#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk0 s ILE 4 N 0.00 4.48 -0.24 -0.18 1.01 -1.26 -4.60 121.20 120.41 1tk0 s ILE 4 Ca 0.00 1.90 -0.18 0.00 0.00 0.00 0.00 60.65 62.36 1tk0 s ILE 4 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1tk0 s ILE 4 CO 0.00 0.39 0.53 -0.63 0.00 0.00 0.00 174.94 175.23 1tk0 s ILE 5 N -0.36 5.07 -0.59 2.92 1.01 0.00 -4.97 121.20 124.28 1tk0 s ILE 5 Ca 0.42 0.93 -0.21 0.00 0.00 0.00 0.00 60.65 61.79 1tk0 s ILE 5 Cb -0.23 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.47 1tk0 s ILE 5 CO 0.28 0.11 0.81 -1.00 0.00 0.00 0.00 174.94 175.14 1tk0 s HIS 6 N 2.08 2.86 0.73 3.97 3.76 -1.26 -0.81 115.29 126.63 1tk0 s HIS 6 Ca 0.23 -0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 54.46 1tk0 s HIS 6 Cb -0.16 -4.00 0.03 0.00 1.11 0.00 0.00 32.58 29.56 1tk0 s HIS 6 CO 0.09 -1.36 1.12 -0.51 -0.85 0.00 0.00 174.74 173.23 1tk0 s LEU 7 N 3.36 2.79 0.13 0.89 1.43 -0.34 -4.98 118.68 121.96 1tk0 s LEU 7 Ca 0.19 1.04 -0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1tk0 s LEU 7 Cb -0.18 -3.76 -0.04 0.00 0.03 0.00 0.00 46.19 42.24 1tk0 s LEU 7 CO 0.11 -1.50 0.04 0.42 0.23 0.00 0.00 176.35 175.65 1tk0 s THR 8 N -3.41 0.19 0.21 5.49 -4.23 -1.26 -4.71 115.64 107.92 1tk0 s THR 8 Ca 0.59 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 59.10 1tk0 s THR 8 Cb -0.11 -1.99 0.15 0.00 1.34 0.00 0.00 72.50 71.88 1tk0 s THR 8 CO 0.51 -0.53 1.83 0.44 -0.54 0.00 0.00 174.62 176.33 1tk0 h ASP 9 N 2.88 0.65 1.18 3.99 3.32 -1.91 -1.74 116.42 124.79 1tk0 h ASP 9 Ca -0.35 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1tk0 h ASP 9 Cb 1.19 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1tk0 h ASP 9 CO 0.60 0.44 0.00 0.44 -1.72 0.00 0.00 179.24 179.00 1tk0 h ASP 10 N 0.79 0.00 -0.02 6.45 3.32 -2.01 -3.13 116.42 121.82 1tk0 h ASP 10 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1tk0 h ASP 10 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1tk0 h ASP 10 CO -0.14 0.00 -0.04 -1.54 -1.72 0.00 0.00 179.24 175.80 1tk0 n SER 11 N -2.62 2.00 -0.09 6.45 3.41 -1.03 -4.63 113.62 117.11 1tk0 n SER 11 Ca 0.03 -1.50 -0.09 0.00 -0.26 0.00 0.00 58.87 57.05 1tk0 n SER 11 Cb 0.34 0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1tk0 n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1tk0 h PHE 12 N 2.44 0.39 0.12 7.33 3.04 -1.27 -1.06 116.94 127.94 1tk0 h PHE 12 Ca 0.00 0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.98 1tk0 h PHE 12 Cb 0.54 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.88 1tk0 h PHE 12 CO 0.00 0.24 -0.33 0.22 -2.02 0.00 0.00 178.31 176.42 1tk0 h ASP 13 N 0.42 -0.95 0.93 0.41 1.82 -1.82 0.18 116.42 117.41 1tk0 h ASP 13 Ca 0.12 0.11 -0.15 0.00 -0.39 0.00 0.00 57.03 56.72 1tk0 h ASP 13 Cb -0.04 0.36 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 1tk0 h ASP 13 CO -0.04 -0.42 -0.73 0.71 -1.61 0.00 0.00 179.24 177.16 1tk0 h THR 14 N -0.56 1.40 0.00 2.25 1.35 -1.87 -0.16 112.91 115.33 1tk0 h THR 14 Ca 0.03 -2.60 -0.06 0.00 -0.55 0.00 0.00 66.41 63.23 1tk0 h THR 14 Cb 0.59 2.