#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 n HIS 2 N 0.00 2.57 -3.44 1.61 -0.00 -1.26 -4.60 115.22 110.10 2k42 n HIS 2 Ca 0.00 -3.02 -0.21 0.00 -0.00 0.00 0.00 57.72 54.49 2k42 n HIS 2 Cb 0.00 -2.34 0.05 0.00 -0.00 0.00 0.00 29.99 27.69 2k42 n HIS 2 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2k42 n MET 3 N 3.40 -1.65 -2.34 -0.41 0.00 -1.26 -4.86 117.12 110.01 2k42 n MET 3 Ca 0.72 0.75 -0.36 0.00 0.00 0.00 0.00 57.70 58.81 2k42 n MET 3 Cb 0.25 -4.91 -0.04 0.00 0.00 0.00 0.00 33.22 28.52 2k42 n MET 3 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2k42 s SER 4 N -3.36 5.88 0.00 7.83 1.04 -1.26 -4.74 113.70 119.08 2k42 s SER 4 Ca 0.40 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2k42 s SER 4 Cb -0.10 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2k42 s SER 4 CO 0.80 -2.04 0.00 0.61 0.98 0.00 0.00 173.24 173.59 2k42 n GLY 5 N 6.47 2.55 0.00 7.32 0.00 -1.26 -4.75 105.19 115.53 2k42 n GLY 5 Ca 0.28 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.35 2k42 n GLY 5 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2k42 n PHE 6 N -0.15 0.00 0.00 1.61 1.16 -1.26 -4.82 117.46 114.01 2k42 n PHE 6 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2k42 n PHE 6 Cb 0.00 -0.49 0.00 0.00 -1.61 0.00 0.00 39.48 37.38 2k42 n PHE 6 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 2k42 n LYS 7 N -1.49 0.00 -2.83 3.97 3.00 -1.26 -1.65 118.16 117.90 2k42 n LYS 7 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.24 2k42 n LYS 7 Cb 0.19 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.29 2k42 n LYS 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2k42 n HIS 8 N 0.00 -2.22 0.47 5.64 -0.00 -1.26 -2.85 115.22 114.99 2k42 n HIS 8 Ca 0.00 -2.49 0.13 0.00 -0.00 0.00 0.00 57.72 55.36 2k42 n HIS 8 Cb 0.00 1.18 0.38 0.00 -0.00 0.00 0.00 29.99 31.55 2k42 n HIS 8 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2k42 h VAL 9 N 2.57 0.00 -0.64 3.57 2.07 -1.70 -3.47 116.25 118.65 2k42 h VAL 9 Ca -0.06 -0.57 -0.27 0.00 0.82 0.00 0.00 66.70 66.62 2k42 h VAL 9 Cb 1.07 1.53 -0.11 0.00 -1.52 0.00 0.00 31.29 32.26 2k42 h VAL 9 CO 0.22 0.00 -0.25 -1.20 0.02 0.00 0.00 177.57 176.36 2k42 n SER 10 N -2.53 -4.71 -0.14 0.57 7.64 -1.26 -4.83 113.62 108.36 2k42 n SER 10 Ca 0.04 0.33 -0.28 0.00 1.01 0.00 0.00 58.87 59.97 2k42 n SER 10 Cb 0.42 -3.39 -0.10 0.00 -1.01 0.00 0.00 64.21 60.13 2k42 n SER 10 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2k42 n HIS 11 N -2.58 0.01 -0.72 1.43 8.25 -1.26 -4.97 115.22 115.38 2k42 n HIS 11 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2k42 n HIS 11 Cb 0.46 -0.97 0.00 0.00 1.12 0.00 0.00 29.99 30.60 2k42 n HIS 11 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k42 n VAL 12 N -4.27 0.00 -2.16 1.59 0.31 -1.26 -0.22 118.33 112.32 2k42 n VAL 12 Ca -0.52 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 63.67 2k42 n VAL 12 Cb 0.86 -0.72 -0.01 0.00 -0.91 0.00 0.00 33.84 33.06 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k42 n GLY 13 N -0.28 -0.00 3.43 2.92 0.00 -1.26 -4.84 105.19 105.17 2k42 n GLY 13 Ca 0.00 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 2k42 n GLY 13 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k42 