#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkf s MET 1 N 0.00 0.44 0.26 0.00 1.00 -1.26 -5.10 119.30 114.64 2bkf s MET 1 Ca 0.00 0.37 -0.31 0.00 0.00 0.00 0.00 55.69 55.75 2bkf s MET 1 Cb 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 34.83 34.92 2bkf s MET 1 CO 0.00 -0.09 1.58 0.39 0.00 0.00 0.00 175.02 176.90 2bkf n GLU 2 N 1.63 2.53 -1.57 2.03 1.02 -1.26 -4.97 120.64 120.05 2bkf n GLU 2 Ca -0.11 0.90 -0.30 0.00 -0.02 0.00 0.00 57.16 57.64 2bkf n GLU 2 Cb 0.57 -2.67 0.18 0.00 -0.02 0.00 0.00 31.44 29.50 2bkf n GLU 2 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bkf s PRO 3 N -0.08 0.27 0.18 3.49 0.04 -1.26 -4.44 135.00 133.21 2bkf s PRO 3 Ca 0.68 -0.09 -0.32 0.00 0.04 0.00 0.00 61.00 61.30 2bkf s PRO 3 Cb -0.54 -1.77 -0.15 0.00 0.04 0.00 0.00 34.50 32.07 2bkf s PRO 3 CO 0.45 -2.71 1.16 0.94 0.04 0.00 0.00 177.00 176.88 2bkf n GLN 4 N -4.05 1.22 -4.58 4.56 7.27 -1.18 -4.52 117.38 116.10 2bkf n GLN 4 Ca 0.12 0.43 -0.31 0.00 0.07 0.00 0.00 57.00 57.32 2bkf n GLN 4 Cb 0.59 -1.93 -0.12 0.00 2.41 0.00 0.00 30.24 31.19 2bkf n GLN 4 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2bkf s VAL 5 N -0.24 2.91 -0.23 1.69 0.11 -0.56 -4.85 120.40 119.23 2bkf s VAL 5 Ca 0.72 -1.18 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 2bkf s VAL 5 Cb -0.83 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.73 2bkf s VAL 5 CO 0.53 0.31 0.09 -0.89 -3.33 0.00 0.00 175.10 171.81 2bkf s THR 6 N -0.97 4.69 -0.34 5.04 2.01 -0.33 -0.68 115.64 125.06 2bkf s THR 6 Ca 0.16 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 2bkf s THR 6 Cb -0.11 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 2bkf s THR 6 CO 0.06 0.36 0.22 -0.76 -0.69 0.00 0.00 174.62 173.81 2bkf s LEU 7 N 1.24 4.44 -0.45 4.42 1.43 0.11 -1.12 118.68 128.74 2bkf s LEU 7 Ca 0.05 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.53 2bkf s LEU 7 Cb -0.14 -2.10 0.06 0.00 0.03 0.00 0.00 46.19 44.03 2bkf s LEU 7 CO 0.04 -0.23 0.35 0.20 0.23 0.00 0.00 176.35 176.94 2bkf s ASN 8 N 1.69 6.09 -0.24 2.29 0.01 -0.10 -0.27 114.94 124.41 2bkf s ASN 8 Ca 0.06 -1.22 -0.03 0.00 -0.71 0.00 0.00 52.86 50.96 2bkf s ASN 8 Cb -0.17 -2.16 0.01 0.00 0.41 0.00 0.00 41.25 39.33 2bkf s ASN 8 CO 0.09 -0.58 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.37 2bkf s VAL 9 N 1.63 3.22 -0.17 1.60 1.01 0.71 -0.33 120.40 128.07 2bkf s VAL 9 Ca 0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 2bkf s VAL 9 Cb -0.23 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 2bkf s VAL 9 CO 0.07 0.32 0.18 -0.89 0.00 0.00 0.00 175.10 174.78 2bkf s THR 10 N 1.42 5.39 -0.19 3.92 2.01 -0.10 -1.20 115.64 126.90 2bkf s THR 10 Ca 0.04 0.30 -0.01 0.00 0.31 0.00 0.00 61.69 62.32 2bkf s THR 10 Cb -0.15 -3.50 0.05 0.00 0.01 0.00 0.00 72.50 68.91 2bkf s THR 10 CO -0.03 0.47 -0.01 0.12 -0.69 0.00 0.00 174.62 174.48 2bkf s PHE 11 N 0.02 1.53 0.00 4.92 5.36 0.00 -0.38 117.98 129.43 2bkf s PHE 11 Ca 0.12 -1.12 0.00 0.00 -0.96 0.00 0.00 56.93 