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 1tk0 h THR 14 CO -0.19 0.71 -0.36 0.44 -0.25 0.00 0.00 175.52 175.87 1tk0 h ASP 15 N 0.00 0.00 0.00 5.36 3.32 -1.08 -3.28 116.42 120.74 1tk0 h ASP 15 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1tk0 h ASP 15 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1tk0 h ASP 15 CO 0.09 0.28 -0.06 0.52 -1.72 0.00 0.00 179.24 178.36 1tk0 n VAL 16 N -3.14 0.94 0.30 -1.35 0.31 0.04 -4.41 118.33 111.03 1tk0 n VAL 16 Ca 0.02 0.30 0.18 0.00 -0.01 0.00 0.00 64.34 64.84 1tk0 n VAL 16 Cb 0.65 -1.49 0.89 0.00 -0.91 0.00 0.00 33.84 32.98 1tk0 n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1tk0 h LEU 17 N -0.06 0.00 -1.77 7.52 3.38 -1.04 -2.03 115.31 121.31 1tk0 h LEU 17 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tk0 h LEU 17 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1tk0 h LEU 17 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1tk0 n LYS 18 N -2.85 0.54 -0.32 1.13 5.02 -0.65 -2.58 118.16 118.46 1tk0 n LYS 18 Ca -0.01 -0.89 0.17 0.00 -2.02 0.00 0.00 58.31 55.56 1tk0 n LYS 18 Cb 0.14 -1.00 0.35 0.00 -0.02 0.00 0.00 35.03 34.51 1tk0 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tk0 h ALA 19 N 0.01 1.44 -5.27 7.82 0.00 -1.42 -3.47 119.26 118.37 1tk0 h ALA 19 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1tk0 h ALA 19 Cb 0.19 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1tk0 h ALA 19 CO 0.00 -0.59 -0.30 -3.47 0.00 0.00 0.00 179.25 174.90 1tk0 n ASP 20 N -5.30 -7.80 0.00 0.00 2.03 -1.26 -4.99 116.55 99.24 1tk0 n ASP 20 Ca 0.25 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1tk0 n ASP 20 Cb 0.83 -5.29 0.00 0.00 -0.72 0.00 0.00 41.12 35.93 1tk0 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1tk0 n GLY 21 N -0.88 1.41 3.69 0.27 0.00 -1.26 -5.04 105.19 103.37 1tk0 n GLY 21 Ca 0.07 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 1tk0 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk0 s ALA 22 N -1.83 3.38 -0.11 4.61 0.00 -1.26 -4.21 121.76 122.33 1tk0 s ALA 22 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 1tk0 s ALA 22 Cb 0.00 -3.16 0.02 0.00 0.00 0.00 0.00 23.12 19.98 1tk0 s ALA 22 CO 0.00 -0.38 -0.09 0.42 0.00 0.00 0.00 175.76 175.71 1tk0 s ILE 23 N 1.46 1.09 -0.34 0.00 -1.09 -0.64 -0.95 121.20 120.73 1tk0 s ILE 23 Ca 0.41 -0.34 -0.15 0.00 -2.23 0.00 0.00 60.65 58.34 1tk0 s ILE 23 Cb -0.18 -1.09 -0.01 0.00 -1.58 0.00 0.00 42.46 39.60 1tk0 s ILE 23 CO 0.17 0.38 0.35 -0.22 -1.23 0.00 0.00 174.94 174.39 1tk0 s LEU 24 N 1.59 4.45 -0.18 2.97 2.96 0.37 0.10 118.68 130.94 1tk0 s LEU 24 Ca 0.03 -0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1tk0 s LEU 24 Cb -0.13 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1tk0 s LEU 24 CO -0.07 -0.32 0.07 -0.69 -1.32 0.00 0.00 176.35 174.01 1tk0 s VAL 25 N 1.98 4.87 -0.41 1.68 1.01 0.20 -0.47 120.40 129.25 1tk0 s VAL 25 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1tk0 s VAL 25 Cb -0.17 -3.19 0.09 0.00 0.00 0.00 0.00 36.38 33.11 1tk0 s VAL 25 CO 0.11 0.46 0.24 -0.62 0.00 0.00 0.00 175.10 175.30 1tk0 s ASP 26 N 0.33 5.51 -0.30 3.32 2.15 0.25 -0.77 116.67 127.15 1tk0 s ASP 26 Ca 0.04 -1.65 -0.27 0.00 0.43 0.00 0.00 52.55 51.11 1tk0 s ASP 26 Cb -0.12 -1.94 0.01 0.00 -0.30 0.00 0.00 42.92 40.57 1tk0 s ASP 26 CO -0.00 -0.54 0.96 -0.36 -0.17 0.00 0.00 175.17 175.06 1tk0 s PHE 27 N 1.35 3.19 0.20 -5.34 0.40 0.03 -1.63 117.98 116.18 1tk0 s PHE 27 Ca 0.04 1.07 0.04 0.00 -0.60 0.00 0.00 56.93 57.48 1tk0 s PHE 27 Cb -0.23 -3.45 -0.02 0.00 0.51 0.00 0.00 43.02 39.83 1tk0 s PHE 27 CO 0.00 -0.65 0.16 -2.67 0.70 0.00 0.00 175.22 172.76 1tk0 n TRP 28 N 6.54 -0.42 -3.64 0.36 4.27 -1.00 -1.66 117.44 121.89 1tk0 n TRP 28 Ca 0.09 -1.65 -0.15 0.00 -3.89 0.00 0.00 57.50 51.90 1tk0 n TRP 28 Cb 0.47 0.16 -0.08 0.00 -1.36 0.00 0.00 31.31 30.50 1tk0 n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tk0 s ALA 29 N -2.79 -1.42 0.50 -1.67 0.00 -1.26 -1.44 121.76 113.68 1tk0 s ALA 29 Ca 0.23 1.28 0.35 0.00 0.00 0.00 0.00 51.96 53.81 1tk0 s ALA 29 Cb 0.01 -0.44 1.86 0.00 0.00 0.00 0.00 23.12 24.55 1tk0 s ALA 29 CO 0.16 -0.30 2.21 1.49 0.00 0.00 0.00 175.76 179.31 1tk0 h GLU 30 N 4.24 0.00 -0.31 0.00 4.57 -2.00 -2.79 114.58 118.29 1tk0 h GLU 30 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1tk0 h GLU 30 Cb 1.