#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 0.00 -4.40 1.61 8.25 -1.26 -4.81 115.22 114.61 2k42 n HIS 2 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2k42 n HIS 2 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 2k42 n HIS 2 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2k42 s MET 3 N 0.00 2.05 -0.57 -0.41 1.00 -1.26 -5.10 119.30 115.01 2k42 s MET 3 Ca 0.00 -1.91 0.05 0.00 0.00 0.00 0.00 55.69 53.83 2k42 s MET 3 Cb 0.00 -1.82 0.19 0.00 0.00 0.00 0.00 34.83 33.19 2k42 s MET 3 CO 0.00 0.01 0.48 0.43 0.00 0.00 0.00 175.02 175.94 2k42 n SER 4 N -1.02 1.67 0.00 3.03 7.64 -1.26 -5.00 113.62 118.68 2k42 n SER 4 Ca -0.04 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.93 2k42 n SER 4 Cb 0.65 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2k42 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k42 n GLY 5 N 2.06 0.43 3.04 0.23 0.00 -1.26 -4.71 105.19 104.98 2k42 n GLY 5 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2k42 n GLY 5 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k42 n PHE 6 N -0.45 3.82 -1.32 1.61 7.35 -1.26 -4.69 117.46 122.53 2k42 n PHE 6 Ca 0.00 -2.85 -0.34 0.00 -0.76 0.00 0.00 57.45 53.50 2k42 n PHE 6 Cb 0.00 -2.55 0.08 0.00 0.35 0.00 0.00 39.48 37.35 2k42 n PHE 6 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2k42 n LYS 7 N 6.94 2.63 -3.33 -4.13 4.76 -1.26 -4.72 118.16 119.05 2k42 n LYS 7 Ca 0.51 -3.18 -0.29 0.00 -2.87 0.00 0.00 58.31 52.48 2k42 n LYS 7 Cb 0.42 -2.25 -0.07 0.00 -1.84 0.00 0.00 35.03 31.29 2k42 n LYS 7 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2k42 n HIS 8 N -0.82 3.56 0.00 2.13 -0.00 -1.26 -4.66 115.22 114.16 2k42 n HIS 8 Ca 0.61 -3.97 0.00 0.00 0.46 0.00 0.00 57.72 54.81 2k42 n HIS 8 Cb 0.64 -0.63 0.00 0.00 -0.12 0.00 0.00 29.99 29.89 2k42 n HIS 8 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2k42 n VAL 9 N 0.78 0.00 0.86 3.57 0.24 -1.26 -4.74 118.33 117.78 2k42 n VAL 9 Ca 0.30 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.68 2k42 n VAL 9 Cb 0.40 -0.06 0.43 0.00 -1.47 0.00 0.00 33.84 33.14 2k42 n VAL 9 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k42 n SER 10 N -0.73 0.00 0.00 -1.34 7.64 -1.26 -4.79 113.62 113.13 2k42 n SER 10 Ca 0.00 -0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2k42 n SER 10 Cb 0.08 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.15 0.00 0.00 1.43 8.25 -1.26 -4.33 115.22 118.16 2k42 n HIS 11 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 2k42 n HIS 11 Cb 0.09 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.63 2k42 n HIS 11 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2k42 n VAL 12 N -2.00 0.00 0.00 1.59 3.14 -1.26 -2.85 118.33 116.95 2k42 n VAL 12 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2k42 n VAL 12 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k42 n GLY 13 N 0.00 1.02 3.34 7.55 0.00 -1.26 -4.82 105.19 111.02 2k42 n GLY 13 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.12 2.68 -0.05 1.61 -0.00 -1.13 -1.76 118.94 119.17 2k42 s TRP 14 Ca 0.00 -0.66 0.04 0.00 -0.00 0.00 0.00 56.10 