#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 -3.30 1.61 -0.00 -1.26 -4.91 115.22 110.07 2k42 n HIS 2 Ca 0.00 -2.72 -0.46 0.00 -0.00 0.00 0.00 57.72 54.54 2k42 n HIS 2 Cb 0.00 -1.74 -0.04 0.00 -0.00 0.00 0.00 29.99 28.21 2k42 n HIS 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2k42 s MET 3 N -0.63 3.10 0.16 1.57 1.00 -1.26 -4.94 119.30 118.31 2k42 s MET 3 Ca 0.38 -1.82 0.00 0.00 0.00 0.00 0.00 55.69 54.25 2k42 s MET 3 Cb 0.09 -4.32 0.00 0.00 0.00 0.00 0.00 34.83 30.59 2k42 s MET 3 CO 0.03 -1.34 0.00 0.45 0.00 0.00 0.00 175.02 174.16 2k42 n SER 4 N 5.10 -2.17 -3.47 3.03 2.88 -1.26 -5.01 113.62 112.72 2k42 n SER 4 Ca -0.09 0.37 -0.12 0.00 -1.33 0.00 0.00 58.87 57.71 2k42 n SER 4 Cb 0.41 -1.33 -0.10 0.00 -0.75 0.00 0.00 64.21 62.44 2k42 n SER 4 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2k42 s GLY 5 N -5.03 -0.27 -0.53 0.46 0.00 -1.25 -5.06 107.32 95.64 2k42 s GLY 5 Ca 0.00 0.87 -0.27 0.00 0.00 0.00 0.00 44.72 45.32 2k42 s GLY 5 CO 0.00 2.41 1.76 -0.12 0.00 0.00 0.00 173.10 177.15 2k42 s PHE 6 N 2.49 1.82 -0.15 1.90 5.36 -1.26 -4.00 117.98 124.14 2k42 s PHE 6 Ca 0.08 0.69 0.16 0.00 -0.96 0.00 0.00 56.93 56.89 2k42 s PHE 6 Cb -0.14 -4.16 0.43 0.00 -0.34 0.00 0.00 43.02 38.81 2k42 s PHE 6 CO -0.13 -2.40 1.20 1.63 -1.46 0.00 0.00 175.22 174.06 2k42 n LYS 7 N 8.89 1.27 -2.43 10.12 4.76 -1.26 -5.01 118.16 134.50 2k42 n LYS 7 Ca 0.19 -2.98 -0.40 0.00 -2.87 0.00 0.00 58.31 52.25 2k42 n LYS 7 Cb 0.50 -1.17 -0.03 0.00 -1.84 0.00 0.00 35.03 32.49 2k42 n LYS 7 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2k42 s HIS 8 N -2.29 2.17 0.05 2.13 5.65 -1.26 -4.29 115.29 117.45 2k42 s HIS 8 Ca 0.37 0.03 0.02 0.00 0.25 0.00 0.00 55.06 55.74 2k42 s HIS 8 Cb 0.38 -4.51 -0.03 0.00 -1.18 0.00 0.00 32.58 27.24 2k42 s HIS 8 CO -0.09 -2.09 -0.08 0.54 -0.65 0.00 0.00 174.74 172.37 2k42 s VAL 9 N 6.48 0.60 0.00 0.89 0.11 -1.26 -4.81 120.40 122.42 2k42 s VAL 9 Ca 0.44 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.33 2k42 s VAL 9 Cb -0.08 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 2k42 s VAL 9 CO 0.12 -0.40 0.00 -1.20 -3.33 0.00 0.00 175.10 170.28 2k42 n SER 10 N 1.34 -1.05 0.00 3.54 7.64 -1.26 -2.64 113.62 121.19 2k42 n SER 10 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 2k42 n SER 10 Cb 0.55 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 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 -2.11 0.00 -0.81 1.43 8.25 -1.26 -2.96 115.22 117.75 2k42 n HIS 11 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k42 n HIS 11 Cb 0.06 -1.56 0.00 0.00 1.12 0.00 0.00 29.99 29.60 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 -2.06 0.00 -2.52 1.59 0.31 -1.08 -1.42 118.33 113.15 2k42 n VAL 12 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2k42 n VAL 12 Cb 0.23 -0.75 0.01 0.00 -0.91 0.00 0.00 33.84 32.42 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 -0.35 -0.27 3.53 2.92 0.00 -1.16 -4.75 105.19 105.10 2k42 n GLY 13 Ca 0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.89 2.87 -0.08 1.61 -0.00 -0.51 -0.46 118.94 119.48 2k42 s TRP 14 Ca 0.09 -0.11 0.05 0.00 -0.00 0.00 0.00 56.10 56.13 2k42 s TRP 14 Cb -0.04 -1.72 -0.00 0.00 -0.00 0.00 0.00 33.47 31.71 2k42 s TRP 14 CO 0.11 0.21 -0.23 0.34 -0.00 0.00 0.00 176.95 177.38 2k42 s ASP 15 N -0.59 2.97 0.54 5.86 -1.08 0.70 -4.97 116.67 120.09 2k42 s ASP 15 Ca 0.09 -0.52 0.30 0.00 -0.52 0.00 0.00 52.55 51.90 2k42 s ASP 15 Cb -0.12 -1.13 1.46 0.00 -1.46 0.00 0.00 42.92 41.67 2k42 s ASP 15 CO 0.02 0.18 1.92 1.55 0.52 0.00 0.00 175.17 179.36 2k42 h PRO 16 N 6.47 0.00 0.00 4.34 0.13 -1.94 0.39 132.00 141.39 2k42 h PRO 16 Ca -0.25 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.58 2k42 h PRO 16 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2k42 h PRO 16 CO 0.47 0.00 -2.10 1.04 -0.23 0.00 0.00 178.00 177.18 2k42 n GLN 17 N -4.27 0.46 0.05 0.86 6.02 -1.26 -4.57 117.38 114.68 2k42 n GLN 17 Ca 0.16 0.13 0.13 0.00 -0.01 0.00 0.00 57.00 57.40 2k42 n GLN 17 Cb 0.85 -1.34 0.37 0.00 1.02 0.00 0.00 30.24 31.14 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 -3.27 0.52 0.00 1.08 3.02 -1.10 -3.59 115.26 111.92 2k42 n ASN 18 Ca -0.35 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2k42 n ASN 18 Cb 0.84 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k42 n GLY 19 N 1.40 -1.70 3.79 7.41 0.00 0.14 -4.42 105.19 111.81 2k42 n GLY 19 Ca 0.05 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 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 3.71 -0.57 1.61 0.40 -0.54 -0.22 117.98 122.37 2k42 s PHE 20 Ca 0.00 1.70 -0.27 0.00 -0.60 0.00 0.00 56.93 57.76 2k42 s PHE 20 Cb 0.00 -2.85 -0.02 0.00 0.51 0.00 0.00 43.02 40.66 2k42 s PHE 20 CO 0.00 0.27 1.81 0.34 0.70 0.00 0.00 175.22 178.33 2k42 s ASP 21 N -1.58 5.44 0.23 1.36 -1.08 0.39 -4.69 116.67 116.75 2k42 s ASP 21 Ca 0.47 0.46 0.22 0.00 -0.52 0.00 0.00 52.55 53.18 2k42 s ASP 21 Cb -0.19 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.68 2k42 s ASP 21 CO 0.24 -2.22 1.66 1.33 0.52 0.00 0.00 175.17 176.69 2k42 n VAL 22 N 7.20 0.91 0.03 1.11 0.24 -1.26 -1.20 118.33 125.36 2k42 n VAL 22 Ca 0.20 0.31 -0.21 0.00 -2.04 0.00 0.00 64.34 62.60 2k42 n VAL 22 Cb 0.51 -1.24 -0.14 0.00 -1.47 0.00 0.00 33.84 31.50 2k42 n VAL 22 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2k42 h ASN 23 N 0.00 0.47 -0.88 -1.34 -1.24 -2.00 -3.34 115.58 107.25 2k42 h ASN 23 Ca 0.00 -0.92 -0.46 0.00 0.71 0.00 0.00 56.30 55.64 2k42 h ASN 23 Cb 0.29 -0.15 -0.27 0.00 0.73 0.00 0.00 38.32 38.91 2k42 h ASN 23 CO 0.00 1.81 0.58 0.59 -1.29 0.00 0.00 177.43 179.12 2k42 n ASN 24 N -3.51 3.68 -4.73 1.15 3.02 -0.89 -4.98 115.26 109.00 2k42 n ASN 24 Ca -0.29 -3.42 -0.42 0.00 -0.03 0.00 0.00 54.58 50.42 2k42 n ASN 24 Cb 1.06 -0.80 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 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 -2.92 4.39 0.25 3.41 1.43 -0.34 -4.88 118.68 120.02 2k42 s LEU 25 Ca 0.51 2.54 -0.31 0.00 -1.03 0.00 0.00 54.13 55.84 2k42 s LEU 25 Cb 0.43 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.92 2k42 s LEU 25 CO 0.10 -0.67 1.67 -0.67 0.23 0.00 0.00 176.35 177.01 2k42 n ASP 26 N 2.87 3.97 -0.19 2.29 2.03 -1.26 -4.80 116.55 121.46 2k42 n ASP 26 Ca 0.08 1.10 0.25 