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1tk0 h GLU 30 CO 0.27 0.04 0.00 -2.67 -1.18 0.00 0.00 179.01 175.47 1tk0 n TRP 31 N -3.43 0.40 -3.49 0.92 4.27 -1.26 -4.90 117.44 109.95 1tk0 n TRP 31 Ca -0.02 -0.20 -0.37 0.00 -3.89 0.00 0.00 57.50 53.02 1tk0 n TRP 31 Cb 0.15 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.02 1tk0 n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tk0 h GLY 33 N 7.49 -1.03 0.46 0.00 0.00 -1.90 -2.55 103.07 105.53 1tk0 h GLY 33 Ca -0.37 0.42 0.16 0.00 0.00 0.00 0.00 47.33 47.53 1tk0 h GLY 33 CO 0.70 -0.37 0.58 -2.55 0.00 0.00 0.00 176.54 174.91 1tk0 h PRO 34 N -0.96 0.64 -0.54 4.80 0.11 -1.94 -1.54 132.00 132.56 1tk0 h PRO 34 Ca -0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1tk0 h PRO 34 Cb 0.77 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1tk0 h PRO 34 CO 0.10 0.42 0.25 0.00 -0.21 0.00 0.00 178.00 178.56 1tk0 h LYS 36 N 0.72 0.45 0.34 0.00 3.64 -0.89 -2.15 116.57 118.68 1tk0 h LYS 36 Ca 0.18 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1tk0 h LYS 36 Cb 0.13 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1tk0 h LYS 36 CO -0.02 0.59 -0.16 0.52 -2.27 0.00 0.00 179.45 178.10 1tk0 h MET 37 N 0.41 -0.44 0.00 1.90 2.86 -0.76 -3.10 114.93 115.81 1tk0 h MET 37 Ca 0.08 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1tk0 h MET 37 Cb 0.50 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1tk0 h MET 37 CO 0.03 -0.25 0.00 0.97 1.06 0.00 0.00 176.91 178.72 1tk0 h ILE 38 N -0.54 0.00 -0.37 -1.22 2.10 -1.28 -3.34 117.51 112.86 1tk0 h ILE 38 Ca -0.05 -0.47 0.07 0.00 1.08 0.00 0.00 64.86 65.50 1tk0 h ILE 38 Cb 0.40 1.36 -0.09 0.00 -1.09 0.00 0.00 36.82 37.41 1tk0 h ILE 38 CO 0.08 0.00 -0.37 0.00 -1.08 0.00 0.00 178.15 176.78 1tk0 h ALA 39 N 2.23 -0.30 0.00 0.18 0.00 -1.30 -0.14 119.26 119.93 1tk0 h ALA 39 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1tk0 h ALA 39 Cb 0.58 0.77 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1tk0 h ALA 39 CO 0.00 -0.79 -0.10 -1.35 0.00 0.00 0.00 179.25 177.02 1tk0 h PRO 40 N -0.30 0.00 -0.27 0.00 0.11 -1.75 -2.23 132.00 127.56 1tk0 h PRO 40 Ca 0.15 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.13 1tk0 h PRO 40 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1tk0 h PRO 40 CO -0.53 0.10 -0.38 0.82 -0.21 0.00 0.00 178.00 177.79 1tk0 h ILE 41 N 0.00 1.29 -0.42 4.15 1.08 -1.26 -3.01 117.51 119.34 1tk0 h ILE 41 Ca -0.00 -1.54 -0.14 0.00 -0.39 0.00 0.00 64.86 62.79 1tk0 h ILE 41 Cb 0.20 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1tk0 h ILE 41 CO 0.01 0.49 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.61 1tk0 h LEU 42 N 0.52 0.98 -1.56 1.44 3.38 -0.74 -0.95 115.31 118.39 1tk0 h LEU 42 Ca 0.05 -0.43 0.14 0.00 0.09 0.00 0.00 57.88 57.73 1tk0 h LEU 42 Cb 0.89 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1tk0 h LEU 42 CO 0.08 1.20 0.50 0.44 0.09 0.00 0.00 178.44 180.75 1tk0 h ASP 43 N 0.77 0.42 0.21 -0.43 3.32 -1.33 -0.91 116.42 118.47 1tk0 h ASP 43 Ca 0.08 0.02 -0.35 0.00 0.02 0.00 0.00 57.03 56.81 1tk0 h ASP 43 Cb 0.87 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1tk0 