#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 2.70 -2.45 1.61 -0.00 -1.26 -4.82 115.22 111.00 2k42 n HIS 2 Ca 0.00 -2.86 -0.43 0.00 -0.00 0.00 0.00 57.72 54.43 2k42 n HIS 2 Cb 0.00 -2.00 0.01 0.00 -0.00 0.00 0.00 29.99 28.00 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 2.78 3.72 -2.88 -0.41 0.00 -1.26 -4.92 117.12 114.15 2k42 n MET 3 Ca 0.58 -3.67 -0.43 0.00 0.00 0.00 0.00 57.70 54.18 2k42 n MET 3 Cb 0.28 -2.88 -0.02 0.00 0.00 0.00 0.00 33.22 30.60 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 0.62 6.67 0.00 7.83 1.04 -1.26 -4.90 113.70 123.70 2k42 s SER 4 Ca 0.39 -2.08 0.00 0.00 0.48 0.00 0.00 55.95 54.73 2k42 s SER 4 Cb 0.08 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2k42 s SER 4 CO 0.02 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2k42 n GLY 5 N 5.51 0.74 3.82 7.32 0.00 -1.26 -4.81 105.19 116.51 2k42 n GLY 5 Ca 0.27 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 2k42 n GLY 5 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k42 s PHE 6 N -0.97 3.52 -1.00 1.61 -0.12 -1.26 -4.98 117.98 114.79 2k42 s PHE 6 Ca 0.00 1.44 -0.22 0.00 -0.05 0.00 0.00 56.93 58.10 2k42 s PHE 6 Cb 0.00 -2.68 0.07 0.00 -0.63 0.00 0.00 43.02 39.78 2k42 s PHE 6 CO 0.00 0.17 1.37 0.21 -0.05 0.00 0.00 175.22 176.92 2k42 s LYS 7 N -2.47 3.59 0.00 1.99 2.47 -1.26 -4.67 119.74 119.39 2k42 s LYS 7 Ca 0.50 -1.29 0.00 0.00 -1.56 0.00 0.00 55.97 53.63 2k42 s LYS 7 Cb -0.14 -5.24 0.00 0.00 -1.46 0.00 0.00 37.83 30.99 2k42 s LYS 7 CO 0.19 -2.10 0.00 1.58 0.16 0.00 0.00 175.35 175.19 2k42 n HIS 8 N 8.28 0.00 0.00 4.03 -0.00 -1.26 -4.77 115.22 121.50 2k42 n HIS 8 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.03 2k42 n HIS 8 Cb 0.51 -0.03 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2k42 n HIS 8 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2k42 n VAL 9 N 0.62 0.00 0.03 3.57 3.14 -1.26 -4.95 118.33 119.48 2k42 n VAL 9 Ca 0.00 0.00 0.16 0.00 -2.96 0.00 0.00 64.34 61.54 2k42 n VAL 9 Cb 0.01 0.00 0.64 0.00 -1.06 0.00 0.00 33.84 33.43 2k42 n VAL 9 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 2k42 h SER 10 N 0.00 0.08 -2.17 6.55 4.64 -1.95 -3.45 113.55 117.24 2k42 h SER 10 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 2k42 h SER 10 Cb 0.00 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.01 2k42 h SER 10 CO 0.00 0.05 -0.45 1.41 -0.87 0.00 0.00 176.83 176.96 2k42 n HIS 11 N -4.43 -0.63 -1.23 4.77 8.25 -1.26 -3.15 115.22 117.54 2k42 n HIS 11 Ca 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.43 2k42 n HIS 11 Cb 0.45 -3.59 -0.04 0.00 1.12 0.00 0.00 29.99 27.93 2k42 n HIS 11 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2k42 n VAL 12 N -3.52 0.00 -1.75 1.59 0.24 -1.26 -0.53 118.33 113.10 2k42 n VAL 12 Ca -0.22 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 2k42 n VAL 12 Cb 0.66 -0.98 -0.04 0.00 -1.47 0.00 0.00 33.84 32.01 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k42 n GLY 13 N -0.13 0.88 3.71 7.63 0.00 -1.19 -4.71 105.19 111.39 2k42 n GLY 13 Ca -0.10 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.63 3.68 -0.16 1.61 -0.00 0.31 -3.98 118.94 117.76 2k42 s TRP 