s TRP 14 N -2.66 2.57 -0.07 1.61 -0.00 0.69 -1.50 118.94 119.58 2k42 s TRP 14 Ca 0.00 -0.25 0.05 0.00 -0.00 0.00 0.00 56.10 55.89 2k42 s TRP 14 Cb 0.00 -1.54 -0.00 0.00 -0.00 0.00 0.00 33.47 31.93 2k42 s TRP 14 CO 0.00 0.17 -0.21 0.34 -0.00 0.00 0.00 176.95 177.25 2k42 s ASP 15 N -0.99 2.68 0.57 5.86 2.15 0.32 -4.96 116.67 122.31 2k42 s ASP 15 Ca 0.12 -0.46 0.29 0.00 0.43 0.00 0.00 52.55 52.94 2k42 s ASP 15 Cb -0.10 -0.93 1.46 0.00 -0.30 0.00 0.00 42.92 43.05 2k42 s ASP 15 CO 0.02 0.17 1.90 1.55 -0.17 0.00 0.00 175.17 178.64 2k42 h PRO 16 N 6.39 0.00 0.00 4.34 0.13 -1.98 0.30 132.00 141.19 2k42 h PRO 16 Ca -0.28 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.59 2k42 h PRO 16 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k42 h PRO 16 CO 0.47 0.00 -1.79 0.94 -0.23 0.00 0.00 178.00 177.40 2k42 n GLN 17 N -3.92 0.43 0.20 0.86 7.27 -1.26 -4.66 117.38 116.31 2k42 n GLN 17 Ca 0.11 0.19 0.14 0.00 0.07 0.00 0.00 57.00 57.51 2k42 n GLN 17 Cb 0.76 -1.24 0.45 0.00 2.41 0.00 0.00 30.24 32.62 2k42 n GLN 17 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2k42 h ASN 18 N -0.76 0.00 0.00 1.69 4.21 -1.84 -3.33 115.58 115.55 2k42 h ASN 18 Ca -0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.12 2k42 h ASN 18 Cb 1.27 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.47 2k42 h ASN 18 CO -0.24 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.51 2k42 n GLY 19 N 0.58 -1.26 3.75 2.83 0.00 0.11 -4.28 105.19 106.91 2k42 n GLY 19 Ca 0.03 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 2k42 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k42 s PHE 20 N 0.00 3.87 -0.52 1.61 0.08 -0.24 -0.52 117.98 122.26 2k42 s PHE 20 Ca 0.00 1.85 -0.28 0.00 0.12 0.00 0.00 56.93 58.62 2k42 s PHE 20 Cb 0.00 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.39 2k42 s PHE 20 CO 0.00 0.18 1.52 0.34 -0.10 0.00 0.00 175.22 177.17 2k42 s ASP 21 N -1.01 6.00 0.00 1.36 -1.08 -0.56 -4.62 116.67 116.77 2k42 s ASP 21 Ca 0.42 0.48 0.23 0.00 -0.52 0.00 0.00 52.55 53.17 2k42 s ASP 21 Cb -0.27 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 39.89 2k42 s ASP 21 CO 0.34 -1.77 1.74 1.33 0.52 0.00 0.00 175.17 177.33 2k42 n VAL 22 N 7.00 0.17 -0.02 1.11 0.24 -1.26 -1.80 118.33 123.77 2k42 n VAL 22 Ca 0.15 0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.37 2k42 n VAL 22 Cb 0.49 -0.68 -0.14 0.00 -1.47 0.00 0.00 33.84 32.05 2k42 n VAL 22 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2k42 n ASN 23 N -1.16 1.21 -1.50 -1.34 5.15 -1.26 -4.25 115.26 112.10 2k42 n ASN 23 Ca 0.14 0.34 -0.13 0.00 -0.60 0.00 0.00 54.58 54.33 2k42 n ASN 23 Cb 0.14 -0.26 0.14 0.00 -0.53 0.00 0.00 39.78 39.27 2k42 n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k42 n ASN 24 N -3.16 3.63 -4.68 1.20 5.03 -0.85 -5.01 115.26 111.42 2k42 n ASN 24 Ca -0.22 -3.79 -0.42 0.00 0.87 0.00 0.00 54.58 51.02 2k42 n ASN 24 Cb 1.05 -0.61 -0.03 0.00 -1.02 0.00 0.00 39.78 39.17 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2k42 s LEU 25 N -3.41 4.31 0.37 3.41 1.43 -0.75 -4.92 118.68 119.12 2k42 s LEU 25 Ca 0.49 2.15 -0.28 0.00 -1.03 0.00 0.00 54.13 55.46 2k42 s LEU 25 Cb 0.42 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.99 2k42 