54.97 2bkf s PHE 11 Cb -0.12 -1.23 0.00 0.00 -0.34 0.00 0.00 43.02 41.33 2bkf s PHE 11 CO 0.01 -0.64 0.00 1.63 -1.46 0.00 0.00 175.22 174.76 2bkf n LYS 12 N 4.91 0.00 -0.66 10.12 5.02 -1.26 -1.14 118.16 135.15 2bkf n LYS 12 Ca -0.10 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.27 2bkf n LYS 12 Cb 0.47 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.81 2bkf n LYS 12 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2bkf n ASN 13 N 8.56 4.77 -4.64 4.39 4.13 -1.26 -4.93 115.26 126.28 2bkf n ASN 13 Ca 0.00 -2.96 -0.34 0.00 1.68 0.00 0.00 54.58 52.96 2bkf n ASN 13 Cb 0.00 -0.61 -0.10 0.00 -1.54 0.00 0.00 39.78 37.53 2bkf n ASN 13 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2bkf s GLU 14 N -2.77 2.84 -0.02 3.52 2.12 -0.29 -5.11 118.70 118.98 2bkf s GLU 14 Ca 0.48 -0.51 0.02 0.00 0.36 0.00 0.00 54.97 55.32 2bkf s GLU 14 Cb 0.38 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 32.09 2bkf s GLU 14 CO 0.13 0.67 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.94 2bkf s ILE 15 N -0.90 0.60 0.00 -3.70 2.07 -1.26 -0.82 121.20 117.19 2bkf s ILE 15 Ca 0.14 -0.28 0.05 0.00 -1.41 0.00 0.00 60.65 59.16 2bkf s ILE 15 Cb -0.11 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2bkf s ILE 15 CO 0.04 0.19 -0.17 -1.10 -1.91 0.00 0.00 174.94 171.99 2bkf s GLN 16 N 0.12 1.28 -0.17 3.50 -0.21 -0.34 -4.97 119.66 118.88 2bkf s GLN 16 Ca -0.01 -0.66 -0.06 0.00 0.02 0.00 0.00 55.36 54.64 2bkf s GLN 16 Cb -0.06 -1.27 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 2bkf s GLN 16 CO -0.00 0.34 0.04 -1.12 -2.12 0.00 0.00 175.29 172.43 2bkf s SER 17 N -0.60 5.44 -0.20 5.90 0.01 -1.26 -0.21 113.70 122.78 2bkf s SER 17 Ca 0.06 0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.33 2bkf s SER 17 Cb -0.07 -1.90 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 2bkf s SER 17 CO -0.00 0.19 -0.07 -0.36 0.41 0.00 0.00 173.24 173.40 2bkf s PHE 18 N 0.28 2.92 -0.33 2.43 0.40 0.63 -4.94 117.98 119.37 2bkf s PHE 18 Ca 0.02 -0.94 -0.21 0.00 -0.60 0.00 0.00 56.93 55.19 2bkf s PHE 18 Cb -0.13 -2.04 -0.00 0.00 0.51 0.00 0.00 43.02 41.37 2bkf s PHE 18 CO 0.01 -0.50 0.67 -0.51 0.70 0.00 0.00 175.22 175.59 2bkf s LEU 19 N 1.23 4.17 -0.35 -0.37 1.43 -1.26 -0.71 118.68 122.82 2bkf s LEU 19 Ca 0.03 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2bkf s LEU 19 Cb -0.14 -2.87 0.04 0.00 0.03 0.00 0.00 46.19 43.25 2bkf s LEU 19 CO -0.03 -0.57 0.14 -0.69 0.23 0.00 0.00 176.35 175.43 2bkf s VAL 20 N 2.76 3.97 0.19 -1.59 1.01 0.14 -5.00 120.40 121.89 2bkf s VAL 20 Ca 0.27 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 2bkf s VAL 20 Cb -0.14 -3.27 0.12 0.00 0.00 0.00 0.00 36.38 33.08 2bkf s VAL 20 CO 0.14 -0.23 1.74 0.28 0.00 0.00 0.00 175.10 177.03 2bkf h SER 21 N 8.28 1.00 -2.28 3.32 0.02 -1.94 -1.48 113.55 120.48 2bkf h SER 21 Ca -0.23 -0.20 -0.58 0.00 -0.84 0.00 0.00 61.79 59.94 2bkf h SER 21 Cb 1.09 -0.26 -0.39 0.00 0.14 0.00 0.00 62.40 62.98 2bkf h SER 21 CO 0.63 0.93 -0.98 -0.67 -1.14 0.00 0.00 176.83 175.60 2bkf n ASP 22 N -4.32 0.17 0.12 3.07 -0.08 -1.26 -3.13 116.55 111.12 2bkf n ASP 22 Ca 0.05 -2.59 0.10 0.00 -1.51 0.00 0.00 54.79 50.85 2bkf n ASP 22 Cb 0.21 -0.60 0.60 0.00 2.34 0.00 0.00 41.12 43.66 2bkf n ASP 22 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2bkf h PRO 23 N 4.99 0.14 0.00 -0.67 0.13 -1.78 0.27 132.00 135.07 2bkf h PRO 23 Ca 0.19 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2bkf h PRO 23 Cb 0.88 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 2bkf h PRO 23 CO 0.45 0.09 -0.01 0.93 -0.23 0.00 0.00 178.00 179.23 2bkf h GLU 24 N 0.14 0.00 -0.90 0.86 5.08 -1.93 -2.06 114.58 115.76 2bkf h GLU 24 Ca 0.11 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.09 2bkf h GLU 24 Cb 0.26 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.29 2bkf h GLU 24 CO -0.02 0.01 0.48 -1.71 -1.00 0.00 0.00 179.01 176.78 2bkf n ASN 25 N -3.16 4.17 -4.29 1.42 5.15 0.94 -4.94 115.26 114.55 2bkf n ASN 25 Ca -0.02 -3.40 -0.18 0.00 -0.60 0.00 0.00 54.58 50.39 2bkf n ASN 25 Cb 0.15 -0.79 -0.11 0.00 -0.53 0.00 0.00 39.78 38.50 2bkf n ASN 25 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2bkf s THR 26 N -3.07 1.51 0.13 -0.44 -4.23 -0.78 -5.00 115.64 103.77 2bkf s THR 26 Ca 0.54 -1.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 2bkf s THR 26 Cb 0.45 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 2bkf s THR 26 CO 0.12 -0.53 -0.06 0.42 -0.54 0.00 0.00 174.62 174.03 2bkf s THR 27 N -2.63 3.51 0.31 3.99 -4.23 -1.26 -5.02 115.64 110.31 2bkf s THR 27 Ca 0.16 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 2bkf s THR 27 Cb -0.02 -2.69 0.28 0.00 1.34 0.00 0.00 72.50 71.41 2bkf s THR 27 CO 0.04 0.02 1.91 -0.25 -0.54 0.00 0.00 174.62 175.80 2bkf h TRP 28 N 3.23 1.01 -0.94 3.99 -0.00 -1.90 -1.72 115.95 119.62 2bkf h TRP 28 Ca -0.48 0.03 0.08 0.00 -0.00 0.00 0.00 58.89 58.52 2bkf h TRP 28 Cb 1.18 -0.33 -0.07 0.00 -0.00 0.00 0.00 29.16 29.94 2bkf h TRP 28 CO 0.62 0.52 0.59 0.00 -0.00 0.00 0.00 178.44 180.17 2bkf h ALA 29 N 1.53 1.34 -0.50 2.65 0.00 -1.95 0.13 119.26 122.45 2bkf h ALA 29 Ca 0.38 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 2bkf h ALA 29 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2bkf h ALA 29 CO -0.15 0.31 0.04 -0.44 0.00 0.00 0.00 179.25 179.02 2bkf h ASP 30 N 1.04 0.82 0.01 0.00 3.32 -1.74 -1.09 116.42 118.78 2bkf h ASP 30 Ca 0.43 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2bkf h ASP 30 Cb 0.26 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2bkf h ASP 30 CO -0.20 0.90 -0.00 0.40 -1.72 0.00 0.00 179.24 178.62 2bkf h ILE 31 N 0.72 1.21 -0.76 0.35 1.08 -0.85 -1.27 117.51 117.99 2bkf h ILE 31 Ca 0.15 -0.66 0.11 0.00 -0.39 0.00 0.00 64.86 64.06 2bkf h ILE 31 Cb 0.45 1.66 -0.08 0.00 -3.07 0.00 0.00 36.82 35.79 2bkf h ILE 31 CO 0.02 0.17 0.38 -0.33 -0.69 0.00 0.00 178.15 177.70 2bkf h GLU 32 N -0.30 0.59 -0.78 2.37 5.08 -0.71 -1.43 114.58 119.41 2bkf h GLU 32 