#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tk4 h LEU 2 N 0.00 0.97 -0.64 1.04 5.85 -1.04 0.04 115.31 121.53 1tk4 h LEU 2 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1tk4 h LEU 2 Cb 0.00 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1tk4 h LEU 2 CO 0.00 0.66 0.11 -0.07 -0.34 0.00 0.00 178.44 178.80 1tk4 h LEU 3 N 1.13 1.01 -0.54 2.25 3.38 -1.94 -0.61 115.31 119.98 1tk4 h LEU 3 Ca 0.36 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1tk4 h LEU 3 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1tk4 h LEU 3 CO -0.12 1.01 0.19 -0.33 0.09 0.00 0.00 178.44 179.28 1tk4 h GLU 4 N 0.97 0.83 -0.71 1.13 5.08 -1.81 -1.58 114.58 118.48 1tk4 h GLU 4 Ca 0.19 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1tk4 h GLU 4 Cb 0.43 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1tk4 h GLU 4 CO 0.01 0.74 0.45 0.35 -1.00 0.00 0.00 179.01 179.57 1tk4 h PHE 5 N 0.74 0.85 -0.77 4.33 3.57 -0.74 -0.70 116.94 124.23 1tk4 h PHE 5 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1tk4 h PHE 5 Cb 0.24 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1tk4 h PHE 5 CO 0.01 0.50 0.38 0.78 -2.23 0.00 0.00 178.31 177.76 1tk4 h GLY 6 N 0.90 1.16 1.05 2.40 0.00 -0.68 0.34 103.07 108.25 1tk4 h GLY 6 Ca 0.28 -0.55 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1tk4 h GLY 6 CO -0.10 0.53 -0.20 1.70 0.00 0.00 0.00 176.54 178.47 1tk4 h LYS 7 N 1.08 0.89 -0.70 4.80 3.64 -0.86 -1.52 116.57 123.91 1tk4 h LYS 7 Ca 0.27 -0.39 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1tk4 h LYS 7 Cb 0.08 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 1tk4 h LYS 7 CO -0.04 1.04 0.45 1.98 -2.27 0.00 0.00 179.45 180.61 1tk4 h MET 8 N 0.72 0.88 -0.30 1.90 4.05 -0.64 -0.27 114.93 121.27 1tk4 h MET 8 Ca 0.10 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1tk4 h MET 8 Cb 0.76 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1tk4 h MET 8 CO 0.06 0.58 0.19 0.82 0.23 0.00 0.00 176.91 178.79 1tk4 h ILE 9 N 0.91 1.09 -0.43 1.77 2.04 -0.79 -0.80 117.51 121.30 1tk4 h ILE 9 Ca 0.27 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1tk4 h ILE 9 Cb -0.05 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1tk4 h ILE 9 CO -0.08 0.09 0.19 0.25 0.00 0.00 0.00 178.15 178.59 1tk4 h LEU 10 N 0.39 0.59 -0.70 1.44 5.85 -0.96 -0.23 115.31 121.69 1tk4 h LEU 10 Ca 0.11 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1tk4 h LEU 10 Cb -0.02 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1tk4 h LEU 10 CO -0.02 0.58 0.40 -0.33 -0.34 0.00 0.00 178.44 178.73 1tk4 h GLU 11 N 0.56 0.72 -0.07 1.25 5.08 -0.90 0.50 114.58 121.72 1tk4 h GLU 11 Ca 0.15 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1tk4 h GLU 11 Cb 0.17 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1tk4 h GLU 11 CO -0.01 0.47 -0.48 1.49 -1.00 0.00 0.00 179.01 179.48 1tk4 h GLU 12 N 0.74 0.45 0.00 2.33 4.57 -0.84 -3.40 114.58 118.43 1tk4 h GLU 12 Ca 0.31 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1tk4 h GLU 12 Cb 0.18 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1tk4 h GLU 12 CO -0.18 1.03 -1.58 0.25 -1.18 0.00 0.00 179.01 177.35 1tk4 n THR 13 N -4.27 0.09 -0.51 0.32 -2.24 -0.13 -4.89 114.28 102.64 1tk4 n THR 13 Ca -0.09 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1tk4 n THR 13 Cb 0.59 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1tk4 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tk4 n GLY 14 N 1.87 1.85 3.86 3.38 0.00 0.16 -5.03 105.19 111.27 1tk4 n GLY 14 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1tk4 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tk4 s LYS 16 N -0.05 3.69 0.15 1.61 1.02 -1.26 -5.02 119.74 119.88 