#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 1.85 -4.22 0.03 -0.04 -1.26 -4.94 135.00 126.41 1tl4 n PRO 2 Ca 0.00 0.66 -0.17 0.00 -0.04 0.00 0.00 63.50 63.95 1tl4 n PRO 2 Cb 0.00 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.06 1tl4 n PRO 2 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1tl4 s LYS 3 N -0.32 0.98 -0.11 0.54 -2.85 0.12 -3.65 119.74 114.45 1tl4 s LYS 3 Ca 0.70 -1.23 -0.00 0.00 -1.00 0.00 0.00 55.97 54.43 1tl4 s LYS 3 Cb -0.70 -0.78 0.02 0.00 -2.06 0.00 0.00 37.83 34.31 1tl4 s LYS 3 CO 0.49 0.14 -0.08 -1.01 0.10 0.00 0.00 175.35 174.99 1tl4 s HIS 4 N -2.31 1.48 0.12 1.78 3.76 0.55 -1.34 115.29 119.33 1tl4 s HIS 4 Ca 0.09 -0.72 -0.30 0.00 -0.15 0.00 0.00 55.06 53.98 1tl4 s HIS 4 Cb -0.04 -1.22 -0.06 0.00 1.11 0.00 0.00 32.58 32.38 1tl4 s HIS 4 CO 0.02 -0.49 1.01 -2.00 -0.85 0.00 0.00 174.74 172.43 1tl4 s GLU 5 N 1.61 4.65 -0.07 1.40 2.12 -1.24 -0.66 118.70 126.51 1tl4 s GLU 5 Ca 0.03 1.54 0.04 0.00 0.36 0.00 0.00 54.97 56.95 1tl4 s GLU 5 Cb -0.13 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 1tl4 s GLU 5 CO -0.07 0.13 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.52 1tl4 s PHE 6 N 0.05 2.57 -0.24 5.30 0.40 0.38 -0.45 117.98 125.99 1tl4 s PHE 6 Ca 0.49 -0.54 -0.09 0.00 -0.60 0.00 0.00 56.93 56.19 1tl4 s PHE 6 Cb -0.25 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1tl4 s PHE 6 CO 0.31 -0.10 0.11 0.45 0.70 0.00 0.00 175.22 176.70 1tl4 s SER 7 N -0.25 5.62 -0.05 1.36 0.15 0.03 -0.54 113.70 120.00 1tl4 s SER 7 Ca -0.00 -0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.58 1tl4 s SER 7 Cb -0.13 -2.01 0.04 0.00 -1.71 0.00 0.00 66.02 62.21 1tl4 s SER 7 CO 0.03 0.02 0.11 -0.69 1.20 0.00 0.00 173.24 173.91 1tl4 s VAL 8 N 1.31 -0.06 -0.08 4.45 1.01 0.06 -0.32 120.40 126.77 1tl4 s VAL 8 Ca 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1tl4 s VAL 8 Cb -0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1tl4 s VAL 8 CO 0.05 0.08 1.09 0.47 0.00 0.00 0.00 175.10 176.80 1tl4 n ASP 9 N 4.25 1.01 -4.09 3.32 9.92 -1.26 -3.54 116.55 126.15 1tl4 n ASP 9 Ca -0.26 -1.78 -0.43 0.00 -0.53 0.00 0.00 54.79 51.79 1tl4 n ASP 9 Cb 0.51 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1tl4 n ASP 9 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1tl4 n MET 10 N 3.45 3.49 0.13 -1.24 2.81 -1.26 -4.73 117.12 119.77 1tl4 n MET 10 Ca 0.09 -3.59 0.12 0.00 -1.81 0.00 0.00 57.70 52.50 1tl4 n MET 10 Cb 0.12 -3.00 0.08 0.00 -0.71 0.00 0.00 33.22 29.71 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 4.12 0.00 -3.81 2.03 2.02 -1.87 -3.41 112.91 111.99 1tl4 h THR 11 Ca 0.38 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 1tl4 h THR 11 Cb 0.72 1.57 -0.13 0.00 -1.74 0.00 0.00 68.15 68.56 1tl4 h THR 11 CO 1.50 0.00 -0.34 0.00 0.37 0.00 0.00 175.52 177.05 1tl4 n GLY 13 N -0.12 -1.74 0.33 0.00 0.00 -1.26 -0.54 105.19 101.86 1tl4 n GLY 13 Ca -0.13 1.06 0.25 0.00 0.00 0.00 0.00 46.02 47.21 1tl4 n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tl4 h GLY 14 N 0.00 2.09 0.87 -0.02 0.00 -1.98 0.29 103.07 104.32 1tl4 h GLY 14 Ca 0.44 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1tl4 h GLY 14 CO -1.00 -0.57 -0.17 0.00 0.00 0.00 0.00 176.54 174.80 1tl4 h ALA 16 N 0.70 0.50 -0.31 0.00 0.00 -0.59 0.14 119.26 119.70 1tl4 h ALA 16 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1tl4 h ALA 16 Cb 0.70 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1tl4 h ALA 16 CO 0.05 0.05 -0.07 0.93 0.00 0.00 0.00 179.25 180.20 1tl4 h GLU 17 N 0.50 0.01 -0.44 0.00 5.08 -0.83 0.15 114.58 119.04 1tl4 h GLU 17 Ca 0.14 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1tl4 h GLU 17 Cb 0.09 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1tl4 h GLU 17 CO -0.02 0.00 0.29 0.00 -1.00 0.00 0.00 179.01 178.28 1tl4 h ALA 18 N 1.31 0.55 -0.16 3.43 0.00 -0.24 1.00 119.26 125.15 1tl4 h ALA 18 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tl4 h ALA 18 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1tl4 h ALA 18 CO -0.32 0.01 0.10 0.28 0.00 0.00 0.00 179.25 179.31 1tl4 h VAL 19 N 0.59 1.06 -0.34 0.00 2.07 -0.40 -2.77 116.25 116.46 1tl4 h VAL 19 Ca 0.16 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1tl4 h VAL 19 Cb -0.07 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1tl4 h VAL 19 CO -0.03 0.06 0.10 -1.28 0.02 0.00 0.00 177.57 176.43 1tl4 h SER 20 N 0.19 0.08 -0.96 0.57 0.87 -0.29 0.16 113.55 114.17 1tl4 h SER 20 Ca 0.06 0.04 0.19 0.00 -1.23 0.00 0.00 61.79 60.85 1tl4 h SER 20 Cb 0.01 0.04 -0.18 0.00 -0.44 0.00 0.00 62.40 61.83 1tl4 h SER 20 CO -0.01 0.08 -0.25 -0.09 -0.53 0.00 0.00 176.83 176.03 1tl4 h ARG 21 N 0.23 -0.00 0.24 2.24 2.43 -0.69 0.53 114.38 119.36 1tl4 h ARG 21 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1tl4 h ARG 21 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1tl4 h ARG 21 CO -0.18 -0.00 -0.11 0.28 -1.51 0.00 0.00 179.97 178.44 1tl4 h VAL 22 N -0.00 0.52 0.00 0.20 2.07 -0.50 -1.88 116.25 116.66 1tl4 h VAL 22 Ca 0.46 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1tl4 h VAL 22 Cb 0.70 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1tl4 h VAL 22 CO -0.99 0.13 -0.14 -0.07 0.02 0.00 0.00 177.57 176.52 1tl4 h LEU 23 N -0.96 0.00 -0.23 2.57 3.38 -0.81 -2.23 115.31 117.02 1tl4 h LEU 23 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1tl4 h LEU 23 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1tl4 h LEU 23 CO 0.05 0.14 -0.27 -1.13 0.09 0.00 0.00 178.44 177.33 1tl4 h ASN 24 N 0.00 0.64 -0.30 -0.43 -0.00 0.10 0.98 115.58 116.58 1tl4 h ASN 24 Ca -0.00 -0.49 0.05 0.00 -0.00 0.00 0.00 56.30 55.86 1tl4 h ASN 24 Cb 0.51 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1tl4 h ASN 24 CO 0.02 