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2bkf h GLU 32 Cb 0.29 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2bkf h GLU 32 CO 0.00 0.39 0.32 0.00 -1.00 0.00 0.00 179.01 178.72 2bkf h ALA 33 N 1.48 1.09 -0.64 3.43 0.00 -1.03 -0.45 119.26 123.15 2bkf h ALA 33 Ca 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2bkf h ALA 33 Cb 0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2bkf h ALA 33 CO -0.31 0.65 0.29 0.52 0.00 0.00 0.00 179.25 180.41 2bkf h MET 34 N 1.13 0.92 -0.47 0.00 2.86 -0.32 -1.12 114.93 117.94 2bkf h MET 34 Ca 0.26 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2bkf h MET 34 Cb 0.20 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2bkf h MET 34 CO -0.02 0.75 -0.03 0.28 1.06 0.00 0.00 176.91 178.95 2bkf h VAL 35 N 0.88 1.27 -0.43 -2.22 2.07 -0.89 -1.45 116.25 115.47 2bkf h VAL 35 Ca 0.22 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.65 2bkf h VAL 35 Cb 0.14 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2bkf h VAL 35 CO -0.02 0.38 0.24 0.11 0.02 0.00 0.00 177.57 178.30 2bkf h LYS 36 N 0.69 0.48 -0.51 1.57 1.57 -0.91 -1.36 116.57 118.09 2bkf h LYS 36 Ca 0.13 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 2bkf h LYS 36 Cb 0.55 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2bkf h LYS 36 CO 0.03 0.31 -0.15 0.28 -0.57 0.00 0.00 179.45 179.36 2bkf h VAL 37 N 0.49 1.27 -0.06 0.50 2.07 -1.13 -0.30 116.25 119.09 2bkf h VAL 37 Ca 0.18 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2bkf h VAL 37 Cb 0.04 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2bkf h VAL 37 CO -0.09 0.46 0.01 0.28 0.02 0.00 0.00 177.57 178.25 2bkf h SER 38 N 0.87 0.09 -0.26 0.57 0.02 -0.98 -3.24 113.55 110.63 2bkf h SER 38 Ca 0.13 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2bkf h SER 38 Cb 0.72 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.23 2bkf h SER 38 CO 0.06 0.30 0.00 0.49 -1.14 0.00 0.00 176.83 176.54 2bkf n PHE 39 N -4.91 0.33 -3.46 3.45 3.01 -0.54 -4.97 117.46 110.36 2bkf n PHE 39 Ca -0.07 -0.16 -0.20 0.00 1.01 0.00 0.00 57.45 58.03 2bkf n PHE 39 Cb 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.68 2bkf n PHE 39 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2bkf n ASP 40 N 1.13 -4.23 -4.46 4.37 2.03 -0.22 -5.02 116.55 110.14 2bkf n ASP 40 Ca 0.18 -0.77 -0.29 0.00 0.52 0.00 0.00 54.79 54.43 2bkf n ASP 40 Cb 0.53 -4.63 -0.12 0.00 -0.72 0.00 0.00 41.12 36.18 2bkf n ASP 40 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2bkf s LEU 41 N -6.06 2.60 0.00 -2.67 1.43 -0.61 -5.05 118.68 108.33 2bkf s LEU 41 Ca 0.26 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2bkf s LEU 41 Cb -0.05 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.70 2bkf s LEU 41 CO 0.77 0.19 0.00 0.59 0.23 0.00 0.00 176.35 178.13 2bkf n ASN 42 N 0.89 0.00 -4.66 2.29 3.02 -1.26 -4.69 115.26 110.85 2bkf n ASN 42 Ca -0.16 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.02 2bkf n ASN 42 Cb 0.53 