#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl4 n PRO 2 N 0.00 4.13 -3.38 0.03 -0.04 -1.25 -4.62 135.00 129.87 1tl4 n PRO 2 Ca 0.00 -3.60 -0.38 0.00 -0.04 0.00 0.00 63.50 59.48 1tl4 n PRO 2 Cb 0.00 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.97 1tl4 n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1tl4 s LYS 3 N -2.66 4.27 -0.32 0.54 2.20 0.68 -3.27 119.74 121.19 1tl4 s LYS 3 Ca 0.50 0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 56.48 1tl4 s LYS 3 Cb 0.27 -3.41 0.13 0.00 -1.51 0.00 0.00 37.83 33.31 1tl4 s LYS 3 CO -0.18 0.24 0.23 -1.01 -0.36 0.00 0.00 175.35 174.27 1tl4 s HIS 4 N 0.38 0.07 0.20 4.03 3.76 0.51 -0.93 115.29 123.31 1tl4 s HIS 4 Ca 0.24 -0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 54.27 1tl4 s HIS 4 Cb -0.15 -0.69 -0.06 0.00 1.11 0.00 0.00 32.58 32.79 1tl4 s HIS 4 CO 0.09 -0.88 0.48 -1.21 -0.85 0.00 0.00 174.74 172.37 1tl4 s GLU 5 N 1.86 3.70 -0.01 1.40 8.01 -1.26 -0.74 118.70 131.66 1tl4 s GLU 5 Ca 0.12 0.08 -0.02 0.00 0.01 0.00 0.00 54.97 55.17 1tl4 s GLU 5 Cb -0.17 -2.73 0.00 0.00 -4.31 0.00 0.00 34.13 26.92 1tl4 s GLU 5 CO -0.23 0.37 0.04 -0.06 0.01 0.00 0.00 175.26 175.39 1tl4 s PHE 6 N -1.79 -0.00 -0.10 1.61 0.40 0.63 -0.29 117.98 118.44 1tl4 s PHE 6 Ca 0.44 0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.77 1tl4 s PHE 6 Cb -0.11 -0.02 -0.03 0.00 0.51 0.00 0.00 43.02 43.37 1tl4 s PHE 6 CO 0.24 -0.06 -0.02 0.45 0.70 0.00 0.00 175.22 176.52 1tl4 s SER 7 N -0.27 4.99 0.32 1.36 0.15 0.02 -0.60 113.70 119.67 1tl4 s SER 7 Ca -0.03 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.70 1tl4 s SER 7 Cb -0.02 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 62.79 1tl4 s SER 7 CO -0.00 0.32 0.18 -0.69 1.20 0.00 0.00 173.24 174.25 1tl4 s VAL 8 N -0.57 0.28 -0.34 4.45 1.01 -0.10 -0.36 120.40 124.76 1tl4 s VAL 8 Ca 0.09 -2.00 -0.15 0.00 0.00 0.00 0.00 61.98 59.92 1tl4 s VAL 8 Cb -0.12 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 1tl4 s VAL 8 CO 0.02 0.00 0.36 -0.62 0.00 0.00 0.00 175.10 174.86 1tl4 s ASP 9 N -3.40 6.17 -0.55 3.32 2.15 -1.26 -4.62 116.67 118.48 1tl4 s ASP 9 Ca 0.35 -0.26 0.07 0.00 0.43 0.00 0.00 52.55 53.14 1tl4 s ASP 9 Cb 0.04 -2.19 0.28 0.00 -0.30 0.00 0.00 42.92 40.75 1tl4 s ASP 9 CO 0.19 -0.34 0.75 0.23 -0.17 0.00 0.00 175.17 175.83 1tl4 n MET 10 N 5.37 2.19 0.21 4.34 2.81 -1.26 -4.82 117.12 125.96 1tl4 n MET 10 Ca -0.09 -4.30 0.14 0.00 -1.81 0.00 0.00 57.70 51.64 1tl4 n MET 10 Cb 0.49 -1.99 0.46 0.00 -0.71 0.00 0.00 33.22 31.47 1tl4 n MET 10 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1tl4 h THR 11 N 2.66 0.00 -4.04 2.03 2.02 -1.92 -3.42 112.91 110.24 1tl4 h THR 11 Ca 0.15 -0.58 -0.41 0.00 0.77 0.00 0.00 66.41 66.33 1tl4 h THR 11 Cb 0.70 1.53 -0.29 0.00 -1.74 0.00 0.00 68.15 68.35 1tl4 h THR 11 CO 0.72 0.00 -0.79 0.00 0.37 0.00 0.00 175.52 175.83 1tl4 h GLY 13 N 5.94 1.70 0.95 0.00 0.00 -2.00 -1.54 103.07 108.13 1tl4 h