1.00 0.20 0.11 -0.00 0.00 0.00 177.43 178.77 1tl4 h LYS 25 N 0.30 0.18 0.75 6.67 6.56 -0.72 0.12 116.57 130.42 1tl4 h LYS 25 Ca 0.03 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.57 1tl4 h LYS 25 Cb 0.84 -0.04 0.01 0.00 -0.57 0.00 0.00 32.23 32.47 1tl4 h LYS 25 CO 0.07 0.12 -0.36 1.25 -2.06 0.00 0.00 179.45 178.47 1tl4 h LEU 26 N 0.19 -0.85 0.00 2.94 7.12 -1.39 -3.47 115.31 119.84 1tl4 h LEU 26 Ca 0.13 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.17 1tl4 h LEU 26 Cb 0.29 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1tl4 h LEU 26 CO -0.02 -0.53 0.00 0.61 -0.13 0.00 0.00 178.44 178.37 1tl4 n GLY 27 N -1.00 2.03 2.62 3.75 0.00 0.41 -4.81 105.19 108.19 1tl4 n GLY 27 Ca -0.12 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 3.13 3.19 -0.02 0.00 -1.26 -4.80 105.19 105.43 1tl4 n GLY 28 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 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 3.44 0.09 -0.41 1.61 -7.23 -1.26 -4.88 120.40 111.75 1tl4 s VAL 29 Ca 0.41 -0.71 0.03 0.00 -1.81 0.00 0.00 61.98 59.89 1tl4 s VAL 29 Cb 0.10 -0.74 0.12 0.00 0.56 0.00 0.00 36.38 36.42 1tl4 s VAL 29 CO -0.03 -0.39 0.16 -0.75 -0.31 0.00 0.00 175.10 173.78 1tl4 s LYS 30 N -2.00 1.44 -0.23 4.82 2.47 0.14 -5.03 119.74 121.35 1tl4 s LYS 30 Ca -0.09 -1.98 -0.09 0.00 -1.56 0.00 0.00 55.97 52.25 1tl4 s LYS 30 Cb -0.03 -2.83 -0.04 0.00 -1.46 0.00 0.00 37.83 33.47 1tl4 s LYS 30 CO -0.01 -1.05 0.11 1.52 0.16 0.00 0.00 175.35 176.09 1tl4 s TYR 31 N 0.57 3.23 0.09 4.03 1.13 -1.26 -0.28 117.35 124.86 1tl4 s TYR 31 Ca 0.14 0.02 0.07 0.00 -1.41 0.00 0.00 57.07 55.88 1tl4 s TYR 31 Cb -0.22 -2.22 -0.04 0.00 -1.10 0.00 0.00 41.96 38.38 1tl4 s TYR 31 CO -0.07 -0.03 -0.10 0.34 -2.51 0.00 0.00 175.55 173.18 1tl4 s ASP 32 N 1.06 4.40 -0.26 -0.18 -1.08 0.12 -4.92 116.67 115.81 1tl4 s ASP 32 Ca 0.06 -0.37 -0.02 0.00 -0.52 0.00 0.00 52.55 51.70 1tl4 s ASP 32 Cb -0.14 -0.85 0.08 0.00 -1.46 0.00 0.00 42.92 40.55 1tl4 s ASP 32 CO 0.04 0.19 0.08 -0.63 0.52 0.00 0.00 175.17 175.37 1tl4 s ILE 33 N -1.19 0.52 -0.30 4.11 1.01 -1.26 -0.31 121.20 123.78 1tl4 s ILE 33 Ca 0.21 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 1tl4 s ILE 33 Cb -0.11 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1tl4 s ILE 33 CO 0.13 -0.50 0.10 -0.62 0.00 0.00 0.00 174.94 174.05 1tl4 s ASP 34 N 1.82 5.25 -0.04 3.58 -1.08 0.09 -5.01 116.67 121.27 1tl4 s ASP 34 Ca 0.05 -0.69 -0.08 0.00 -0.52 0.00 0.00 52.55 51.32 1tl4 s ASP 34 Cb -0.17 -1.91 -0.04 0.00 -1.46 0.00 0.00 42.92 39.34 1tl4 s ASP 34 CO -0.21 -0.20 0.37 -0.07 0.52 0.00 0.00 175.17 175.58 1tl4 h LEU 35 N 8.27 -0.23 -1.93 -1.34 3.38 -1.83 0.35 115.31 121.97 1tl4 h LEU 35 Ca -0.31 0.01 0.13 0.00 0.09 0.00 0.00 57.88 57.79 1tl4 h LEU 35 Cb 1.13 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1tl4 h LEU 35 CO 0.61 0.12 0.34 1.55 0.09 0.00 0.00 178.44 181.15 1tl4 h PRO 36 N -0.84 0.07 -0.16 1.13 0.13 -1.95 0.78 132.00 131.16 1tl4 h PRO 36 Ca -0.03 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1tl4 h PRO 36 Cb 0.