1tk4 s LYS 16 Ca 0.00 0.13 -0.31 0.00 0.02 0.00 0.00 55.97 55.82 1tk4 s LYS 16 Cb 0.00 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 34.07 1tk4 s LYS 16 CO 0.00 0.70 1.36 -0.51 -0.92 0.00 0.00 175.35 175.98 1tk4 s LEU 17 N -1.27 4.39 0.19 3.17 1.43 -1.26 -3.61 118.68 121.71 1tk4 s LEU 17 Ca 0.23 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 1tk4 s LEU 17 Cb -0.14 -3.60 0.16 0.00 0.03 0.00 0.00 46.19 42.64 1tk4 s LEU 17 CO 0.11 -0.61 1.82 0.00 0.23 0.00 0.00 176.35 177.90 1tk4 h ALA 18 N 6.23 0.77 -2.79 4.21 0.00 -1.93 -1.56 119.26 124.18 1tk4 h ALA 18 Ca -0.43 -0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.81 1tk4 h ALA 18 Cb 1.21 -0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 1tk4 h ALA 18 CO 0.83 0.05 -0.50 0.42 0.00 0.00 0.00 179.25 180.05 1tk4 s ILE 19 N -6.12 5.27 -1.93 0.00 1.01 -1.26 -0.47 121.20 117.70 1tk4 s ILE 19 Ca -0.13 -0.08 0.18 0.00 0.00 0.00 0.00 60.65 60.63 1tk4 s ILE 19 Cb 0.14 -3.63 0.35 0.00 0.01 0.00 0.00 42.46 39.33 1tk4 s ILE 19 CO 0.75 0.09 1.28 -0.81 0.00 0.00 0.00 174.94 176.25 1tk4 n PRO 20 N 5.09 2.25 0.14 2.79 -0.04 -1.23 -4.98 135.00 139.01 1tk4 n PRO 20 Ca -0.13 -2.06 -0.01 0.00 -0.04 0.00 0.00 63.50 61.26 1tk4 n PRO 20 Cb 0.51 -1.41 0.18 0.00 -0.04 0.00 0.00 33.50 32.73 1tk4 n PRO 20 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1tk4 h SER 21 N 3.55 0.00 0.00 3.54 0.02 -1.11 -3.35 113.55 116.20 1tk4 h SER 21 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1tk4 h SER 21 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1tk4 h SER 21 CO 0.00 0.61 0.00 -1.22 -1.14 0.00 0.00 176.83 175.08 1tk4 n TYR 22 N -3.81 0.00 0.44 3.45 4.01 0.37 -4.70 117.16 116.92 1tk4 n TYR 22 Ca -0.01 -0.21 0.12 0.00 -0.16 0.00 0.00 57.90 57.63 1tk4 n TYR 22 Cb 0.61 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.69 1tk4 n TYR 22 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1tk4 n SER 23 N -0.21 0.69 -1.58 7.72 3.41 -0.72 -3.88 113.62 119.05 1tk4 n SER 23 Ca 0.00 0.07 0.01 0.00 -0.26 0.00 0.00 58.87 58.69 1tk4 n SER 23 Cb 0.35 0.48 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 1tk4 n SER 23 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1tk4 n SER 24 N -2.21 0.58 -4.70 4.04 3.41 -1.16 -4.05 113.62 109.53 1tk4 n SER 24 Ca 0.02 -2.01 -0.37 0.00 -0.26 0.00 0.00 58.87 56.24 1tk4 n SER 24 Cb 0.47 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1tk4 n SER 24 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1tk4 s TYR 25 N -0.41 3.43 0.00 7.33 6.14 -1.00 -1.44 117.35 131.41 1tk4 s TYR 25 Ca 0.26 0.67 0.00 0.00 0.64 0.00 0.00 57.07 58.64 1tk4 s TYR 25 Cb 0.31 -2.47 0.00 0.00 0.42 0.00 0.00 41.96 40.22 1tk4 s TYR 25 CO -0.12 0.11 0.00 0.41 0.64 0.00 0.00 175.55 176.59 1tk4 n GLY 26 N 3.59 1.28 0.08 8.97 0.00 -0.07 -2.16 105.19 116.88 1tk4 n GLY 26 Ca -0.09 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.47 1tk4 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk4 n TYR 28 N -2.52 0.00 -2.92 0.00 4.02 -1.25 -3.83 117.16 110.66 1tk4 n TYR 28 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 1tk4 n TYR 28 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.82 1tk4 n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tk4 n GLY 30 N 4.94 3.23 2.70 0.00 0.00 -1.25 -2.37 105.19 112.43 1tk4 n GLY 30 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1tk4 n GLY 30 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1tk4 n TRP 31 N -1.17 -1.48 -2.06 1.61 7.02 -1.26 -4.92 117.44 115.18 1tk4 n TRP 31 Ca 0.00 -1.94 -0.35 0.00 -1.02 0.00 0.00 57.50 54.19 1tk4 n TRP 31 Cb 0.00 1.17 0.02 0.00 -2.42 0.00 0.00 31.31 30.08 1tk4 n TRP 31 