GLY 13 Ca -0.32 -0.26 0.13 0.00 0.00 0.00 0.00 47.33 46.89 1tl4 h GLY 13 CO 0.49 -0.21 0.40 -1.33 0.00 0.00 0.00 176.54 175.89 1tl4 h GLY 14 N 0.54 0.00 1.23 4.60 0.00 -1.97 0.19 103.07 107.66 1tl4 h GLY 14 Ca 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.92 1tl4 h GLY 14 CO -0.47 0.00 0.47 0.00 0.00 0.00 0.00 176.54 176.54 1tl4 h ALA 16 N 1.48 0.53 -0.04 0.00 0.00 -0.81 0.13 119.26 120.55 1tl4 h ALA 16 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1tl4 h ALA 16 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1tl4 h ALA 16 CO -0.05 0.01 -0.06 0.93 0.00 0.00 0.00 179.25 180.08 1tl4 h GLU 17 N 0.56 -0.07 -0.10 0.00 5.08 -1.38 0.33 114.58 119.00 1tl4 h GLU 17 Ca 0.15 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1tl4 h GLU 17 Cb -0.03 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1tl4 h GLU 17 CO -0.03 -0.05 -0.13 0.00 -1.00 0.00 0.00 179.01 177.80 1tl4 h ALA 18 N 0.96 -0.07 -0.33 3.43 0.00 -0.58 0.62 119.26 123.29 1tl4 h ALA 18 Ca 0.04 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1tl4 h ALA 18 Cb 0.13 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1tl4 h ALA 18 CO -0.09 -0.59 -0.15 0.28 0.00 0.00 0.00 179.25 178.69 1tl4 h VAL 19 N -0.17 0.52 -0.09 0.00 2.07 -0.53 0.38 116.25 118.43 1tl4 h VAL 19 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1tl4 h VAL 19 Cb 0.28 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1tl4 h VAL 19 CO -0.20 0.00 -0.11 -1.28 0.02 0.00 0.00 177.57 176.00 1tl4 h SER 20 N -0.10 -0.33 -0.61 0.57 0.87 -0.22 0.22 113.55 113.95 1tl4 h SER 20 Ca 0.17 0.06 0.12 0.00 -1.23 0.00 0.00 61.79 60.91 1tl4 h SER 20 Cb 0.36 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.38 1tl4 h SER 20 CO -0.40 -0.15 0.07 0.08 -0.53 0.00 0.00 176.83 175.91 1tl4 h ARG 21 N -0.14 0.18 0.03 2.24 0.11 -0.43 0.24 114.38 116.62 1tl4 h ARG 21 Ca 0.07 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 1tl4 h ARG 21 Cb 0.24 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.28 1tl4 h ARG 21 CO -0.18 0.12 -0.01 0.28 0.10 0.00 0.00 179.97 180.28 1tl4 h VAL 22 N 0.19 1.11 -0.33 0.08 2.07 0.20 -0.23 116.25 119.34 1tl4 h VAL 22 Ca 0.32 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 1tl4 h VAL 22 Cb 0.50 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1tl4 h VAL 22 CO -0.46 0.11 -0.03 -0.07 0.02 0.00 0.00 177.57 177.14 1tl4 h LEU 23 N -0.22 0.60 -0.74 2.57 3.38 -0.77 -2.69 115.31 117.44 1tl4 h LEU 23 Ca -0.00 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.74 1tl4 h LEU 23 Cb 0.20 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1tl4 h LEU 23 CO 0.01 0.78 0.36 -1.13 0.09 0.00 0.00 178.44 178.55 1tl4 h ASN 24 N 0.40 0.46 -0.16 -0.43 -0.00 -0.40 -1.47 115.58 113.97 1tl4 h ASN 24 Ca 0.09 0.07 -0.01 0.00 -0.00 0.00 0.00 56.30 56.45 1tl4 h ASN 24 Cb 0.49 -0.01 -0.01 0.00 -0.00 0.00 0.00 38.32 38.79 1tl4 h ASN 24 CO 0.02 0.25 0.08 0.11 -0.00 0.00 0.00 177.43 177.89 