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1tl4 h PRO 36 CO 0.05 0.05 0.00 0.09 -0.23 0.00 0.00 178.00 177.95 1tl4 n ASN 37 N -4.42 2.89 -3.47 1.44 3.02 -1.26 -5.01 115.26 108.45 1tl4 n ASN 37 Ca 0.08 -1.92 -0.22 0.00 -0.03 0.00 0.00 54.58 52.49 1tl4 n ASN 37 Cb 0.50 -0.09 0.05 0.00 -0.61 0.00 0.00 39.78 39.63 1tl4 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tl4 n LYS 38 N 1.19 -1.57 -3.71 3.52 4.01 0.27 -4.88 118.16 116.99 1tl4 n LYS 38 Ca 0.17 0.73 -0.13 0.00 -0.51 0.00 0.00 58.31 58.57 1tl4 n LYS 38 Cb 0.55 -4.77 -0.09 0.00 -0.51 0.00 0.00 35.03 30.21 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1tl4 s LYS 39 N -5.05 0.55 -0.27 1.97 2.20 0.02 -0.76 119.74 118.40 1tl4 s LYS 39 Ca 0.39 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.72 1tl4 s LYS 39 Cb -0.11 0.24 0.07 0.00 -1.51 0.00 0.00 37.83 36.53 1tl4 s LYS 39 CO 0.81 -0.08 -0.04 0.08 -0.36 0.00 0.00 175.35 175.76 1tl4 s VAL 40 N 0.40 1.90 -0.75 4.02 1.01 0.30 -0.73 120.40 126.55 1tl4 s VAL 40 Ca -0.01 -1.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.11 1tl4 s VAL 40 Cb -0.04 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1tl4 s VAL 40 CO -0.01 -0.21 1.07 0.00 0.00 0.00 0.00 175.10 175.95 1tl4 s ILE 42 N 4.13 4.20 -0.06 0.00 1.01 0.17 -0.70 121.20 129.94 1tl4 s ILE 42 Ca 0.28 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.84 1tl4 s ILE 42 Cb -0.12 -4.22 0.02 0.00 0.01 0.00 0.00 42.46 38.15 1tl4 s ILE 42 CO 0.06 0.34 -0.04 -0.70 0.00 0.00 0.00 174.94 174.59 1tl4 s GLU 43 N -0.35 0.91 -0.27 2.79 2.12 0.62 -0.33 118.70 124.19 1tl4 s GLU 43 Ca 0.47 -0.08 -0.23 0.00 0.36 0.00 0.00 54.97 55.48 1tl4 s GLU 43 Cb -0.26 -1.01 0.07 0.00 0.26 0.00 0.00 34.13 33.19 1tl4 s GLU 43 CO 0.32 -0.16 0.71 0.45 -0.54 0.00 0.00 175.26 176.04 1tl4 s SER 44 N 1.30 -0.79 -1.53 -1.70 0.15 -1.24 -0.69 113.70 109.20 1tl4 s SER 44 Ca -0.05 1.45 -0.12 0.00 0.70 0.00 0.00 55.95 57.94 1tl4 s SER 44 Cb -0.14 1.44 -0.02 0.00 -1.71 0.00 0.00 66.02 65.60 1tl4 s SER 44 CO -0.02 -0.25 2.57 1.21 1.20 0.00 0.00 173.24 177.95 1tl4 n GLU 45 N 3.06 3.31 -3.84 5.44 2.13 -1.26 -4.79 120.64 124.68 1tl4 n GLU 45 Ca -0.15 -2.45 -0.10 0.00 0.66 0.00 0.00 57.16 55.12 1tl4 n GLU 45 Cb 0.56 -3.04 -0.05 0.00 0.27 0.00 0.00 31.44 29.18 1tl4 n GLU 45 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1tl4 s HIS 46 N 2.56 0.11 0.14 4.31 2.46 -1.26 -5.13 115.29 118.49 1tl4 s HIS 46 Ca 0.58 -0.47 -0.35 0.00 0.47 0.00 0.00 55.06 55.29 1tl4 s HIS 46 Cb 0.16 0.18 -0.15 0.00 -0.13 0.00 0.00 32.58 32.64 1tl4 s HIS 46 CO -0.07 -0.81 1.52 0.45 -2.47 0.00 0.00 174.74 173.36 1tl4 n SER 47 N -0.27 2.76 0.05 9.88 2.88 -1.26 -4.88 113.62 122.77 1tl4 n SER 47 Ca -0.09 1.09 -0.13 0.00 -1.33 0.00 0.00 58.87 58.41 1tl4 n SER 47 Cb 0.63 -1.37 -0.14 0.00 -0.75 0.00 0.00 64.21 62.58 1tl4 n SER 47 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1tl4 h MET 48 N 5.60 0.15 -0.31 -1.46 2.86 -1.99 -3.12 114.93 116.65 1tl4 h MET 48 Ca -0.46 -0.25 0.07 0.00 -2.06 0.00 0.00 59.70 57.01 1tl4 h MET 48 Cb 1.27 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.95 1tl4 h MET 48 CO 0.86 1.00 -0.23 -0.44 1.06 0.00 0.00 176.91 179.16 1tl4 h ASP 49 N 0.04 -0.77 -0.75 1.22 5.19 -1.99 0.23 116.42 119.60 1tl4 h ASP 49 Ca -0.17 0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1tl4 h ASP 49 Cb 1.94 0.38 -0.06 0.00 0.18 0.00 0.00 39.33 41.77 1tl4 h ASP 49 CO 0.15 -0.26 0.42 0.74 -3.12 0.00 0.00 179.24 177.16 1tl4 h THR 50 N -0.21 0.94 0.11 0.35 2.02 -1.96 -0.70 112.91 113.46 1tl4 h THR 50 Ca 0.16 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1tl4 h THR 50 Cb 0.45 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1tl4 h THR 50 CO -0.43 0.14 -0.05 -0.07 0.37 0.00 0.00 175.52 175.47 1tl4 h LEU 51 N 0.74 -0.12 -0.28 2.58 3.38 -1.07 -0.60 115.31 119.95 1tl4 h LEU 51 Ca 0.35 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1tl4 h LEU 51 Cb 0.27 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1tl4 h LEU 51 CO -0.21 0.10 -0.37 0.25 0.09 0.00 0.00 178.44 178.30 1tl4 h LEU 52 N -0.34 -1.19 -0.87 1.67 5.85 -0.12 0.62 115.31 120.92 1tl4 h LEU 52 Ca -0.01 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1tl4 h LEU 52 Cb 0.29 0.52 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1tl4 h LEU 52 CO 0.02 -0.36 0.54 0.00 -0.34 0.00 0.00 178.44 178.30 1tl4 h ALA 53 N 0.47 1.21 -0.29 1.25 0.00 -1.09 -0.06 119.26 120.76 1tl4 h ALA 53 Ca 0.13 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1tl4 h ALA 53 Cb 0.57 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1tl4 h ALA 53 CO -0.47 0.26 -0.30 1.15 0.00 0.00 0.00 179.25 179.88 1tl4 h THR 54 N 0.96 1.30 -0.24 0.00 2.02 0.11 -3.27 112.91 113.78 1tl4 h THR 54 Ca 0.39 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.01 1tl4 h THR 54 Cb 0.22 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1tl4 h THR 54 CO -0.19 0.47 -0.25 -0.07 0.37 0.00 0.00 175.52 175.85 1tl4 h LEU 55 N 0.45 0.47 -1.93 2.58 3.38 0.96 0.59 115.31 121.81 1tl4 h LEU 55 Ca 0.04 -0.16 0.46 0.00 0.09 0.00 0.00 57.88 58.31 1tl4 h LEU 55 Cb 0.87 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1tl4 h LEU 55 CO 0.07 0.72 1.11 0.11 0.09 0.00 0.00 178.44 180.54 1tl4 h LYS 56 N 0.41 0.02 0.00 1.13 6.56 -1.08 0.00 116.57 123.61 1tl4 h LYS 56 Ca 0.06 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1tl4 h LYS 56 Cb 0.66 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 1tl4 h LYS 56 CO 0.05 0.01 0.00 1.63 -2.06 0.00 0.00 179.45 179.08 1tl4 n LYS 