s LEU 25 CO 0.00 -0.80 1.39 -1.81 0.23 0.00 0.00 176.35 175.37 2k42 s ASP 26 N 2.33 6.48 0.23 2.29 1.01 -1.26 -4.73 116.67 123.02 2k42 s ASP 26 Ca 0.67 2.86 -0.17 0.00 0.71 0.00 0.00 52.55 56.62 2k42 s ASP 26 Cb -0.32 -2.66 0.25 0.00 1.01 0.00 0.00 42.92 41.20 2k42 s ASP 26 CO 0.27 -0.76 1.56 -0.65 0.21 0.00 0.00 175.17 175.80 2k42 h PRO 27 N 3.08 -0.03 -0.04 8.23 0.11 -1.98 0.21 132.00 141.58 2k42 h PRO 27 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k42 h PRO 27 Cb 1.24 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k42 h PRO 27 CO 0.64 -0.02 0.02 0.38 -0.21 0.00 0.00 178.00 178.81 2k42 h ASP 28 N -0.03 0.06 -0.46 -2.05 3.04 -1.98 0.13 116.42 115.14 2k42 h ASP 28 Ca 0.34 -0.18 0.05 0.00 -3.24 0.00 0.00 57.03 54.00 2k42 h ASP 28 Cb 0.60 -0.02 -0.05 0.00 -1.04 0.00 0.00 39.33 38.83 2k42 h ASP 28 CO -0.94 0.23 0.18 -0.07 -2.04 0.00 0.00 179.24 176.60 2k42 h LEU 29 N -0.11 0.20 -1.37 0.15 3.38 -1.72 0.13 115.31 115.98 2k42 h LEU 29 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2k42 h LEU 29 Cb 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2k42 h LEU 29 CO -0.00 0.15 0.17 -0.09 0.09 0.00 0.00 178.44 178.76 2k42 h ARG 30 N 0.36 0.60 0.10 1.13 1.12 -0.26 -0.09 114.38 117.33 2k42 h ARG 30 Ca 0.21 -0.08 -0.00 0.00 -1.11 0.00 0.00 59.98 59.00 2k42 h ARG 30 Cb 0.19 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.04 2k42 h ARG 30 CO -0.20 0.50 -0.05 1.03 -3.11 0.00 0.00 179.97 178.14 2k42 h SER 31 N 0.60 -0.11 0.52 -3.80 0.87 -0.06 -3.24 113.55 108.32 2k42 h SER 31 Ca 0.15 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2k42 h SER 31 Cb 0.12 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2k42 h SER 31 CO -0.02 0.28 -0.37 0.25 -0.53 0.00 0.00 176.83 176.44 2k42 h LEU 32 N -0.52 -0.97 -1.17 2.23 5.85 -0.01 -2.49 115.31 118.23 2k42 h LEU 32 Ca -0.01 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2k42 h LEU 32 Cb 0.43 0.30 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2k42 h LEU 32 CO 0.02 -0.56 0.57 -0.26 -0.34 0.00 0.00 178.44 177.87 2k42 h PHE 33 N -0.87 1.06 -0.41 1.25 0.04 -1.18 0.11 116.94 116.93 2k42 h PHE 33 Ca -0.06 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 2k42 h PHE 33 Cb 0.73 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 2k42 h PHE 33 CO -0.14 0.64 -0.09 1.03 -0.60 0.00 0.00 178.31 179.15 2k42 h SER 34 N 1.12 0.70 -0.46 2.17 0.87 -1.56 0.13 113.55 116.52 2k42 h SER 34 Ca 0.33 -0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 2k42 h SER 34 Cb -0.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2k42 h SER 34 CO -0.08 0.83 -0.18 0.03 -0.53 0.00 0.00 176.83 176.90 2k42 h ARG 35 N 0.66 0.97 0.00 2.24 3.08 -0.50 -3.04 114.38 117.78 2k42 h ARG 35 Ca 0.12 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2k42 h ARG 35 Cb 0.54 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2k42 h ARG 35 CO 0.03 1.