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 2bkf n ASN 42 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2bkf s THR 43 N -0.77 5.33 0.10 3.41 2.01 -1.26 -5.02 115.64 119.44 2bkf s THR 43 Ca 0.00 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.29 2bkf s THR 43 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2bkf s THR 43 CO 0.00 0.33 -0.09 0.27 -0.69 0.00 0.00 174.62 174.44 2bkf s ILE 44 N 1.11 0.83 -0.08 1.82 -4.36 -1.25 0.73 121.20 120.01 2bkf s ILE 44 Ca 0.09 -1.71 0.04 0.00 -0.26 0.00 0.00 60.65 58.81 2bkf s ILE 44 Cb -0.14 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.16 2bkf s ILE 44 CO 0.05 -0.66 -0.20 -1.58 0.24 0.00 0.00 174.94 172.79 2bkf s GLN 45 N -3.08 2.42 -0.13 0.37 2.00 -0.37 -4.83 119.66 116.04 2bkf s GLN 45 Ca 0.07 -0.71 -0.00 0.00 -2.00 0.00 0.00 55.36 52.71 2bkf s GLN 45 Cb -0.01 -1.92 -0.02 0.00 0.80 0.00 0.00 33.01 31.87 2bkf s GLN 45 CO -0.01 0.17 -0.12 0.42 -0.50 0.00 0.00 175.29 175.25 2bkf s ILE 46 N 0.32 3.14 0.20 -2.34 1.01 -1.26 -1.00 121.20 121.28 2bkf s ILE 46 Ca -0.14 -0.63 0.10 0.00 0.00 0.00 0.00 60.65 59.98 2bkf s ILE 46 Cb -0.16 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 2bkf s ILE 46 CO 0.06 0.52 -0.13 -0.54 0.00 0.00 0.00 174.94 174.85 2bkf s LYS 47 N 0.29 1.91 0.17 2.79 1.02 0.03 -0.72 119.74 125.23 2bkf s LYS 47 Ca -0.09 -1.39 0.06 0.00 0.02 0.00 0.00 55.97 54.57 2bkf s LYS 47 Cb -0.15 -2.05 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 2bkf s LYS 47 CO 0.05 0.41 -0.12 1.52 -0.92 0.00 0.00 175.35 176.29 2bkf s TYR 48 N -1.82 1.48 -0.39 3.18 -0.85 -0.09 -0.52 117.35 118.34 2bkf s TYR 48 Ca 0.25 -0.66 -0.26 0.00 -0.52 0.00 0.00 57.07 55.88 2bkf s TYR 48 Cb -0.08 -0.72 0.02 0.00 0.38 0.00 0.00 41.96 41.56 2bkf s TYR 48 CO 0.14 0.21 0.96 -1.17 -1.52 0.00 0.00 175.55 174.17 2bkf s LEU 49 N -3.18 3.96 0.00 -3.49 2.96 -0.76 -1.07 118.68 117.10 2bkf s LEU 49 Ca 0.19 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.60 2bkf s LEU 49 Cb 0.00 -3.30 0.07 0.00 0.50 0.00 0.00 46.19 43.47 2bkf s LEU 49 CO 0.04 -0.93 0.45 -0.90 -1.32 0.00 0.00 176.35 173.68 2bkf n ASP 50 N 6.95 0.43 0.21 3.68 5.68 -0.61 -4.76 116.55 128.12 2bkf n ASP 50 Ca 0.08 -1.40 0.05 0.00 -0.50 0.00 0.00 54.79 53.01 2bkf n ASP 50 Cb 0.48 -0.30 0.47 0.00 -1.14 0.00 0.00 41.12 40.63 2bkf n ASP 50 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2bkf h GLU 51 N 0.00 0.03 -0.13 0.11 5.08 -1.96 0.43 114.58 118.14 2bkf h GLU 51 Ca -0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2bkf h GLU 51 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2bkf h GLU 51 CO 0.14 0.22 0.00 0.39 -1.00 0.00 0.00 179.01 178.77 2bkf n GLU 52 N -4.29 1.17 -3.10 2.33 4.71 -1.26 -4.89 120.64 115.31 2bkf n GLU 52 Ca -0.02 -0.25 -0.22 0.00 -0.01 0.00 0.00 57.16 56.66 2bkf n GLU 52 Cb 0.26 -1.09 0.02 0.00 -1.01 0.00 0.00 31.44 29.63 2bkf n GLU 52 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2bkf n ASN 53 N -0.28 -5.40 -4.49 1.62 3.02 0.14 -4.99 115.26 104.88 2bkf