#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk5 s ILE 4 N 0.00 4.97 -0.18 -0.18 1.01 -1.26 -4.59 121.20 120.96 1tk5 s ILE 4 Ca 0.00 1.62 -0.23 0.00 0.00 0.00 0.00 60.65 62.05 1tk5 s ILE 4 Cb 0.00 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1tk5 s ILE 4 CO 0.00 0.24 0.72 -0.63 0.00 0.00 0.00 174.94 175.27 1tk5 s ILE 5 N 0.78 4.96 -0.53 2.92 1.01 0.07 -4.96 121.20 125.45 1tk5 s ILE 5 Ca 0.41 1.38 -0.18 0.00 0.00 0.00 0.00 60.65 62.27 1tk5 s ILE 5 Cb -0.19 -4.03 0.08 0.00 0.01 0.00 0.00 42.46 38.33 1tk5 s ILE 5 CO 0.21 0.07 0.60 -1.00 0.00 0.00 0.00 174.94 174.83 1tk5 s HIS 6 N 2.01 3.08 0.77 3.97 3.76 -1.26 -0.30 115.29 127.33 1tk5 s HIS 6 Ca 0.33 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 54.30 1tk5 s HIS 6 Cb -0.16 -3.66 0.06 0.00 1.11 0.00 0.00 32.58 29.92 1tk5 s HIS 6 CO 0.11 -1.08 1.13 -0.51 -0.85 0.00 0.00 174.74 173.55 1tk5 s LEU 7 N 2.38 2.64 0.12 0.89 1.43 -0.28 -4.97 118.68 120.90 1tk5 s LEU 7 Ca 0.11 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.18 1tk5 s LEU 7 Cb -0.23 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 1tk5 s LEU 7 CO 0.08 -1.72 0.06 0.42 0.23 0.00 0.00 176.35 175.42 1tk5 s THR 8 N -3.43 0.12 0.26 5.49 -4.23 -1.26 -4.70 115.64 107.90 1tk5 s THR 8 Ca 0.60 -1.82 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1tk5 s THR 8 Cb -0.12 -1.90 0.26 0.00 1.34 0.00 0.00 72.50 72.08 1tk5 s THR 8 CO 0.51 -0.56 1.86 0.44 -0.54 0.00 0.00 174.62 176.33 1tk5 h ASP 9 N 2.89 0.94 1.18 3.99 3.32 -1.90 -1.78 116.42 125.05 1tk5 h ASP 9 Ca -0.35 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 1tk5 h ASP 9 Cb 1.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1tk5 h ASP 9 CO 0.59 0.57 -0.18 0.44 -1.72 0.00 0.00 179.24 178.95 1tk5 h ASP 10 N 1.06 0.00 0.00 6.45 3.32 -2.01 -3.24 116.42 122.00 1tk5 h ASP 10 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1tk5 h ASP 10 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1tk5 h ASP 10 CO -0.20 0.18 -1.13 -1.54 -1.72 0.00 0.00 179.24 174.83 1tk5 n SER 11 N -3.26 0.86 -0.01 6.45 3.41 -0.98 -4.60 113.62 115.47 1tk5 n SER 11 Ca 0.01 -0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 57.66 1tk5 n SER 11 Cb 0.46 1.14 -0.04 0.00 -0.26 0.00 0.00 64.21 65.51 1tk5 n SER 11 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1tk5 h PHE 12 N 0.00 -0.98 -0.56 7.33 3.04 -1.36 0.66 116.94 125.08 1tk5 h PHE 12 Ca 0.00 0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.11 1tk5 h PHE 12 Cb 0.57 0.45 -0.11 0.00 2.56 0.00 0.00 35.95 39.42 1tk5 h PHE 12 CO 0.00 -0.42 -0.13 0.22 -2.02 0.00 0.00 178.31 175.96 1tk5 h ASP 13 N -0.41 -0.51 0.54 0.41 1.82 -1.81 0.14 116.42 116.61 1tk5 h ASP 13 Ca 0.10 0.17 -0.28 0.00 -0.39 0.00 0.00 57.03 56.63 1tk5 h ASP 13 Cb 0.57 0.34 0.01 0.00 0.68 0.00 0.00 39.33 40.93 1tk5 h ASP 13 CO -0.39 -0.18 -1.25 0.71 -1.61 0.00 0.00 179.24 176.52 1tk5 h THR 14 N 0.01 1.46 0.00 2.25 1.35 -1.80 -0.87 112.91 115.31 1tk5 h THR 14 Ca 0.27 -2.95 -0.08 0.00 -0.55 0.00 0.00 66.41 63.10 1tk5 h THR 14 Cb 0.41 2.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.73 1tk5 h THR 14 CO -0.57 0.87 -0.39 0.44 -0.25 0.00 0.00 175.52 175.62 1tk5 h ASP 15 N 0.10 0.00 0.00 5.36 3.32 -0.59 -3.31 116.42 121.31 1tk5 h ASP 15 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1tk5 h ASP 15 Cb 1.