55.48 2k42 s TRP 14 Cb 0.00 -1.74 -0.03 0.00 -0.00 0.00 0.00 33.47 31.70 2k42 s TRP 14 CO 0.00 -0.19 -0.15 0.34 -0.00 0.00 0.00 176.95 176.95 2k42 s ASP 15 N 0.09 4.01 0.09 5.86 2.15 0.19 -4.93 116.67 124.12 2k42 s ASP 15 Ca -0.08 -0.21 -0.17 0.00 0.43 0.00 0.00 52.55 52.53 2k42 s ASP 15 Cb -0.15 -0.83 -0.04 0.00 -0.30 0.00 0.00 42.92 41.60 2k42 s ASP 15 CO 0.05 0.34 0.98 -2.65 -0.17 0.00 0.00 175.17 173.73 2k42 n PRO 16 N 2.28 -0.24 -0.08 4.34 -0.01 -1.26 0.31 135.00 140.34 2k42 n PRO 16 Ca -0.17 0.96 -0.08 0.00 -0.01 0.00 0.00 63.50 64.20 2k42 n PRO 16 Cb 0.52 -1.42 -0.12 0.00 -0.01 0.00 0.00 33.50 32.46 2k42 n PRO 16 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 2k42 n GLN 17 N -4.39 1.39 -0.00 -0.52 6.02 -1.26 -4.46 117.38 114.16 2k42 n GLN 17 Ca 0.01 -0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.97 2k42 n GLN 17 Cb 0.14 -1.41 0.22 0.00 1.02 0.00 0.00 30.24 30.22 2k42 n GLN 17 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2k42 h ASN 18 N 0.00 0.51 -2.40 1.08 -0.73 -1.85 -3.37 115.58 108.83 2k42 h ASN 18 Ca -0.43 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 57.59 2k42 h ASN 18 Cb 1.97 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 40.42 2k42 h ASN 18 CO 0.02 0.70 0.00 0.61 -0.37 0.00 0.00 177.43 178.39 2k42 n GLY 19 N -0.53 -1.80 3.67 1.57 0.00 0.15 -4.31 105.19 103.94 2k42 n GLY 19 Ca 0.00 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 2.83 -0.17 1.61 0.08 0.12 -0.64 117.98 121.80 2k42 s PHE 20 Ca 0.00 0.91 -0.29 0.00 0.12 0.00 0.00 56.93 57.67 2k42 s PHE 20 Cb 0.00 -3.57 -0.02 0.00 -0.57 0.00 0.00 43.02 38.86 2k42 s PHE 20 CO 0.00 -2.05 1.31 0.34 -0.10 0.00 0.00 175.22 174.72 2k42 s ASP 21 N 2.00 6.88 0.14 1.36 -1.08 -0.72 -4.16 116.67 121.09 2k42 s ASP 21 Ca 0.59 1.70 0.22 0.00 -0.52 0.00 0.00 52.55 54.54 2k42 s ASP 21 Cb -0.26 -2.54 0.87 0.00 -1.46 0.00 0.00 42.92 39.54 2k42 s ASP 21 CO 0.21 -0.81 1.67 1.33 0.52 0.00 0.00 175.17 178.09 2k42 n VAL 22 N 5.48 0.75 0.08 1.11 0.24 -1.26 -2.46 118.33 122.26 2k42 n VAL 22 Ca 0.14 0.13 -0.09 0.00 -2.04 0.00 0.00 64.34 62.49 2k42 n VAL 22 Cb 0.45 -0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 31.80 2k42 n VAL 22 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2k42 h ASN 23 N 0.00 0.14 -0.01 -1.34 2.35 -2.00 -3.30 115.58 111.42 2k42 h ASN 23 Ca 0.00 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 2k42 h ASN 23 Cb 0.40 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2k42 h ASN 23 CO 0.00 1.03 -0.51 -0.46 -1.65 0.00 0.00 177.43 175.85 2k42 n ASN 24 N -3.50 1.75 -4.65 5.81 0.23 -1.08 -5.02 115.26 108.81 2k42 n ASN 24 Ca -0.02 -3.90 -0.42 0.00 -0.53 0.00 0.00 54.58 49.70 2k42 n ASN 24 Cb 0.90 -0.53 -0.03 0.00 -2.08 0.00 0.00 39.78 38.04 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2k42 s LEU 25 N -3.23 4.14 0.24 -4.53 1.43 -1.03 -4.94 118.68 110.75 2k42 s LEU 25 Ca 0.38 2.10 -0.31 0.00 -1.03 0.00 0.00 54.13 55.27 2k42 s LEU 25 Cb 0.37 -3.53 -0.13 0.00 0.03 0.00 0.00 46.19 42.93 2k42 s LEU 25 CO -0.07 -1.14 1.40 -0.67 0.23 0.00 0.00 176.35 176.10 2k42 n ASP 26 