0.00 0.52 0.00 0.00 54.79 56.74 2k42 n ASP 26 Cb 0.41 -1.59 0.65 0.00 -0.72 0.00 0.00 41.12 39.87 2k42 n ASP 26 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2k42 h PRO 27 N 5.84 0.13 0.10 -0.67 0.11 -1.99 0.41 132.00 135.93 2k42 h PRO 27 Ca -0.45 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 2k42 h PRO 27 Cb 1.21 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k42 h PRO 27 CO 0.88 0.09 -1.14 -0.44 -0.21 0.00 0.00 178.00 177.18 2k42 h ASP 28 N 0.13 0.32 -0.37 -2.05 3.32 -1.97 -2.86 116.42 112.94 2k42 h ASP 28 Ca 0.43 -0.85 0.08 0.00 0.02 0.00 0.00 57.03 56.71 2k42 h ASP 28 Cb 1.49 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 40.85 2k42 h ASP 28 CO -0.07 1.50 -0.24 -0.07 -1.72 0.00 0.00 179.24 178.64 2k42 h LEU 29 N -0.46 -0.81 -0.76 1.55 4.07 -1.69 0.40 115.31 117.61 2k42 h LEU 29 Ca -0.25 0.16 0.07 0.00 0.08 0.00 0.00 57.88 57.95 2k42 h LEU 29 Cb 1.61 0.41 -0.06 0.00 1.08 0.00 0.00 40.66 43.70 2k42 h LEU 29 CO 0.04 -0.27 0.43 -0.09 -1.08 0.00 0.00 178.44 177.48 2k42 h ARG 30 N -0.19 0.74 -0.19 1.13 1.12 -0.33 0.22 114.38 116.89 2k42 h ARG 30 Ca 0.18 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.97 2k42 h ARG 30 Cb 0.47 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 2k42 h ARG 30 CO -0.48 0.49 -0.04 1.03 -3.11 0.00 0.00 179.97 177.86 2k42 h SER 31 N 0.77 0.36 0.46 -3.80 0.87 -1.16 -2.52 113.55 108.53 2k42 h SER 31 Ca 0.35 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2k42 h SER 31 Cb 0.26 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2k42 h SER 31 CO -0.21 0.64 -0.22 0.25 -0.53 0.00 0.00 176.83 176.75 2k42 h LEU 32 N 0.07 -0.52 -1.67 2.23 7.12 0.56 -2.18 115.31 120.93 2k42 h LEU 32 Ca 0.05 -0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.02 2k42 h LEU 32 Cb 0.48 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.72 2k42 h LEU 32 CO 0.02 -0.28 0.24 -0.26 -0.13 0.00 0.00 178.44 178.03 2k42 h PHE 33 N -0.75 0.43 -0.07 1.25 0.04 -0.68 0.21 116.94 117.36 2k42 h PHE 33 Ca -0.06 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 2k42 h PHE 33 Cb 0.54 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 2k42 h PHE 33 CO -0.02 0.26 -0.28 1.03 -0.60 0.00 0.00 178.31 178.71 2k42 h SER 34 N 0.45 0.12 0.21 2.17 0.87 -1.17 0.18 113.55 116.38 2k42 h SER 34 Ca 0.14 -0.04 -0.30 0.00 -1.23 0.00 0.00 61.79 60.36 2k42 h SER 34 Cb -0.00 -0.03 0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2k42 h SER 34 CO -0.03 0.41 -1.30 0.03 -0.53 0.00 0.00 176.83 175.41 2k42 h ARG 35 N 0.11 0.51 0.00 2.24 3.08 -0.37 -3.32 114.38 116.64 2k42 h ARG 35 Ca 0.02 -0.83 0.00 0.00 0.07 0.00 0.00 59.98 59.24 2k42 h ARG 35 Cb 0.56 0.30 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2k42 h ARG 35 CO 0.04 1.39 0.00 0.00 -1.07 0.00 0.00 179.97 180.33 2k42 h ALA 36 N 0.16 1.00 0.00 0.04 0.00 -0.34 -3.46 119.26 116.66 2k42 h ALA 36 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k42 h ALA 36 Cb 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2k42 h ALA 36 CO 0.25 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2k42 n GLY 37 N 0.05 0.61 3.64 0.00 0.00 -0.16 -5.05 105.19 104.27 2k42 n GLY 37 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 4.17 0.49 -0.61 1.09 0.45 -4.99 121.20 119.80 2k42 s ILE 38 Ca 0.00 1.34 -0.01 0.00 -1.10 0.00 0.00 60.65 60.88 2k42 s ILE 38 Cb 0.00 -4.13 0.00 0.00 -1.06 0.00 0.00 42.46 37.27 2k42 s ILE 38 CO 0.00 -0.42 0.72 -0.55 -0.10 0.00 0.00 174.94 174.60 2k42 s SER 39 N 2.65 5.74 0.23 3.58 0.15 -1.26 -4.09 113.70 120.70 2k42 s SER 39 Ca 0.56 0.35 -0.08 0.00 0.70 0.00 0.00 55.95 57.48 2k42 s SER 39 Cb -0.17 -1.51 0.40 0.00 -1.71 0.00 0.00 66.02 63.02 2k42 s SER 39 CO 0.22 -0.81 1.66 -0.33 1.20 0.00 0.00 173.24 175.18 2k42 h GLU 40 N 0.26 0.15 0.29 5.44 3.07 -1.97 0.24 114.58 122.05 2k42 h GLU 40 Ca -0.46 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.38 2k42 h GLU 40 Cb 1.26 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2k42 h GLU 40 CO 0.58 0.10 -0.15 0.00 -1.40 0.00 0.00 179.01 178.13 2k42 h ALA 41 N 1.63 -0.40 -0.94 3.43 0.00 -1.95 -2.14 119.26 118.88 2k42 h ALA 41 Ca 0.38 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.32 2k42 h ALA 41 Cb 0.66 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2k42 h ALA 41 CO -0.57 -0.73 0.60 0.37 0.00 0.00 0.00 179.25 178.92 2k42 h GLN 42 N -0.41 0.90 0.00 0.00 4.15 -1.50 0.19 115.11 118.45 2k42 h GLN 42 Ca -0.03 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2k42 h GLN 42 Cb 0.33 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.81 2k42 h GLN 42 CO 0.05 0.59 0.00 -0.11 -1.93 0.00 0.00 178.83 177.43 2k42 n LEU 43 N -4.56 0.45 -0.24 -2.39 7.94 0.69 -2.13 117.00 116.75 2k42 n LEU 43 Ca 0.17 0.60 0.10 0.00 -1.11 0.00 0.00 56.01 55.77 2k42 n LEU 43 Cb 0.34 -0.53 0.16 0.00 0.53 0.00 0.00 43.42 43.92 2k42 n LEU 43 CO 0.30 -0.41 0.60 0.35 -1.11 0.00 0.00 177.39 177.12 2k42 n THR 44 N -1.98 1.97 -3.40 1.96 -2.24 0.61 -1.47 114.28 109.73 2k42 n THR 44 Ca 0.03 -2.19 -0.32 0.00 -2.27 0.00 0.00 64.05 59.30 2k42 n THR 44 Cb 0.24 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.69 6.63 0.06 3.42 1.01 -0.78 -4.26 116.67 120.07 2k42 s ASP 45 Ca 0.34 0.93 -0.24 0.00 0.71 0.00 0.00 52.55 54.29 2k42 s ASP 45 Cb 0.29 -2.23 -0.11 0.00 1.01 0.00 0.00 42.92 41.88 2k42 s ASP 45 CO 0.04 -0.08 1.37 0.00 0.21 0.00 0.00 175.17 176.71 2k42 h ALA 46 N 2.50 -0.97 -0.04 5.23 0.00 -1.85 -1.24 119.26 122.90 2k42 h ALA 46 Ca -0.47 -0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.10 2k42 h ALA 46 Cb 1.17 0.63 0.01 0.00 0.00 0.00 0.00 17.79 19.59 2k42 h ALA 46 CO 0.69 -1.01 -0.89 1.05 0.00 0.00 0.00 179.25 179.08 2k42 h GLU 47 N -0.63 0.52 0.62 0.00 9.09 -1.90 -3.14 114.58 119.14 2k42 h GLU 47 Ca -0.03 -0.51 -0.03 0.00 0.05 0.00 0.00 59.36 58.84 2k42 h GLU 47 Cb 0.56 0.13 0.01 0.00 -1.65 0.00 0.00 28.75 27.80 2k42 h GLU 47 CO -0.09 1.14 -0.30 1.15 0.05 0.00 0.00 179.01 180.96 2k42 h THR 48 N 0.31 0.36 -0.91 -1.06 2.02 -1.81 -0.86 112.91 110.96 2k42 h THR 48 Ca -0.07 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 2k42 h THR 48 Cb 1.52 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 2k42 h THR 48 CO 0.16 0.01 0.56 0.77 0.37 0.00 0.00 175.52 177.40 2k42 h SER 49 N -0.91 