n ASN 53 Ca 0.02 -0.30 -0.30 0.00 -0.03 0.00 0.00 54.58 53.97 2bkf n ASN 53 Cb 0.08 -4.39 -0.12 0.00 -0.61 0.00 0.00 39.78 34.74 2bkf n ASN 53 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2bkf s GLU 54 N -5.77 2.01 -0.13 3.52 2.56 -1.26 -4.85 118.70 114.78 2bkf s GLU 54 Ca 0.32 -1.03 -0.29 0.00 0.00 0.00 0.00 54.97 53.97 2bkf s GLU 54 Cb -0.15 -2.20 -0.01 0.00 2.00 0.00 0.00 34.13 33.77 2bkf s GLU 54 CO 0.40 0.52 1.10 -1.21 -0.56 0.00 0.00 175.26 175.51 2bkf s GLU 55 N -1.74 4.34 -0.03 4.30 0.41 -1.26 -1.57 118.70 123.16 2bkf s GLU 55 Ca 0.17 1.49 0.04 0.00 -0.41 0.00 0.00 54.97 56.26 2bkf s GLU 55 Cb -0.11 -3.60 -0.00 0.00 -1.78 0.00 0.00 34.13 28.64 2bkf s GLU 55 CO 0.08 -0.47 -0.14 0.14 -0.49 0.00 0.00 175.26 174.38 2bkf s VAL 56 N 2.51 1.19 0.38 2.63 -7.23 -0.23 -4.90 120.40 114.75 2bkf s VAL 56 Ca 0.50 -0.60 -0.25 0.00 -1.81 0.00 0.00 61.98 59.82 2bkf s VAL 56 Cb -0.20 -1.02 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 2bkf s VAL 56 CO 0.16 0.35 1.08 -0.44 -0.31 0.00 0.00 175.10 175.93 2bkf s SER 57 N -0.04 6.78 -0.26 4.85 0.01 -1.26 -0.92 113.70 122.87 2bkf s SER 57 Ca -0.01 2.12 -0.07 0.00 1.31 0.00 0.00 55.95 59.30 2bkf s SER 57 Cb -0.09 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.53 2bkf s SER 57 CO 0.01 -0.48 0.07 -0.63 0.41 0.00 0.00 173.24 172.62 2bkf s ILE 58 N -1.54 4.21 0.00 1.44 1.01 0.10 -4.91 121.20 121.51 2bkf s ILE 58 Ca 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.90 2bkf s ILE 58 Cb -0.25 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.21 2bkf s ILE 58 CO 0.31 0.28 0.87 0.59 0.00 0.00 0.00 174.94 176.99 2bkf n ASN 59 N 4.91 1.50 -3.53 3.58 3.02 -1.26 -4.45 115.26 119.03 2bkf n ASN 59 Ca -0.16 -1.74 -0.08 0.00 -0.03 0.00 0.00 54.58 52.58 2bkf n ASN 59 Cb 0.51 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.66 2bkf n ASN 59 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2bkf s SER 60 N -0.74 -0.33 0.26 6.41 1.04 -1.26 -5.02 113.70 114.05 2bkf s SER 60 Ca 0.00 -0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2bkf s SER 60 Cb 0.00 0.38 0.48 0.00 0.10 0.00 0.00 66.02 66.98 2bkf s SER 60 CO 0.00 -0.63 1.78 -0.61 0.98 0.00 0.00 173.24 174.76 2bkf h GLN 61 N 2.00 0.65 -0.49 4.02 5.75 -1.97 -1.04 115.11 124.03 2bkf h GLN 61 Ca -0.22 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.13 2bkf h GLN 61 Cb 1.24 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 2bkf h GLN 61 CO 0.30 0.43 -0.14 0.78 -2.65 0.00 0.00 178.83 177.55 2bkf h GLY 62 N 0.67 1.04 1.65 2.39 0.00 -1.99 -0.11 103.07 106.72 2bkf h GLY 62 Ca 0.44 -0.87 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 2bkf h GLY 62 CO -0.32 0.79 -0.17 0.83 0.00 0.00 0.00 176.54 177.67 2bkf h GLU 63 N 0.81 0.42 -0.12 4.80 5.08 -1.89 -1.18 114.58 122.51 2bkf h GLU 63 Ca 0.12 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2bkf h GLU 63 Cb 0.70 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2bkf h GLU 63 CO 0.05 0.59 0.01 -0.92 -1.00 0.00 