#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 2.70 -2.63 0.03 -0.04 -1.22 -4.47 135.00 129.37 1tl4 n PRO 2 Ca 0.00 -3.36 -0.42 0.00 -0.04 0.00 0.00 63.50 59.69 1tl4 n PRO 2 Cb 0.00 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.16 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 -3.88 3.48 -0.47 0.54 2.20 0.17 -4.00 119.74 117.78 1tl4 s LYS 3 Ca 0.58 -1.03 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 1tl4 s LYS 3 Cb 0.47 -4.99 0.06 0.00 -1.51 0.00 0.00 37.83 31.86 1tl4 s LYS 3 CO -0.21 -2.11 0.43 -1.01 -0.36 0.00 0.00 175.35 172.10 1tl4 s HIS 4 N 4.71 3.21 -0.03 4.03 3.76 0.71 -2.02 115.29 129.66 1tl4 s HIS 4 Ca 0.40 -0.81 -0.03 0.00 -0.15 0.00 0.00 55.06 54.48 1tl4 s HIS 4 Cb -0.03 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 1tl4 s HIS 4 CO -0.04 -0.82 0.13 -2.00 -0.85 0.00 0.00 174.74 171.16 1tl4 s GLU 5 N 1.83 3.28 -0.02 1.40 2.12 -1.26 -0.73 118.70 125.32 1tl4 s GLU 5 Ca 0.06 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.05 1tl4 s GLU 5 Cb -0.23 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.17 1tl4 s GLU 5 CO 0.08 0.69 -0.02 -0.06 -0.54 0.00 0.00 175.26 175.41 1tl4 s PHE 6 N -1.20 0.34 -0.01 5.30 0.40 0.38 -0.42 117.98 122.78 1tl4 s PHE 6 Ca 0.23 -0.04 -0.26 0.00 -0.60 0.00 0.00 56.93 56.26 1tl4 s PHE 6 Cb -0.12 -0.35 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 1tl4 s PHE 6 CO 0.13 -0.09 0.82 0.45 0.70 0.00 0.00 175.22 177.23 1tl4 s SER 7 N 0.62 7.18 -0.03 1.36 0.15 0.42 -0.23 113.70 123.17 1tl4 s SER 7 Ca -0.06 1.42 -0.03 0.00 0.70 0.00 0.00 55.95 57.98 1tl4 s SER 7 Cb -0.09 -2.48 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 1tl4 s SER 7 CO -0.01 -0.14 0.08 -0.69 1.20 0.00 0.00 173.24 173.68 1tl4 s VAL 8 N 0.67 -0.00 -0.87 4.45 1.01 -0.08 -0.43 120.40 125.15 1tl4 s VAL 8 Ca 0.43 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 1tl4 s VAL 8 Cb -0.20 -0.12 -0.16 0.00 0.00 0.00 0.00 36.38 35.90 1tl4 s VAL 8 CO 0.23 0.00 1.90 -0.67 0.00 0.00 0.00 175.10 176.57 1tl4 n ASP 9 N 3.09 2.50 -3.69 3.32 2.03 -1.26 -3.63 116.55 118.91 1tl4 n ASP 9 Ca -0.13 -2.66 -0.42 0.00 0.52 0.00 0.00 54.79 52.11 1tl4 n ASP 9 Cb 0.59 -1.32 -0.01 0.00 -0.72 0.00 0.00 41.12 39.66 1tl4 n ASP 9 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1tl4 n MET 10 N 7.66 2.81 0.05 -0.67 2.81 -1.26 -4.69 117.12 123.83 1tl4 n MET 10 Ca 0.47 -2.51 -0.10 0.00 -1.81 0.00 0.00 57.70 53.75 1tl4 n MET 10 Cb 0.43 -3.22 0.02 0.00 -0.71 0.00 0.00 33.22 29.73 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 3.96 1.39 -4.16 2.03 2.02 -1.87 -3.44 112.91 112.83 1tl4 h THR 11 Ca 0.58 -2.20 -0.15 0.00 0.77 0.00 0.00 66.41 65.41 1tl4 h THR 11 Cb 0.61 2.17 -0.13 0.00 -1.74 0.00 0.00 68.15 69.06 1tl4 h THR 11 CO 1.89 0.66 -0.42 0.00 0.37 0.00 0.00 175.52 178.02 1tl4 h GLY 13 N 2.52 0.71 1.16 