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.52 1tk5 h ASP 15 CO 0.21 0.39 -0.11 0.52 -1.72 0.00 0.00 179.24 178.53 1tk5 n VAL 16 N -3.31 0.47 0.04 -1.35 0.31 0.46 -4.54 118.33 110.41 1tk5 n VAL 16 Ca 0.01 0.22 0.04 0.00 -0.01 0.00 0.00 64.34 64.60 1tk5 n VAL 16 Cb 0.61 -1.40 0.43 0.00 -0.91 0.00 0.00 33.84 32.58 1tk5 n VAL 16 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1tk5 h LEU 17 N -0.11 0.40 -3.42 7.52 3.38 -1.44 -2.98 115.31 118.66 1tk5 h LEU 17 Ca 0.00 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1tk5 h LEU 17 Cb 0.11 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 40.61 1tk5 h LEU 17 CO 0.00 0.33 -0.15 0.29 0.09 0.00 0.00 178.44 179.00 1tk5 n LYS 18 N -4.45 2.09 -3.65 1.13 5.02 -0.38 -2.72 118.16 115.20 1tk5 n LYS 18 Ca 0.02 -3.34 -0.20 0.00 -2.02 0.00 0.00 58.31 52.77 1tk5 n LYS 18 Cb 0.09 -1.89 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 1tk5 n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tk5 s ALA 19 N -3.34 4.00 0.11 7.82 0.00 -1.13 -4.90 121.76 124.33 1tk5 s ALA 19 Ca 0.46 -1.67 0.04 0.00 0.00 0.00 0.00 51.96 50.80 1tk5 s ALA 19 Cb 0.41 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1tk5 s ALA 19 CO -0.01 -0.07 0.09 0.16 0.00 0.00 0.00 175.76 175.94 1tk5 s ASP 20 N -4.08 5.45 0.00 0.00 1.47 -1.26 -4.54 116.67 113.72 1tk5 s ASP 20 Ca 0.44 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 54.09 1tk5 s ASP 20 Cb -0.06 -1.43 0.00 0.00 -0.34 0.00 0.00 42.92 41.09 1tk5 s ASP 20 CO 0.28 0.13 0.00 0.61 0.68 0.00 0.00 175.17 176.87 1tk5 n GLY 21 N 0.17 -0.87 3.76 2.12 0.00 -1.26 -4.90 105.19 104.21 1tk5 n GLY 21 Ca -0.09 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1tk5 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 s ALA 22 N -1.03 3.39 -0.11 4.61 0.00 -1.26 -4.36 121.76 123.01 1tk5 s ALA 22 Ca 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 1tk5 s ALA 22 Cb 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1tk5 s ALA 22 CO 0.00 0.25 -0.06 0.42 0.00 0.00 0.00 175.76 176.37 1tk5 s ILE 23 N -1.15 0.87 -0.31 0.00 -1.09 -0.60 -1.88 121.20 117.04 1tk5 s ILE 23 Ca 0.38 -0.20 -0.12 0.00 -2.23 0.00 0.00 60.65 58.48 1tk5 s ILE 23 Cb -0.25 -0.93 -0.03 0.00 -1.58 0.00 0.00 42.46 39.67 1tk5 s ILE 23 CO 0.29 0.33 0.24 -0.22 -1.23 0.00 0.00 174.94 174.36 1tk5 s LEU 24 N 1.77 4.24 -0.17 2.97 2.96 0.42 0.05 118.68 130.92 1tk5 s LEU 24 Ca 0.05 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1tk5 s LEU 24 Cb -0.13 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1tk5 s LEU 24 CO -0.08 -0.16 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.11 1tk5 s VAL 25 N 1.80 4.17 -0.30 1.68 1.01 0.84 -0.25 120.40 129.35 1tk5 s VAL 25 Ca 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1tk5 s VAL 25 Cb -0.17 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1tk5 s VAL 25 CO 0.11 0.47 0.05 -0.62 0.00 0.00 0.00 175.10 175.12 1tk5 s ASP 26 N 0.45 5.01 -0.29 3.32 2.15 0.02 -0.65 116.67 126.69 1tk5 s ASP 26 Ca -0.01 -0.91 -0.20 0.00 0.43 0.00 0.00 52.55 51.86 1tk5 s ASP 26 Cb -0.14 -1.82 -0.01 0.00 -0.30 0.00 0.00 42.92 40.65 1tk5 s ASP 26 CO 0.02 -0.22 0.62 -0.36 -0.17 0.00 0.00 175.17 175.06 1tk5 s PHE 27 N 1.42 3.24 0.27 -5.34 0.40 -0.21 -1.09 117.98 116.66 1tk5 s PHE 27 Ca 0.00 0.65 0.03 0.00 -0.60 0.00 0.00 56.93 57.01 1tk5 s PHE 27 Cb -0.18 -2.93 -0.03 0.00 0.51 0.00 0.00 43.02 40.39 1tk5 s PHE 27 CO 0.01 -0.42 0.21 1.67 0.70 0.00 0.00 175.22 177.40 1tk5 s TRP 28 N 2.55 1.42 -0.01 0.36 1.48 -0.95 -2.36 118.94 121.43 1tk5 s TRP 28 Ca 0.25 -1.50 -0.08 0.00 -1.06 0.00 0.00 56.10 53.71 1tk5 s TRP 28 Cb -0.15 -0.61 0.01 0.00 -1.16 0.00 0.00 33.47 31.56 1tk5 s TRP 28 CO 0.11 -0.77 0.16 0.00 -4.06 0.00 0.00 