h ASP 43 CO 0.08 0.22 -1.80 -0.33 -1.72 0.00 0.00 179.24 175.68 1tk0 h GLU 44 N 0.44 0.33 -0.56 3.56 5.08 -1.44 -3.29 114.58 118.71 1tk0 h GLU 44 Ca 0.37 -0.57 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1tk0 h GLU 44 Cb 0.80 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1tk0 h GLU 44 CO -0.12 1.24 0.37 0.82 -1.00 0.00 0.00 179.01 180.32 1tk0 h ILE 45 N 0.09 0.98 0.05 3.13 1.08 -0.59 -1.74 117.51 120.51 1tk0 h ILE 45 Ca -0.36 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1tk0 h ILE 45 Cb 2.07 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 1tk0 h ILE 45 CO 0.15 0.09 -0.02 0.00 -0.69 0.00 0.00 178.15 177.68 1tk0 h ALA 46 N 1.70 -0.06 0.27 1.87 0.00 -1.30 -1.39 119.26 120.34 1tk0 h ALA 46 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1tk0 h ALA 46 Cb 0.31 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1tk0 h ALA 46 CO -0.07 -0.44 -0.49 -0.44 0.00 0.00 0.00 179.25 177.82 1tk0 h ASP 47 N -0.26 -1.41 0.37 0.00 5.19 -1.41 -2.29 116.42 116.61 1tk0 h ASP 47 Ca -0.01 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 1tk0 h ASP 47 Cb 0.23 0.50 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 1tk0 h ASP 47 CO 0.01 -0.57 -0.45 -0.33 -3.12 0.00 0.00 179.24 174.78 1tk0 h GLU 48 N -0.81 -0.81 -0.03 3.56 5.08 -1.38 -2.72 114.58 117.47 1tk0 h GLU 48 Ca -0.03 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1tk0 h GLU 48 Cb 0.76 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1tk0 h GLU 48 CO -0.18 -0.54 0.00 0.66 -1.00 0.00 0.00 179.01 177.95 1tk0 n TYR 49 N -5.14 0.00 -1.67 4.33 4.02 -0.53 -4.81 117.16 113.36 1tk0 n TYR 49 Ca -0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.36 1tk0 n TYR 49 Cb 0.40 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 1tk0 n TYR 49 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1tk0 s GLN 50 N -1.95 3.56 0.00 -0.72 0.74 -0.86 -2.33 119.66 118.11 1tk0 s GLN 50 Ca 0.00 2.22 0.00 0.00 0.05 0.00 0.00 55.36 57.63 1tk0 s GLN 50 Cb 0.00 -4.27 0.00 0.00 1.10 0.00 0.00 33.01 29.84 1tk0 s GLN 50 CO 0.00 -1.61 0.00 0.41 -0.55 0.00 0.00 175.29 173.54 1tk0 n GLY 51 N 5.22 4.36 0.04 2.59 0.00 -1.26 -4.89 105.19 111.25 1tk0 n GLY 51 Ca 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1tk0 n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tk0 n LYS 52 N 0.00 -0.19 -3.62 1.61 2.85 -0.98 -5.04 118.16 112.79 1tk0 n LYS 52 Ca 0.00 -0.73 -0.15 0.00 -1.05 0.00 0.00 58.31 56.38 1tk0 n LYS 52 Cb 0.00 -1.02 -0.07 0.00 -0.65 0.00 0.00 35.03 33.29 1tk0 n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1tk0 s LEU 53 N -0.24 -0.64 -0.14 -5.58 0.20 -1.02 -4.43 118.68 106.83 1tk0 s LEU 53 Ca 0.01 1.27 -0.01 0.00 0.69 0.00 0.00 54.13 56.10 1tk0 s LEU 53 Cb 0.01 2.40 -0.01 0.00 -0.43 0.00 0.00 46.19 48.15 1tk0 s LEU 53 CO 0.01 -0.30 -0.12 -0.89 -0.29 0.00 0.00 176.35 174.76 1tk0 s THR 54 N 0.09 3.14 -0.24 3.68 2.01 -0.13 -4.38 115.64 119.81 1tk0 s THR 54 Ca -0.02 -0.62 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 1tk0 s THR 54 Cb -0.04 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1tk0 s THR 54 CO 0.02 0.51 0.13 -0.69 -0.69 0.00 0.00 174.62 173.91 1tk0 s VAL 55 N 0.46 5.01 0.08 3.82 1.01 -1.26 -0.48 120.40 129.03 1tk0 s VAL 55 Ca -0.09 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.03 1tk0 s VAL 55 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1tk0 s VAL 55 CO 0.04 0.34 -0.19 0.00 0.00 0.00 0.00 175.10 175.29 1tk0 s ALA 56 N 1.27 1.65 0.04 