1tl4 h LYS 25 N 0.59 0.27 -0.01 6.67 6.56 -0.71 0.03 116.57 129.97 1tl4 h LYS 25 Ca 0.37 -0.03 0.02 0.00 -1.06 0.00 0.00 60.65 59.96 1tl4 h LYS 25 Cb 0.43 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 1tl4 h LYS 25 CO -0.29 0.23 -0.10 1.25 -2.06 0.00 0.00 179.45 178.48 1tl4 h LEU 26 N 0.28 -0.30 0.00 2.94 7.12 -1.06 -3.49 115.31 120.80 1tl4 h LEU 26 Ca 0.07 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.13 1tl4 h LEU 26 Cb 0.06 0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1tl4 h LEU 26 CO -0.01 -0.15 0.00 0.61 -0.13 0.00 0.00 178.44 178.77 1tl4 n GLY 27 N -1.23 1.33 1.70 3.75 0.00 -0.01 -4.97 105.19 105.77 1tl4 n GLY 27 Ca -0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1tl4 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tl4 n GLY 28 N 0.00 3.39 3.91 -0.02 0.00 -1.26 -4.74 105.19 106.47 1tl4 n GLY 28 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1tl4 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1tl4 s VAL 29 N -1.33 5.30 0.00 1.61 -7.23 -1.26 -4.87 120.40 112.63 1tl4 s VAL 29 Ca 0.18 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.12 1tl4 s VAL 29 Cb 0.14 -3.63 -0.00 0.00 0.56 0.00 0.00 36.38 33.45 1tl4 s VAL 29 CO 0.00 0.09 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.31 1tl4 s LYS 30 N -2.61 0.22 0.02 4.82 -0.14 -1.26 -4.98 119.74 115.81 1tl4 s LYS 30 Ca 0.37 -0.13 -0.24 0.00 -1.36 0.00 0.00 55.97 54.61 1tl4 s LYS 30 Cb -0.13 -0.18 0.06 0.00 -1.68 0.00 0.00 37.83 35.90 1tl4 s LYS 30 CO 0.27 0.05 0.55 1.52 -0.76 0.00 0.00 175.35 176.98 1tl4 s TYR 31 N -0.16 -0.48 0.15 3.18 1.13 -1.26 -1.20 117.35 118.71 1tl4 s TYR 31 Ca -0.00 0.64 0.02 0.00 -1.41 0.00 0.00 57.07 56.32 1tl4 s TYR 31 Cb -0.02 0.35 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 1tl4 s TYR 31 CO -0.00 -0.62 0.29 0.34 -2.51 0.00 0.00 175.55 173.05 1tl4 s ASP 32 N -1.72 6.35 -0.37 -0.18 2.15 0.07 -4.92 116.67 118.05 1tl4 s ASP 32 Ca -0.07 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.11 1tl4 s ASP 32 Cb -0.01 -1.92 0.13 0.00 -0.30 0.00 0.00 42.92 40.81 1tl4 s ASP 32 CO 0.02 0.05 0.19 -0.63 -0.17 0.00 0.00 175.17 174.62 1tl4 s ILE 33 N -1.75 0.80 -0.47 4.11 1.01 -1.26 -0.71 121.20 122.94 1tl4 s ILE 33 Ca 0.35 -1.90 -0.20 0.00 0.00 0.00 0.00 60.65 58.90 1tl4 s ILE 33 Cb -0.11 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.81 1tl4 s ILE 33 CO 0.29 -0.86 0.63 -0.62 0.00 0.00 0.00 174.94 174.38 1tl4 s ASP 34 N 0.99 6.27 -0.07 3.58 -1.08 0.09 -4.94 116.67 121.51 1tl4 s ASP 34 Ca 0.15 -0.60 -0.22 0.00 -0.52 0.00 0.00 52.55 51.37 1tl4 s ASP 34 Cb -0.22 -2.30 -0.18 0.00 -1.46 0.00 0.00 42.92 38.76 1tl4 s ASP 34 CO -0.08 -0.83 0.85 0.25 0.52 0.00 0.00 175.17 175.88 1tl4 h LEU 35 N 9.71 -0.10 -1.13 -1.34 6.46 -1.95 0.20 115.31 127.16 1tl4 h LEU 35 Ca -0.26 -0.49 0.17 0.00 -0.12 0.00 0.00 57.88 57.17 1tl4 h LEU 35 Cb 1.10 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 40.96 