -0.28 0.00 -1.56 0.00 0.00 55.97 55.42 2qex s LYS 42 Cb -0.12 0.69 -0.10 0.00 -1.46 0.00 0.00 37.83 36.84 2qex s LYS 42 CO 0.02 -0.16 1.20 0.42 0.16 0.00 0.00 175.35 176.99 2qex s ILE 43 N 2.69 3.10 -0.38 5.43 1.01 -1.26 -4.41 121.20 127.38 2qex s ILE 43 Ca -0.05 1.07 -0.15 0.00 0.00 0.00 0.00 60.65 61.51 2qex s ILE 43 Cb -0.10 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2qex s ILE 43 CO -0.18 0.22 0.36 -0.62 0.00 0.00 0.00 174.94 174.71 2qex s ASP 44 N -0.79 6.15 0.38 3.58 -1.08 -1.26 -4.97 116.67 118.68 2qex s ASP 44 Ca 0.49 -0.52 0.17 0.00 -0.52 0.00 0.00 52.55 52.17 2qex s ASP 44 Cb -0.35 -2.19 1.07 0.00 -1.46 0.00 0.00 42.92 40.00 2qex s ASP 44 CO 0.45 -0.42 1.74 -0.65 0.52 0.00 0.00 175.17 176.81 2qex h PRO 45 N 8.58 0.40 0.00 4.34 0.11 -1.91 -1.32 132.00 142.20 2qex h PRO 45 Ca -0.28 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 2qex h PRO 45 Cb 1.13 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2qex h PRO 45 CO 0.72 0.26 -0.39 0.77 -0.21 0.00 0.00 178.00 179.15 2qex h SER 46 N 0.41 0.00 -3.62 -2.05 0.02 -1.93 -3.42 113.55 102.96 2qex h SER 46 Ca 0.64 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.93 2qex h SER 46 Cb 1.54 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.92 2qex h SER 46 CO -0.38 0.39 -0.16 -0.69 -1.14 0.00 0.00 176.83 174.85 2qex s VAL 47 N -3.60 5.08 0.13 2.27 1.01 -0.50 -4.90 120.40 119.90 2qex s VAL 47 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2qex s VAL 47 Cb 0.11 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 2qex s VAL 47 CO 0.69 -0.21 1.38 -0.65 0.00 0.00 0.00 175.10 176.32 2qex h PRO 48 N 8.51 0.76 -6.40 2.72 0.11 -1.82 -3.43 132.00 132.45 2qex h PRO 48 Ca -0.28 -0.54 -0.44 0.00 0.11 0.00 0.00 66.00 64.84 2qex h PRO 48 Cb 1.13 0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2qex h PRO 48 CO 0.75 1.17 -0.29 -0.80 -0.21 0.00 0.00 178.00 178.61 2qex s ASN 49 N -7.01 5.94 -0.20 -2.05 0.01 -1.26 -4.54 114.94 105.83 2qex s ASN 49 Ca -0.10 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 2qex s ASN 49 Cb 0.10 -1.29 0.00 0.00 0.41 0.00 0.00 41.25 40.46 2qex s ASN 49 CO 0.89 -0.49 0.00 0.61 -1.51 0.00 0.00 177.10 176.60 2qex n GLY 50 N -1.73 0.54 3.86 0.66 0.00 -1.26 -4.91 105.19 102.36 2qex n GLY 50 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 2qex n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qex s ARG 51 N -1.53 3.74 0.49 1.61 0.52 -1.26 -2.55 118.95 119.97 2qex s ARG 51 Ca 0.00 0.76 0.05 0.00 -0.52 0.00 0.00 55.73 56.01 2qex s ARG 51 Cb 0.00 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.31 2qex s ARG 51 CO 0.00 -0.39 0.18 -0.59 0.02 0.00 0.00 175.30 174.52 2qex s PHE 52 N -2.87 2.04 0.10 -0.53 -0.12 -1.26 -4.88 117.98 110.45 2qex s PHE 52 Ca 0.55 -0.80 -0.31 0.00 -0.05 0.00 0.00 56.93 56.33 2qex s PHE 52 Cb -0.10 -1.82 -0.08 0.00 -0.63 0.00 0.00 43.02 40.39 2qex