0.00 179.01 177.74 2bkf h TYR 64 N 0.39 0.22 -0.55 4.33 3.20 -0.83 -1.66 116.97 122.06 2bkf h TYR 64 Ca 0.07 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2bkf h TYR 64 Cb 0.53 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2bkf h TYR 64 CO 0.01 0.41 0.36 0.93 -1.64 0.00 0.00 178.16 178.23 2bkf h GLU 65 N -0.04 0.73 -0.25 1.82 5.08 -0.74 -0.41 114.58 120.77 2bkf h GLU 65 Ca 0.04 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2bkf h GLU 65 Cb 0.31 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2bkf h GLU 65 CO 0.00 0.49 -0.53 0.93 -1.00 0.00 0.00 179.01 178.91 2bkf h GLU 66 N 0.75 0.74 -0.79 2.33 4.39 -1.12 -2.08 114.58 118.80 2bkf h GLU 66 Ca 0.20 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.45 2bkf h GLU 66 Cb -0.07 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 2bkf h GLU 66 CO -0.04 1.08 0.52 0.00 -1.16 0.00 0.00 179.01 179.41 2bkf h ALA 67 N 0.83 1.01 -0.55 3.43 0.00 -0.57 -2.65 119.26 120.76 2bkf h ALA 67 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2bkf h ALA 67 Cb 1.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2bkf h ALA 67 CO 0.11 0.43 0.19 -0.07 0.00 0.00 0.00 179.25 179.90 2bkf h LEU 68 N 1.08 0.74 -1.17 0.00 3.38 -0.90 -1.28 115.31 117.16 2bkf h LEU 68 Ca 0.29 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2bkf h LEU 68 Cb -0.11 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2bkf h LEU 68 CO -0.06 0.70 0.56 0.11 0.09 0.00 0.00 178.44 179.83 2bkf h LYS 69 N 0.79 1.10 -0.29 1.13 1.57 -1.04 -2.06 116.57 117.78 2bkf h LYS 69 Ca 0.18 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2bkf h LYS 69 Cb 0.21 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2bkf h LYS 69 CO -0.01 0.73 -0.16 1.98 -0.57 0.00 0.00 179.45 181.42 2bkf h MET 70 N 1.14 0.63 -0.95 3.15 4.05 -1.18 -3.14 114.93 118.62 2bkf h MET 70 Ca 0.31 -0.28 0.11 0.00 -0.28 0.00 0.00 59.70 59.56 2bkf h MET 70 Cb -0.12 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 30.59 2bkf h MET 70 CO -0.07 0.86 0.61 0.00 0.23 0.00 0.00 176.91 178.54 2bkf h ALA 71 N 0.75 1.59 -0.99 0.39 0.00 -0.74 -0.12 119.26 120.14 2bkf h ALA 71 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2bkf h ALA 71 Cb 0.69 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 2bkf h ALA 71 CO 0.05 0.20 0.62 0.28 0.00 0.00 0.00 179.25 180.40 2bkf h VAL 72 N 0.94 0.95 0.00 0.00 2.07 -1.34 0.26 116.25 119.13 2bkf h VAL 72 Ca 0.45 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2bkf h VAL 72 Cb 0.45 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2bkf h VAL 72 CO -0.21 0.18 -0.18 0.11 0.02 0.00 0.00 177.57 177.49 2bkf h LYS 73 N 1.01 0.00 -1.45 1.57 1.57 -1.08 -3.37 116.57 114.82 2bkf h LYS 73 Ca 0.48 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.67 2bkf h LYS 73 Cb 0.42 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.31 2bkf h LYS 73 CO -0.25 0.00 -0.71 1.04 -0.57 0.00 0.00 179.45 178.96 2bkf n GLN 74 N -2.30 3.44 -1.61 3.15 6.02 -0.58 -4.92 