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1tk4 s GLY 32 N -1.68 2.60 0.00 6.99 0.00 -1.20 -4.85 107.32 109.18 1tk4 s GLY 32 Ca 0.17 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1tk4 s GLY 32 CO -0.09 1.24 0.00 0.61 0.00 0.00 0.00 173.10 174.86 1tk4 n GLY 33 N 0.22 -0.23 3.17 0.20 0.00 -1.25 -5.00 105.19 102.30 1tk4 n GLY 33 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1tk4 n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tk4 s LYS 34 N -1.85 0.92 0.00 1.61 -2.85 -1.26 -4.82 119.74 111.50 1tk4 s LYS 34 Ca 0.00 -1.36 0.00 0.00 -1.00 0.00 0.00 55.97 53.61 1tk4 s LYS 34 Cb 0.00 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1tk4 s LYS 34 CO 0.00 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.59 1tk4 n GLY 35 N -0.09 2.02 3.67 0.59 0.00 0.59 -4.48 105.19 107.48 1tk4 n GLY 35 Ca -0.07 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1tk4 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tk4 s THR 36 N -2.48 4.87 0.34 2.61 2.01 -1.26 -4.68 115.64 117.05 1tk4 s THR 36 Ca 0.00 1.67 -0.27 0.00 0.31 0.00 0.00 61.69 63.40 1tk4 s THR 36 Cb 0.00 -4.15 -0.13 0.00 0.01 0.00 0.00 72.50 68.23 1tk4 s THR 36 CO 0.00 0.01 1.06 -2.65 -0.69 0.00 0.00 174.62 172.36 1tk4 n PRO 37 N 5.28 1.52 0.14 4.92 -0.02 -1.26 -4.86 135.00 140.72 1tk4 n PRO 37 Ca 0.05 0.53 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 1tk4 n PRO 37 Cb 0.49 -2.00 0.13 0.00 -0.02 0.00 0.00 33.50 32.09 1tk4 n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1tk4 h LYS 38 N 1.97 0.00 0.00 -0.52 1.79 -1.95 -3.47 116.57 114.39 1tk4 h LYS 38 Ca -0.42 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.09 1tk4 h LYS 38 Cb 1.33 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.97 1tk4 h LYS 38 CO 0.60 0.58 0.20 -0.40 -1.08 0.00 0.00 179.45 179.35 1tk4 n ASP 39 N -3.46 -0.67 -0.17 0.86 5.75 -1.26 -5.01 116.55 112.59 1tk4 n ASP 39 Ca 0.00 -1.37 -0.07 0.00 -0.01 0.00 0.00 54.79 53.34 1tk4 n ASP 39 Cb 0.68 1.09 0.08 0.00 -1.03 0.00 0.00 41.12 41.93 1tk4 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1tk4 h ALA 40 N 2.00 0.94 -0.43 2.12 0.00 -1.92 -0.74 119.26 121.23 1tk4 h ALA 40 Ca -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1tk4 h ALA 40 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1tk4 h ALA 40 CO 0.14 0.64 0.28 1.15 0.00 0.00 0.00 179.25 181.45 1tk4 h THR 41 N 0.88 1.09 -0.44 0.00 2.02 -1.92 -1.00 112.91 113.54 1tk4 h THR 41 Ca 0.16 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.11 1tk4 h THR 41 Cb 0.53 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1tk4 h THR 41 CO 0.03 0.10 0.12 -0.78 0.37 0.00 0.00 175.52 175.36 1tk4 h ASP 42 N 0.56 0.60 -0.06 4.18 3.58 -1.82 -1.62 116.42 121.84 1tk4 h ASP 42 Ca 0.16 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 1tk4 h ASP 42 Cb -0.04 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 1tk4 h ASP 42 CO -0.05 0.59 -0.11 0.03 -2.88 0.00 0.00 179.24 176.82 1tk4 h ARG 43 N 0.64 0.36 -0.64 0.28 3.08 -0.47 0.14 114.38 117.77 1tk4 h ARG 43 Ca 0.15 -0.09 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1tk4 h ARG 43 Cb 0.22 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1tk4 h ARG 43 CO -0.01 0.48 0.33 0.00 -1.07 0.00 0.00 179.97 179.71 1tk4 h PHE 46 N 0.81 -0.28 -0.77 0.00 3.57 -0.61 0.50 116.94 120.17 1tk4 h PHE 46 Ca 0.12 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1tk4 h PHE 46 Cb 0.72 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1tk4 h PHE 46 CO 0.04 -0.17 0.29 0.28 -2.23 0.00 0.00 178.31 176.53 1tk4 h VAL 47 N -0.18 1.26 -0.75 1.41 2.07 -1.13 -1.27 116.25 117.66 1tk4 h VAL 47 Ca 0.05 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 1tk4 h VAL 47 Cb 0.24 