1tl4 h LEU 35 CO 0.92 0.54 0.61 1.55 -0.62 0.00 0.00 178.44 181.44 1tl4 h PRO 36 N -0.84 0.74 0.00 5.25 0.13 -1.92 -0.02 132.00 135.35 1tl4 h PRO 36 Ca -0.01 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1tl4 h PRO 36 Cb 0.59 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1tl4 h PRO 36 CO 0.02 0.49 -0.28 -0.91 -0.23 0.00 0.00 178.00 177.09 1tl4 h ASN 37 N 0.76 0.00 -5.46 1.44 2.35 -1.98 -3.49 115.58 109.21 1tl4 h ASN 37 Ca 0.52 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.21 1tl4 h ASN 37 Cb 0.80 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.20 1tl4 h ASN 37 CO -0.29 0.18 -0.17 0.29 -1.65 0.00 0.00 177.43 175.79 1tl4 n LYS 38 N -3.10 -1.45 -3.84 0.81 4.01 -0.02 -4.86 118.16 109.70 1tl4 n LYS 38 Ca 0.03 1.37 -0.12 0.00 -0.51 0.00 0.00 58.31 59.08 1tl4 n LYS 38 Cb 0.61 -5.60 -0.09 0.00 -0.51 0.00 0.00 35.03 29.44 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1tl4 s LYS 39 N -3.31 0.56 -0.12 1.97 1.02 0.52 -0.93 119.74 119.45 1tl4 s LYS 39 Ca 0.07 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1tl4 s LYS 39 Cb -0.01 0.24 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 1tl4 s LYS 39 CO 0.76 -0.14 -0.17 0.08 -0.92 0.00 0.00 175.35 174.96 1tl4 s VAL 40 N -1.53 1.63 -0.40 3.17 1.01 0.23 -0.74 120.40 123.77 1tl4 s VAL 40 Ca -0.13 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1tl4 s VAL 40 Cb -0.06 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.95 1tl4 s VAL 40 CO 0.02 0.47 0.17 0.00 0.00 0.00 0.00 175.10 175.75 1tl4 s ILE 42 N 0.99 5.40 -0.32 0.00 1.01 0.08 -0.75 121.20 127.62 1tl4 s ILE 42 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1tl4 s ILE 42 Cb -0.22 -3.53 0.14 0.00 0.01 0.00 0.00 42.46 38.87 1tl4 s ILE 42 CO -0.05 0.38 0.31 -0.70 0.00 0.00 0.00 174.94 174.88 1tl4 s GLU 43 N -1.74 0.43 0.08 2.79 2.12 -0.34 -0.36 118.70 121.68 1tl4 s GLU 43 Ca 0.26 -0.46 -0.23 0.00 0.36 0.00 0.00 54.97 54.90 1tl4 s GLU 43 Cb -0.13 -0.73 0.06 0.00 0.26 0.00 0.00 34.13 33.59 1tl4 s GLU 43 CO 0.16 -1.09 0.54 0.45 -0.54 0.00 0.00 175.26 174.77 1tl4 s SER 44 N 1.98 -0.47 0.49 -1.70 0.15 -1.20 -4.22 113.70 108.72 1tl4 s SER 44 Ca 0.12 0.12 0.31 0.00 0.70 0.00 0.00 55.95 57.20 1tl4 s SER 44 Cb -0.15 0.52 1.41 0.00 -1.71 0.00 0.00 66.02 66.09 1tl4 s SER 44 CO -0.22 -0.79 1.77 -0.33 1.20 0.00 0.00 173.24 174.87 1tl4 h GLU 45 N 2.55 0.13 -5.41 5.44 3.07 -1.90 -3.38 114.58 115.07 1tl4 h GLU 45 Ca -0.32 -0.01 -0.22 0.00 -0.50 0.00 0.00 59.36 58.31 1tl4 h GLU 45 Cb 1.24 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 1tl4 h GLU 45 CO 0.41 0.08 0.83 0.72 -1.40 0.00 0.00 179.01 179.65 1tl4 n HIS 46 N -4.36 1.18 -1.51 4.33 8.25 -1.26 -4.89 115.22 116.97 1tl4 n HIS 46 Ca 0.27 0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 57.36 1tl4 n HIS 46 Cb 1.17 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 29.78 1tl4 n HIS 46 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1tl4 