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.99 2k42 n ALA 36 N -2.51 1.72 -0.05 0.04 0.00 0.16 -4.83 120.51 115.04 2k42 n ALA 36 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k42 n ALA 36 Cb 0.44 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2k42 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k42 n GLY 37 N 0.13 0.47 3.57 0.00 0.00 -0.95 -5.03 105.19 103.39 2k42 n GLY 37 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 2k42 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k42 s ILE 38 N -2.10 3.94 0.78 -0.61 1.01 -0.01 -5.00 121.20 119.21 2k42 s ILE 38 Ca 0.00 0.80 -0.11 0.00 0.00 0.00 0.00 60.65 61.34 2k42 s ILE 38 Cb 0.00 -4.74 0.07 0.00 0.01 0.00 0.00 42.46 37.79 2k42 s ILE 38 CO 0.00 -1.43 1.11 -0.55 0.00 0.00 0.00 174.94 174.07 2k42 s SER 39 N 3.23 4.29 0.33 3.58 0.15 -1.26 -3.83 113.70 120.17 2k42 s SER 39 Ca 0.42 1.92 0.07 0.00 0.70 0.00 0.00 55.95 59.06 2k42 s SER 39 Cb -0.08 -2.53 0.75 0.00 -1.71 0.00 0.00 66.02 62.45 2k42 s SER 39 CO 0.23 -2.18 1.83 -0.33 1.20 0.00 0.00 173.24 173.99 2k42 h GLU 40 N -1.12 0.75 -0.70 5.44 5.08 -1.96 0.13 114.58 122.20 2k42 h GLU 40 Ca -0.44 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 2k42 h GLU 40 Cb 1.24 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2k42 h GLU 40 CO 0.50 0.49 0.26 0.00 -1.00 0.00 0.00 179.01 179.26 2k42 h ALA 41 N 1.60 0.91 0.00 3.43 0.00 -1.98 -2.46 119.26 120.76 2k42 h ALA 41 Ca 0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2k42 h ALA 41 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2k42 h ALA 41 CO -0.27 0.55 -0.24 0.37 0.00 0.00 0.00 179.25 179.67 2k42 h GLN 42 N 1.01 0.00 0.00 0.00 4.15 -1.15 -0.02 115.11 119.09 2k42 h GLN 42 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.65 2k42 h GLN 42 Cb 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 2k42 h GLN 42 CO -0.01 0.24 0.00 -0.07 -1.93 0.00 0.00 178.83 177.05 2k42 h LEU 43 N 0.00 0.00 -2.97 -2.39 3.38 -0.71 -2.36 115.31 110.26 2k42 h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k42 h LEU 43 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2k42 h LEU 43 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 2k42 n THR 44 N -2.74 1.35 -3.26 0.22 -2.24 -0.07 -1.08 114.28 106.47 2k42 n THR 44 Ca 0.01 -1.19 -0.39 0.00 -2.27 0.00 0.00 64.05 60.22 2k42 n THR 44 Cb 0.29 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 2k42 n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k42 s ASP 45 N -1.15 6.92 0.00 3.42 1.01 -0.89 -4.53 116.67 121.45 2k42 s ASP 45 Ca 0.34 1.09 -0.02 0.00 0.71 0.00 0.00 52.55 54.67 2k42 s ASP 45 Cb 0.21 -2.34 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 2k42 s ASP 45 CO 0.18 0.12 1.03 0.00 0.21 0.00 0.00 175.17 176.71 2k42 h ALA 46 N 5.63 -0.70 -0.60 5.23 0.00 -1.88 0.16 119.26 127.12 2k42 h ALA 46 Ca -0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 2k42 h ALA 46 Cb 1.20 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2k42 h ALA 46 CO 0.69 -0.70 0.21 1.05 0.00 0.00 0.00 179.25 180.51 2k42 h GLU 47 N -0.05 0.88 0.56 0.00 9.09 -1.91 -2.11 114.58 121.05 2k42 h GLU 47 Ca -0.00 -0.15 -0.03 0.00 0.05 0.00 0.00 59.36 59.23 2k42 h GLU 47 Cb 0.04 -0.15 0.01 0.00 -1.65 0.00 0.00 28.75 27.00 2k42 h GLU 47 CO -0.01 0.74 -0.27 1.15 0.05 0.00 0.00 179.01 180.67 2k42 h THR 48 N 0.86 0.43 -0.74 -1.06 2.02 -1.82 -2.25 112.91 110.34 2k42 h THR 48 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2k42 h THR 48 Cb 0.21 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 2k42 h THR 48 CO -0.01 0.02 