5.51 0.00 0.38 -0.82 121.76 129.80 1tk0 s ALA 56 Ca 0.06 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.97 1tk0 s ALA 56 Cb -0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1tk0 s ALA 56 CO 0.06 0.33 -0.23 0.15 0.00 0.00 0.00 175.76 176.06 1tk0 s LYS 57 N -1.63 1.61 -0.18 0.00 1.02 0.01 -0.58 119.74 119.99 1tk0 s LYS 57 Ca 0.05 -0.99 -0.03 0.00 0.02 0.00 0.00 55.97 55.02 1tk0 s LYS 57 Cb -0.09 -1.73 0.06 0.00 -0.52 0.00 0.00 37.83 35.54 1tk0 s LYS 57 CO 0.03 0.45 0.03 -1.17 -0.92 0.00 0.00 175.35 173.77 1tk0 s LEU 58 N -1.11 1.10 -0.39 3.17 2.96 -0.65 -1.19 118.68 122.57 1tk0 s LEU 58 Ca 0.09 -0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 52.97 1tk0 s LEU 58 Cb -0.09 -0.57 0.02 0.00 0.50 0.00 0.00 46.19 46.04 1tk0 s LEU 58 CO 0.02 -0.30 1.25 0.21 -1.32 0.00 0.00 176.35 176.21 1tk0 s ASN 59 N 1.88 6.59 0.14 3.68 3.84 -1.26 -2.37 114.94 127.44 1tk0 s ASN 59 Ca -0.00 0.83 0.14 0.00 0.21 0.00 0.00 52.86 54.03 1tk0 s ASN 59 Cb -0.17 -2.54 0.66 0.00 -0.55 0.00 0.00 41.25 38.65 1tk0 s ASN 59 CO -0.08 -1.22 1.43 2.30 -2.79 0.00 0.00 177.10 176.74 1tk0 n ILE 60 N 6.63 1.28 -0.04 -5.21 -5.35 -0.52 -0.96 119.36 115.19 1tk0 n ILE 60 Ca 0.14 0.45 -0.18 0.00 -0.27 0.00 0.00 62.75 62.89 1tk0 n ILE 60 Cb 0.48 -1.38 -0.13 0.00 -1.74 0.00 0.00 39.64 36.86 1tk0 n ILE 60 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1tk0 h ASP 61 N 0.00 0.17 0.97 7.28 3.32 -1.91 -3.14 116.42 123.11 1tk0 h ASP 61 Ca 0.00 -0.89 -0.13 0.00 0.02 0.00 0.00 57.03 56.03 1tk0 h ASP 61 Cb 0.13 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1tk0 h ASP 61 CO 0.00 1.27 -0.62 1.56 -1.72 0.00 0.00 179.24 179.72 1tk0 h GLN 62 N -0.75 0.00 -2.80 3.56 4.20 -1.90 -3.37 115.11 114.06 1tk0 h GLN 62 Ca -0.14 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.97 1tk0 h GLN 62 Cb 1.32 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.69 1tk0 h GLN 62 CO 0.01 0.62 -0.73 -0.80 -0.67 0.00 0.00 178.83 177.26 1tk0 s ASN 63 N -6.61 3.47 0.00 1.46 0.01 -0.13 -4.92 114.94 108.22 1tk0 s ASN 63 Ca 0.01 -3.53 0.24 0.00 -0.71 0.00 0.00 52.86 48.87 1tk0 s ASN 63 Cb 0.10 -1.15 1.06 0.00 0.41 0.00 0.00 41.25 41.67 1tk0 s ASN 63 CO 0.75 -0.12 1.78 -0.81 -1.51 0.00 0.00 177.10 177.19 1tk0 n PRO 64 N 2.34 0.05 0.13 -0.60 -0.04 -1.19 -4.10 135.00 131.59 1tk0 n PRO 64 Ca 0.23 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1tk0 n PRO 64 Cb 0.40 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.40 1tk0 n PRO 64 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tk0 h GLY 65 N 4.16 0.00 0.00 0.55 0.00 -1.93 -3.42 103.07 102.43 1tk0 h GLY 65 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1tk0 h GLY 65 CO 0.00 0.00 -0.54 -0.84 0.00 0.00 0.00 176.54 175.16 1tk0 h THR 66 N 0.00 1.40 -0.67 4.70 2.02 -1.94 -3.40 112.91 115.02 1tk0 h THR 66 Ca -0.01 -2.26 0.14 0.00 0.77 0.00 0.00 66.41 65.05 1tk0 h THR 66 Cb 1.06 2.86 -0.11 0.00 -1.74 0.00 0.00 68.15 70.22 1tk0 h THR 66 CO 0.01 0.48 0.05 0.00 0.37 0.00 0.00 175.52 176.42 1tk0 h ALA 67 N -0.22 0.73 -0.96 6.16 0.00 -1.81 -1.97 119.26 121.19 1tk0 h ALA 67 Ca -0.15 0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.21 1tk0 h ALA 67 Cb 1.12 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1tk0 h ALA 67 CO -0.09 -0.38 0.67 -1.35 0.00 0.00 0.00 179.25 178.09 1tk0 h PRO 68 N 0.15 0.16 0.00 0.00 0.11 -1.80 0.11 132.00 130.73 1tk0 h PRO 68 Ca 0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1tk0 h PRO 68 Cb 0.61 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1tk0 