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1tk4 h VAL 47 CO -0.12 0.34 0.36 -0.74 0.02 0.00 0.00 177.57 177.42 1tk4 h HIS 48 N 1.13 1.08 -0.48 1.57 -0.00 -0.81 0.14 115.15 117.77 1tk4 h HIS 48 Ca 0.26 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 1tk4 h HIS 48 Cb 0.23 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 1tk4 h HIS 48 CO 0.02 0.79 0.27 -0.44 -0.00 0.00 0.00 177.93 178.57 1tk4 h ASP 49 N 1.05 0.60 -0.92 3.26 3.32 -0.57 -0.98 116.42 122.18 1tk4 h ASP 49 Ca 0.26 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1tk4 h ASP 49 Cb 0.12 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1tk4 h ASP 49 CO -0.03 0.51 0.60 0.00 -1.72 0.00 0.00 179.24 178.60 1tk4 h TYR 52 N 0.40 0.72 0.00 0.00 -1.99 -0.99 -2.53 116.97 112.59 1tk4 h TYR 52 Ca 0.11 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1tk4 h TYR 52 Cb 0.16 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.68 1tk4 h TYR 52 CO -0.01 0.64 -0.04 0.78 -0.00 0.00 0.00 178.16 179.53 1tk4 h GLY 53 N 0.91 0.00 1.39 3.88 0.00 -0.06 -0.56 103.07 108.63 1tk4 h GLY 53 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1tk4 h GLY 53 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 1tk4 n ASN 54 N -3.43 0.00 -2.98 0.19 5.15 -0.52 -4.10 115.26 109.57 1tk4 n ASN 54 Ca -0.02 -0.37 -0.27 0.00 -0.60 0.00 0.00 54.58 53.32 1tk4 n ASN 54 Cb 0.16 -0.19 -0.04 0.00 -0.53 0.00 0.00 39.78 39.18 1tk4 n ASN 54 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1tk4 n LEU 55 N -1.19 4.34 0.29 1.20 4.77 -0.22 -4.92 117.00 121.27 1tk4 n LEU 55 Ca 0.16 -5.65 0.17 0.00 -0.03 0.00 0.00 56.01 50.66 1tk4 n LEU 55 Cb 0.18 -0.53 0.91 0.00 -2.33 0.00 0.00 43.42 41.65 1tk4 n LEU 55 CO 0.20 2.34 1.07 1.55 -1.33 0.00 0.00 177.39 181.21 1tk4 h PRO 56 N 3.07 0.00 -0.45 3.23 0.13 -1.74 -1.29 132.00 134.94 1tk4 h PRO 56 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1tk4 h PRO 56 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1tk4 h PRO 56 CO 0.81 0.05 0.00 -0.25 -0.23 0.00 0.00 178.00 178.38 1tk4 n ASP 59 N -3.44 4.85 -4.73 1.44 10.43 -1.26 -4.94 116.55 118.90 1tk4 n ASP 59 Ca -0.02 -2.89 -0.24 0.00 2.57 0.00 0.00 54.79 54.20 1tk4 n ASP 59 Cb 0.17 -0.61 -0.07 0.00 1.84 0.00 0.00 41.12 42.45 1tk4 n ASP 59 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1tk4 n ASN 67 N -1.19 1.36 0.30 0.00 3.02 -1.26 -4.98 115.26 112.50 1tk4 n ASN 67 Ca -0.02 -2.88 0.20 0.00 -0.03 0.00 0.00 54.58 51.85 1tk4 n ASN 67 Cb 0.63 -0.65 0.92 0.00 -0.61 0.00 0.00 39.78 40.08 1tk4 n ASN 67 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1tk4 h PRO 68 N 4.75 0.00 -0.38 3.52 0.13 -1.92 -1.04 132.00 137.06 1tk4 h PRO 68 Ca 0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.18 1tk4 h PRO 68 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1tk4 h PRO 68 CO 0.57 0.00 -0.23 0.87 -0.23 0.00 0.00 178.00 178.99 1tk4 h LYS 69 N 0.00 0.77 0.00 0.86 1.57 -1.94 -3.26 116.57 114.57 1tk4 h LYS 69 Ca -0.00 -0.31 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 1tk4 h LYS 69 Cb 0.29 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1tk4 h LYS 69 CO 0.00 0.92 -1.52 -1.13 -0.57 0.00 0.00 179.45 177.16 1tk4 n SER 70 N -4.11 3.07 -4.70 0.86 3.41 -1.04 -0.86 113.62 110.25 1tk4 n SER 70 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 1tk4 n SER 70 Cb 0.44 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.15 1tk4 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tk4 s ASP 71 N -3.82 7.00 -0.04 4.04 -1.08 -0.42 -4.63 116.67 117.72 1tk4 s ASP 71 Ca -0.04 2.04 -0.13 0.00 -0.52 0.00 0.00 52.55 53.90 1tk4 s ASP 71 Cb 0.03 -2.57 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 1tk4 s ASP 71 