176.95 172.39 1tk5 s ALA 29 N -3.79 -0.39 0.45 2.67 0.00 -1.26 -1.29 121.76 118.14 1tk5 s ALA 29 Ca 0.39 0.04 0.16 0.00 0.00 0.00 0.00 51.96 52.55 1tk5 s ALA 29 Cb 0.05 0.02 1.05 0.00 0.00 0.00 0.00 23.12 24.24 1tk5 s ALA 29 CO 0.20 -0.19 2.00 1.49 0.00 0.00 0.00 175.76 179.26 1tk5 h GLU 30 N 4.57 0.00 -0.08 0.00 4.57 -2.01 -2.92 114.58 118.72 1tk5 h GLU 30 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1tk5 h GLU 30 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1tk5 h GLU 30 CO 0.40 0.18 0.00 -2.67 -1.18 0.00 0.00 179.01 175.74 1tk5 n TRP 31 N -4.24 0.09 -3.57 0.92 4.27 -1.26 -4.86 117.44 108.79 1tk5 n TRP 31 Ca -0.02 -0.05 -0.36 0.00 -3.89 0.00 0.00 57.50 53.18 1tk5 n TRP 31 Cb 0.25 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.12 1tk5 n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1tk5 h GLY 33 N 6.84 -0.07 0.85 0.00 0.00 -1.90 -2.96 103.07 105.83 1tk5 h GLY 33 Ca -0.40 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.01 1tk5 h GLY 33 CO 0.75 -0.03 0.62 -2.55 0.00 0.00 0.00 176.54 175.33 1tk5 h PRO 34 N -0.40 1.09 -0.63 4.80 0.11 -1.95 -2.11 132.00 132.92 1tk5 h PRO 34 Ca -0.01 -0.07 0.03 0.00 0.11 0.00 0.00 66.00 66.07 1tk5 h PRO 34 Cb 0.36 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 1tk5 h PRO 34 CO 0.01 0.72 0.39 0.00 -0.21 0.00 0.00 178.00 178.91 1tk5 h LYS 36 N 0.76 0.00 0.20 0.00 3.64 -1.23 -1.84 116.57 118.09 1tk5 h LYS 36 Ca 0.25 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1tk5 h LYS 36 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1tk5 h LYS 36 CO -0.11 0.26 -0.10 0.52 -2.27 0.00 0.00 179.45 177.76 1tk5 h MET 37 N 0.00 -0.26 0.00 1.90 2.86 -0.63 -3.21 114.93 115.59 1tk5 h MET 37 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1tk5 h MET 37 Cb 0.48 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1tk5 h MET 37 CO 0.03 0.04 0.00 0.97 1.06 0.00 0.00 176.91 179.01 1tk5 h ILE 38 N -0.56 0.00 -0.18 -1.22 2.10 -1.21 -3.33 117.51 113.11 1tk5 h ILE 38 Ca -0.03 -0.54 0.04 0.00 1.08 0.00 0.00 64.86 65.42 1tk5 h ILE 38 Cb 0.42 1.50 -0.07 0.00 -1.09 0.00 0.00 36.82 37.57 1tk5 h ILE 38 CO 0.05 0.00 -0.45 0.00 -1.08 0.00 0.00 178.15 176.67 1tk5 h ALA 39 N 2.07 -0.63 -0.97 0.18 0.00 -1.34 -0.69 119.26 117.89 1tk5 h ALA 39 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1tk5 h ALA 39 Cb 0.58 0.85 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 1tk5 h ALA 39 CO 0.00 -0.95 0.60 -1.35 0.00 0.00 0.00 179.25 177.55 1tk5 h PRO 40 N -0.48 0.95 -0.70 0.00 0.11 -1.74 -1.75 132.00 128.38 1tk5 h PRO 40 Ca 0.08 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1tk5 h PRO 40 Cb 0.63 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 1tk5 h PRO 40 CO -0.44 0.63 0.43 0.82 -0.21 0.00 0.00 178.00 179.22 1tk5 h ILE 41 N 0.97 1.20 -0.36 4.15 1.08 -1.49 -2.55 117.51 120.51 1tk5 h ILE 41 Ca 0.47 -0.43 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 1tk5 h ILE 41 Cb 0.43 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 1tk5 h ILE 41 CO -0.25 0.21 0.10 -0.07 -0.69 0.00 0.00 178.15 177.44 1tk5 h LEU 42 N 0.95 0.48 -0.91 1.44 3.38 -0.26 -1.81 115.31 118.58 1tk5 h LEU 42 Ca 0.25 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1tk5 h LEU 42 Cb -0.04 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1tk5 h LEU 42 CO -0.05 0.48 0.46 0.44 0.09 0.00 0.00 178.44 179.85 1tk5 h ASP 43 N 0.52 1.11 0.56 -0.43 3.32 -1.17 -1.57 116.42 118.75 1tk5 h ASP 43 Ca 0.12 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 1tk5 h ASP 43 