1.09 -0.63 4.18 4.64 -1.34 0.27 113.55 120.86 2k42 h SER 49 Ca -0.09 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 2k42 h SER 49 Cb 0.67 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2k42 h SER 49 CO 0.14 0.82 0.29 0.50 -0.87 0.00 0.00 176.83 177.71 2k42 h LYS 50 N 1.25 0.92 -0.01 4.77 3.64 -1.48 0.11 116.57 125.77 2k42 h LYS 50 Ca 0.33 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 2k42 h LYS 50 Cb -0.07 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2k42 h LYS 50 CO -0.06 0.75 -0.76 -0.07 -2.27 0.00 0.00 179.45 177.04 2k42 h LEU 51 N 0.87 0.09 -0.38 5.20 3.38 -0.46 0.70 115.31 124.71 2k42 h LEU 51 Ca 0.21 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2k42 h LEU 51 Cb 0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2k42 h LEU 51 CO -0.02 0.81 0.18 0.40 0.09 0.00 0.00 178.44 179.90 2k42 h ILE 52 N 0.05 1.18 -0.52 1.22 2.04 -0.09 0.35 117.51 121.74 2k42 h ILE 52 Ca -0.02 -0.51 -0.12 0.00 1.00 0.00 0.00 64.86 65.22 2k42 h ILE 52 Cb 1.33 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2k42 h ILE 52 CO 0.10 0.19 -0.13 0.22 0.00 0.00 0.00 178.15 178.53 2k42 h TYR 53 N 0.48 1.12 -0.78 1.37 3.20 -0.86 -0.79 116.97 120.71 2k42 h TYR 53 Ca 0.13 -0.24 0.06 0.00 3.14 0.00 0.00 58.73 61.82 2k42 h TYR 53 Cb 0.14 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 2k42 h TYR 53 CO -0.01 1.05 0.51 0.22 -1.64 0.00 0.00 178.16 178.29 2k42 h ASP 54 N 0.88 0.74 0.40 -2.11 3.58 -0.65 0.16 116.42 119.42 2k42 h ASP 54 Ca 0.13 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2k42 h ASP 54 Cb 0.70 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k42 h ASP 54 CO 0.05 0.48 -0.21 0.15 -2.88 0.00 0.00 179.24 176.83 2k42 h PHE 55 N 0.85 -0.56 -0.81 0.28 3.57 0.36 0.25 116.94 120.88 2k42 h PHE 55 Ca 0.33 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.89 2k42 h PHE 55 Cb 0.22 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 2k42 h PHE 55 CO -0.00 -0.34 0.48 0.82 -2.23 0.00 0.00 178.31 177.04 2k42 h ILE 56 N -0.57 1.00 -0.01 1.41 2.04 -0.18 -0.28 117.51 120.91 2k42 h ILE 56 Ca -0.05 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2k42 h ILE 56 Cb 0.45 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2k42 h ILE 56 CO 0.07 0.16 -0.11 -0.33 0.00 0.00 0.00 178.15 177.94 2k42 h GLU 57 N 0.87 -0.17 -0.17 2.37 4.39 -0.59 -1.03 114.58 120.26 2k42 h GLU 57 Ca 0.36 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.09 2k42 h GLU 57 Cb 0.21 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k42 h GLU 57 CO -0.19 -0.11 0.12 0.22 -1.16 0.00 0.00 179.01 177.88 2k42 h ASP 58 N -0.18 0.12 0.90 1.42 3.58 0.42 -0.35 116.42 122.34 2k42 h ASP 58 Ca 0.04 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k42 h ASP 58 Cb 0.23 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2k42 h ASP 58 CO -0.12 0.09 0.00 0.00 -2.88 0.00 0.00 179.24 176.33 2k42 n GLN 59 N -4.51 0.22 0.00 0.28 1.13 -0.25 -4.82 117.38 109.44 2k42 n GLN 59 Ca 0.00 0.39 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 2k42 n GLN 59 Cb 0.14 -1.88 0.00 0.00 0.11 0.00 0.00 30.24 28.61 