h PRO 68 CO -0.55 0.11 0.00 1.63 -0.21 0.00 0.00 178.00 178.98 1tk0 n LYS 69 N -4.38 0.26 -0.10 1.05 5.02 -0.74 -2.48 118.16 116.80 1tk0 n LYS 69 Ca 0.21 0.11 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1tk0 n LYS 69 Cb 0.92 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.55 1tk0 n LYS 69 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1tk0 n TYR 70 N -1.29 0.00 -4.08 2.13 4.01 0.37 -5.00 117.16 113.30 1tk0 n TYR 70 Ca 0.09 -0.88 -0.32 0.00 -0.16 0.00 0.00 57.90 56.63 1tk0 n TYR 70 Cb 0.15 -0.13 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 1tk0 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tk0 n GLY 71 N -1.26 -0.39 3.68 2.72 0.00 -1.04 -4.83 105.19 104.06 1tk0 n GLY 71 Ca 0.14 0.15 -0.46 0.00 0.00 0.00 0.00 46.02 45.84 1tk0 n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1tk0 n ILE 72 N -4.45 0.61 0.12 -0.61 2.08 -1.23 -4.82 119.36 111.07 1tk0 n ILE 72 Ca -0.04 -0.11 0.03 0.00 0.56 0.00 0.00 62.75 63.19 1tk0 n ILE 72 Cb 0.55 -2.00 -0.04 0.00 -0.75 0.00 0.00 39.64 37.40 1tk0 n ILE 72 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1tk0 n ARG 73 N 6.77 2.34 -3.54 0.38 0.00 -1.26 -4.97 116.66 116.37 1tk0 n ARG 73 Ca 0.22 -0.03 -0.12 0.00 -0.00 0.00 0.00 57.85 57.91 1tk0 n ARG 73 Cb 0.33 -0.98 -0.04 0.00 0.00 0.00 0.00 32.46 31.77 1tk0 n ARG 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1tk0 s GLY 74 N -2.19 -0.45 0.08 5.14 0.00 -1.26 -5.18 107.32 103.46 1tk0 s GLY 74 Ca -0.00 0.40 0.03 0.00 0.00 0.00 0.00 44.72 45.15 1tk0 s GLY 74 CO 0.25 0.10 -0.09 -0.26 0.00 0.00 0.00 173.10 173.10 1tk0 s ILE 75 N -3.19 0.80 0.31 0.90 -4.36 -1.26 -3.89 121.20 110.50 1tk0 s ILE 75 Ca -0.01 -1.47 -0.29 0.00 -0.26 0.00 0.00 60.65 58.62 1tk0 s ILE 75 Cb -0.00 -1.13 -0.10 0.00 1.25 0.00 0.00 42.46 42.48 1tk0 s ILE 75 CO -0.08 -0.51 1.18 -2.16 0.24 0.00 0.00 174.94 173.62 1tk0 s PRO 76 N -2.43 4.50 -0.20 0.37 0.04 -1.26 -4.72 135.00 131.30 1tk0 s PRO 76 Ca 0.01 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.95 1tk0 s PRO 76 Cb -0.05 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 1tk0 s PRO 76 CO -0.00 0.03 0.02 0.99 0.04 0.00 0.00 177.00 178.08 1tk0 s THR 77 N -1.17 4.19 -0.33 1.26 2.01 -0.66 -1.88 115.64 119.05 1tk0 s THR 77 Ca 0.47 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 1tk0 s THR 77 Cb -0.35 -2.90 0.02 0.00 0.01 0.00 0.00 72.50 69.28 1tk0 s THR 77 CO 0.46 0.42 0.13 -0.76 -0.69 0.00 0.00 174.62 174.18 1tk0 s LEU 78 N 0.92 4.26 -0.19 4.42 1.43 -0.07 -0.79 118.68 128.65 1tk0 s LEU 78 Ca 0.02 -0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 52.20 1tk0 s LEU 78 Cb -0.14 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1tk0 s LEU 78 CO 0.02 -0.28 -0.05 -0.76 0.23 0.00 0.00 176.35 175.51 1tk0 s LEU 79 N 1.50 2.99 -0.46 1.79 1.02 0.05 -1.41 118.68 124.16 1tk0 s LEU 79 Ca 0.02 -0.30 -0.16 0.00 0.02 0.00 0.00 54.13 53.70 1tk0 s LEU 79 Cb -0.18 -1.74 0.05 0.00 0.02 0.00 0.00 46.19 44.34 1tk0 s LEU 79 CO 0.04 0.06 0.43 -0.22 0.02 0.00 0.00 176.35 176.68 1tk0 s LEU 80 N 1.02 5.32 0.13 1.79 0.20 -0.01 0.59 118.68 127.71 1tk0 s LEU 80 Ca 0.00 -1.09 -0.16 0.00 0.69 0.00 0.00 54.13 53.57 1tk0 s LEU 80 Cb -0.15 -2.26 -0.07 0.00 -0.43 0.00 0.00 46.19 43.29 1tk0 s LEU 80 CO 0.00 -0.66 0.57 -0.36 -0.29 0.00 0.00 176.35 175.62 1tk0 s PHE 81 N 1.91 3.68 -0.20 5.38 0.40 0.28 -0.34 117.98 129.08 1tk0 s PHE 81 Ca 0.07 1.16 -0.05 0.00 -0.60 0.00 0.00 56.93 57.51 1tk0 s PHE 81 Cb -0.21 -2.43 