0.41 -1.28 0.37 0.00 0.00 175.52 175.02 2k42 h SER 49 N -0.83 0.92 -0.52 4.18 0.87 -0.42 0.64 113.55 118.40 2k42 h SER 49 Ca -0.08 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.31 2k42 h SER 49 Cb 0.61 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 2k42 h SER 49 CO 0.13 0.75 0.03 0.50 -0.53 0.00 0.00 176.83 177.71 2k42 h LYS 50 N 1.02 0.94 0.00 2.24 3.64 -1.41 -1.07 116.57 121.93 2k42 h LYS 50 Ca 0.26 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2k42 h LYS 50 Cb 0.03 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2k42 h LYS 50 CO -0.04 0.91 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.51 2k42 h LEU 51 N 0.87 0.00 -0.41 5.20 3.38 -0.74 0.23 115.31 123.83 2k42 h LEU 51 Ca 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2k42 h LEU 51 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k42 h LEU 51 CO 0.02 0.46 0.04 0.40 0.09 0.00 0.00 178.44 179.45 2k42 h ILE 52 N 0.00 1.25 -0.42 1.22 2.04 -0.43 0.11 117.51 121.28 2k42 h ILE 52 Ca -0.00 -0.94 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 2k42 h ILE 52 Cb 1.12 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2k42 h ILE 52 CO 0.06 0.32 0.02 0.22 0.00 0.00 0.00 178.15 178.77 2k42 h TYR 53 N 0.54 0.79 -0.77 1.37 3.20 -0.87 0.21 116.97 121.45 2k42 h TYR 53 Ca 0.12 -0.13 0.13 0.00 3.14 0.00 0.00 58.73 62.00 2k42 h TYR 53 Cb 0.42 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2k42 h TYR 53 CO 0.03 0.79 0.51 0.22 -1.64 0.00 0.00 178.16 178.07 2k42 h ASP 54 N 0.57 0.48 0.13 -2.11 3.58 -0.48 0.82 116.42 119.41 2k42 h ASP 54 Ca 0.12 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 2k42 h ASP 54 Cb 0.46 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2k42 h ASP 54 CO 0.02 0.26 -0.06 0.15 -2.88 0.00 0.00 179.24 176.72 2k42 h PHE 55 N 0.51 -0.16 -0.70 0.28 3.57 0.06 -0.86 116.94 119.65 2k42 h PHE 55 Ca 0.38 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.91 2k42 h PHE 55 Cb 0.73 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 2k42 h PHE 55 CO -0.00 0.15 0.42 0.82 -2.23 0.00 0.00 178.31 177.47 2k42 h ILE 56 N -0.48 1.05 -0.07 1.41 2.04 -0.09 -0.40 117.51 120.98 2k42 h ILE 56 Ca -0.02 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.60 2k42 h ILE 56 Cb 0.38 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2k42 h ILE 56 CO 0.03 0.15 -0.18 -0.33 0.00 0.00 0.00 178.15 177.81 2k42 h GLU 57 N 0.81 -0.25 -0.44 2.37 4.39 -0.86 0.44 114.58 121.03 2k42 h GLU 57 Ca 0.29 0.02 0.09 0.00 0.34 0.00 0.00 59.36 60.10 2k42 h GLU 57 Cb 0.08 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2k42 h GLU 57 CO -0.13 -0.17 0.31 0.22 -1.16 0.00 0.00 179.01 178.08 2k42 h ASP 58 N -0.26 0.19 1.07 1.42 3.58 -0.05 0.23 116.42 122.59 2k42 h ASP 58 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2k42 h ASP 58 Cb 0.37 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.39 2k42 h ASP 58 CO -0.23 0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.25 2k42 n GLN 59 N -4.46 0.07 0.00 0.28 1.13 -0.27 -4.85 117.38 109.29 2k42 n GLN 59 Ca 0.07 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2k42 n GLN 59 Cb 0.37 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.13 2k42 