CO 0.32 -0.56 0.35 -0.13 0.52 0.00 0.00 175.17 175.68 1tk4 s ARG 72 N 1.49 3.87 0.34 4.34 0.52 -1.26 -0.00 118.95 128.24 1tk4 s ARG 72 Ca 0.60 0.29 0.10 0.00 -0.52 0.00 0.00 55.73 56.20 1tk4 s ARG 72 Cb -0.30 -3.24 -0.06 0.00 0.52 0.00 0.00 34.95 31.87 1tk4 s ARG 72 CO 0.28 0.66 -0.10 1.52 0.02 0.00 0.00 175.30 177.68 1tk4 s TYR 73 N -0.91 2.39 -0.02 -0.53 -0.85 -1.26 -4.89 117.35 111.28 1tk4 s TYR 73 Ca 0.22 -0.49 0.02 0.00 -0.52 0.00 0.00 57.07 56.30 1tk4 s TYR 73 Cb -0.16 -1.36 -0.03 0.00 0.38 0.00 0.00 41.96 40.79 1tk4 s TYR 73 CO 0.11 0.59 -0.06 0.15 -1.52 0.00 0.00 175.55 174.81 1tk4 s LYS 74 N -3.61 2.63 0.11 -3.49 -0.14 -1.26 -4.94 119.74 109.05 1tk4 s LYS 74 Ca 0.32 -0.66 -0.08 0.00 -1.36 0.00 0.00 55.97 54.20 1tk4 s LYS 74 Cb 0.02 -2.54 -0.01 0.00 -1.68 0.00 0.00 37.83 33.62 1tk4 s LYS 74 CO 0.16 0.63 0.20 1.52 -0.76 0.00 0.00 175.35 177.10 1tk4 s TYR 75 N -0.94 0.29 0.32 3.18 -0.85 -1.26 -1.14 117.35 116.95 1tk4 s TYR 75 Ca 0.16 -0.70 0.03 0.00 -0.52 0.00 0.00 57.07 56.03 1tk4 s TYR 75 Cb -0.11 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 1tk4 s TYR 75 CO 0.06 -0.59 0.12 -1.59 -1.52 0.00 0.00 175.55 172.02 1tk4 s LYS 76 N -3.91 1.63 -0.13 -3.49 -2.85 -0.43 -4.92 119.74 105.64 1tk4 s LYS 76 Ca 0.10 -1.93 -0.01 0.00 -1.00 0.00 0.00 55.97 53.13 1tk4 s LYS 76 Cb 0.05 -0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 35.41 1tk4 s LYS 76 CO -0.06 -0.37 -0.09 1.03 0.10 0.00 0.00 175.35 175.96 1tk4 s ARG 77 N -3.86 3.45 -0.36 1.78 1.81 -1.26 -0.71 118.95 119.80 1tk4 s ARG 77 Ca 0.34 -0.61 0.03 0.00 -1.72 0.00 0.00 55.73 53.77 1tk4 s ARG 77 Cb 0.06 -2.74 0.10 0.00 -0.45 0.00 0.00 34.95 31.92 1tk4 s ARG 77 CO 0.16 0.26 0.09 0.08 -0.68 0.00 0.00 175.30 175.21 1tk4 s VAL 78 N 0.26 2.50 -0.93 3.52 1.01 0.24 -4.82 120.40 122.18 1tk4 s VAL 78 Ca -0.06 -2.33 -0.09 0.00 0.00 0.00 0.00 61.98 59.49 1tk4 s VAL 78 Cb -0.15 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1tk4 s VAL 78 CO 0.04 -0.63 0.62 0.59 0.00 0.00 0.00 175.10 175.73 1tk4 n ASN 79 N 4.27 -4.62 0.00 3.32 4.13 -1.26 -1.49 115.26 119.62 1tk4 n ASN 79 Ca 0.03 -1.07 0.00 0.00 1.68 0.00 0.00 54.58 55.22 1tk4 n ASN 79 Cb 0.42 -1.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.05 1tk4 n ASN 79 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1tk4 n GLY 80 N -1.77 2.01 3.75 7.41 0.00 -1.26 -5.01 105.19 110.31 1tk4 n GLY 80 Ca -0.27 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1tk4 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tk4 s ALA 81 N -0.41 3.39 -0.08 4.61 0.00 -0.55 -4.98 121.76 123.74 1tk4 s ALA 81 Ca 0.00 0.85 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 1tk4 s ALA 81 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1tk4 s ALA 81 CO 0.00 -0.18 0.93 0.42 0.00 0.00 0.00 175.76 176.93 1tk4 s ILE 82 N -0.60 4.86 -0.25 0.00 1.01 -1.26 -0.59 121.20 124.37 1tk4 s ILE 82 Ca 0.47 1.91 0.02 0.00 0.00 0.00 0.00 60.65 63.05 1tk4 s ILE 82 Cb -0.30 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 37.97 1tk4 s ILE 82 CO 0.37 0.09 -0.07 -0.69 0.00 0.00 0.00 174.94 174.64 1tk4 s VAL 83 N 1.55 1.78 0.13 2.92 1.01 0.11 -4.95 120.40 122.95 1tk4 s VAL 83 Ca 0.47 -1.40 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 1tk4 s VAL 83 Cb -0.19 -1.99 -0.08 0.00 0.00 0.00 0.00 36.38 34.11 1tk4 s VAL 83 CO 0.20 -0.09 1.44 0.00 0.00 0.00 0.00 175.10 176.66 1tk4 s GLU 85 N 1.16 3.52 -0.04 0.00 2.02 -0.30 -4.95 118.70 120.11 1tk4 s GLU 85 Ca 0.66 -0.34 -0.30 0.00 0.02 0.00 0.00 54.97 55.01 1tk4 s GLU 85 Cb -0.39 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 1tk4 s GLU 85 CO 0.30 0.44 1.36 0.21 0.02 0.00 0.00 175.26 177.59 1tk4 s LYS 86 N -3.15 