#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 s HIS 2 N 0.00 3.40 -1.00 1.61 -0.00 -1.26 -4.97 115.29 113.07 2k42 s HIS 2 Ca 0.00 1.06 -0.01 0.00 -0.00 0.00 0.00 55.06 56.11 2k42 s HIS 2 Cb 0.00 -2.87 0.32 0.00 -0.00 0.00 0.00 32.58 30.03 2k42 s HIS 2 CO 0.00 -0.18 1.72 -1.33 -0.00 0.00 0.00 174.74 174.95 2k42 n MET 3 N 5.02 5.16 -3.64 -0.38 2.81 -1.26 -4.94 117.12 119.89 2k42 n MET 3 Ca 0.01 -4.67 -0.38 0.00 -1.81 0.00 0.00 57.70 50.85 2k42 n MET 3 Cb 0.49 -2.46 -0.12 0.00 -0.71 0.00 0.00 33.22 30.43 2k42 n MET 3 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k42 s SER 4 N -1.55 5.64 0.28 7.83 0.15 -1.26 -5.00 113.70 119.80 2k42 s SER 4 Ca 0.39 -0.31 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 2k42 s SER 4 Cb 0.18 -2.03 0.47 0.00 -1.71 0.00 0.00 66.02 62.92 2k42 s SER 4 CO -0.10 -0.13 1.90 1.23 1.20 0.00 0.00 173.24 177.34 2k42 h GLY 5 N 8.35 1.43 -7.00 9.45 0.00 -2.03 -3.39 103.07 109.87 2k42 h GLY 5 Ca -0.34 -0.45 -0.44 0.00 0.00 0.00 0.00 47.33 46.10 2k42 h GLY 5 CO 0.59 0.32 -0.73 -0.12 0.00 0.00 0.00 176.54 176.60 2k42 s PHE 6 N -5.97 0.13 -0.89 5.60 5.36 -1.26 -4.99 117.98 115.96 2k42 s PHE 6 Ca -0.12 -0.27 0.25 0.00 -0.96 0.00 0.00 56.93 55.83 2k42 s PHE 6 Cb 0.20 -0.66 0.99 0.00 -0.34 0.00 0.00 43.02 43.21 2k42 s PHE 6 CO 0.81 -0.54 1.77 0.36 -1.46 0.00 0.00 175.22 176.16 2k42 n LYS 7 N 5.28 0.08 -3.41 10.12 2.85 -1.26 -4.25 118.16 127.56 2k42 n LYS 7 Ca -0.07 0.15 -0.26 0.00 -1.05 0.00 0.00 58.31 57.08 2k42 n LYS 7 Cb 0.49 -1.61 -0.09 0.00 -0.65 0.00 0.00 35.03 33.17 2k42 n LYS 7 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2k42 n HIS 8 N -1.74 0.52 -0.03 5.58 -0.00 -1.26 -2.72 115.22 115.57 2k42 n HIS 8 Ca 0.05 -3.66 -0.03 0.00 -0.00 0.00 0.00 57.72 54.08 2k42 n HIS 8 Cb 0.31 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.99 30.08 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 1.99 0.39 1.92 3.57 3.14 -1.26 -4.59 118.33 123.48 2k42 n VAL 9 Ca 0.26 -0.23 0.16 0.00 -2.96 0.00 0.00 64.34 61.57 2k42 n VAL 9 Cb 0.47 -0.84 0.88 0.00 -1.06 0.00 0.00 33.84 33.28 2k42 n VAL 9 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2k42 n SER 10 N -2.28 0.25 0.00 6.55 7.64 -1.26 -4.84 113.62 119.68 2k42 n SER 10 Ca -0.10 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2k42 n SER 10 Cb 0.68 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 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 -0.80 0.00 0.00 1.43 -0.00 -1.26 -3.28 115.22 111.30 2k42 n HIS 11 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 2k42 n HIS 11 Cb 0.15 -1.54 0.00 0.00 -0.00 0.00 0.00 29.99 28.60 2k42 n HIS 11 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2k42 n VAL 12 N -2.10 0.00 -1.91 1.59 0.31 -1.26 -2.25 118.33 112.71 2k42 n VAL 12 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2k42 n VAL 12 Cb 0.27 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 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 -1.91 0.29 3.18 2.92 0.00 -1.21 -4.67 105.19 103.79 2k42 n GLY 13 Ca 0.00 -0.59 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.37 1.59 -0.09 1.61 -0.00 -0.95 -0.07 118.94 118.66 2k42 s TRP 14 Ca 0.00 -0.31 0.03 0.00 -0.00 0.00 0.00 56.10 55.82 2k42 s TRP 14 Cb 0.00 -1.01 0.01 0.00 -0.00 0.00 0.00 33.47 32.47 2k42 s TRP 14 CO 0.00 -0.01 -0.18 -0.51 -0.00 0.00 0.00 176.95 176.25 2k42 s ASP 15 N -0.56 2.46 0.29 5.86 1.11 0.47 -4.96 116.67 121.33 2k42 s ASP 15 Ca 0.07 -0.44 0.00 0.00 0.18 0.00 0.00 52.55 52.36 2k42 s ASP 15 Cb -0.07 -1.13 0.67 0.00 1.07 0.00 0.00 42.92 43.47 2k42 s ASP 15 CO -0.00 0.09 1.62 -0.65 1.18 0.00 0.00 175.17 177.40 2k42 h PRO 16 N 6.93 0.11 -0.01 8.23 0.11 -1.98 0.59 132.00 145.97 2k42 h PRO 16 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2k42 h PRO 16 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k42 h PRO 16 CO 0.48 0.07 -0.39 1.04 -0.21 0.00 0.00 178.00 178.99 2k42 n GLN 17 N -5.34 1.48 -0.07 1.05 1.13 -1.26 -4.48 117.38 109.89 2k42 n GLN 17 Ca 0.20 -0.92 -0.09 0.00 -1.94 0.00 0.00 57.00 54.25 2k42 n GLN 17 Cb 0.67 -1.37 -0.08 0.00 0.11 0.00 0.00 30.24 29.57 2k42 n GLN 17 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2k42 n ASN 18 N -0.03 2.48 0.00 1.08 4.13 -0.15 -4.66 115.26 118.10 2k42 n ASN 18 Ca 0.08 -0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2k42 n ASN 18 Cb 0.40 0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.82 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k42 n GLY 19 N 2.56 -0.87 3.74 7.41 0.00 0.19 -4.50 105.19 113.72 2k42 n GLY 19 Ca -0.24 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.25 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 3.63 -1.26 1.61 0.08 0.22 -0.40 117.98 121.86 2k42 s PHE 20 Ca 0.00 1.18 -0.19 0.00 0.12 0.00 0.00 56.93 58.04 2k42 s PHE 20 Cb 0.00 -2.67 0.03 0.00 -0.57 0.00 0.00 43.02 39.82 2k42 s PHE 20 CO 0.00 0.25 1.78 0.34 -0.10 0.00 0.00 175.22 177.48 2k42 s ASP 21 N 0.22 6.40 0.59 1.36 -1.08 0.90 -4.48 116.67 120.57 2k42 s ASP 21 Ca 0.32 -2.22 0.29 0.00 -0.52 0.00 0.00 52.55 50.42 2k42 s ASP 21 Cb -0.18 -2.58 1.42 0.00 -1.46 0.00 0.00 42.92 40.12 2k42 s ASP 21 CO 0.17 -1.63 1.82 1.62 0.52 0.00 0.00 175.17 177.67 2k42 h VAL 22 N 5.76 0.32 -0.41 1.11 3.04 -1.91 0.28 116.25 124.46 2k42 h VAL 22 Ca 0.39 0.00 -0.15 0.00 -1.01 0.00 0.00 66.70 65.92 2k42 h VAL 22 Cb 0.89 0.53 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 2k42 h VAL 22 CO 1.40 0.00 -0.34 -1.13 -1.01 0.00 0.00 177.57 176.49 2k42 h ASN 23 N 0.00 1.00 -1.06 3.17 -1.24 -1.98 -3.18 115.58 112.28 2k42 h ASN 23 Ca 0.27 -0.45 -0.58 0.00 0.71 0.00 0.00 56.30 56.24 2k42 h ASN 23 Cb 1.44 -0.28 -0.41 0.00 0.73 0.00 0.00 38.32 39.81 2k42 h ASN 23 CO -0.00 1.24 -0.54 0.59 -1.29 0.00 0.00 177.43 177.43 2k42 n ASN 24 N -4.08 5.26 -4.79 1.15 4.13 0.78 -5.03 115.26 112.67 2k42 n ASN 24 Ca -0.02 -3.75 -0.36 0.00 1.68 0.00 0.00 54.58 52.14 2k42 n ASN 24 Cb 0.52 -0.47 -0.07 0.00 -1.54 0.00 0.00 39.78 38.22 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2k42 s LEU 25 N -3.63 4.28 0.19 3.41 2.96 0.09 -4.82 118.68 121.16 2k42 s LEU 25 Ca 0.51 0.32 -0.33 0.00 -0.22 0.00 0.00 54.13 54.42 2k42 s LEU 25 Cb 0.42 -2.09 -0.14 0.00 0.50 0.00 0.00 46.19 44.88 2k42 s LEU 25 CO -0.06 0.26 1.48 -0.67 -1.32 0.00 