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1tk5 h ASP 43 CO -0.01 0.90 -0.75 -0.33 -1.72 0.00 0.00 179.24 177.33 1tk5 h GLU 44 N 1.23 0.15 -0.20 3.56 5.08 -1.34 -3.17 114.58 119.90 1tk5 h GLU 44 Ca 0.30 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1tk5 h GLU 44 Cb 0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1tk5 h GLU 44 CO -0.05 0.83 -0.47 0.82 -1.00 0.00 0.00 179.01 179.15 1tk5 h ILE 45 N 0.10 1.31 -0.41 3.13 1.08 -0.99 -2.43 117.51 119.30 1tk5 h ILE 45 Ca -0.02 -1.68 -0.03 0.00 -0.39 0.00 0.00 64.86 62.75 1tk5 h ILE 45 Cb 1.32 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 1tk5 h ILE 45 CO 0.11 0.52 0.14 0.00 -0.69 0.00 0.00 178.15 178.24 1tk5 h ALA 46 N 1.07 1.49 0.09 1.87 0.00 -1.27 -2.15 119.26 120.36 1tk5 h ALA 46 Ca 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tk5 h ALA 46 Cb 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1tk5 h ALA 46 CO 0.09 0.39 -0.04 -0.44 0.00 0.00 0.00 179.25 179.24 1tk5 h ASP 47 N 0.58 -0.10 0.36 0.00 3.32 -1.52 -2.98 116.42 116.08 1tk5 h ASP 47 Ca 0.14 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1tk5 h ASP 47 Cb 0.15 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 1tk5 h ASP 47 CO -0.01 0.53 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.24 1tk5 h GLU 48 N -0.83 -0.82 -0.98 3.56 5.08 -1.36 -2.08 114.58 117.13 1tk5 h GLU 48 Ca -0.01 0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1tk5 h GLU 48 Cb 0.59 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1tk5 h GLU 48 CO 0.02 -0.55 0.00 0.66 -1.00 0.00 0.00 179.01 178.14 1tk5 n TYR 49 N -5.23 0.10 0.04 4.33 4.02 -0.82 -4.39 117.16 115.21 1tk5 n TYR 49 Ca -0.10 -0.08 0.01 0.00 -0.01 0.00 0.00 57.90 57.72 1tk5 n TYR 49 Cb 0.41 -0.13 0.06 0.00 -0.02 0.00 0.00 39.34 39.65 1tk5 n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1tk5 n GLN 50 N 0.07 0.02 -0.12 -0.72 7.27 -0.79 -1.38 117.38 121.72 1tk5 n GLN 50 Ca 0.01 0.28 -0.23 0.00 0.07 0.00 0.00 57.00 57.14 1tk5 n GLN 50 Cb 0.32 -1.87 -0.08 0.00 2.41 0.00 0.00 30.24 31.02 1tk5 n GLN 50 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1tk5 n GLY 51 N -1.22 -0.51 1.16 1.69 0.00 -1.26 -4.71 105.19 100.33 1tk5 n GLY 51 Ca -0.00 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1tk5 n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1tk5 n LYS 52 N -4.33 3.39 -3.71 1.61 2.85 -0.95 -4.97 118.16 112.05 1tk5 n LYS 52 Ca -0.41 -2.73 -0.12 0.00 -1.05 0.00 0.00 58.31 54.00 1tk5 n LYS 52 Cb 0.76 -1.79 -0.10 0.00 -0.65 0.00 0.00 35.03 33.25 1tk5 n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1tk5 s LEU 53 N -2.15 0.14 -0.14 -5.58 2.96 -0.48 -4.30 118.68 109.13 1tk5 s LEU 53 Ca 0.42 0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 55.24 1tk5 s LEU 53 Cb 0.30 1.53 -0.02 0.00 0.50 0.00 0.00 46.19 48.50 1tk5 s LEU 53 CO 0.16 -0.17 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.05 1tk5 s THR 54 N 0.57 3.54 -0.20 3.68 2.01 -0.79 -4.42 115.64 120.03 1tk5 s THR 54 Ca -0.03 -0.49 -0.05 0.00 0.31 0.00 0.00 61.69 61.44 1tk5 s THR 54 Cb -0.04 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1tk5 s THR 54 CO -0.03 0.51 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.71 1tk5 s VAL 55 N 0.34 3.93 0.13 3.82 1.01 -1.26 -0.43 120.40 127.94 1tk5 s VAL 55 Ca -0.07 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.67 1tk5 s VAL 55 Cb -0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1tk5 s VAL 55 CO 0.04 0.43 -0.19 0.00 0.00 0.00 0.00 175.10 175.39 1tk5 s ALA 56 N 