4.28 0.00 1.61 2.20 -1.26 -4.56 119.74 118.86 1tk4 s LYS 86 Ca 0.38 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1tk4 s LYS 86 Cb -0.11 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1tk4 s LYS 86 CO 0.28 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1tk4 n GLY 88 N 3.63 5.34 3.75 5.54 0.00 -1.26 -4.97 105.19 117.22 1tk4 n GLY 88 Ca 0.13 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1tk4 n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tk4 s THR 89 N 2.86 2.72 0.25 2.61 -4.23 -1.26 -4.81 115.64 113.78 1tk4 s THR 89 Ca 0.00 0.24 -0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1tk4 s THR 89 Cb 0.00 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.19 1tk4 s THR 89 CO 0.00 -0.31 1.84 0.77 -0.54 0.00 0.00 174.62 176.38 1tk4 h SER 90 N -1.40 1.02 -0.42 3.99 4.64 -2.00 -0.88 113.55 118.50 1tk4 h SER 90 Ca -0.49 -0.12 0.01 0.00 -0.47 0.00 0.00 61.79 60.72 1tk4 h SER 90 Cb 1.28 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1tk4 h SER 90 CO 0.57 0.87 0.27 0.00 -0.87 0.00 0.00 176.83 177.67 1tk4 h GLU 92 N 0.55 1.06 -0.41 0.00 5.08 -1.74 0.07 114.58 119.19 1tk4 h GLU 92 Ca 0.16 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1tk4 h GLU 92 Cb -0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1tk4 h GLU 92 CO -0.05 0.74 0.23 -0.91 -1.00 0.00 0.00 179.01 178.02 1tk4 h ASN 93 N 1.07 0.51 -0.24 1.42 2.35 -0.96 -0.61 115.58 119.12 1tk4 h ASN 93 Ca 0.28 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 1tk4 h ASN 93 Cb -0.06 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 1tk4 h ASN 93 CO -0.05 0.45 -0.51 0.03 -1.65 0.00 0.00 177.43 175.69 1tk4 h ARG 94 N 0.53 0.83 -0.31 0.81 3.08 -1.00 -1.83 114.38 116.48 1tk4 h ARG 94 Ca 0.14 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1tk4 h ARG 94 Cb 0.05 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1tk4 h ARG 94 CO -0.02 1.13 0.18 0.82 -1.07 0.00 0.00 179.97 181.01 1tk4 h ILE 95 N 0.64 1.11 -0.68 2.04 2.04 -0.89 -1.99 117.51 119.79 1tk4 h ILE 95 Ca 0.02 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.66 1tk4 h ILE 95 Cb 1.10 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1tk4 h ILE 95 CO 0.11 0.11 0.39 0.00 0.00 0.00 0.00 178.15 178.77 1tk4 h GLU 97 N 0.74 0.79 -0.40 0.00 4.39 -1.07 0.87 114.58 119.90 1tk4 h GLU 97 Ca 0.30 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1tk4 h GLU 97 Cb 0.15 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1tk4 h GLU 97 CO -0.16 0.75 0.20 0.00 -1.16 0.00 0.00 179.01 178.64 1tk4 h ASP 99 N 0.51 0.49 -0.43 0.00 5.19 -0.75 -2.21 116.42 119.22 1tk4 h ASP 99 Ca 0.14 -0.40 0.08 0.00 -0.62 0.00 0.00 57.03 56.23 1tk4 h ASP 99 Cb 0.11 -0.13 -0.08 0.00 0.18 0.00 0.00 39.33 39.41 1tk4 h ASP 99 CO -0.02 0.78 -0.06 0.50 -3.12 0.00 0.00 179.24 177.32 1tk4 h LYS 100 N 0.19 0.04 -0.54 3.56 3.64 -0.86 -0.34 116.57 122.27 1tk4 h LYS 100 Ca 0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1tk4 h LYS 100 Cb 0.59 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.37 1tk4 h LYS 100 CO 0.03 0.03 0.33 0.00 -2.27 0.00 0.00 179.45 177.57 1tk4 h ALA 101 N 1.41 0.69 -0.60 5.00 0.00 -1.31 -1.40 119.26 123.05 1tk4 h ALA 101 Ca 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1tk4 h ALA 101 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1tk4 h ALA 101 CO -0.40 0.16 0.17 0.00 0.00 0.00 0.00 179.25 179.18 1tk4 h ALA 102 N 1.17 0.79 -0.51 0.00 0.00 -0.87 0.37 119.26 120.20 1tk4 h ALA 102 Ca 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1tk4 h ALA 102 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1tk4 h ALA 102 CO -0.04 0.47 0.23 0.00 0.00 0.00 0.00 179.25 179.92 1tk4 h ALA 103 N 1.05 