14 Ca 0.00 1.70 -0.07 0.00 -0.00 0.00 0.00 56.10 57.73 2k42 s TRP 14 Cb 0.00 -3.12 -0.04 0.00 -0.00 0.00 0.00 33.47 30.31 2k42 s TRP 14 CO 0.00 -0.02 0.09 0.34 -0.00 0.00 0.00 176.95 177.36 2k42 s ASP 15 N 0.84 5.88 0.50 5.86 -1.08 0.18 -4.93 116.67 123.91 2k42 s ASP 15 Ca 0.51 0.21 0.33 0.00 -0.52 0.00 0.00 52.55 53.08 2k42 s ASP 15 Cb -0.22 -1.95 1.45 0.00 -1.46 0.00 0.00 42.92 40.74 2k42 s ASP 15 CO 0.28 0.26 1.76 -0.65 0.52 0.00 0.00 175.17 177.34 2k42 h PRO 16 N 6.08 0.10 0.00 4.34 0.11 -1.97 0.42 132.00 141.09 2k42 h PRO 16 Ca -0.44 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.33 2k42 h PRO 16 Cb 1.18 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2k42 h PRO 16 CO 0.67 0.07 -2.15 1.04 -0.21 0.00 0.00 178.00 177.41 2k42 n GLN 17 N -4.31 0.44 0.00 1.05 6.02 -1.26 -4.69 117.38 114.63 2k42 n GLN 17 Ca 0.28 0.18 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 2k42 n GLN 17 Cb 1.24 -1.25 0.21 0.00 1.02 0.00 0.00 30.24 31.45 2k42 n GLN 17 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2k42 n ASN 18 N -3.81 2.29 0.00 1.08 5.03 -1.17 -3.60 115.26 115.08 2k42 n ASN 18 Ca -0.40 -1.69 0.00 0.00 0.87 0.00 0.00 54.58 53.36 2k42 n ASN 18 Cb 0.80 0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.66 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k42 n GLY 19 N 1.32 1.46 3.80 7.41 0.00 0.15 -3.92 105.19 115.41 2k42 n GLY 19 Ca 0.14 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 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 3.64 -0.43 1.61 0.40 0.24 0.49 117.98 123.93 2k42 s PHE 20 Ca 0.00 1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 57.59 2k42 s PHE 20 Cb 0.00 -2.74 0.03 0.00 0.51 0.00 0.00 43.02 40.82 2k42 s PHE 20 CO 0.00 0.27 1.05 0.34 0.70 0.00 0.00 175.22 177.58 2k42 s ASP 21 N -1.68 6.66 0.11 1.36 2.15 -1.26 -4.50 116.67 119.52 2k42 s ASP 21 Ca 0.47 0.50 0.24 0.00 0.43 0.00 0.00 52.55 54.19 2k42 s ASP 21 Cb -0.17 -2.52 0.38 0.00 -0.30 0.00 0.00 42.92 40.31 2k42 s ASP 21 CO 0.22 -1.10 1.34 1.33 -0.17 0.00 0.00 175.17 176.79 2k42 n VAL 22 N 6.48 0.33 0.13 1.11 0.24 -1.26 -2.45 118.33 122.92 2k42 n VAL 22 Ca 0.10 -0.25 0.12 0.00 -2.04 0.00 0.00 64.34 62.27 2k42 n VAL 22 Cb 0.48 -0.11 0.04 0.00 -1.47 0.00 0.00 33.84 32.78 2k42 n VAL 22 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2k42 h ASN 23 N 0.00 0.00 -1.57 -1.34 -1.07 -2.02 -3.35 115.58 106.23 2k42 h ASN 23 Ca 0.00 -0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 2k42 h ASN 23 Cb 0.72 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 36.56 2k42 h ASN 23 CO 0.00 0.00 -0.86 0.59 0.07 0.00 0.00 177.43 177.23 2k42 n ASN 24 N -2.77 3.61 -4.73 6.14 3.02 -1.20 -5.07 115.26 114.25 2k42 n ASN 24 Ca 0.01 -3.42 -0.41 0.00 -0.03 0.00 0.00 54.58 50.73 2k42 n ASN 24 Cb 0.54 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k42 s LEU 25 N -3.34 4.51 0.25 3.41 1.43 -1.02 -4.84 118.68 119.07 2k42 s LEU 25 Ca 0.43 1.79 -0.31 0.00 -1.03 0.00 0.00 54.13 55.01 2k42 s LEU 25 Cb 0.39 -3.57 -0.12 0.00 0.03 0.00 0.00 46.19 42.91 2k42 s LEU 25 CO -0.12 -0.04 1.62 -0.67 0.23 0.00 0.00 176.35 177.38 2k42 n ASP 26 N 2.65 3.75 -0.29 2.29 -0.08 -1.26 -4.74 116.55 118.87 2k42 n ASP 26 Ca 0.02 1.11 -0.01 0.00 -1.51 0.00 0.00 54.79 54.39 2k42 n ASP 26 Cb 0.49 -1.56 0.05 0.00 2.34 0.00 0.00 41.12 42.44 2k42 n ASP 26 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2k42 h PRO 27 N 5.55 -0.06 -0.28 -0.67 0.11 -1.98 0.61 132.00 135.29 2k42 h PRO 27 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 2k42 h PRO 27 Cb 1.22 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2k42 h PRO 27 CO 0.86 -0.04 -0.21 -0.44 -0.21 0.00 0.00 178.00 177.96 2k42 h ASP 28 N -0.06 0.66 -0.78 -2.05 3.32 -1.99 -0.96 116.42 114.57 2k42 h ASP 28 Ca 0.32 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2k42 h ASP 28 Cb 0.59 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 2k42 h ASP 28 CO -0.83 0.97 0.46 -0.07 -1.72 0.00 0.00 179.24 178.04 2k42 h LEU 29 N 0.36 0.94 -0.63 1.55 3.38 -1.65 0.18 115.31 119.45 2k42 h LEU 29 Ca 0.05 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2k42 h LEU 29 Cb 0.75 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2k42 h LEU 29 CO 0.06 0.73 0.40 -0.09 0.09 0.00 0.00 178.44 179.63 2k42 h ARG 30 N 1.06 0.77 -0.05 1.13 1.12 0.40 0.13 114.38 118.93 2k42 h ARG 30 Ca 0.28 -0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 59.10 2k42 h ARG 30 Cb -0.03 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 29.76 2k42 h ARG 30 CO -0.05 0.51 0.03 1.03 -3.11 0.00 0.00 179.97 178.37 2k42 h SER 31 N 0.79 0.07 0.81 -3.80 0.87 -0.60 -2.91 113.55 108.78 2k42 h SER 31 Ca 0.24 -0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2k42 h SER 31 Cb -0.02 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2k42 h SER 31 CO -0.08 0.17 -0.44 0.25 -0.53 0.00 0.00 176.83 176.19 2k42 h LEU 32 N -0.03 -1.09 -1.67 2.23 5.85 -0.08 -2.25 115.31 118.27 2k42 h LEU 32 Ca 0.02 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2k42 h LEU 32 Cb 0.12 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2k42 h LEU 32 CO -0.00 -0.71 0.19 -0.26 -0.34 0.00 0.00 178.44 177.31 2k42 h PHE 33 N -1.15 0.39 -0.51 1.25 0.04 -0.86 0.49 116.94 116.59 2k42 h PHE 33 Ca -0.11 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.60 2k42 h PHE 33 Cb 0.90 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 2k42 h PHE 33 CO -0.03 0.26 0.05 1.03 -0.60 0.00 0.00 178.31 179.01 2k42 h SER 34 N 0.42 0.84 -0.10 2.17 0.87 -1.44 -2.10 113.55 114.20 2k42 h SER 34 Ca 0.11 -0.28 -0.05 0.00 -1.23 0.00 0.00 61.79 60.34 2k42 h SER 34 Cb -0.02 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2k42 h SER 34 CO -0.02 0.91 -0.07 0.03 -0.53 0.00 0.00 176.83 177.15 2k42 h ARG 35 N 0.73 0.38 0.00 2.24 3.08 -0.35 -2.76 114.38 117.69 2k42 h ARG 35 Ca 0.15 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2k42 h ARG 35 Cb 0.45 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2k42 h ARG 35 CO 0.02 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 2k42 n ALA 36 N -2.48 2.20 -0.64 0.04 0.00 -0.27 -4.86 120.51 114.49 2k42 n ALA 36 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k42 n ALA 36 Cb 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 0.96 0.79 3.59 0.00 0.00 -1.04 -4.99 105.19 104.49 2k42 n GLY 37 