0.98 1.86 0.01 5.51 0.00 0.65 -0.75 121.76 130.01 1tk5 s ALA 56 Ca 0.01 -1.36 0.05 0.00 0.00 0.00 0.00 51.96 50.66 1tk5 s ALA 56 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1tk5 s ALA 56 CO 0.02 0.27 -0.17 0.15 0.00 0.00 0.00 175.76 176.03 1tk5 s LYS 57 N -2.42 1.28 -0.19 0.00 1.02 0.59 -0.80 119.74 119.22 1tk5 s LYS 57 Ca 0.11 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.41 1tk5 s LYS 57 Cb -0.07 -1.27 0.05 0.00 -0.52 0.00 0.00 37.83 36.02 1tk5 s LYS 57 CO 0.05 0.34 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.64 1tk5 s LEU 58 N -0.66 1.61 -0.33 3.17 2.96 -0.25 -1.12 118.68 124.06 1tk5 s LEU 58 Ca 0.06 -0.84 -0.29 0.00 -0.22 0.00 0.00 54.13 52.84 1tk5 s LEU 58 Cb -0.07 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.82 1tk5 s LEU 58 CO 0.00 -0.25 1.23 0.21 -1.32 0.00 0.00 176.35 176.21 1tk5 s ASN 59 N 1.69 6.72 0.61 3.68 3.84 -1.26 -2.25 114.94 127.97 1tk5 s ASN 59 Ca -0.02 1.06 0.39 0.00 0.21 0.00 0.00 52.86 54.50 1tk5 s ASN 59 Cb -0.17 -2.54 1.88 0.00 -0.55 0.00 0.00 41.25 39.87 1tk5 s ASN 59 CO -0.07 -1.07 2.17 0.16 -2.79 0.00 0.00 177.10 175.50 1tk5 h ILE 60 N 5.96 0.00 0.23 -5.21 3.07 -1.42 -1.20 117.51 118.94 1tk5 h ILE 60 Ca -0.24 -0.27 -0.31 0.00 1.55 0.00 0.00 64.86 65.59 1tk5 h ILE 60 Cb 1.08 1.27 0.04 0.00 -0.27 0.00 0.00 36.82 38.94 1tk5 h ILE 60 CO 1.05 0.00 -1.35 0.44 -1.05 0.00 0.00 178.15 177.24 1tk5 h ASP 61 N 0.00 0.79 1.82 2.16 3.32 -1.91 -3.09 116.42 119.50 1tk5 h ASP 61 Ca -0.00 -0.92 -0.04 0.00 0.02 0.00 0.00 57.03 56.09 1tk5 h ASP 61 Cb 0.27 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1tk5 h ASP 61 CO 0.00 1.65 -0.18 1.56 -1.72 0.00 0.00 179.24 180.55 1tk5 h GLN 62 N 0.05 0.00 -2.51 3.56 4.20 -1.91 -3.38 115.11 115.13 1tk5 h GLN 62 Ca -0.23 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.88 1tk5 h GLN 62 Cb 2.07 0.00 -0.39 0.00 0.30 0.00 0.00 27.48 29.45 1tk5 h GLN 62 CO 0.25 0.18 -0.87 0.09 -0.67 0.00 0.00 178.83 177.81 1tk5 n ASN 63 N -3.14 0.59 0.10 1.46 3.02 -0.47 -4.90 115.26 111.91 1tk5 n ASN 63 Ca 0.03 -2.65 0.11 0.00 -0.03 0.00 0.00 54.58 52.05 1tk5 n ASN 63 Cb 0.60 -0.61 0.45 0.00 -0.61 0.00 0.00 39.78 39.61 1tk5 n ASN 63 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1tk5 n PRO 64 N 2.43 0.15 0.09 3.52 -0.04 -1.17 -4.01 135.00 135.98 1tk5 n PRO 64 Ca 0.27 0.36 -0.14 0.00 -0.04 0.00 0.00 63.50 63.94 1tk5 n PRO 64 Cb 0.45 -1.78 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 1tk5 n PRO 64 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1tk5 h GLY 65 N 2.59 0.26 0.33 0.55 0.00 -1.94 -3.41 103.07 101.45 1tk5 h GLY 65 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1tk5 h GLY 65 CO 0.00 0.56 -0.05 -0.84 0.00 0.00 0.00 176.54 176.22 1tk5 h THR 66 N 0.07 1.11 -0.77 4.70 2.02 -1.93 -3.37 112.91 114.73 1tk5 h THR 66 Ca -0.11 -1.32 0.17 0.00 0.77 0.00 0.00 66.41 65.92 1tk5 h THR 66 Cb 1.90 1.88 -0.14 0.00 -1.74 0.00 0.00 68.15 70.05 1tk5 h THR 66 CO 0.19 0.29 -0.08 0.00 0.37 0.00 0.00 175.52 176.30 1tk5 h ALA 67 N -0.07 0.69 -0.91 6.16 0.00 -1.80 -0.87 119.26 122.46 1tk5 h ALA 67 Ca -0.01 0.27 0.22 0.00 0.00 0.00 0.00 54.91 55.39 1tk5 h ALA 67 Cb 0.58 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 1tk5 h ALA 67 CO 0.02 -0.43 0.61 -1.35 0.00 0.00 0.00 179.25 178.11 1tk5 h PRO 68 N 0.05 0.29 0.00 0.00 0.11 -1.80 0.04 132.00 130.69 1tk5 h PRO 68 Ca 0.41 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.50 1tk5 h PRO 68 Cb 0.69 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1tk5 h PRO 