0.00 0.00 -1.96 0.99 103.07 106.49 1tl4 h GLY 13 Ca -0.32 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1tl4 h GLY 13 CO 0.47 -0.12 0.50 -1.33 0.00 0.00 0.00 176.54 176.06 1tl4 h GLY 14 N 0.18 1.19 0.93 4.60 0.00 -1.98 0.16 103.07 108.14 1tl4 h GLY 14 Ca 0.64 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1tl4 h GLY 14 CO -0.19 0.48 0.12 0.00 0.00 0.00 0.00 176.54 176.94 1tl4 h ALA 16 N 0.98 0.32 -0.01 0.00 0.00 -1.31 0.49 119.26 119.72 1tl4 h ALA 16 Ca 0.09 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1tl4 h ALA 16 Cb 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1tl4 h ALA 16 CO -0.01 -0.31 -0.37 1.49 0.00 0.00 0.00 179.25 180.05 1tl4 h GLU 17 N 0.22 -0.50 -0.22 0.00 4.22 -0.52 0.19 114.58 117.97 1tl4 h GLU 17 Ca 0.12 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.64 1tl4 h GLU 17 Cb 0.09 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1tl4 h GLU 17 CO -0.13 -0.33 -0.04 0.00 -2.18 0.00 0.00 179.01 176.33 1tl4 h ALA 18 N 0.12 0.16 -0.26 2.92 0.00 -0.60 0.17 119.26 121.77 1tl4 h ALA 18 Ca 0.06 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1tl4 h ALA 18 Cb 0.61 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1tl4 h ALA 18 CO -0.30 -0.46 -0.06 0.28 0.00 0.00 0.00 179.25 178.71 1tl4 h VAL 19 N 0.02 0.74 -0.16 0.00 2.07 -0.65 -0.32 116.25 117.95 1tl4 h VAL 19 Ca 0.11 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 1tl4 h VAL 19 Cb 0.15 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1tl4 h VAL 19 CO -0.21 0.00 -0.04 -1.28 0.02 0.00 0.00 177.57 176.06 1tl4 h SER 20 N 0.01 -0.16 -0.41 0.57 0.87 0.19 0.14 113.55 114.75 1tl4 h SER 20 Ca 0.13 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.81 1tl4 h SER 20 Cb 0.19 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 1tl4 h SER 20 CO -0.26 -0.06 0.02 0.08 -0.53 0.00 0.00 176.83 176.08 1tl4 h ARG 21 N -0.01 0.13 0.17 2.24 0.11 -0.30 0.60 114.38 117.32 1tl4 h ARG 21 Ca 0.08 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 1tl4 h ARG 21 Cb 0.13 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1tl4 h ARG 21 CO -0.17 0.09 -0.08 0.28 0.10 0.00 0.00 179.97 180.19 1tl4 h VAL 22 N 0.14 0.89 -0.13 0.08 2.07 -0.42 -0.25 116.25 118.62 1tl4 h VAL 22 Ca 0.20 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1tl4 h VAL 22 Cb 0.28 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1tl4 h VAL 22 CO -0.32 0.05 -0.22 -0.07 0.02 0.00 0.00 177.57 177.04 1tl4 h LEU 23 N -0.33 0.21 -0.88 2.57 3.38 -0.77 -1.99 115.31 117.50 1tl4 h LEU 23 Ca -0.02 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1tl4 h LEU 23 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1tl4 h LEU 23 CO 0.04 0.44 0.07 -1.13 0.09 0.00 0.00 178.44 177.95 1tl4 h ASN 24 N 0.20 0.85 -0.64 -0.43 -0.00 0.68 0.18 115.58 116.41 1tl4 h ASN 24 Ca 0.03 -0.19 0.09 