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k42 n GLY 60 N 1.29 1.00 0.00 1.08 0.00 0.06 -4.79 105.19 103.84 2k42 n GLY 60 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2k42 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k42 n GLY 61 N -0.13 0.14 0.12 -0.02 0.00 0.10 -4.74 105.19 100.67 2k42 n GLY 61 Ca 0.00 -2.27 -0.19 0.00 0.00 0.00 0.00 46.02 43.56 2k42 n GLY 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k42 h LEU 62 N 0.00 0.48 -1.19 0.99 4.07 -1.75 -3.22 115.31 114.70 2k42 h LEU 62 Ca 0.00 -0.88 0.01 0.00 0.08 0.00 0.00 57.88 57.09 2k42 h LEU 62 Cb 0.00 -0.15 -0.04 0.00 1.08 0.00 0.00 40.66 41.55 2k42 h LEU 62 CO 0.00 1.32 0.53 -0.33 -1.08 0.00 0.00 178.44 178.87 2k42 h GLU 63 N -0.28 1.07 0.14 1.13 4.39 -1.87 -2.33 114.58 116.83 2k42 h GLU 63 Ca -0.11 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.52 2k42 h GLU 63 Cb 1.50 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2k42 h GLU 63 CO 0.14 0.71 -0.17 0.00 -1.16 0.00 0.00 179.01 178.53 2k42 h ALA 64 N 1.48 -0.31 -0.91 3.43 0.00 -1.85 -2.53 119.26 118.57 2k42 h ALA 64 Ca 0.29 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2k42 h ALA 64 Cb -0.11 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2k42 h ALA 64 CO -0.06 -0.70 0.59 0.28 0.00 0.00 0.00 179.25 179.36 2k42 h VAL 65 N -0.35 1.13 -0.44 0.00 2.07 -1.44 0.22 116.25 117.43 2k42 h VAL 65 Ca 0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2k42 h VAL 65 Cb 0.35 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2k42 h VAL 65 CO -0.06 0.20 0.23 0.03 0.02 0.00 0.00 177.57 177.99 2k42 h ARG 66 N 1.11 0.61 0.00 1.57 3.08 -1.17 -2.98 114.38 116.60 2k42 h ARG 66 Ca 0.37 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 2k42 h ARG 66 Cb 0.07 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 2k42 h ARG 66 CO -0.12 0.46 -1.52 1.04 -1.07 0.00 0.00 179.97 178.76 2k42 n GLN 67 N -4.41 0.63 0.22 0.04 6.02 -0.02 -4.01 117.38 115.86 2k42 n GLN 67 Ca 0.03 -0.01 0.18 0.00 -0.01 0.00 0.00 57.00 57.19 2k42 n GLN 67 Cb 0.11 -1.68 0.86 0.00 1.02 0.00 0.00 30.24 30.55 2k42 n GLN 67 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2k42 h GLU 68 N 0.00 0.00 -0.11 -1.09 4.39 -0.50 0.10 114.58 117.37 2k42 h GLU 68 Ca -0.03 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.70 2k42 h GLU 68 Cb 1.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2k42 h GLU 68 CO 0.00 0.00 0.13 0.52 -1.16 0.00 0.00 179.01 178.51 2k42 h MET 69 N 0.00 0.00 0.00 2.33 2.86 -1.70 0.40 114.93 118.82 2k42 h MET 69 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2k42 h MET 69 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2k42 h MET 69 CO -0.00 0.00 -0.06 2.89 1.06 0.00 0.00 176.91 180.80 2k42 n ARG 70 N -3.77 1.60 0.04 1.72 1.85 0.26 -4.85 116.66 113.49 2k42 n ARG 70 Ca -0.00 -1.51 0.00 0.00 -1.00 0.00 0.00 57.85 55.34 2k42 n ARG 70 Cb 0.24 -0.97 0.00 0.00 -1.05 0.00 0.00 32.46 30.68 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2k42 n ARG 71 N -0.58 0.00 0.00 2.89 0.00 -0.55 -5.13 116.66 113.30 2k42 n ARG 71 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 58.01 2k42 n ARG 71 Cb 0.45 -0.41 0.71 0.00 0.00 0.00 0.00 32.46 33.22 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57