s PHE 52 CO 0.43 0.01 1.43 -1.58 -0.05 0.00 0.00 175.22 175.46 2qex s HIS 53 N -2.76 3.10 0.60 3.49 5.65 -1.26 -4.89 115.29 119.23 2qex s HIS 53 Ca 0.26 0.85 0.28 0.00 0.25 0.00 0.00 55.06 56.70 2qex s HIS 53 Cb 0.02 -3.72 1.23 0.00 -1.18 0.00 0.00 32.58 28.93 2qex s HIS 53 CO 0.15 -2.60 1.64 -1.35 -0.65 0.00 0.00 174.74 171.93 2qex h PRO 54 N 7.09 0.00 -0.25 2.88 0.11 -1.98 -1.20 132.00 138.64 2qex h PRO 54 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 2qex h PRO 54 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2qex h PRO 54 CO 0.88 0.00 0.09 0.00 -0.21 0.00 0.00 178.00 178.76 2qex h ARG 55 N 0.00 0.35 0.00 1.05 3.08 -1.91 -2.37 114.38 114.58 2qex h ARG 55 Ca 0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2qex h ARG 55 Cb 1.89 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.87 2qex h ARG 55 CO -0.00 0.30 0.00 1.19 -1.07 0.00 0.00 179.97 180.39 2qex n PHE 56 N -4.42 0.00 -1.67 3.04 3.72 -0.45 -4.86 117.46 112.81 2qex n PHE 56 Ca 0.01 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 2qex n PHE 56 Cb 0.13 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.25 2qex n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2qex n ASP 57 N -1.39 2.90 0.00 4.37 2.03 -0.89 -2.08 116.55 121.49 2qex n ASP 57 Ca 0.09 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.52 2qex n ASP 57 Cb 0.25 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.22 2qex n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qex n GLY 58 N 2.70 0.46 3.66 0.27 0.00 -0.27 -5.02 105.19 106.98 2qex n GLY 58 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2qex n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qex s GLN 59 N -0.86 -0.58 -0.36 1.61 -1.52 -0.88 -4.82 119.66 112.24 2qex s GLN 59 Ca 0.00 0.00 0.02 0.00 -1.95 0.00 0.00 55.36 53.43 2qex s GLN 59 Cb 0.00 -1.67 0.15 0.00 -0.22 0.00 0.00 33.01 31.27 2qex s GLN 59 CO 0.00 -3.30 0.31 0.99 -0.25 0.00 0.00 175.29 173.05 2qex s THR 60 N -3.13 -0.15 0.00 -0.19 2.01 -1.26 -2.04 115.64 110.88 2qex s THR 60 Ca 0.70 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 61.42 2qex s THR 60 Cb -0.11 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.57 2qex s THR 60 CO 0.56 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 2qex n GLY 61 N 4.15 0.28 2.77 4.40 0.00 -0.35 -4.83 105.19 111.61 2qex n GLY 61 Ca 0.12 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 2qex n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qex s THR 62 N 0.56 0.27 0.11 2.61 2.01 -0.87 -2.49 115.64 117.84 2qex s THR 62 Ca 0.00 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.84 2qex s THR 62 Cb 0.00 -0.42 -0.09 0.00 0.01 0.00 0.00 72.50 72.00 2qex s THR 62 CO 0.00 0.22 1.59 -0.69 -0.69 0.00 0.00 174.62 175.05 2qex s VAL 63 N 1.75 2.91 -0.35 3.82 1.01 0.32 -1.24 120.40 128.62 2qex s VAL 63 Ca 0.01 0.53 0.14 0.00 0.00 0.00 0.00 61.98 