0.00 176.35 176.05 2k42 n ASP 26 N 2.95 2.81 -0.33 3.68 -0.08 -1.26 -4.76 116.55 119.56 2k42 n ASP 26 Ca -0.17 1.11 0.11 0.00 -1.51 0.00 0.00 54.79 54.33 2k42 n ASP 26 Cb 0.53 -1.41 0.32 0.00 2.34 0.00 0.00 41.12 42.90 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 5.05 0.79 -0.21 -0.67 0.11 -1.98 0.19 132.00 135.27 2k42 h PRO 27 Ca -0.45 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.43 2k42 h PRO 27 Cb 1.27 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k42 h PRO 27 CO 0.82 0.52 -0.59 -0.44 -0.21 0.00 0.00 178.00 178.10 2k42 h ASP 28 N 0.81 0.78 -0.50 -2.05 3.32 -1.99 -0.86 116.42 115.92 2k42 h ASP 28 Ca 0.51 -0.43 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 2k42 h ASP 28 Cb 0.72 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2k42 h ASP 28 CO -0.28 1.19 0.11 -0.07 -1.72 0.00 0.00 179.24 178.48 2k42 h LEU 29 N 0.52 0.77 -0.89 1.55 3.38 -1.63 -1.40 115.31 117.60 2k42 h LEU 29 Ca 0.00 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.81 2k42 h LEU 29 Cb 1.17 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2k42 h LEU 29 CO 0.12 0.81 0.55 -0.09 0.09 0.00 0.00 178.44 179.91 2k42 h ARG 30 N 0.69 0.93 -0.13 1.13 1.12 -0.49 0.14 114.38 117.77 2k42 h ARG 30 Ca 0.16 -0.06 0.02 0.00 -1.11 0.00 0.00 59.98 58.99 2k42 h ARG 30 Cb 0.34 -0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 30.08 2k42 h ARG 30 CO 0.00 0.61 0.03 1.03 -3.11 0.00 0.00 179.97 178.53 2k42 h SER 31 N 0.95 0.01 0.41 -3.80 0.87 -0.74 -2.70 113.55 108.56 2k42 h SER 31 Ca 0.41 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 2k42 h SER 31 Cb 0.28 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2k42 h SER 31 CO -0.21 0.03 -0.20 0.25 -0.53 0.00 0.00 176.83 176.17 2k42 h LEU 32 N 0.08 -0.47 -1.17 2.23 5.85 -0.14 -3.06 115.31 118.64 2k42 h LEU 32 Ca 0.06 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2k42 h LEU 32 Cb 0.05 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2k42 h LEU 32 CO -0.07 -0.17 0.33 -0.26 -0.34 0.00 0.00 178.44 177.92 2k42 h PHE 33 N -0.77 0.89 0.00 1.25 0.04 -0.83 0.89 116.94 118.41 2k42 h PHE 33 Ca -0.06 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 2k42 h PHE 33 Cb 0.53 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.39 2k42 h PHE 33 CO -0.00 0.64 -0.11 1.03 -0.60 0.00 0.00 178.31 179.27 2k42 h SER 34 N 0.91 0.00 0.57 2.17 0.87 -1.50 -1.22 113.55 115.34 2k42 h SER 34 Ca 0.23 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.50 2k42 h SER 34 Cb 0.07 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2k42 h SER 34 CO -0.03 0.11 -1.31 0.03 -0.53 0.00 0.00 176.83 175.10 2k42 h ARG 35 N 0.00 0.30 0.00 2.24 3.08 -0.75 -3.31 114.38 115.93 2k42 h ARG 35 Ca -0.00 -0.51 -0.12 0.00 0.07 0.00 0.00 59.98 59.42 2k42 h ARG 35 Cb 0.25 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 2k42 h ARG 35 CO 0.01 1.23 -0.57 0.00 -1.07 0.00 0.00 179.97 179.57 2k42 h ALA 36 N 0.52 0.91 0.00 0.04 0.00 -0.71 -3.47 119.26 116.56 2k42 h ALA 36 Ca -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2k42 h ALA 36 Cb 2.