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.97 3.64 0.76 -0.61 1.01 -0.83 -4.99 121.20 117.22 2k42 s ILE 38 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 60.65 61.14 2k42 s ILE 38 Cb 0.00 -3.92 0.06 0.00 0.01 0.00 0.00 42.46 38.61 2k42 s ILE 38 CO 0.00 -0.62 1.19 -0.55 0.00 0.00 0.00 174.94 174.96 2k42 s SER 39 N 5.37 3.98 0.45 3.58 0.15 -1.26 -4.47 113.70 121.50 2k42 s SER 39 Ca 0.70 2.31 0.14 0.00 0.70 0.00 0.00 55.95 59.81 2k42 s SER 39 Cb -0.18 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.62 2k42 s SER 39 CO 0.32 -2.40 2.02 -0.08 1.20 0.00 0.00 173.24 174.29 2k42 h GLU 40 N -0.60 0.33 0.00 5.44 4.81 -1.97 0.22 114.58 122.81 2k42 h GLU 40 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2k42 h GLU 40 Cb 1.29 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2k42 h GLU 40 CO 0.48 0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.98 2k42 h ALA 41 N 1.75 1.00 0.00 2.92 0.00 -1.98 -2.50 119.26 120.45 2k42 h ALA 41 Ca 0.22 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2k42 h ALA 41 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2k42 h ALA 41 CO -0.05 0.00 -1.31 1.96 0.00 0.00 0.00 179.25 179.85 2k42 h GLN 42 N 0.00 0.00 0.00 0.00 4.20 -0.90 -2.49 115.11 115.92 2k42 h GLN 42 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k42 h GLN 42 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 2k42 h GLN 42 CO 0.00 0.32 0.00 1.28 -0.67 0.00 0.00 178.83 179.76 2k42 n LEU 43 N -2.93 0.00 -0.50 1.46 4.77 -0.95 -2.00 117.00 116.85 2k42 n LEU 43 Ca -0.08 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 2k42 n LEU 43 Cb 0.83 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 2k42 n LEU 43 CO 0.43 -0.05 0.47 0.35 -1.33 0.00 0.00 177.39 177.26 2k42 n THR 44 N -1.35 0.19 -2.35 -5.08 -2.24 -1.14 0.82 114.28 103.13 2k42 n THR 44 Ca 0.11 -0.60 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 2k42 n THR 44 Cb 0.24 1.09 -0.02 0.00 -2.10 0.00 0.00 70.33 69.54 2k42 n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k42 s ASP 45 N -0.96 6.32 -0.02 3.42 2.15 -0.84 -4.48 116.67 122.26 2k42 s ASP 45 Ca 0.15 1.73 -0.18 0.00 0.43 0.00 0.00 52.55 54.68 2k42 s ASP 45 Cb 0.10 -2.53 -0.10 0.00 -0.30 0.00 0.00 42.92 40.09 2k42 s ASP 45 CO 0.15 -0.79 0.79 0.00 -0.17 0.00 0.00 175.17 175.14 2k42 h ALA 46 N 0.98 -0.69 0.23 3.66 0.00 -1.86 -3.12 119.26 118.45 2k42 h ALA 46 Ca -0.48 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 53.97 2k42 h ALA 46 Cb 1.20 0.25 0.03 0.00 0.00 0.00 0.00 17.79 19.28 2k42 h ALA 46 CO 0.60 -0.64 -1.43 1.05 0.00 0.00 0.00 179.25 178.82 2k42 h GLU 47 N -1.11 0.51 -0.21 0.00 4.11 -1.91 -2.86 114.58 113.12 2k42 h GLU 47 Ca -0.07 -0.85 0.05 0.00 0.07 0.00 0.00 59.36 58.56 2k42 h GLU 47 Cb 0.50 0.32 -0.06 0.00 0.50 0.00 0.00 28.75 30.01 2k42 h GLU 47 CO 0.11 1.41 -0.15 1.15 0.07 0.00 0.00 179.01 181.60 2k42 h THR 48 N 0.15 0.58 -0.86 -1.06 2.02 -1.82 0.20 112.91 112.12 2k42 h THR 48 Ca -0.23 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 2k42 h THR 48 Cb 2.12 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 2k42 h THR 48 CO 0.26 0.00 0.44 0.28 0.37 0.00 0.00 175.52 176.88 