62.66 2qex s VAL 63 Cb -0.13 -3.34 0.45 0.00 0.00 0.00 0.00 36.38 33.37 2qex s VAL 63 CO -0.04 0.02 1.03 -0.62 0.00 0.00 0.00 175.10 175.49 2qex n GLU 64 N 4.78 2.08 0.00 2.72 -0.58 0.26 0.85 120.64 130.75 2qex n GLU 64 Ca 0.15 -3.73 0.00 0.00 -0.42 0.00 0.00 57.16 53.15 2qex n GLU 64 Cb 0.40 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2qex n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qex n GLY 65 N -0.29 -1.80 3.19 0.62 0.00 -1.25 -4.84 105.19 100.81 2qex n GLY 65 Ca 0.21 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 2qex n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qex s LYS 66 N -0.48 0.80 -0.42 1.61 -2.85 -1.26 -1.25 119.74 115.89 2qex s LYS 66 Ca 0.00 -0.98 0.02 0.00 -1.00 0.00 0.00 55.97 54.01 2qex s LYS 66 Cb 0.00 0.32 0.12 0.00 -2.06 0.00 0.00 37.83 36.22 2qex s LYS 66 CO 0.00 -0.24 0.20 -1.14 0.10 0.00 0.00 175.35 174.27 2qex s GLN 67 N -3.82 1.35 3.48 1.78 0.74 -0.94 -4.88 119.66 117.37 2qex s GLN 67 Ca 0.05 -1.96 0.00 0.00 0.05 0.00 0.00 55.36 53.50 2qex s GLN 67 Cb 0.05 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.58 2qex s GLN 67 CO -0.11 -1.10 0.00 0.41 -0.55 0.00 0.00 175.29 173.95 2qex n GLY 68 N 3.75 -0.03 0.20 2.59 0.00 -1.26 -3.25 105.19 107.19 2qex n GLY 68 Ca 0.06 -1.02 0.07 0.00 0.00 0.00 0.00 46.02 45.12 2qex n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qex h ASP 69 N 8.46 0.00 -4.17 1.61 3.32 -2.00 -3.45 116.42 120.20 2qex h ASP 69 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2qex h ASP 69 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 2qex h ASP 69 CO 0.00 0.33 0.29 0.00 -1.72 0.00 0.00 179.24 178.14 2qex s ALA 70 N -3.59 1.84 0.16 3.45 0.00 -1.20 -4.82 121.76 117.59 2qex s ALA 70 Ca 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 51.96 51.90 2qex s ALA 70 Cb 0.11 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2qex s ALA 70 CO 0.67 -2.10 -0.10 0.71 0.00 0.00 0.00 175.76 174.94 2qex s TYR 71 N -3.04 2.64 -0.39 0.00 1.51 0.29 -2.22 117.35 116.14 2qex s TYR 71 Ca 0.62 -0.21 -0.09 0.00 -1.01 0.00 0.00 57.07 56.38 2qex s TYR 71 Cb -0.16 -1.32 0.05 0.00 -0.11 0.00 0.00 41.96 40.42 2qex s TYR 71 CO 0.56 0.48 0.21 0.15 -1.11 0.00 0.00 175.55 175.84 2qex s LYS 72 N -2.64 2.67 -0.17 -0.62 1.02 -0.38 -1.31 119.74 118.32 2qex s LYS 72 Ca 0.23 -1.29 -0.03 0.00 0.02 0.00 0.00 55.97 54.91 2qex s LYS 72 Cb -0.09 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2qex s LYS 72 CO 0.14 -0.82 -0.06 0.08 -0.92 0.00 0.00 175.35 173.78 2qex s VAL 73 N 1.46 3.52 0.06 3.17 1.01 -0.41 -0.58 120.40 128.62 2qex s VAL 73 Ca 0.02 -0.48 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 2qex s VAL 73 Cb -0.21 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 2qex s VAL 73 CO 0.04 0.48 0.67 -1.81 0.00 0.00 0.00 175.10 174.47 2qex s ASP 74 N 0.73 7.14 0.24 3.32 1.11 -0.37 -0.87 116.67 127.97 2qex