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2k42 h ALA 36 CO 0.21 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2k42 n GLY 37 N 0.39 0.95 3.63 0.00 0.00 -0.72 -5.07 105.19 104.38 2k42 n GLY 37 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.25 0.82 -0.61 1.01 -0.54 -4.99 121.20 118.13 2k42 s ILE 38 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.88 2k42 s ILE 38 Cb 0.00 -3.25 0.17 0.00 0.01 0.00 0.00 42.46 39.39 2k42 s ILE 38 CO 0.00 -0.10 1.12 -0.94 0.00 0.00 0.00 174.94 175.02 2k42 s SER 39 N 5.57 3.81 0.25 3.58 1.04 -1.26 -4.31 113.70 122.38 2k42 s SER 39 Ca 0.86 -0.30 -0.05 0.00 0.48 0.00 0.00 55.95 56.94 2k42 s SER 39 Cb -0.34 0.11 0.34 0.00 0.10 0.00 0.00 66.02 66.24 2k42 s SER 39 CO 0.35 -2.24 1.87 -0.08 0.98 0.00 0.00 173.24 174.13 2k42 h GLU 40 N -0.93 1.07 -0.13 4.02 4.81 -1.98 0.76 114.58 122.20 2k42 h GLU 40 Ca -0.37 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 2k42 h GLU 40 Cb 1.25 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2k42 h GLU 40 CO 0.36 0.71 -0.24 0.00 -0.73 0.00 0.00 179.01 179.11 2k42 h ALA 41 N 1.41 1.37 0.06 2.92 0.00 -1.95 -1.57 119.26 121.50 2k42 h ALA 41 Ca 0.39 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 2k42 h ALA 41 Cb 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k42 h ALA 41 CO -0.15 0.44 -1.12 1.96 0.00 0.00 0.00 179.25 180.37 2k42 h GLN 42 N 0.20 0.58 0.00 0.00 4.20 -1.70 -1.17 115.11 117.22 2k42 h GLN 42 Ca 0.03 -0.70 -0.03 0.00 0.06 0.00 0.00 58.65 58.02 2k42 h GLN 42 Cb 0.54 0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 2k42 h GLN 42 CO 0.04 1.30 -0.13 -0.07 -0.67 0.00 0.00 178.83 179.30 2k42 h LEU 43 N 0.29 0.00 -3.13 1.46 3.38 -0.57 -1.48 115.31 115.26 2k42 h LEU 43 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2k42 h LEU 43 Cb 1.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2k42 h LEU 43 CO 0.21 0.13 0.00 0.35 0.09 0.00 0.00 178.44 179.22 2k42 n THR 44 N -3.63 1.79 -3.29 0.22 -2.24 -0.62 0.69 114.28 107.20 2k42 n THR 44 Ca -0.02 -1.37 -0.38 0.00 -2.27 0.00 0.00 64.05 60.01 2k42 n THR 44 Cb 0.25 0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.26 6.89 0.11 3.42 2.15 -0.45 -4.74 116.67 122.79 2k42 s ASP 45 Ca 0.41 1.05 -0.29 0.00 0.43 0.00 0.00 52.55 54.15 2k42 s ASP 45 Cb 0.28 -2.33 -0.08 0.00 -0.30 0.00 0.00 42.92 40.49 2k42 s ASP 45 CO 0.17 0.13 1.61 0.00 -0.17 0.00 0.00 175.17 176.91 2k42 h ALA 46 N 5.62 -0.58 0.23 3.66 0.00 -1.86 -2.19 119.26 124.14 2k42 h ALA 46 Ca -0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2k42 h ALA 46 Cb 1.20 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2k42 h ALA 46 CO 0.69 -0.89 -0.11 1.49 0.00 0.00 0.00 179.25 180.43 2k42 h GLU 47 N -0.56 -0.30 0.10 0.00 4.81 -1.92 -2.70 114.58 114.01 2k42 h GLU 47 Ca 0.03 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2k42 h GLU 47 Cb 0.60 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2k42 h GLU 47 CO -0.20 0.08 -0.33 1.15 -0.73 0.00 0.00 179.01 178.98 2k42 h THR 48 N -0.82 0.00 -0.65 0.32 2.02 -1.80 -2.39 112.91 109.58 2k42 h THR 48 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2k42 h THR 48 Cb 0.51 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2k42 