0.00 -0.00 0.00 0.00 56.30 56.23 1tl4 h ASN 24 Cb 0.51 -0.22 -0.04 0.00 -0.00 0.00 0.00 38.32 38.56 1tl4 h ASN 24 CO 0.03 0.87 0.42 0.50 -0.00 0.00 0.00 177.43 179.26 1tl4 h LYS 25 N 0.84 0.50 0.02 6.67 3.64 -0.30 0.13 116.57 128.07 1tl4 h LYS 25 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1tl4 h LYS 25 Cb 0.41 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1tl4 h LYS 25 CO 0.01 0.33 -0.01 1.25 -2.27 0.00 0.00 179.45 178.76 1tl4 h LEU 26 N 0.51 -0.02 0.00 5.20 7.12 -0.76 -3.47 115.31 123.89 1tl4 h LEU 26 Ca 0.29 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.21 1tl4 h LEU 26 Cb 0.46 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1tl4 h LEU 26 CO -0.09 0.08 0.00 0.61 -0.13 0.00 0.00 178.44 178.91 1tl4 n GLY 27 N -0.84 1.84 2.26 3.75 0.00 0.45 -4.73 105.19 107.92 1tl4 n GLY 27 Ca -0.07 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 2.78 3.04 -0.02 0.00 -1.26 -4.80 105.19 104.93 1tl4 n GLY 28 Ca 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 2.01 0.15 0.01 1.61 -7.23 -1.26 -4.75 120.40 110.94 1tl4 s VAL 29 Ca 0.49 -1.20 -0.04 0.00 -1.81 0.00 0.00 61.98 59.42 1tl4 s VAL 29 Cb 0.20 -0.76 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 1tl4 s VAL 29 CO -0.01 -0.66 0.05 -0.54 -0.31 0.00 0.00 175.10 173.63 1tl4 s LYS 30 N -2.40 0.40 -0.12 4.82 -0.14 -1.23 -5.04 119.74 116.04 1tl4 s LYS 30 Ca -0.07 -0.52 -0.26 0.00 -1.36 0.00 0.00 55.97 53.76 1tl4 s LYS 30 Cb -0.03 0.16 0.06 0.00 -1.68 0.00 0.00 37.83 36.34 1tl4 s LYS 30 CO -0.04 -0.08 0.62 1.52 -0.76 0.00 0.00 175.35 176.60 1tl4 s TYR 31 N -1.48 -0.61 0.20 3.18 1.13 -1.26 -1.34 117.35 117.17 1tl4 s TYR 31 Ca -0.15 1.24 -0.02 0.00 -1.41 0.00 0.00 57.07 56.74 1tl4 s TYR 31 Cb -0.09 0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 41.03 1tl4 s TYR 31 CO 0.00 -0.48 0.40 0.34 -2.51 0.00 0.00 175.55 173.31 1tl4 s ASP 32 N -0.62 6.40 -0.30 -0.18 2.15 -0.11 -4.93 116.67 119.08 1tl4 s ASP 32 Ca -0.07 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.36 1tl4 s ASP 32 Cb -0.02 -2.03 0.09 0.00 -0.30 0.00 0.00 42.92 40.66 1tl4 s ASP 32 CO 0.06 -0.04 0.07 -0.63 -0.17 0.00 0.00 175.17 174.46 1tl4 s ILE 33 N -1.86 1.17 -1.14 4.11 1.01 -1.26 -1.00 121.20 122.23 1tl4 s ILE 33 Ca 0.39 -1.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.31 1tl4 s ILE 33 Cb -0.11 -1.84 0.06 0.00 0.01 0.00 0.00 42.46 40.58 1tl4 s ILE 33 CO 0.29 -0.59 1.59 -1.81 0.00 0.00 0.00 174.94 174.41 1tl4 s ASP 34 N 1.48 6.61 -0.04 3.58 1.01 0.67 -4.79 116.67 125.18 1tl4 s ASP 34 Ca 0.08 -1.88 -0.25 0.00 0.71 0.00 0.00 52.55 51.22 1tl4 s ASP 34 Cb -0.18 -2.57 -0.19 0.00 1.01 0.00 0.00 42.92 40.98 1tl4 s ASP 34 CO -0.20 -1.40 1.09 -0.07 0.21 0.00 0.00 175.17 174.81 1tl4 h LEU 35 N 12.84 -0.08 -0.28 1.23 3.38 -1.90 0.98 115.31 131.49 1tl4 h LEU 35 Ca 0.31 