N 8.01 2.72 -0.17 2.29 -0.08 -1.26 -4.64 116.55 123.42 2k42 n ASP 26 Ca 0.19 1.14 0.29 0.00 -1.51 0.00 0.00 54.79 54.91 2k42 n ASP 26 Cb 0.43 -1.42 0.71 0.00 2.34 0.00 0.00 41.12 43.19 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 4.21 0.00 0.01 -0.67 0.11 -1.98 0.32 132.00 134.01 2k42 h PRO 27 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 2k42 h PRO 27 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 2k42 h PRO 27 CO 0.76 0.00 -0.58 -0.44 -0.21 0.00 0.00 178.00 177.53 2k42 h ASP 28 N 0.00 0.49 -0.20 -2.05 3.32 -1.99 -1.76 116.42 114.23 2k42 h ASP 28 Ca 0.43 -0.78 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 2k42 h ASP 28 Cb 1.89 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 2k42 h ASP 28 CO -0.00 1.21 0.09 -0.07 -1.72 0.00 0.00 179.24 178.75 2k42 h LEU 29 N -0.18 0.26 -0.96 1.55 3.38 -1.16 -0.07 115.31 118.14 2k42 h LEU 29 Ca -0.08 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 57.86 2k42 h LEU 29 Cb 1.31 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.92 2k42 h LEU 29 CO 0.11 0.32 0.60 -0.09 0.09 0.00 0.00 178.44 179.47 2k42 h ARG 30 N 0.19 0.98 0.36 1.13 9.65 -0.58 0.17 114.38 126.28 2k42 h ARG 30 Ca 0.07 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2k42 h ARG 30 Cb 0.13 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.49 2k42 h ARG 30 CO -0.01 0.65 -0.17 1.03 2.80 0.00 0.00 179.97 184.27 2k42 h SER 31 N 1.01 -0.41 -0.04 -3.80 0.87 -0.91 -3.09 113.55 107.17 2k42 h SER 31 Ca 0.45 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2k42 h SER 31 Cb 0.33 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2k42 h SER 31 CO -0.22 -0.17 0.02 0.25 -0.53 0.00 0.00 176.83 176.17 2k42 h LEU 32 N -0.63 0.06 -0.16 2.23 5.85 -0.39 -2.03 115.31 120.24 2k42 h LEU 32 Ca -0.05 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2k42 h LEU 32 Cb 0.46 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2k42 h LEU 32 CO 0.08 0.17 0.03 -0.26 -0.34 0.00 0.00 178.44 178.12 2k42 h PHE 33 N -0.06 0.27 0.00 1.25 0.04 -1.08 0.27 116.94 117.63 2k42 h PHE 33 Ca 0.01 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 2k42 h PHE 33 Cb 0.13 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 2k42 h PHE 33 CO -0.03 0.41 -0.15 0.77 -0.60 0.00 0.00 178.31 178.71 2k42 h SER 34 N 0.06 0.00 1.55 2.17 0.02 -1.51 0.13 113.55 115.96 2k42 h SER 34 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2k42 h SER 34 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2k42 h SER 34 CO 0.00 0.15 -0.01 -0.09 -1.14 0.00 0.00 176.83 175.74 2k42 h ARG 35 N 0.00 0.00 -0.37 3.45 2.43 -0.51 -3.15 114.38 116.24 2k42 h ARG 35 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k42 h ARG 35 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2k42 h ARG 35 CO 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 2k42 n ALA 36 N -1.84 3.13 0.00 2.80 0.00 0.85 -4.94 120.51 120.52 2k42 n ALA 36 Ca 0.05 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.41 2k42 n ALA 36 Cb 0.45 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.06 2.97 3.58 0.00 0.00 -0.85 -4.95 105.19 105.87 2k42 n GLY 37 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.61 3.25 0.85 -0.61 1.01 0.22 -4.92 121.20 119.38 2k42 s ILE 38 Ca 0.00 0.21 -0.12 0.00 0.00 0.00 0.00 60.65 60.74 2k42 s ILE 38 Cb 0.00 -3.45 0.10 0.00 0.01 0.00 0.00 42.46 39.12 2k42 s ILE 38 CO 0.00 -0.36 1.16 -0.55 0.00 0.00 0.00 174.94 175.18 2k42 s SER 39 N 8.46 4.11 0.23 3.58 0.15 -1.26 -3.25 113.70 125.72 2k42 s SER 39 Ca 0.85 0.89 -0.06 0.00 0.70 0.00 0.00 55.95 58.33 2k42 s SER 39 Cb -0.21 -1.44 0.38 0.00 -1.71 0.00 0.00 66.02 63.05 2k42 s SER 39 CO 0.29 -2.17 1.75 -0.33 1.20 0.00 0.00 173.24 173.98 2k42 h GLU 40 N -1.23 0.47 -0.09 5.44 5.08 -1.98 0.26 114.58 122.53 2k42 h GLU 40 Ca -0.48 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2k42 h GLU 40 Cb 1.33 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k42 h GLU 40 CO 0.64 0.31 0.11 0.00 -1.00 0.00 0.00 179.01 179.07 2k42 h ALA 41 N 1.49 1.62 0.02 3.43 0.00 -1.96 -1.03 119.26 122.82 2k42 h ALA 41 Ca 0.37 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 2k42 h ALA 41 Cb 0.50 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k42 h ALA 41 CO -0.34 -0.16 -1.20 1.96 0.00 0.00 0.00 179.25 179.51 2k42 h GLN 42 N 0.00 0.05 0.00 0.00 4.20 -1.29 -1.40 115.11 116.66 2k42 h GLN 42 Ca 0.04 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2k42 h GLN 42 Cb 0.26 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2k42 h GLN 42 CO -0.00 0.93 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.75 2k42 h LEU 43 N 0.01 0.00 -2.57 1.46 -0.00 -1.01 -1.96 115.31 111.24 2k42 h LEU 43 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2k42 h LEU 43 Cb 1.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.51 2k42 h LEU 43 CO 0.13 0.27 0.00 0.35 -0.00 0.00 0.00 178.44 179.19 2k42 n THR 44 N -4.04 1.15 -3.39 0.22 -2.24 -1.00 0.11 114.28 105.09 2k42 n THR 44 Ca -0.02 -0.94 -0.38 0.00 -2.27 0.00 0.00 64.05 60.44 2k42 n THR 44 Cb 0.33 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.95 6.85 0.01 3.42 2.15 -0.55 -4.67 116.67 122.93 2k42 s ASP 45 Ca 0.45 1.01 -0.05 0.00 0.43 0.00 0.00 52.55 54.39 2k42 s ASP 45 Cb 0.25 -2.29 -0.02 0.00 -0.30 0.00 0.00 42.92 40.56 2k42 s ASP 45 CO 0.27 0.23 1.08 0.00 -0.17 0.00 0.00 175.17 176.58 2k42 h ALA 46 N 5.16 -0.87 -0.41 3.66 0.00 -1.86 -1.38 119.26 123.55 2k42 h ALA 46 Ca -0.48 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 2k42 h ALA 46 Cb 1.21 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2k42 h ALA 46 CO 0.65 -0.87 -0.34 1.05 0.00 0.00 0.00 179.25 179.75 2k42 h GLU 47 N -0.15 0.96 0.04 0.00 9.09 -1.92 -2.87 114.58 119.73 2k42 h GLU 47 Ca -0.01 -0.48 0.02 0.00 0.05 0.00 0.00 59.36 58.94 2k42 h GLU 47 Cb 0.12 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.20 2k42 h GLU 47 CO 0.00 1.14 -0.16 1.15 0.05 0.00 0.00 179.01 181.19 2k42 h THR 48 N 0.79 0.62 -0.52 -1.06 2.02 -1.81 -2.18 112.91 110.77 2k42 h THR 48 Ca 0.08 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.16 2k42 h THR 48 Cb 0.93 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2k42 h THR 48 CO 0.09 0.00 -0.05 