h THR 48 CO 0.05 0.00 0.43 0.77 0.37 0.00 0.00 175.52 177.14 2k42 h SER 49 N -0.49 0.74 -0.79 4.18 4.64 -1.37 0.87 113.55 121.34 2k42 h SER 49 Ca -0.01 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2k42 h SER 49 Cb 0.49 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 2k42 h SER 49 CO -0.17 0.54 0.45 0.50 -0.87 0.00 0.00 176.83 177.28 2k42 h LYS 50 N 0.88 1.11 0.00 4.77 3.64 -1.44 -0.33 116.57 125.19 2k42 h LYS 50 Ca 0.24 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 2k42 h LYS 50 Cb -0.09 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.48 2k42 h LYS 50 CO -0.06 0.80 -0.88 -0.07 -2.27 0.00 0.00 179.45 176.98 2k42 h LEU 51 N 1.12 0.00 -0.24 5.20 3.38 -0.91 -2.42 115.31 121.44 2k42 h LEU 51 Ca 0.28 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2k42 h LEU 51 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2k42 h LEU 51 CO -0.05 0.78 0.11 0.40 0.09 0.00 0.00 178.44 179.77 2k42 h ILE 52 N 0.00 0.98 -0.36 1.22 2.04 0.00 0.27 117.51 121.66 2k42 h ILE 52 Ca -0.04 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2k42 h ILE 52 Cb 1.62 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 2k42 h ILE 52 CO 0.10 0.04 0.20 0.22 0.00 0.00 0.00 178.15 178.71 2k42 h TYR 53 N 0.23 0.50 -0.81 1.37 3.20 -1.07 0.36 116.97 120.75 2k42 h TYR 53 Ca 0.10 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.10 2k42 h TYR 53 Cb 0.04 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.09 2k42 h TYR 53 CO -0.10 0.39 0.53 0.22 -1.64 0.00 0.00 178.16 177.56 2k42 h ASP 54 N 0.46 0.53 -0.01 -2.11 3.58 -1.24 0.42 116.42 118.04 2k42 h ASP 54 Ca 0.13 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 2k42 h ASP 54 Cb 0.06 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 2k42 h ASP 54 CO -0.02 0.28 0.00 0.15 -2.88 0.00 0.00 179.24 176.77 2k42 h PHE 55 N 0.57 0.02 -0.78 0.28 3.57 0.05 -2.58 116.94 118.06 2k42 h PHE 55 Ca 0.40 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.91 2k42 h PHE 55 Cb 0.73 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 2k42 h PHE 55 CO -0.00 0.28 0.52 0.82 -2.23 0.00 0.00 178.31 177.70 2k42 h ILE 56 N -0.24 1.17 0.00 1.41 2.04 0.74 0.11 117.51 122.74 2k42 h ILE 56 Ca 0.00 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2k42 h ILE 56 Cb 0.27 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2k42 h ILE 56 CO 0.00 0.19 -0.02 -0.08 0.00 0.00 0.00 178.15 178.24 2k42 h GLU 57 N 1.02 0.00 -0.15 2.37 4.81 -0.99 -1.49 114.58 120.15 2k42 h GLU 57 Ca 0.30 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.38 2k42 h GLU 57 Cb -0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2k42 h GLU 57 CO -0.07 0.02 -0.52 0.22 -0.73 0.00 0.00 179.01 177.92 2k42 h ASP 58 N 0.00 0.46 1.62 1.04 3.58 -0.35 -2.54 116.42 120.22 2k42 h ASP 58 Ca -0.00 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.21 2k42 h ASP 58 Cb 0.66 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 2k42 h ASP 58 CO 0.00 0.90 -0.02 1.56 -2.88 0.00 0.00 179.24 178.80 2k42 h GLN 59 N 0.33 0.00 0.00 0.28 7.50 -1.30 -3.46 115.11 118.45 2k42 h GLN 59 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 