s ASP 74 Ca -0.03 1.35 -0.02 0.00 0.18 0.00 0.00 52.55 54.03 2qex s ASP 74 Cb -0.15 -2.42 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 2qex s ASP 74 CO 0.02 0.14 0.25 0.27 1.18 0.00 0.00 175.17 177.03 2qex s ILE 75 N -0.56 0.00 -0.29 0.77 -4.36 -0.22 -2.06 121.20 114.48 2qex s ILE 75 Ca 0.33 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.88 2qex s ILE 75 Cb -0.20 -2.45 0.09 0.00 1.25 0.00 0.00 42.46 41.14 2qex s ILE 75 CO 0.21 0.00 0.04 -0.69 0.24 0.00 0.00 174.94 174.74 2qex s VAL 76 N -3.94 1.38 -0.47 8.37 1.01 -1.26 -0.75 120.40 124.73 2qex s VAL 76 Ca 0.35 -1.55 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 2qex s VAL 76 Cb 0.04 -1.92 0.03 0.00 0.00 0.00 0.00 36.38 34.53 2qex s VAL 76 CO 0.14 -0.49 1.02 -0.62 0.00 0.00 0.00 175.10 175.16 2qex s ASP 77 N 1.39 6.56 0.25 3.32 2.15 0.17 -4.70 116.67 125.81 2qex s ASP 77 Ca 0.06 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.31 2qex s ASP 77 Cb -0.18 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2qex s ASP 77 CO -0.15 -1.15 0.00 0.61 -0.17 0.00 0.00 175.17 174.31 2qex n GLY 78 N 4.89 0.66 0.00 2.66 0.00 -1.26 -0.16 105.19 111.99 2qex n GLY 78 Ca 0.09 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.63 2qex n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 79 N 0.00 -0.32 3.54 -0.02 0.00 -1.26 -5.05 105.19 102.08 2qex n GLY 79 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2qex n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qex s LYS 80 N -0.18 3.52 0.34 1.61 2.20 0.78 -5.09 119.74 122.90 2qex s LYS 80 Ca 0.00 -0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 54.85 2qex s LYS 80 Cb 0.00 -2.89 -0.09 0.00 -1.51 0.00 0.00 37.83 33.34 2qex s LYS 80 CO 0.00 0.35 1.06 -1.21 -0.36 0.00 0.00 175.35 175.19 2qex s GLU 81 N 0.08 4.41 -0.00 4.03 2.02 -1.26 0.45 118.70 128.43 2qex s GLU 81 Ca 0.00 1.62 -0.10 0.00 0.02 0.00 0.00 54.97 56.51 2qex s GLU 81 Cb -0.13 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.25 2qex s GLU 81 CO 0.03 0.06 0.21 0.15 0.02 0.00 0.00 175.26 175.72 2qex s LYS 82 N -1.97 0.57 -0.20 1.61 1.02 0.07 -4.88 119.74 115.95 2qex s LYS 82 Ca 0.51 -0.33 -0.03 0.00 0.02 0.00 0.00 55.97 56.14 2qex s LYS 82 Cb -0.26 0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 37.29 2qex s LYS 82 CO 0.33 -0.15 -0.07 0.99 -0.92 0.00 0.00 175.35 175.53 2qex s THR 83 N -1.41 3.16 -0.17 2.17 2.01 -1.26 -1.05 115.64 119.08 2qex s THR 83 Ca -0.14 -0.57 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 2qex s THR 83 Cb -0.06 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2qex s THR 83 CO 0.02 0.45 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.76 2qex s ILE 84 N 1.33 4.00 -0.18 1.82 1.01 -0.05 -4.93 121.20 124.20 2qex s ILE 84 Ca 0.04 -0.31 -0.23 0.00 0.00 0.00 0.00 60.65 60.15 2qex s ILE 84 Cb -0.14 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 