2k42 h SER 49 N -0.14 1.10 -0.53 4.18 0.02 -1.58 -0.46 113.55 116.15 2k42 h SER 49 Ca 0.12 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2k42 h SER 49 Cb 0.33 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k42 h SER 49 CO -0.30 0.91 0.06 0.50 -1.14 0.00 0.00 176.83 176.86 2k42 h LYS 50 N 1.22 0.89 -0.14 3.45 3.64 -1.06 0.64 116.57 125.22 2k42 h LYS 50 Ca 0.30 -0.25 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2k42 h LYS 50 Cb 0.08 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2k42 h LYS 50 CO -0.04 0.89 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.49 2k42 h LEU 51 N 0.78 0.36 -0.33 5.20 -0.00 -0.36 0.24 115.31 121.20 2k42 h LEU 51 Ca 0.16 -0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2k42 h LEU 51 Cb 0.44 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2k42 h LEU 51 CO 0.02 0.77 0.11 0.40 -0.00 0.00 0.00 178.44 179.74 2k42 h ILE 52 N 0.27 1.20 -0.40 1.22 2.04 -0.78 0.37 117.51 121.43 2k42 h ILE 52 Ca 0.02 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 2k42 h ILE 52 Cb 0.92 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2k42 h ILE 52 CO 0.08 0.22 0.19 0.22 0.00 0.00 0.00 178.15 178.86 2k42 h TYR 53 N 0.38 0.58 -0.72 1.37 3.20 -0.59 -0.02 116.97 121.18 2k42 h TYR 53 Ca 0.11 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2k42 h TYR 53 Cb 0.23 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2k42 h TYR 53 CO 0.00 0.48 0.47 0.22 -1.64 0.00 0.00 178.16 177.70 2k42 h ASP 54 N 0.51 0.77 -0.15 -2.11 1.82 -0.43 0.33 116.42 117.16 2k42 h ASP 54 Ca 0.14 -0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2k42 h ASP 54 Cb 0.12 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 2k42 h ASP 54 CO -0.02 0.54 0.05 0.15 -1.61 0.00 0.00 179.24 178.35 2k42 h PHE 55 N 0.90 0.08 -0.31 0.28 3.57 0.58 0.65 116.94 122.70 2k42 h PHE 55 Ca 0.28 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 2k42 h PHE 55 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2k42 h PHE 55 CO -0.00 0.04 0.09 0.82 -2.23 0.00 0.00 178.31 177.03 2k42 h ILE 56 N 0.12 1.21 -0.89 1.41 2.04 -0.25 -2.56 117.51 118.58 2k42 h ILE 56 Ca 0.06 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.30 2k42 h ILE 56 Cb 0.04 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2k42 h ILE 56 CO -0.07 0.23 0.57 -0.33 0.00 0.00 0.00 178.15 178.55 2k42 h GLU 57 N 0.33 1.04 -0.43 2.37 4.39 -0.17 -0.51 114.58 121.60 2k42 h GLU 57 Ca 0.10 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2k42 h GLU 57 Cb 0.26 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2k42 h GLU 57 CO -0.00 0.69 0.29 0.22 -1.16 0.00 0.00 179.01 179.04 2k42 h ASP 58 N 1.07 0.45 1.55 1.42 3.58 0.66 -1.11 116.42 124.03 2k42 h ASP 58 Ca 0.37 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.81 2k42 h ASP 58 Cb 0.09 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2k42 h ASP 58 CO -0.15 0.32 0.00 1.56 -2.88 0.00 0.00 179.24 178.09 2k42 h GLN 59 N 0.52 0.00 0.00 0.28 1.08 -1.02 -3.46 115.11 112.51 2k42 h GLN 59 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 2k42 h GLN 59 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2k42 h GLN 59 CO -0.04 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.25 2k42 n GLY 60 N 0.72 1.13 0.00 3.46 0.00 -0.42 -4.83 105.19 105.25 2k42 n GLY 60 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.60 0.22 -0.02 0.00 -0.26 -4.81 105.19 100.80 2k42 n GLY 61 Ca 0.00 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.73 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 0.84 -1.64 0.99 4.07 -1.91 -2.91 115.31 114.75 2k42 h LEU 62 Ca 0.00 -0.52 0.08 0.00 0.08 0.00 0.00 57.88 57.53 2k42 h LEU 62 Cb 0.00 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 2k42 h LEU 62 CO 0.00 1.19 0.38 -0.33 -1.08 0.00 0.00 178.44 178.60 2k42 h GLU 63 N 0.51 0.41 -0.12 1.13 3.07 -1.87 -2.49 114.58 115.22 2k42 h GLU 63 Ca 0.02 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2k42 h GLU 63 Cb 1.02 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 2k42 h GLU 63 CO 0.10 0.27 -0.13 0.00 -1.40 0.00 0.00 179.01 177.85 2k42 h ALA 64 N 1.71 0.18 0.00 3.43 0.00 -1.83 -3.07 119.26 119.68 2k42 h ALA 64 Ca 0.25 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2k42 h ALA 64 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k42 h ALA 64 CO -0.07 0.04 -0.35 -0.39 0.00 0.00 0.00 179.25 178.48 2k42 h VAL 65 N -0.10 1.12 0.00 0.00 -1.51 -1.43 -0.92 116.25 113.41 2k42 h VAL 65 Ca 0.02 -1.27 -0.02 0.00 -1.23 0.00 0.00 66.70 64.20 2k42 h VAL 65 Cb 0.66 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.53 2k42 h VAL 65 CO 0.03 0.35 -0.08 0.03 -1.23 0.00 0.00 177.57 176.66 2k42 h ARG 66 N 0.00 0.00 0.00 5.19 3.08 -1.47 -2.63 114.38 118.55 2k42 h ARG 66 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.81 2k42 h ARG 66 Cb 0.68 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 2k42 h ARG 66 CO 0.05 0.08 -1.36 1.96 -1.07 0.00 0.00 179.97 179.63 2k42 h GLN 67 N 0.00 0.00 -0.31 0.04 4.20 -1.09 -3.28 115.11 114.66 2k42 h GLN 67 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2k42 h GLN 67 Cb 0.60 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2k42 h GLN 67 CO 0.01 0.65 0.21 0.93 -0.67 0.00 0.00 178.83 179.96 2k42 h GLU 68 N 0.00 0.37 -0.21 1.46 4.39 -1.03 0.12 114.58 119.68 2k42 h GLU 68 Ca -0.16 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.58 2k42 h GLU 68 Cb 1.85 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.41 2k42 h GLU 68 CO 0.09 0.24 0.32 0.52 -1.16 0.00 0.00 179.01 179.03 2k42 h MET 69 N 0.38 0.00 0.00 2.33 2.86 -1.60 0.38 114.93 119.28 2k42 h MET 69 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2k42 h MET 69 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2k42 h MET 69 CO -0.03 0.00 -0.18 2.89 1.06 0.00 0.00 176.91 180.66 2k42 n ARG 70 N -3.47 0.86 0.00 1.72 1.85 -0.05 -4.92 116.66 112.65 2k42 n ARG 70 Ca 0.03 -1.96 0.00 0.00 -1.00 0.00 0.00 57.85 54.92 2k42 n ARG 70 Cb 0.44 -1.12 0.00 0.00 -1.05 0.00 0.00 32.46 30.74 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 -0.88 0.00 0.00 2.89 0.63 0.21 -5.07 116.66 114.44 2k42 n ARG 71 Ca 0.10 0.00 0.10 0.00 -0.92 0.00 0.00 57.85 57.13 2k42 n ARG 71 Cb 0.65 0.00 0.08 0.00 0.45 0.00 0.00 32.46 33.64 2k42 n ARG 71 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16