2k42 h GLN 59 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.56 2k42 h GLN 59 CO 0.09 0.02 0.00 0.41 -1.50 0.00 0.00 178.83 177.85 2k42 n GLY 60 N 0.71 1.94 0.00 3.46 0.00 -0.96 -4.84 105.19 105.50 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 -0.14 -1.33 0.15 -0.02 0.00 -0.58 -4.47 105.19 98.81 2k42 n GLY 61 Ca 0.00 -2.23 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.27 -1.64 0.99 3.38 -1.75 -2.67 115.31 113.35 2k42 h LEU 62 Ca 0.00 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2k42 h LEU 62 Cb 0.00 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2k42 h LEU 62 CO 0.00 -0.17 -0.05 -0.33 0.09 0.00 0.00 178.44 177.97 2k42 h GLU 63 N -0.27 0.16 -0.55 1.13 4.39 -1.86 -2.08 114.58 115.50 2k42 h GLU 63 Ca -0.01 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 2k42 h GLU 63 Cb 0.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2k42 h GLU 63 CO 0.01 0.23 -0.08 0.00 -1.16 0.00 0.00 179.01 178.01 2k42 h ALA 64 N 1.80 0.82 -0.02 3.43 0.00 -1.70 -1.96 119.26 121.63 2k42 h ALA 64 Ca 0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2k42 h ALA 64 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k42 h ALA 64 CO 0.01 0.66 -0.41 0.28 0.00 0.00 0.00 179.25 179.79 2k42 h VAL 65 N 0.91 1.30 0.00 0.00 2.07 -1.14 -1.68 116.25 117.71 2k42 h VAL 65 Ca 0.15 -1.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.16 2k42 h VAL 65 Cb 0.63 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2k42 h VAL 65 CO 0.04 0.41 -0.35 0.03 0.02 0.00 0.00 177.57 177.73 2k42 h ARG 66 N 0.03 0.00 -0.12 1.57 3.08 -1.00 -2.26 114.38 115.67 2k42 h ARG 66 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2k42 h ARG 66 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2k42 h ARG 66 CO 0.06 0.35 -0.65 1.96 -1.07 0.00 0.00 179.97 180.61 2k42 h GLN 67 N 0.00 0.48 -0.08 0.04 4.20 -0.58 -2.97 115.11 116.20 2k42 h GLN 67 Ca -0.00 -0.35 0.02 0.00 0.06 0.00 0.00 58.65 58.38 2k42 h GLN 67 Cb 0.77 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 2k42 h GLN 67 CO 0.04 0.97 0.09 0.93 -0.67 0.00 0.00 178.83 180.19 2k42 h GLU 68 N 0.34 0.00 0.00 1.46 4.39 -0.80 0.12 114.58 120.09 2k42 h GLU 68 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k42 h GLU 68 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2k42 h GLU 68 CO 0.12 0.00 0.00 0.52 -1.16 0.00 0.00 179.01 178.49 2k42 h MET 69 N 0.00 0.00 0.00 2.33 2.86 -1.41 -0.10 114.93 118.61 2k42 h MET 69 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2k42 h MET 69 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k42 h MET 69 CO -0.00 0.00 -0.05 0.54 1.06 0.00 0.00 176.91 178.46 2k42 n ARG 70 N -2.95 1.70 0.00 1.72 3.00 0.35 -4.94 116.66 115.54 2k42 n ARG 70 Ca -0.02 -1.83 0.00 0.00 -0.01 0.00 0.00 57.85 55.99 2k42 n ARG 70 Cb 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 32.46 31.43 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2k42 n ARG 71 N -0.81 0.00 -0.62 5.56 0.63 -0.11 -5.11 116.66 116.20 2k42 n ARG 71 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 2k42 n ARG 71 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06