68 CO -0.73 0.19 -0.01 0.87 -0.21 0.00 0.00 178.00 178.11 1tk5 h LYS 69 N 0.30 0.00 -0.32 1.05 1.57 -1.34 -2.42 116.57 115.41 1tk5 h LYS 69 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 1tk5 h LYS 69 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1tk5 h LYS 69 CO -0.14 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.40 1tk5 n TYR 70 N -3.13 0.48 -3.55 -1.35 4.01 -0.01 -5.00 117.16 108.61 1tk5 n TYR 70 Ca -0.01 -0.54 -0.20 0.00 -0.16 0.00 0.00 57.90 56.99 1tk5 n TYR 70 Cb 0.18 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.22 1tk5 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1tk5 n GLY 71 N 0.36 -0.39 3.74 2.72 0.00 -0.91 -4.92 105.19 105.78 1tk5 n GLY 71 Ca 0.12 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1tk5 n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tk5 s ILE 72 N -3.41 2.08 0.00 -0.61 -1.09 -1.23 -4.87 121.20 112.06 1tk5 s ILE 72 Ca 0.16 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.64 1tk5 s ILE 72 Cb -0.07 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1tk5 s ILE 72 CO 0.75 0.01 0.04 -1.14 -1.23 0.00 0.00 174.94 173.37 1tk5 n ARG 73 N 2.93 4.69 -3.47 2.79 0.00 -1.26 -4.99 116.66 117.35 1tk5 n ARG 73 Ca 0.11 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.85 57.83 1tk5 n ARG 73 Cb 0.37 -0.43 -0.02 0.00 0.00 0.00 0.00 32.46 32.38 1tk5 n ARG 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1tk5 s GLY 74 N -0.68 -0.53 0.05 5.14 0.00 -1.26 -5.18 107.32 104.87 1tk5 s GLY 74 Ca 0.00 0.75 0.03 0.00 0.00 0.00 0.00 44.72 45.50 1tk5 s GLY 74 CO 0.00 0.25 -0.09 -0.26 0.00 0.00 0.00 173.10 173.00 1tk5 s ILE 75 N -3.41 0.68 0.23 0.90 -4.36 -1.26 -3.96 121.20 110.01 1tk5 s ILE 75 Ca 0.03 -1.20 -0.30 0.00 -0.26 0.00 0.00 60.65 58.93 1tk5 s ILE 75 Cb -0.01 -0.80 -0.09 0.00 1.25 0.00 0.00 42.46 42.82 1tk5 s ILE 75 CO -0.11 -0.39 1.06 -2.16 0.24 0.00 0.00 174.94 173.59 1tk5 s PRO 76 N -1.80 4.67 -0.19 0.37 0.04 -1.26 -4.68 135.00 132.15 1tk5 s PRO 76 Ca -0.06 1.69 -0.05 0.00 0.04 0.00 0.00 61.00 62.62 1tk5 s PRO 76 Cb -0.09 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1tk5 s PRO 76 CO 0.00 0.23 -0.01 0.99 0.04 0.00 0.00 177.00 178.26 1tk5 s THR 77 N -0.77 3.96 -0.28 1.26 2.01 -0.99 -0.69 115.64 120.13 1tk5 s THR 77 Ca 0.46 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 1tk5 s THR 77 Cb -0.29 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1tk5 s THR 77 CO 0.36 0.44 0.07 -0.76 -0.69 0.00 0.00 174.62 174.05 1tk5 s LEU 78 N 0.85 3.74 -0.18 4.42 1.43 0.13 -1.04 118.68 128.01 1tk5 s LEU 78 Ca 0.00 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1tk5 s LEU 78 Cb -0.14 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1tk5 s LEU 78 CO 0.02 -0.16 -0.07 -0.76 0.23 0.00 0.00 176.35 175.61 1tk5 s LEU 79 N 1.52 2.86 -0.37 1.79 1.02 0.18 -1.73 118.68 123.94 1tk5 s LEU 79 Ca 0.03 -0.35 -0.16 0.00 0.02 0.00 0.00 54.13 53.68 1tk5 s LEU 79 Cb -0.17 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.35 1tk5 s LEU 79 CO 0.02 0.06 0.37 -0.22 0.02 0.00 0.00 176.35 176.61 1tk5 s LEU 80 N 1.00 4.63 -0.02 1.79 0.20 -0.32 -0.11 118.68 125.85 1tk5 s LEU 80 Ca -0.00 -0.43 -0.06 0.00 0.69 0.00 0.00 54.13 54.33 1tk5 s LEU 80 Cb -0.15 -2.33 -0.04 0.00 -0.43 0.00 0.00 46.19 43.24 1tk5 s LEU 80 CO -0.00 -0.42 0.23 -0.36 -0.29 0.00 0.00 176.35 175.51 1tk5 s PHE 81 N 2.01 3.58 -0.19 5.38 0.40 0.11 0.45 117.98 129.72 1tk5 s PHE 81 Ca 0.11 0.53 -0.04 0.00 -0.60 0.00 0.00 56.93 56.93 1tk5 s PHE 81 Cb -0.17 -1.95 0.09 0.00 0.51 