0.77 0.37 0.00 0.00 175.52 176.70 2k42 h SER 49 N -0.29 0.89 -0.74 4.18 4.64 -1.22 -2.59 113.55 118.42 2k42 h SER 49 Ca 0.04 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.06 2k42 h SER 49 Cb 0.33 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.15 2k42 h SER 49 CO -0.12 0.98 0.29 0.50 -0.87 0.00 0.00 176.83 177.61 2k42 h LYS 50 N 0.83 1.12 0.00 4.77 3.64 -1.26 -0.28 116.57 125.39 2k42 h LYS 50 Ca 0.15 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2k42 h LYS 50 Cb 0.56 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2k42 h LYS 50 CO 0.03 0.91 -0.67 -0.07 -2.27 0.00 0.00 179.45 177.39 2k42 h LEU 51 N 1.09 0.00 -0.41 5.20 -0.00 -1.26 -0.43 115.31 119.51 2k42 h LEU 51 Ca 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.11 2k42 h LEU 51 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.86 2k42 h LEU 51 CO -0.02 0.67 0.16 0.40 -0.00 0.00 0.00 178.44 179.64 2k42 h ILE 52 N 0.00 1.20 -0.63 1.22 2.04 -1.00 0.43 117.51 120.77 2k42 h ILE 52 Ca -0.01 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2k42 h ILE 52 Cb 1.23 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2k42 h ILE 52 CO 0.09 0.23 0.36 0.22 0.00 0.00 0.00 178.15 179.05 2k42 h TYR 53 N 0.51 0.85 -0.73 1.37 3.20 -0.84 0.02 116.97 121.35 2k42 h TYR 53 Ca 0.14 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2k42 h TYR 53 Cb 0.20 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2k42 h TYR 53 CO 0.00 0.59 0.36 0.22 -1.64 0.00 0.00 178.16 177.69 2k42 h ASP 54 N 0.86 0.96 -0.05 -2.11 3.58 -0.94 -2.35 116.42 116.36 2k42 h ASP 54 Ca 0.22 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.57 2k42 h ASP 54 Cb 0.01 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 2k42 h ASP 54 CO -0.04 0.82 -0.12 0.15 -2.88 0.00 0.00 179.24 177.17 2k42 h PHE 55 N 1.03 -0.29 -0.83 0.28 3.57 0.69 0.14 116.94 121.52 2k42 h PHE 55 Ca 0.25 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2k42 h PHE 55 Cb 0.11 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2k42 h PHE 55 CO 0.01 -0.17 0.48 0.82 -2.23 0.00 0.00 178.31 177.21 2k42 h ILE 56 N -0.17 1.24 -0.40 1.41 2.04 -0.90 -1.99 117.51 118.73 2k42 h ILE 56 Ca 0.06 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 2k42 h ILE 56 Cb 0.25 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2k42 h ILE 56 CO -0.15 0.26 -0.02 -0.08 0.00 0.00 0.00 178.15 178.16 2k42 h GLU 57 N 1.16 0.72 -0.33 2.37 4.57 -1.06 -2.06 114.58 119.94 2k42 h GLU 57 Ca 0.30 -0.24 0.07 0.00 -1.18 0.00 0.00 59.36 58.31 2k42 h GLU 57 Cb -0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 2k42 h GLU 57 CO -0.05 0.82 0.23 0.22 -1.18 0.00 0.00 179.01 179.05 2k42 h ASP 58 N 0.55 0.13 0.16 1.04 3.58 0.01 0.13 116.42 122.01 2k42 h ASP 58 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2k42 h ASP 58 Cb 0.50 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k42 h ASP 58 CO 0.02 0.08 -0.03 0.00 -2.88 0.00 0.00 179.24 176.44 2k42 n GLN 59 N -4.47 0.98 0.00 0.28 1.13 -0.97 -4.85 117.38 109.48 2k42 n GLN 59 Ca 0.04 -0.24 0.00 0.00 -1.94 0.00 0.00 57.00 54.86 2k42 n GLN 59 Cb 