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.85 1tl4 h LEU 35 Cb 0.95 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1tl4 h LEU 35 CO 1.44 0.48 -0.09 1.55 0.09 0.00 0.00 178.44 181.91 1tl4 h PRO 36 N -0.67 -0.03 -0.53 1.13 0.13 -1.86 -3.32 132.00 126.84 1tl4 h PRO 36 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1tl4 h PRO 36 Cb 0.56 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1tl4 h PRO 36 CO 0.02 -0.02 0.00 0.09 -0.23 0.00 0.00 178.00 177.85 1tl4 n ASN 37 N -5.27 5.43 -3.41 1.44 4.13 -1.18 -4.96 115.26 111.44 1tl4 n ASN 37 Ca -0.00 -2.94 -0.18 0.00 1.68 0.00 0.00 54.58 53.14 1tl4 n ASN 37 Cb 0.18 -0.66 0.07 0.00 -1.54 0.00 0.00 39.78 37.83 1tl4 n ASN 37 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1tl4 n LYS 38 N 0.45 -4.37 -3.64 3.52 4.01 0.17 -4.93 118.16 113.39 1tl4 n LYS 38 Ca 0.27 0.80 -0.10 0.00 -0.51 0.00 0.00 58.31 58.76 1tl4 n LYS 38 Cb 1.14 -5.65 -0.04 0.00 -0.51 0.00 0.00 35.03 29.97 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 -5.11 1.12 -0.02 1.97 1.02 -0.25 -0.90 119.74 117.56 1tl4 s LYS 39 Ca 0.21 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.48 1tl4 s LYS 39 Cb -0.03 0.48 0.03 0.00 -0.52 0.00 0.00 37.83 37.78 1tl4 s LYS 39 CO 0.75 -0.44 0.01 0.08 -0.92 0.00 0.00 175.35 174.83 1tl4 s VAL 40 N -3.81 0.07 -0.33 3.17 1.01 0.67 -0.24 120.40 120.94 1tl4 s VAL 40 Ca 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1tl4 s VAL 40 Cb 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 36.38 36.29 1tl4 s VAL 40 CO -0.11 0.11 0.06 0.00 0.00 0.00 0.00 175.10 175.17 1tl4 s ILE 42 N 1.18 5.26 -0.22 0.00 1.01 0.09 -0.93 121.20 127.58 1tl4 s ILE 42 Ca 0.00 0.13 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 1tl4 s ILE 42 Cb -0.21 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 38.97 1tl4 s ILE 42 CO -0.03 0.51 -0.03 -1.61 0.00 0.00 0.00 174.94 173.78 1tl4 s GLU 43 N -0.14 1.39 0.24 2.79 2.02 -0.45 -0.21 118.70 124.35 1tl4 s GLU 43 Ca 0.10 -0.83 -0.20 0.00 0.02 0.00 0.00 54.97 54.05 1tl4 s GLU 43 Cb -0.12 -2.45 0.03 0.00 0.10 0.00 0.00 34.13 31.69 1tl4 s GLU 43 CO 0.00 -0.60 0.65 0.45 0.02 0.00 0.00 175.26 175.79 1tl4 s SER 44 N 1.51 -0.31 -0.20 -0.19 0.15 -1.26 -3.53 113.70 109.88 1tl4 s SER 44 Ca -0.04 -0.49 -0.06 0.00 0.70 0.00 0.00 55.95 56.05 1tl4 s SER 44 Cb -0.18 0.67 -0.25 0.00 -1.71 0.00 0.00 66.02 64.56 1tl4 s SER 44 CO -0.07 -1.22 3.52 -0.62 1.20 0.00 0.00 173.24 176.05 1tl4 n GLU 45 N -0.42 2.19 -4.94 5.44 -0.58 -1.26 -4.71 120.64 116.35 1tl4 n GLU 45 Ca -0.07 -1.14 -0.31 0.00 -0.42 0.00 0.00 57.16 55.22 1tl4 n GLU 45 Cb 0.61 -2.09 -0.17 0.00 -0.57 0.00 0.00 31.44 29.22 1tl4 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1tl4 s HIS 46 N 1.17 2.39 0.59 -0.32 3.76 -1.26 -5.12 115.29 116.49 1tl4 s HIS 46 Ca 0.67 -1.04 -0.19 0.00 -0.15 0.00 0.00 55.06 54.34 1tl4 s HIS 46 Cb 0.30 -1.