0.00 0.00 43.02 41.50 1tk5 s PHE 81 CO 0.12 0.65 0.21 0.21 0.70 0.00 0.00 175.22 177.11 1tk5 s LYS 82 N -1.62 0.17 -1.28 0.44 2.47 0.67 -1.56 119.74 119.03 1tk5 s LYS 82 Ca 0.25 0.25 -0.04 0.00 -1.56 0.00 0.00 55.97 54.87 1tk5 s LYS 82 Cb -0.13 -1.09 0.01 0.00 -1.46 0.00 0.00 37.83 35.16 1tk5 s LYS 82 CO 0.14 -0.61 1.05 0.09 0.16 0.00 0.00 175.35 176.19 1tk5 n ASN 83 N 5.32 -3.76 -0.00 1.43 4.13 -1.26 -2.80 115.26 118.32 1tk5 n ASN 83 Ca -0.05 -0.61 -0.00 0.00 1.68 0.00 0.00 54.58 55.60 1tk5 n ASN 83 Cb 0.50 -4.98 -0.00 0.00 -1.54 0.00 0.00 39.78 33.75 1tk5 n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tk5 n GLY 84 N -1.52 0.48 3.03 7.41 0.00 -1.10 -5.01 105.19 108.48 1tk5 n GLY 84 Ca -0.16 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1tk5 n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tk5 s GLU 85 N -0.21 0.42 -0.17 1.61 2.02 -1.12 -4.85 118.70 116.39 1tk5 s GLU 85 Ca 0.00 -0.68 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 1tk5 s GLU 85 Cb 0.00 0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.36 1tk5 s GLU 85 CO 0.00 -0.08 1.53 0.08 0.02 0.00 0.00 175.26 176.81 1tk5 s VAL 86 N -1.93 3.82 -0.20 2.63 1.01 -1.26 -0.24 120.40 124.24 1tk5 s VAL 86 Ca -0.11 0.96 -0.20 0.00 0.00 0.00 0.00 61.98 62.63 1tk5 s VAL 86 Cb -0.06 -3.74 -0.20 0.00 0.00 0.00 0.00 36.38 32.38 1tk5 s VAL 86 CO -0.02 -0.22 0.23 0.00 0.00 0.00 0.00 175.10 175.09 1tk5 h ALA 87 N 9.79 0.29 -2.31 5.51 0.00 -0.34 -3.47 119.26 128.73 1tk5 h ALA 87 Ca -0.33 -1.24 -0.11 0.00 0.00 0.00 0.00 54.91 53.23 1tk5 h ALA 87 Cb 1.14 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 19.53 1tk5 h ALA 87 CO 0.99 0.78 -0.62 0.00 0.00 0.00 0.00 179.25 180.40 1tk5 s ALA 88 N -2.39 0.35 -0.11 0.00 0.00 -1.17 -5.02 121.76 113.43 1tk5 s ALA 88 Ca -0.28 -1.08 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 1tk5 s ALA 88 Cb 0.06 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.52 1tk5 s ALA 88 CO 0.61 -0.39 0.29 -0.08 0.00 0.00 0.00 175.76 176.18 1tk5 s THR 89 N -3.85 -0.01 -0.05 0.00 -1.32 -1.26 -1.17 115.64 107.99 1tk5 s THR 89 Ca 0.06 0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 60.54 1tk5 s THR 89 Cb 0.07 -0.41 0.02 0.00 -1.51 0.00 0.00 72.50 70.67 1tk5 s THR 89 CO -0.10 0.01 0.12 -0.75 -2.21 0.00 0.00 174.62 171.69 1tk5 s LYS 90 N 0.47 0.11 -0.12 7.08 2.47 -0.71 -5.03 119.74 124.01 1tk5 s LYS 90 Ca -0.03 0.23 -0.00 0.00 -1.56 0.00 0.00 55.97 54.61 1tk5 s LYS 90 Cb -0.04 -0.04 -0.02 0.00 -1.46 0.00 0.00 37.83 36.27 1tk5 s LYS 90 CO -0.02 -0.07 -0.11 0.08 0.16 0.00 0.00 175.35 175.38 1tk5 s VAL 91 N 0.48 3.25 0.00 4.02 1.01 -1.26 -0.69 120.40 127.21 1tk5 s VAL 91 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1tk5 s VAL 91 Cb -0.05 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1tk5 s VAL 91 CO -0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1tk5 n GLY 92 N 3.33 3.39 3.09 4.51 0.00 0.14 -4.93 105.19 114.71 1tk5 n GLY 92 Ca -0.18 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1tk5 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk5 n ALA 93 N -1.33 4.69 -1.06 4.61 0.00 -1.26 -4.72 120.51 121.44 1tk5 n ALA 93 Ca 0.00 -3.86 -0.33 0.00 0.00 0.00 0.00 53.44 49.25 1tk5 n ALA 93 Cb 0.00 -3.57 0.13 0.00 0.00 0.00 0.00 19.45 16.01 1tk5 n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1tk5 s LEU 94 N 3.08 3.11 0.58 0.00 1.43 -1.26 -4.89 118.68 120.71 1tk5 s LEU 94 Ca 0.50 2.34 -0.03 0.00 -1.03 0.00 0.00 54.13 55.92 1tk5 s LEU 94 Cb 0.10 -4.59 0.03 0.00 0.03 0.00 