57 N -4.13 0.16 -0.21 3.15 5.02 0.20 0.12 118.16 122.47 1tl4 n LYS 57 Ca 0.35 0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.79 1tl4 n LYS 57 Cb 1.61 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 35.19 1tl4 n LYS 57 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1tl4 h THR 58 N 0.00 1.01 -3.52 -0.18 1.35 -1.16 -3.48 112.91 106.92 1tl4 h THR 58 Ca 0.00 -0.23 -0.25 0.00 -0.55 0.00 0.00 66.41 65.38 1tl4 h THR 58 Cb 0.13 0.27 0.07 0.00 -1.73 0.00 0.00 68.15 66.89 1tl4 h THR 58 CO 0.00 0.12 -0.40 0.61 -0.25 0.00 0.00 175.52 175.61 1tl4 n GLY 59 N -1.27 -0.00 0.00 5.82 0.00 0.12 -5.04 105.19 104.81 1tl4 n GLY 59 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.05 1.54 -0.74 1.61 5.02 -1.26 -5.03 118.16 116.26 1tl4 n LYS 60 Ca -0.03 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.20 1tl4 n LYS 60 Cb 0.55 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.48 1tl4 n LYS 60 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1tl4 n THR 61 N 0.00 2.43 -2.51 -0.18 -1.04 -1.26 -4.85 114.28 106.86 1tl4 n THR 61 Ca 0.00 -0.99 -0.40 0.00 -2.04 0.00 0.00 64.05 60.62 1tl4 n THR 61 Cb 0.00 -1.75 -0.03 0.00 -1.82 0.00 0.00 70.33 66.73 1tl4 n THR 61 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1tl4 s VAL 62 N 0.63 3.90 0.40 12.58 -7.23 -1.26 -4.60 120.40 124.83 1tl4 s VAL 62 Ca 0.35 -0.85 -0.23 0.00 -1.81 0.00 0.00 61.98 59.44 1tl4 s VAL 62 Cb 0.17 -4.98 -0.10 0.00 0.56 0.00 0.00 36.38 32.02 1tl4 s VAL 62 CO 0.00 -1.86 0.98 -0.94 -0.31 0.00 0.00 175.10 172.98 1tl4 s SER 63 N 5.17 6.92 -0.20 4.85 1.04 0.56 -4.89 113.70 127.16 1tl4 s SER 63 Ca 0.49 1.84 -0.06 0.00 0.48 0.00 0.00 55.95 58.70 1tl4 s SER 63 Cb -0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1tl4 s SER 63 CO -0.07 -0.37 0.02 -0.47 0.98 0.00 0.00 173.24 173.33 1tl4 s TYR 64 N -1.88 3.08 0.52 5.02 5.04 -1.26 -0.79 117.35 127.07 1tl4 s TYR 64 Ca 0.59 -0.33 0.06 0.00 -2.44 0.00 0.00 57.07 54.94 1tl4 s TYR 64 Cb -0.16 -2.09 0.02 0.00 0.35 0.00 0.00 41.96 40.08 1tl4 s TYR 64 CO 0.20 -0.16 0.38 -0.51 -1.34 0.00 0.00 175.55 174.12 1tl4 s LEU 65 N 0.92 2.81 1.34 6.97 1.02 0.40 -4.96 118.68 127.18 1tl4 s LEU 65 Ca 0.02 -1.18 -0.20 0.00 0.02 0.00 0.00 54.13 52.80 1tl4 s LEU 65 Cb -0.14 -1.31 0.34 0.00 0.02 0.00 0.00 46.19 45.10 1tl4 s LEU 65 CO 0.02 -1.01 0.97 -0.83 0.02 0.00 0.00 176.35 175.52 1tl4 s GLY 66 N -4.23 1.46 0.37 -3.19 0.00 -1.26 -4.37 107.32 96.09 1tl4 s GLY 66 Ca 0.36 -0.62 -0.25 0.00 0.00 0.00 0.00 44.72 44.21 1tl4 s GLY 66 CO 0.22 0.30 1.03 -2.27 0.00 0.00 0.00 173.10 172.38 1tl4 s LEU 67 N -7.62 4.24 0.00 0.66 2.96 -1.26 -3.71 118.68 113.95 1tl4 s LEU 67 Ca 0.69 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 56.61 1tl4 s LEU 67 Cb -0.17 -4.08 0.00 0.00 0.50 0.00 0.00 46.19 42.44 1tl4 s LEU 67 CO 0.60 -0.35 0.00 1.21 -1.32 0.00 0.00 176.35 176.49