0.30 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 1.14 2.06 0.00 1.08 0.00 0.03 -4.82 105.19 104.67 2k42 n GLY 60 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.04 0.11 0.33 -0.02 0.00 -0.79 -4.86 105.19 99.93 2k42 n GLY 61 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.25 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 0.76 -0.37 0.99 3.38 -1.83 -1.51 115.31 116.73 2k42 h LEU 62 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k42 h LEU 62 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2k42 h LEU 62 CO 0.00 0.57 0.00 -0.33 0.09 0.00 0.00 178.44 178.77 2k42 h GLU 63 N 0.89 0.00 0.67 1.13 4.39 -1.88 -3.24 114.58 116.54 2k42 h GLU 63 Ca 0.23 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 2k42 h GLU 63 Cb -0.06 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2k42 h GLU 63 CO -0.05 0.00 -0.32 0.00 -1.16 0.00 0.00 179.01 177.48 2k42 h ALA 64 N 2.12 -0.91 0.00 3.43 0.00 -1.59 -0.51 119.26 121.81 2k42 h ALA 64 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2k42 h ALA 64 Cb 0.79 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2k42 h ALA 64 CO 0.00 -0.91 -0.18 -0.39 0.00 0.00 0.00 179.25 177.77 2k42 h VAL 65 N -1.11 0.38 0.00 0.00 -1.51 -1.70 -1.96 116.25 110.35 2k42 h VAL 65 Ca -0.09 -1.19 -0.07 0.00 -1.23 0.00 0.00 66.70 64.12 2k42 h VAL 65 Cb 0.73 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2k42 h VAL 65 CO 0.15 0.18 -0.33 -0.09 -1.23 0.00 0.00 177.57 176.25 2k42 h ARG 66 N 0.00 0.00 0.00 5.19 2.43 -1.55 -2.71 114.38 117.75 2k42 h ARG 66 Ca -0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.93 2k42 h ARG 66 Cb 0.88 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 2k42 h ARG 66 CO 0.02 0.33 -1.44 1.96 -1.51 0.00 0.00 179.97 179.34 2k42 h GLN 67 N 0.00 0.00 0.00 0.20 1.08 -0.38 -3.35 115.11 112.67 2k42 h GLN 67 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k42 h GLN 67 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 2k42 h GLN 67 CO 0.04 0.52 0.00 0.93 -0.95 0.00 0.00 178.83 179.37 2k42 h GLU 68 N 0.00 0.00 -0.21 1.46 5.08 -1.05 0.22 114.58 120.09 2k42 h GLU 68 Ca -0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2k42 h GLU 68 Cb 1.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 2k42 h GLU 68 CO 0.08 0.00 0.05 0.52 -1.00 0.00 0.00 179.01 178.66 2k42 h MET 69 N 0.00 0.29 -0.15 2.33 2.86 -1.69 -1.35 114.93 117.23 2k42 h MET 69 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2k42 h MET 69 Cb 0.10 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2k42 h MET 69 CO 0.00 0.27 0.00 0.54 1.06 0.00 0.00 176.91 178.78 2k42 n ARG 70 N -4.42 1.78 -0.09 1.72 1.74 0.53 -4.66 116.66 113.26 2k42 n ARG 70 Ca 0.00 -1.51 -0.11 0.00 -0.77 0.00 0.00 57.85 55.46 2k42 n ARG 70 Cb 0.14 -1.17 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2k42 n ARG 71 N 0.29 0.51 0.00 5.56 0.63 0.22 -5.12 116.66 118.76 2k42 n ARG 71 Ca 0.07 0.34 0.15 0.00 -0.92 0.00 0.00 57.85 57.48 2k42 n ARG 71 Cb 0.30 -1.54 0.72 0.00 0.45 0.00 0.00 32.46 32.39 2k42 n ARG 71 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16