0.66 -0.53 0.00 0.00 -0.80 0.10 119.26 119.74 1tk4 h ALA 103 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1tk4 h ALA 103 Cb 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1tk4 h ALA 103 CO -0.00 0.24 0.33 0.82 0.00 0.00 0.00 179.25 180.64 1tk4 h ILE 104 N 0.68 1.15 -0.64 0.00 2.04 -1.10 -1.77 117.51 117.87 1tk4 h ILE 104 Ca 0.17 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1tk4 h ILE 104 Cb 0.15 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1tk4 h ILE 104 CO -0.02 0.15 0.42 0.00 0.00 0.00 0.00 178.15 178.70 1tk4 h PHE 106 N 0.87 0.77 -0.78 0.00 0.04 -0.59 -1.98 116.94 115.27 1tk4 h PHE 106 Ca 0.23 0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.02 1tk4 h PHE 106 Cb -0.08 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.78 1tk4 h PHE 106 CO -0.03 0.51 0.52 -0.09 -0.60 0.00 0.00 178.31 178.62 1tk4 h ARG 107 N 0.80 1.02 0.00 1.51 9.65 -0.75 -1.72 114.38 124.88 1tk4 h ARG 107 Ca 0.21 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 59.03 1tk4 h ARG 107 Cb -0.04 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.31 1tk4 h ARG 107 CO -0.04 0.67 -0.00 0.37 2.80 0.00 0.00 179.97 183.77 1tk4 h GLN 108 N 1.05 0.00 -0.04 0.20 4.15 -0.48 -3.13 115.11 116.85 1tk4 h GLN 108 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1tk4 h GLN 108 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1tk4 h GLN 108 CO -0.07 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 176.92 1tk4 n ASN 109 N -3.09 2.34 0.15 -0.69 3.02 -0.79 -4.61 115.26 111.59 1tk4 n ASN 109 Ca -0.00 -2.54 0.09 0.00 -0.03 0.00 0.00 54.58 52.10 1tk4 n ASN 109 Cb 0.25 -0.24 0.59 0.00 -0.61 0.00 0.00 39.78 39.78 1tk4 n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1tk4 h LEU 110 N 0.26 0.12 -2.21 3.41 3.38 -1.27 -1.95 115.31 117.04 1tk4 h LEU 110 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tk4 h LEU 110 Cb 0.79 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1tk4 h LEU 110 CO 0.02 0.09 0.00 -0.55 0.09 0.00 0.00 178.44 178.08 1tk4 h ASN 111 N 0.14 0.00 0.00 -0.43 -0.00 -1.84 -2.74 115.58 110.71 1tk4 h ASN 111 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.38 1tk4 h ASN 111 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.47 1tk4 h ASN 111 CO -0.01 0.00 0.00 0.35 -0.00 0.00 0.00 177.43 177.77 1tk4 n THR 112 N -2.76 0.59 -1.66 6.14 -2.24 -0.76 -5.05 114.28 108.54 1tk4 n THR 112 Ca -0.02 -0.75 -0.46 0.00 -2.27 0.00 0.00 64.05 60.56 1tk4 n THR 112 Cb 0.09 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.02 1tk4 n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tk4 n TYR 113 N -0.30 2.07 -4.20 4.78 4.19 -1.04 -4.94 117.16 117.73 1tk4 n TYR 113 Ca 0.00 0.43 -0.25 0.00 3.31 0.00 0.00 57.90 61.39 1tk4 n TYR 113 Cb 0.19 -2.46 -0.17 0.00 0.49 0.00 0.00 39.34 37.40 1tk4 n TYR 113 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1tk4 s SER 114 N 0.43 1.85 0.61 2.98 0.15 -1.26 -5.02 113.70 113.43 1tk4 s SER 114 Ca 0.72 -0.27 0.38 0.00 0.70 0.00 0.00 55.95 57.48 1tk4 s SER 114 Cb -0.69 -0.77 2.00 0.00 -1.71 0.00 0.00 66.02 64.84 1tk4 s SER 114 CO 0.47 -0.05 2.23 0.11 1.20 0.00 0.00 173.24 177.20 1tk4 h LYS 115 N 7.58 0.00 0.00 5.44 1.57 -1.99 -2.14 116.57 127.03 1tk4 h LYS 115 Ca -0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1tk4 h LYS 115 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1tk4 h LYS 115 CO 0.44 0.02 -0.00 1.57 -0.57 0.00 0.00 179.45 180.90 1tk4 h LYS 116 N 0.00 0.00 -0.01 3.15 2.10 -2.01 -1.63 116.57 118.17 1tk4 h LYS 116 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tk4 h LYS 116 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1tk4 h LYS 116 CO 0.00 0.00 -0.12 0.66 -2.00 