0.07 0.00 0.51 0.00 0.00 43.02 40.96 1tk0 s PHE 81 CO 0.09 0.48 0.10 0.21 0.70 0.00 0.00 175.22 176.80 1tk0 s LYS 82 N -1.67 0.10 -0.87 0.44 2.47 -0.20 -1.62 119.74 118.40 1tk0 s LYS 82 Ca 0.35 -0.21 -0.05 0.00 -1.56 0.00 0.00 55.97 54.51 1tk0 s LYS 82 Cb -0.17 -1.64 -0.00 0.00 -1.46 0.00 0.00 37.83 34.56 1tk0 s LYS 82 CO 0.19 -0.77 0.69 0.09 0.16 0.00 0.00 175.35 175.72 1tk0 n ASN 83 N 5.27 -6.21 -0.72 1.43 4.13 -1.26 -2.33 115.26 115.57 1tk0 n ASN 83 Ca -0.07 -0.61 -0.08 0.00 1.68 0.00 0.00 54.58 55.51 1tk0 n ASN 83 Cb 0.47 -3.62 -0.03 0.00 -1.54 0.00 0.00 39.78 35.05 1tk0 n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tk0 n GLY 84 N -1.70 0.74 2.89 7.41 0.00 -1.06 -4.93 105.19 108.53 1tk0 n GLY 84 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1tk0 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tk0 s GLU 85 N -2.40 0.41 -0.04 1.61 2.02 -0.99 -4.93 118.70 114.38 1tk0 s GLU 85 Ca 0.00 -0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 1tk0 s GLU 85 Cb 0.00 -0.46 -0.07 0.00 0.10 0.00 0.00 34.13 33.69 1tk0 s GLU 85 CO 0.00 -0.01 1.95 0.08 0.02 0.00 0.00 175.26 177.29 1tk0 s VAL 86 N 0.45 3.14 -0.16 2.63 1.01 -1.26 -1.03 120.40 125.17 1tk0 s VAL 86 Ca -0.05 0.16 0.20 0.00 0.00 0.00 0.00 61.98 62.29 1tk0 s VAL 86 Cb -0.08 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 33.07 1tk0 s VAL 86 CO -0.01 -0.03 0.84 0.00 0.00 0.00 0.00 175.10 175.90 1tk0 n ALA 87 N 8.30 2.27 -3.61 5.51 0.00 0.54 -4.91 120.51 128.61 1tk0 n ALA 87 Ca 0.21 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1tk0 n ALA 87 Cb 0.42 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.86 1tk0 n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tk0 s ALA 88 N -3.17 -2.01 -0.01 0.00 0.00 -1.17 -5.00 121.76 110.40 1tk0 s ALA 88 Ca -0.03 1.72 0.01 0.00 0.00 0.00 0.00 51.96 53.66 1tk0 s ALA 88 Cb 0.10 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1tk0 s ALA 88 CO 0.82 -0.26 -0.04 -0.08 0.00 0.00 0.00 175.76 176.20 1tk0 s THR 89 N -0.71 0.36 -0.07 0.00 -1.32 -1.26 -0.83 115.64 111.82 1tk0 s THR 89 Ca 0.03 -0.17 -0.03 0.00 -1.21 0.00 0.00 61.69 60.31 1tk0 s THR 89 Cb -0.02 -0.33 0.04 0.00 -1.51 0.00 0.00 72.50 70.68 1tk0 s THR 89 CO -0.04 0.12 0.15 -0.75 -2.21 0.00 0.00 174.62 171.89 1tk0 s LYS 90 N 0.07 0.10 -0.21 7.08 2.47 -0.50 -5.02 119.74 123.72 1tk0 s LYS 90 Ca -0.00 0.39 -0.04 0.00 -1.56 0.00 0.00 55.97 54.76 1tk0 s LYS 90 Cb -0.04 -0.18 -0.01 0.00 -1.46 0.00 0.00 37.83 36.14 1tk0 s LYS 90 CO -0.00 -0.17 -0.04 0.08 0.16 0.00 0.00 175.35 175.38 1tk0 s VAL 91 N 1.19 3.46 0.00 4.02 1.01 -1.26 -0.90 120.40 127.93 1tk0 s VAL 91 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1tk0 s VAL 91 Cb -0.11 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.70 1tk0 s VAL 91 CO -0.06 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1tk0 n GLY 92 N 4.66 4.42 3.18 4.51 0.00 -0.79 -4.98 105.19 116.18 1tk0 n GLY 92 Ca -0.18 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1tk0 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk0 n ALA 93 N -1.90 4.07 -1.46 4.61 0.00 -1.26 -4.84 120.51 119.73 1tk0 n ALA 93 Ca 0.00 -3.68 -0.34 0.00 0.00 0.00 0.00 53.44 49.42 1tk0 n ALA 93 Cb 0.00 -3.57 0.07 0.00 0.00 0.00 0.00 19.45 15.95 1tk0 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tk0 s LEU 94 N 3.82 3.40 0.91 0.00 1.43 -1.26 -4.92 118.68 122.06 1tk0 s LEU 94 Ca 0.54 2.27 -0.14 0.00 -1.03 0.00 0.00 54.13 55.76 1tk0 s LEU 94 Cb 0.09 -4.58 0.17 0.00 0.03 0.00 0.00 