2qex s ILE 84 CO -0.04 0.48 0.71 -0.63 0.00 0.00 0.00 174.94 175.46 2qex s ILE 85 N 0.50 4.97 -0.19 2.92 -1.09 -1.26 -1.29 121.20 125.76 2qex s ILE 85 Ca -0.02 1.37 -0.25 0.00 -2.23 0.00 0.00 60.65 59.53 2qex s ILE 85 Cb -0.14 -4.02 0.06 0.00 -1.58 0.00 0.00 42.46 36.78 2qex s ILE 85 CO 0.02 0.09 0.65 0.54 -1.23 0.00 0.00 174.94 175.01 2qex s VAL 86 N 1.94 0.00 0.50 2.92 0.11 -0.42 -4.50 120.40 120.94 2qex s VAL 86 Ca 0.33 -0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 59.30 2qex s VAL 86 Cb -0.16 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2qex s VAL 86 CO 0.11 -0.01 0.82 0.42 -3.33 0.00 0.00 175.10 173.11 2qex s THR 87 N -0.12 4.88 0.53 5.04 -4.23 -1.06 -0.55 115.64 120.14 2qex s THR 87 Ca -0.03 0.29 0.37 0.00 -1.18 0.00 0.00 61.69 61.13 2qex s THR 87 Cb -0.03 -3.86 0.39 0.00 1.34 0.00 0.00 72.50 70.33 2qex s THR 87 CO 0.03 -0.88 2.24 0.00 -0.54 0.00 0.00 174.62 175.47 2qex h ALA 88 N 0.17 1.18 0.00 3.99 0.00 -1.84 -1.69 119.26 121.07 2qex h ALA 88 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qex h ALA 88 Cb 1.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qex h ALA 88 CO 0.62 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.90 2qex h ALA 89 N 1.98 1.43 -0.26 0.00 0.00 -1.77 -0.98 119.26 119.66 2qex h ALA 89 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2qex h ALA 89 Cb 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2qex h ALA 89 CO 0.00 0.00 -0.01 0.72 0.00 0.00 0.00 179.25 179.97 2qex n HIS 90 N -3.71 0.91 -4.26 0.00 -0.00 -0.64 -4.57 115.22 102.95 2qex n HIS 90 Ca -0.03 -1.04 -0.19 0.00 -0.00 0.00 0.00 57.72 56.46 2qex n HIS 90 Cb 0.08 -0.34 -0.11 0.00 -0.00 0.00 0.00 29.99 29.62 2qex n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2qex s LEU 91 N -2.93 2.42 -0.04 2.41 1.43 -0.37 -2.20 118.68 119.40 2qex s LEU 91 Ca 0.42 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2qex s LEU 91 Cb 0.35 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.98 2qex s LEU 91 CO 0.07 -0.13 0.11 -0.13 0.23 0.00 0.00 176.35 176.49 2qex s ARG 92 N -2.76 0.12 0.14 1.70 1.81 -1.02 -4.96 118.95 113.99 2qex s ARG 92 Ca 0.11 0.15 -0.31 0.00 -1.72 0.00 0.00 55.73 53.96 2qex s ARG 92 Cb -0.05 0.05 -0.08 0.00 -0.45 0.00 0.00 34.95 34.43 2qex s ARG 92 CO 0.04 -0.02 1.30 1.03 -0.68 0.00 0.00 175.30 176.97 2qex s ARG 93 N 0.08 4.38 0.59 3.54 0.52 -1.26 -0.38 118.95 126.42 2qex s ARG 93 Ca -0.00 1.98 -0.14 0.00 -0.52 0.00 0.00 55.73 57.05 2qex s ARG 93 Cb -0.01 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 2qex s ARG 93 CO 0.00 -0.30 1.03 -1.14 0.02 0.00 0.00 175.30 174.91 2qex s GLN 94 N 0.56 3.49 0.00 3.54 0.74 -0.72 -4.86 119.66 122.42 2qex s GLN 94 Ca 0.60 0.99 0.00 0.00 0.05 0.00 0.00 55.36 57.00 2qex s GLN 94 Cb -0.35 -2.07 0.00 0.00 1.10 0.00 0.00 33.01 31.70 2qex s GLN 94 CO 0.33 -0.65 0.00 0.39 -0.55 0.00 0.00 175.29 174.81