0.00 0.00 179.45 178.00 1tk4 n TYR 117 N -3.20 0.00 -2.16 0.07 4.01 -0.80 -4.81 117.16 110.27 1tk4 n TYR 117 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 1tk4 n TYR 117 Cb 0.10 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1tk4 n TYR 117 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1tk4 s MET 118 N -2.23 4.26 -1.46 -0.72 -1.94 -0.61 -0.89 119.30 115.70 1tk4 s MET 118 Ca 0.32 2.11 -0.12 0.00 -1.71 0.00 0.00 55.69 56.29 1tk4 s MET 118 Cb 0.20 -2.96 0.06 0.00 2.01 0.00 0.00 34.83 34.14 1tk4 s MET 118 CO 0.42 -0.23 1.06 1.28 -0.01 0.00 0.00 175.02 177.54 1tk4 n LEU 119 N 0.60 -2.89 -4.71 -0.03 4.77 -0.52 -4.91 117.00 109.31 1tk4 n LEU 119 Ca 0.01 -0.69 -0.42 0.00 -0.03 0.00 0.00 56.01 54.88 1tk4 n LEU 119 Cb 0.43 -2.74 -0.03 0.00 -2.33 0.00 0.00 43.42 38.75 1tk4 n LEU 119 CO 0.57 0.54 1.13 -0.47 -1.33 0.00 0.00 177.39 177.83 1tk4 s TYR 120 N -3.31 3.07 0.31 -1.77 5.04 -1.08 -4.94 117.35 114.67 1tk4 s TYR 120 Ca 0.62 0.81 -0.29 0.00 -2.44 0.00 0.00 57.07 55.77 1tk4 s TYR 120 Cb -0.30 -3.75 -0.10 0.00 0.35 0.00 0.00 41.96 38.16 1tk4 s TYR 120 CO 0.79 -2.74 1.23 -2.14 -1.34 0.00 0.00 175.55 171.36 1tk4 s PRO 121 N 1.45 4.46 0.34 4.97 0.02 -1.26 -4.87 135.00 140.11 1tk4 s PRO 121 Ca 0.66 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.81 1tk4 s PRO 121 Cb -0.38 -3.12 0.72 0.00 0.02 0.00 0.00 34.50 31.75 1tk4 s PRO 121 CO 0.30 -0.05 1.90 0.22 -0.33 0.00 0.00 177.00 179.04 1tk4 h ASP 122 N 3.64 0.73 0.71 2.53 1.82 -1.94 -2.61 116.42 121.29 1tk4 h ASP 122 Ca -0.48 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 1tk4 h ASP 122 Cb 1.22 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1tk4 h ASP 122 CO 0.67 0.41 0.00 2.19 -1.61 0.00 0.00 179.24 180.90 1tk4 h PHE 124 N 0.79 0.00 -0.12 0.28 -0.00 -2.03 -0.18 116.94 115.68 1tk4 h PHE 124 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.38 1tk4 h PHE 124 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.45 1tk4 h PHE 124 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.59 1tk4 n LEU 125 N -2.50 0.91 -3.99 2.10 4.77 -0.98 -4.59 117.00 112.71 1tk4 n LEU 125 Ca 0.01 -0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 55.28 1tk4 n LEU 125 Cb 0.23 -0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 1tk4 n LEU 125 CO 0.21 0.20 -0.28 0.00 -1.33 0.00 0.00 177.39 176.19 1tk4 s LYS 127 N 0.55 0.93 0.00 0.00 1.02 -1.26 -4.25 119.74 116.72 1tk4 s LYS 127 Ca 0.13 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.42 1tk4 s LYS 127 Cb -0.21 -0.92 0.00 0.00 -0.52 0.00 0.00 37.83 36.18 1tk4 s LYS 127 CO -0.06 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 1tk4 n GLY 128 N 2.04 1.60 3.78 -3.33 0.00 -1.26 -3.44 105.19 104.59 1tk4 n GLY 128 Ca -0.17 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1tk4 n GLY 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tk4 s GLU 129 N -4.79 4.56 -0.13 1.61 8.01 -1.26 -0.30 118.70 126.40 1tk4 s GLU 129 Ca 0.00 1.20 0.00 0.00 0.01 0.00 0.00 54.97 56.19 1tk4 s GLU 129 Cb 0.00 -3.04 0.02 0.00 -4.31 0.00 0.00 34.13 26.80 1tk4 s GLU 129 CO 0.00 0.44 -0.11 -1.17 0.01 0.00 0.00 175.26 174.43 1tk4 s LEU 130 N -1.61 1.43 0.30 1.80 0.20 -1.26 -4.93 118.68 114.60 1tk4 s LEU 130 Ca 0.43 -0.39 -0.28 0.00 0.69 0.00 0.00 54.13 54.58 1tk4 s LEU 130 Cb -0.21 -1.00 -0.09 0.00 -0.43 0.00 0.00 46.19 44.46 1tk4 s LEU 130 CO 0.25 -0.08 1.05 -0.54 -0.29 0.00 0.00 176.35 176.74 1tk4 s LYS 131 N 1.56 4.59 0.00 1.98 1.02 -1.26 -5.07 119.74 122.56 1tk4 s LYS 131 Ca 0.04 1.65 0.12 0.00 0.02 0.00 0.00 55.97 57.80 1tk4 s LYS 131 Cb -0.13 -3.06 0.72 0.00 -0.52 0.00 0.00 37.83 34.84 1tk4 s LYS 131 CO -0.09 0.21 1.15 0.00 -0.92 0.00 0.00 175.35 175.70