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 0.26 1.45 0.00 1.08 0.00 -0.16 -4.82 105.19 103.00 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 -0.08 -0.62 0.36 -0.02 0.00 -0.41 -3.85 105.19 100.56 2k42 n GLY 61 Ca 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 46.02 43.75 2k42 n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k42 h LEU 62 N 0.00 0.97 -1.22 0.99 5.85 -1.75 -2.23 115.31 117.92 2k42 h LEU 62 Ca 0.00 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 2k42 h LEU 62 Cb 0.00 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2k42 h LEU 62 CO 0.00 0.73 -0.23 -0.33 -0.34 0.00 0.00 178.44 178.27 2k42 h GLU 63 N 1.13 0.24 0.57 1.25 5.08 -1.87 -3.26 114.58 117.72 2k42 h GLU 63 Ca 0.30 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2k42 h GLU 63 Cb -0.07 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.16 2k42 h GLU 63 CO -0.06 0.47 -0.27 0.00 -1.00 0.00 0.00 179.01 178.15 2k42 h ALA 64 N 1.54 -0.76 -0.44 3.43 0.00 -1.66 -2.64 119.26 118.74 2k42 h ALA 64 Ca 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k42 h ALA 64 Cb 0.54 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2k42 h ALA 64 CO 0.04 -0.90 0.25 0.28 0.00 0.00 0.00 179.25 178.91 2k42 h VAL 65 N -0.81 1.13 -0.15 0.00 2.07 -1.63 0.17 116.25 117.04 2k42 h VAL 65 Ca -0.08 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 2k42 h VAL 65 Cb 0.60 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2k42 h VAL 65 CO 0.13 0.14 -0.25 0.03 0.02 0.00 0.00 177.57 177.64 2k42 h ARG 66 N 0.60 0.27 0.00 1.57 3.08 -1.59 -3.22 114.38 115.09 2k42 h ARG 66 Ca 0.16 -0.09 -0.26 0.00 0.07 0.00 0.00 59.98 59.86 2k42 h ARG 66 Cb -0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 2k42 h ARG 66 CO -0.03 0.50 -1.87 1.04 -1.07 0.00 0.00 179.97 178.54 2k42 n GLN 67 N -4.16 0.65 0.23 0.04 6.02 0.07 -4.12 117.38 116.11 2k42 n GLN 67 Ca -0.01 0.14 0.16 0.00 -0.01 0.00 0.00 57.00 57.28 2k42 n GLN 67 Cb 0.36 -1.69 0.78 0.00 1.02 0.00 0.00 30.24 30.72 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 -0.95 -1.09 5.08 -0.78 0.13 114.58 116.98 2k42 h GLU 68 Ca -0.32 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.23 2k42 h GLU 68 Cb 1.89 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.06 2k42 h GLU 68 CO 0.05 0.00 0.60 0.52 -1.00 0.00 0.00 179.01 179.18 2k42 h MET 69 N 0.00 0.60 0.00 2.33 2.86 -1.72 -1.36 114.93 117.64 2k42 h MET 69 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2k42 h MET 69 Cb 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2k42 h MET 69 CO 0.00 0.40 -0.00 2.89 1.06 0.00 0.00 176.91 181.25 2k42 n ARG 70 N -4.61 2.14 -0.08 1.72 1.85 -0.07 -4.73 116.66 112.88 2k42 n ARG 70 Ca 0.20 -2.00 -0.15 0.00 -1.00 0.00 0.00 57.85 54.91 2k42 n ARG 70 Cb 0.60 -1.23 -0.05 0.00 -1.05 0.00 0.00 32.46 30.73 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 -0.94 0.40 -0.45 2.89 0.00 -0.59 -5.13 116.66 112.85 2k42 n ARG 71 Ca 0.08 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 2k42 n ARG 71 Cb 0.44 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.71 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57