46.19 41.90 1tk0 s LEU 94 CO 0.03 -1.98 1.27 -0.94 0.23 0.00 0.00 176.35 174.96 1tk0 s SER 95 N -2.10 3.50 0.09 2.29 1.04 -1.26 -4.78 113.70 112.49 1tk0 s SER 95 Ca 0.73 0.37 -0.33 0.00 0.48 0.00 0.00 55.95 57.20 1tk0 s SER 95 Cb -0.27 -0.54 -0.14 0.00 0.10 0.00 0.00 66.02 65.17 1tk0 s SER 95 CO 0.42 -2.50 1.52 0.50 0.98 0.00 0.00 173.24 174.17 1tk0 h LYS 96 N -1.46 -0.74 -0.15 4.02 1.63 -1.95 -1.46 116.57 116.46 1tk0 h LYS 96 Ca -0.45 0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.45 1tk0 h LYS 96 Cb 1.26 0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 33.01 1tk0 h LYS 96 CO 0.45 -0.50 -0.17 0.78 -3.45 0.00 0.00 179.45 176.56 1tk0 h GLY 97 N -0.77 -0.10 0.14 5.01 0.00 -1.99 -1.98 103.07 103.38 1tk0 h GLY 97 Ca -0.02 0.21 0.14 0.00 0.00 0.00 0.00 47.33 47.66 1tk0 h GLY 97 CO -0.23 -0.17 0.25 1.46 0.00 0.00 0.00 176.54 177.86 1tk0 h GLN 98 N -0.21 0.37 -0.56 4.80 4.20 -1.88 0.29 115.11 122.13 1tk0 h GLN 98 Ca 0.10 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 1tk0 h GLN 98 Cb 0.36 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1tk0 h GLN 98 CO -0.27 0.25 0.24 1.25 -0.67 0.00 0.00 178.83 179.63 1tk0 h LEU 99 N 0.38 0.75 -0.48 1.46 6.46 -0.89 -0.80 115.31 122.19 1tk0 h LEU 99 Ca 0.39 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 1tk0 h LEU 99 Cb 0.59 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1tk0 h LEU 99 CO -0.41 0.70 0.30 0.11 -0.62 0.00 0.00 178.44 178.51 1tk0 h LYS 100 N 0.76 0.58 -0.75 1.25 1.57 -0.30 0.17 116.57 119.85 1tk0 h LYS 100 Ca 0.19 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 1tk0 h LYS 100 Cb 0.16 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 1tk0 h LYS 100 CO -0.02 0.38 0.43 0.93 -0.57 0.00 0.00 179.45 180.60 1tk0 h GLU 101 N 0.59 0.74 -0.29 3.15 5.08 -0.01 0.69 114.58 124.53 1tk0 h GLU 101 Ca 0.19 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1tk0 h GLU 101 Cb -0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1tk0 h GLU 101 CO -0.07 0.49 0.06 0.35 -1.00 0.00 0.00 179.01 178.84 1tk0 h PHE 102 N 0.76 0.50 -0.33 4.33 3.57 -0.10 -2.05 116.94 123.61 1tk0 h PHE 102 Ca 0.34 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.66 1tk0 h PHE 102 Cb 0.24 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1tk0 h PHE 102 CO -0.07 0.55 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.20 1tk0 h LEU 103 N 0.31 0.72 -0.53 0.59 3.38 -0.19 -2.74 115.31 116.85 1tk0 h LEU 103 Ca 0.09 -0.28 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1tk0 h LEU 103 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1tk0 h LEU 103 CO 0.00 0.96 -0.64 0.44 0.09 0.00 0.00 178.44 179.30 1tk0 h ASP 104 N 0.60 0.42 1.18 -0.43 3.32 -0.86 -1.61 116.42 119.04 1tk0 h ASP 104 Ca 0.07 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1tk0 h ASP 104 Cb 0.79 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1tk0 h ASP 104 CO 0.06 0.95 -0.03 0.00 -1.72 0.00 0.00 179.24 178.50 1tk0 h ALA 105 N 1.05 1.00 -0.00 3.45 0.00 -1.27 -3.23 119.26 120.26 1tk0 h ALA 105 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1tk0 h ALA 105 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1tk0 h ALA 105 CO 0.11 0.04 -0.13 0.09 0.00 0.00 0.00 179.25 179.36 1tk0 n ASN 106 N -3.13 1.01 -0.88 0.00 3.02 -1.04 -5.09 115.26 109.15 1tk0 n ASN 106 Ca 0.01 -1.01 0.11 0.00 -0.03 0.00 0.00 54.58 53.66 1tk0 n ASN 106 Cb 0.36 0.45 0.09 0.00 -0.61 0.00 0.00 39.78 40.07 1tk0 n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82