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.32 1tl4 s HIS 46 CO -0.01 -0.45 1.05 0.45 -0.85 0.00 0.00 174.74 174.93 1tl4 n SER 47 N 3.75 1.18 -0.31 1.40 2.88 -1.26 -4.76 113.62 116.50 1tl4 n SER 47 Ca -0.20 0.85 0.18 0.00 -1.33 0.00 0.00 58.87 58.36 1tl4 n SER 47 Cb 0.52 -1.43 0.43 0.00 -0.75 0.00 0.00 64.21 62.99 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 0.68 0.53 -0.08 -1.46 -0.00 -1.95 -1.22 114.93 111.43 1tl4 h MET 48 Ca -0.49 -0.03 0.04 0.00 -0.00 0.00 0.00 59.70 59.22 1tl4 h MET 48 Cb 1.35 -0.12 -0.05 0.00 -0.00 0.00 0.00 31.60 32.78 1tl4 h MET 48 CO 0.52 0.35 -0.25 -0.44 -0.00 0.00 0.00 176.91 177.10 1tl4 h ASP 49 N 0.55 -0.76 -0.71 -0.10 5.19 -1.98 0.35 116.42 118.95 1tl4 h ASP 49 Ca 0.55 0.11 0.03 0.00 -0.62 0.00 0.00 57.03 57.10 1tl4 h ASP 49 Cb 1.15 0.33 -0.04 0.00 0.18 0.00 0.00 39.33 40.94 1tl4 h ASP 49 CO -0.29 -0.31 0.45 0.74 -3.12 0.00 0.00 179.24 176.71 1tl4 h THR 50 N -0.34 1.10 0.47 0.35 2.02 -1.59 -0.51 112.91 114.41 1tl4 h THR 50 Ca 0.09 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1tl4 h THR 50 Cb 0.47 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1tl4 h THR 50 CO -0.28 0.16 -0.23 -0.07 0.37 0.00 0.00 175.52 175.47 1tl4 h LEU 51 N 0.88 -0.54 -0.62 2.58 3.38 -0.84 -3.12 115.31 117.03 1tl4 h LEU 51 Ca 0.29 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.33 1tl4 h LEU 51 Cb 0.01 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1tl4 h LEU 51 CO -0.11 -0.33 -0.36 0.18 0.09 0.00 0.00 178.44 177.91 1tl4 n LEU 52 N -4.04 -0.65 -0.31 1.67 4.32 0.12 0.03 117.00 118.13 1tl4 n LEU 52 Ca -0.08 1.22 0.15 0.00 -0.02 0.00 0.00 56.01 57.28 1tl4 n LEU 52 Cb 0.25 -0.20 0.40 0.00 -1.62 0.00 0.00 43.42 42.24 1tl4 n LEU 52 CO 0.19 -0.96 1.21 0.00 -1.22 0.00 0.00 177.39 176.62 1tl4 h ALA 53 N 0.19 1.89 0.12 -1.18 0.00 -1.17 0.26 119.26 119.36 1tl4 h ALA 53 Ca 0.10 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1tl4 h ALA 53 Cb 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.99 1tl4 h ALA 53 CO -0.58 -0.22 -0.76 1.15 0.00 0.00 0.00 179.25 178.85 1tl4 h THR 54 N 0.63 1.50 -0.27 0.00 2.02 -0.37 -3.35 112.91 113.07 1tl4 h THR 54 Ca 0.53 -2.49 -0.03 0.00 0.77 0.00 0.00 66.41 65.18 1tl4 h THR 54 Cb 0.98 3.17 -0.01 0.00 -1.74 0.00 0.00 68.15 70.55 1tl4 h THR 54 CO -0.28 0.69 0.04 -0.07 0.37 0.00 0.00 175.52 176.28 1tl4 h LEU 55 N -0.47 0.36 -1.99 2.58 3.38 0.53 0.79 115.31 120.49 1tl4 h LEU 55 Ca -0.14 -0.04 0.30 0.00 0.09 0.00 0.00 57.88 58.08 1tl4 h LEU 55 Cb 1.55 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 1tl4 h LEU 55 CO 0.11 0.39 0.74 0.11 0.09 0.00 0.00 178.44 179.88 1tl4 h LYS 56 N 0.39 0.01 0.00 1.13 6.56 -0.66 -1.57 116.57 122.43 1tl4 h LYS 56 Ca 0.09 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1tl4 h LYS 56 Cb 0.19 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 1tl4 h LYS 56 CO -0.00 0.00 0.00 0.87 -2.06 0.00 0.00 179.45 178.26 1tl4 h LYS 57 N 0.01 0.00 -0.07 3.15 1.57 -0.98 0.26 116.57 120.50 1tl4 h LYS 57 Ca 0.49 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.19 1tl4 h LYS 57 Cb 1.