0.00 46.19 41.76 1tk5 s LEU 94 CO -0.02 -2.72 0.84 -0.94 0.23 0.00 0.00 176.35 173.75 1tk5 s SER 95 N -2.22 5.35 0.17 2.29 1.04 -1.26 -4.80 113.70 114.26 1tk5 s SER 95 Ca 0.72 0.34 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 1tk5 s SER 95 Cb -0.28 -1.26 0.06 0.00 0.10 0.00 0.00 66.02 64.64 1tk5 s SER 95 CO 0.51 -1.15 1.59 0.50 0.98 0.00 0.00 173.24 175.68 1tk5 h LYS 96 N -0.09 -0.24 -0.18 4.02 1.63 -1.95 -0.07 116.57 119.69 1tk5 h LYS 96 Ca -0.44 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1tk5 h LYS 96 Cb 1.28 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.96 1tk5 h LYS 96 CO 0.57 -0.16 0.11 0.78 -3.45 0.00 0.00 179.45 177.31 1tk5 h GLY 97 N -0.25 0.25 0.75 5.01 0.00 -1.99 -1.74 103.07 105.09 1tk5 h GLY 97 Ca 0.18 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1tk5 h GLY 97 CO -0.57 0.08 0.46 1.46 0.00 0.00 0.00 176.54 177.98 1tk5 h GLN 98 N 0.23 0.84 -0.16 4.80 4.20 -1.77 -1.35 115.11 121.90 1tk5 h GLN 98 Ca 0.07 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1tk5 h GLN 98 Cb -0.02 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1tk5 h GLN 98 CO -0.02 0.56 0.07 1.25 -0.67 0.00 0.00 178.83 180.01 1tk5 h LEU 99 N 0.86 0.21 -0.38 1.46 6.46 -0.81 -1.60 115.31 121.52 1tk5 h LEU 99 Ca 0.33 -0.14 0.08 0.00 -0.12 0.00 0.00 57.88 58.03 1tk5 h LEU 99 Cb 0.14 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.92 1tk5 h LEU 99 CO -0.16 0.29 -0.26 0.50 -0.62 0.00 0.00 178.44 178.20 1tk5 h LYS 100 N 0.12 -0.19 -0.97 1.25 3.64 -0.66 0.39 116.57 120.15 1tk5 h LYS 100 Ca 0.05 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1tk5 h LYS 100 Cb 0.14 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 1tk5 h LYS 100 CO -0.01 -0.13 0.64 0.93 -2.27 0.00 0.00 179.45 178.61 1tk5 h GLU 101 N -0.20 1.19 -0.03 1.90 5.08 -1.09 0.25 114.58 121.68 1tk5 h GLU 101 Ca 0.18 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1tk5 h GLU 101 Cb 0.48 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1tk5 h GLU 101 CO -0.49 0.79 0.02 0.35 -1.00 0.00 0.00 179.01 178.68 1tk5 h PHE 102 N 1.23 0.04 0.13 4.33 3.57 -0.08 -0.46 116.94 125.69 1tk5 h PHE 102 Ca 0.39 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 1tk5 h PHE 102 Cb 0.01 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1tk5 h PHE 102 CO -0.01 0.05 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.99 1tk5 h LEU 103 N 0.02 -0.14 -0.13 0.59 3.38 -0.62 -2.34 115.31 116.07 1tk5 h LEU 103 Ca 0.01 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1tk5 h LEU 103 Cb 0.02 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1tk5 h LEU 103 CO -0.00 0.06 -0.20 0.44 0.09 0.00 0.00 178.44 178.82 1tk5 h ASP 104 N -0.34 -0.62 0.35 -0.43 3.45 -0.90 0.55 116.42 118.48 1tk5 h ASP 104 Ca -0.02 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1tk5 h ASP 104 Cb 0.28 0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1tk5 h ASP 104 CO 0.03 -0.25 0.00 0.00 -1.57 0.00 0.00 179.24 177.45 1tk5 h ALA 105 N 0.75 1.00 0.00 3.45 0.00 -1.07 -2.95 119.26 120.44 1tk5 h ALA 105 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1tk5 h ALA 105 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1tk5 h ALA 105 CO -0.27 0.00 -0.59 0.09 0.00 0.00 0.00 179.25 178.48 1tk5 n ASN 106 N -2.50 1.04 -0.21 0.00 3.02 -0.55 -5.08 115.26 110.99 1tk5 n ASN 106 Ca -0.00 -0.51 0.15 0.00 -0.03 0.00 0.00 54.58 54.18 1tk5 n ASN 106 Cb 0.13 1.08 0.77 0.00 -0.61 0.00 0.00 39.78 41.15 1tk5 n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82