n SER 47 N 16.63 -0.06 -0.42 0.41 2.88 -1.26 -4.49 113.62 127.32 1tl4 n SER 47 Ca 0.45 1.00 0.37 0.00 -1.33 0.00 0.00 58.87 59.36 1tl4 n SER 47 Cb 0.44 -1.18 0.64 0.00 -0.75 0.00 0.00 64.21 63.37 1tl4 n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tl4 h MET 48 N 1.19 0.02 -0.14 -1.46 -0.00 -1.90 0.14 114.93 112.78 1tl4 h MET 48 Ca -0.40 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.27 1tl4 h MET 48 Cb 1.38 -0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.97 1tl4 h MET 48 CO 0.55 0.01 -0.03 -0.44 -0.00 0.00 0.00 176.91 177.01 1tl4 h ASP 49 N 0.02 0.26 -0.59 -0.10 5.19 -1.99 0.49 116.42 119.71 1tl4 h ASP 49 Ca 0.86 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 56.90 1tl4 h ASP 49 Cb 2.60 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 42.01 1tl4 h ASP 49 CO -0.56 0.56 0.28 0.74 -3.12 0.00 0.00 179.24 177.13 1tl4 h THR 50 N -0.03 1.21 -0.62 0.35 2.02 -1.14 -1.63 112.91 113.07 1tl4 h THR 50 Ca 0.04 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.64 1tl4 h THR 50 Cb 0.44 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 1tl4 h THR 50 CO 0.01 0.25 0.38 -0.07 0.37 0.00 0.00 175.52 176.46 1tl4 h LEU 51 N 0.81 0.61 0.53 2.58 3.38 -0.79 -0.53 115.31 121.90 1tl4 h LEU 51 Ca 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1tl4 h LEU 51 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1tl4 h LEU 51 CO -0.02 0.42 -0.47 -0.07 0.09 0.00 0.00 178.44 178.38 1tl4 h LEU 52 N 0.74 -1.28 -0.72 1.67 4.07 0.59 0.34 115.31 120.72 1tl4 h LEU 52 Ca 0.26 0.10 0.15 0.00 0.08 0.00 0.00 57.88 58.46 1tl4 h LEU 52 Cb 0.05 0.41 -0.10 0.00 1.08 0.00 0.00 40.66 42.10 1tl4 h LEU 52 CO -0.11 -0.65 0.22 0.00 -1.08 0.00 0.00 178.44 176.82 1tl4 h ALA 53 N -0.81 0.97 0.71 1.53 0.00 -1.14 0.17 119.26 120.69 1tl4 h ALA 53 Ca -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1tl4 h ALA 53 Cb 0.86 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1tl4 h ALA 53 CO -0.03 -0.28 -0.45 1.15 0.00 0.00 0.00 179.25 179.64 1tl4 h THR 54 N 0.34 0.10 -0.04 0.00 2.02 -0.65 -3.24 112.91 111.45 1tl4 h THR 54 Ca 0.40 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.49 1tl4 h THR 54 Cb 0.64 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1tl4 h THR 54 CO -0.45 0.00 -0.40 -0.07 0.37 0.00 0.00 175.52 174.97 1tl4 h LEU 55 N -1.09 0.08 -2.09 2.58 3.38 0.80 -0.04 115.31 118.93 1tl4 h LEU 55 Ca -0.09 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.94 1tl4 h LEU 55 Cb 0.88 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1tl4 h LEU 55 CO 0.08 0.48 0.33 0.11 0.09 0.00 0.00 178.44 179.53 1tl4 h LYS 56 N 0.07 0.00 -0.29 1.13 6.56 -0.73 -1.15 116.57 122.16 1tl4 h LYS 56 Ca 0.00 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.68 1tl4 h LYS 56 Cb 0.74 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.39 1tl4 h LYS 56 CO 0.06 0.00 0.31 0.87 -2.06 0.00 0.00 179.45 178.63 1tl4 h LYS 57 N 0.00 0.00 0.00 