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 1tl4 h LYS 57 CO -0.01 0.00 -0.34 1.79 -0.57 0.00 0.00 179.45 180.32 1tl4 h THR 58 N 0.00 1.27 -3.08 -0.16 1.35 -1.46 -3.47 112.91 107.36 1tl4 h THR 58 Ca 0.00 -1.29 -0.39 0.00 -0.55 0.00 0.00 66.41 64.19 1tl4 h THR 58 Cb 0.17 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.16 1tl4 h THR 58 CO 0.00 0.38 -0.49 0.61 -0.25 0.00 0.00 175.52 175.77 1tl4 n GLY 59 N -0.43 -0.40 2.11 5.82 0.00 0.91 -5.00 105.19 108.20 1tl4 n GLY 59 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.95 -0.51 -0.60 1.61 4.76 -1.26 -4.91 118.16 114.29 1tl4 n LYS 60 Ca -0.23 -1.20 -0.07 0.00 -2.87 0.00 0.00 58.31 53.95 1tl4 n LYS 60 Cb 0.67 -0.67 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 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 -2.83 1.87 -2.49 -0.18 -1.04 -1.26 -4.84 114.28 103.50 1tl4 n THR 61 Ca 0.09 -0.88 -0.39 0.00 -2.04 0.00 0.00 64.05 60.83 1tl4 n THR 61 Cb 0.32 -1.74 -0.03 0.00 -1.82 0.00 0.00 70.33 67.05 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 1.50 3.88 -0.23 12.58 0.11 -1.26 -4.27 120.40 132.71 1tl4 s VAL 62 Ca 0.37 -0.85 -0.09 0.00 -2.93 0.00 0.00 61.98 58.48 1tl4 s VAL 62 Cb 0.17 -4.94 -0.04 0.00 -1.53 0.00 0.00 36.38 30.05 1tl4 s VAL 62 CO 0.00 -1.81 0.12 -0.44 -3.33 0.00 0.00 175.10 169.64 1tl4 s SER 63 N 5.30 5.74 0.31 3.54 0.01 0.42 -4.93 113.70 124.10 1tl4 s SER 63 Ca 0.50 0.01 -0.27 0.00 1.31 0.00 0.00 55.95 57.50 1tl4 s SER 63 Cb -0.00 -2.03 -0.10 0.00 0.21 0.00 0.00 66.02 64.10 1tl4 s SER 63 CO -0.06 0.05 0.97 -0.47 0.41 0.00 0.00 173.24 174.14 1tl4 s TYR 64 N 1.11 3.70 0.54 2.43 5.04 -1.26 -0.44 117.35 128.46 1tl4 s TYR 64 Ca 0.06 1.79 0.05 0.00 -2.44 0.00 0.00 57.07 56.53 1tl4 s TYR 64 Cb -0.14 -3.00 0.03 0.00 0.35 0.00 0.00 41.96 39.20 1tl4 s TYR 64 CO 0.04 0.09 0.35 -0.51 -1.34 0.00 0.00 175.55 174.18 1tl4 s LEU 65 N -1.86 2.66 0.73 6.97 1.02 0.44 -4.89 118.68 123.75 1tl4 s LEU 65 Ca 0.48 -1.29 -0.16 0.00 0.02 0.00 0.00 54.13 53.18 1tl4 s LEU 65 Cb -0.22 -1.14 0.02 0.00 0.02 0.00 0.00 46.19 44.87 1tl4 s LEU 65 CO 0.28 -1.06 1.04 0.61 0.02 0.00 0.00 176.35 177.23 1tl4 n GLY 66 N -1.69 -0.27 3.73 -3.19 0.00 -1.26 -4.51 105.19 98.00 1tl4 n GLY 66 Ca -0.04 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.67 4.50 0.00 0.99 0.20 -1.26 -4.18 118.68 115.27 1tl4 s LEU 67 Ca 0.74 1.86 0.00 0.00 0.69 0.00 0.00 54.13 57.42 1tl4 s LEU 67 Cb -0.34 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 41.83 1tl4 s LEU 67 CO 0.49 -0.09 0.23 -0.62 -0.29 0.00 0.00 176.35 176.08