117.38 120.58 2bkf n GLN 74 Ca 0.05 -4.46 -0.09 0.00 -0.01 0.00 0.00 57.00 52.49 2bkf n GLN 74 Cb 0.44 -2.25 -0.03 0.00 1.02 0.00 0.00 30.24 29.42 2bkf n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bkf n GLY 75 N -0.51 0.66 3.59 1.08 0.00 -1.19 -3.65 105.19 105.18 2bkf n GLY 75 Ca 0.40 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 2bkf n GLY 75 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bkf n ASN 76 N 0.45 -4.81 -3.82 1.61 3.02 0.81 -4.93 115.26 107.58 2bkf n ASN 76 Ca -0.10 -0.60 -0.10 0.00 -0.03 0.00 0.00 54.58 53.75 2bkf n ASN 76 Cb 0.40 -4.91 -0.08 0.00 -0.61 0.00 0.00 39.78 34.59 2bkf n ASN 76 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bkf s GLN 77 N -6.07 0.76 -0.02 3.52 -2.07 -1.23 -1.19 119.66 113.36 2bkf s GLN 77 Ca 0.41 -0.67 0.04 0.00 -1.82 0.00 0.00 55.36 53.31 2bkf s GLN 77 Cb -0.18 0.32 -0.00 0.00 -1.09 0.00 0.00 33.01 32.05 2bkf s GLN 77 CO 0.74 -0.23 -0.12 -0.51 -1.32 0.00 0.00 175.29 173.84 2bkf s LEU 78 N -2.26 1.92 -0.35 2.60 1.43 -0.28 -4.55 118.68 117.20 2bkf s LEU 78 Ca -0.03 -0.24 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 2bkf s LEU 78 Cb 0.00 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.52 2bkf s LEU 78 CO -0.05 0.13 0.25 -1.10 0.23 0.00 0.00 176.35 175.80 2bkf s GLN 79 N -0.07 3.46 0.07 1.70 -1.52 -1.26 -0.93 119.66 121.11 2bkf s GLN 79 Ca 0.01 -0.66 0.10 0.00 -1.95 0.00 0.00 55.36 52.85 2bkf s GLN 79 Cb -0.07 -3.82 -0.03 0.00 -0.22 0.00 0.00 33.01 28.86 2bkf s GLN 79 CO 0.00 -0.47 -0.26 -1.64 -0.25 0.00 0.00 175.29 172.68 2bkf s MET 80 N 1.73 1.71 -0.04 2.91 -1.94 0.55 -1.83 119.30 122.39 2bkf s MET 80 Ca 0.06 -1.17 0.03 0.00 -1.71 0.00 0.00 55.69 52.90 2bkf s MET 80 Cb -0.17 -1.98 0.00 0.00 2.01 0.00 0.00 34.83 34.69 2bkf s MET 80 CO 0.11 0.50 -0.13 1.14 -0.01 0.00 0.00 175.02 176.62 2bkf s GLN 81 N -1.53 1.43 -0.09 2.03 -2.07 0.33 -0.92 119.66 118.84 2bkf s GLN 81 Ca 0.13 -0.46 -0.01 0.00 -1.82 0.00 0.00 55.36 53.20 2bkf s GLN 81 Cb -0.10 -1.27 -0.03 0.00 -1.09 0.00 0.00 33.01 30.52 2bkf s GLN 81 CO 0.04 0.17 -0.04 0.08 -1.32 0.00 0.00 175.29 174.21 2bkf s VAL 82 N 0.16 3.91 0.02 3.63 1.01 0.49 -0.79 120.40 128.83 2bkf s VAL 82 Ca -0.04 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.60 2bkf s VAL 82 Cb -0.11 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2bkf s VAL 82 CO 0.02 0.58 -0.18 -1.00 0.00 0.00 0.00 175.10 174.51 2bkf s HIS 83 N -0.58 1.59 0.26 5.22 3.76 -0.17 -4.53 115.29 120.83 2bkf s HIS 83 Ca 0.09 -0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 54.37 2bkf s HIS 83 Cb -0.12 -0.97 -0.09 0.00 1.11 0.00 0.00 32.58 32.51 2bkf s HIS 83 CO 0.02 0.03 0.98 -2.00 -0.85 0.00 0.00 174.74 172.92 2bkf s GLU 84 N -0.85 4.78 0.00 1.40 2.12 -1.26 -1.24 118.70 123.65 2bkf s GLU 84 Ca 0.06 1.56 0.00 0.00 0.36 0.00 0.00 54.97 56.95 2bkf s GLU 84 Cb -0.08 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2bkf s GLU 84 CO 0.01 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.56