3.15 1.57 -1.02 0.19 116.57 120.46 1tl4 h LYS 57 Ca 0.14 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1tl4 h LYS 57 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1tl4 h LYS 57 CO -0.00 0.00 -0.32 1.79 -0.57 0.00 0.00 179.45 180.35 1tl4 h THR 58 N 0.00 1.15 -4.44 -0.16 1.35 -1.39 -3.47 112.91 105.95 1tl4 h THR 58 Ca 0.14 -1.13 -0.35 0.00 -0.55 0.00 0.00 66.41 64.52 1tl4 h THR 58 Cb 0.76 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1tl4 h THR 58 CO -0.00 0.31 -0.49 0.61 -0.25 0.00 0.00 175.52 175.70 1tl4 n GLY 59 N -0.51 -0.50 1.98 5.82 0.00 0.67 -4.99 105.19 107.65 1tl4 n GLY 59 Ca -0.02 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1tl4 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tl4 n LYS 60 N -3.44 0.21 -0.55 1.61 4.76 -1.26 -4.95 118.16 114.54 1tl4 n LYS 60 Ca -0.11 -1.37 -0.06 0.00 -2.87 0.00 0.00 58.31 53.90 1tl4 n LYS 60 Cb 0.60 -0.35 -0.08 0.00 -1.84 0.00 0.00 35.03 33.35 1tl4 n LYS 60 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1tl4 n THR 61 N -2.16 1.72 -2.64 -0.18 -1.04 -1.26 -4.86 114.28 103.86 1tl4 n THR 61 Ca 0.08 -0.79 -0.42 0.00 -2.04 0.00 0.00 64.05 60.89 1tl4 n THR 61 Cb 0.30 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 67.08 1tl4 n THR 61 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tl4 s VAL 62 N 1.53 3.91 0.23 12.58 0.11 -1.26 -4.08 120.40 133.41 1tl4 s VAL 62 Ca 0.32 0.11 -0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1tl4 s VAL 62 Cb 0.15 -4.86 -0.04 0.00 -1.53 0.00 0.00 36.38 30.10 1tl4 s VAL 62 CO 0.00 -1.75 0.42 -0.55 -3.33 0.00 0.00 175.10 169.88 1tl4 s SER 63 N 3.79 6.37 -0.12 3.54 0.15 0.51 -4.96 113.70 122.99 1tl4 s SER 63 Ca 0.32 0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.33 1tl4 s SER 63 Cb -0.10 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 1tl4 s SER 63 CO 0.12 -0.08 0.04 -0.47 1.20 0.00 0.00 173.24 174.05 1tl4 s TYR 64 N -1.94 3.26 0.38 3.44 5.04 -1.26 -0.79 117.35 125.48 1tl4 s TYR 64 Ca 0.39 0.19 0.08 0.00 -2.44 0.00 0.00 57.07 55.28 1tl4 s TYR 64 Cb -0.11 -1.91 -0.02 0.00 0.35 0.00 0.00 41.96 40.28 1tl4 s TYR 64 CO 0.30 0.40 0.38 -0.51 -1.34 0.00 0.00 175.55 174.79 1tl4 s LEU 65 N -0.50 3.54 0.93 6.97 1.02 0.60 -4.90 118.68 126.35 1tl4 s LEU 65 Ca 0.10 -0.57 -0.11 0.00 0.02 0.00 0.00 54.13 53.56 1tl4 s LEU 65 Cb -0.12 -2.25 0.11 0.00 0.02 0.00 0.00 46.19 43.95 1tl4 s LEU 65 CO 0.02 -0.55 0.88 0.61 0.02 0.00 0.00 176.35 177.33 1tl4 n GLY 66 N -1.54 -0.98 3.70 -3.19 0.00 -1.26 -4.33 105.19 97.59 1tl4 n GLY 66 Ca 0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1tl4 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tl4 s LEU 67 N -4.63 4.32 0.00 0.99 0.20 -1.26 -4.16 118.68 114.13 1tl4 s LEU 67 Ca 0.63 1.67 0.00 0.00 0.69 0.00 0.00 54.13 57.12 1tl4 s LEU 67 Cb -0.22 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 41.97 1tl4 s LEU 67 CO 0.61 -0.39 0.35 1.21 -0.29 0.00 0.00 176.35 177.85