#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 0.65 -4.23 3.17 -0.04 -1.12 -4.79 135.00 128.64 1tl4 n PRO 2 Ca 0.00 -0.23 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 1tl4 n PRO 2 Cb 0.00 -3.00 -0.10 0.00 -0.04 0.00 0.00 33.50 30.36 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 8.47 2.08 -0.28 0.54 -2.85 -1.25 -2.37 119.74 124.08 1tl4 s LYS 3 Ca 1.06 -1.05 -0.04 0.00 -1.00 0.00 0.00 55.97 54.94 1tl4 s LYS 3 Cb -0.39 -2.28 0.09 0.00 -2.06 0.00 0.00 37.83 33.19 1tl4 s LYS 3 CO 0.28 0.50 0.12 -1.01 0.10 0.00 0.00 175.35 175.34 1tl4 s HIS 4 N -1.21 0.50 -0.01 1.78 3.76 0.53 -2.82 115.29 117.82 1tl4 s HIS 4 Ca 0.21 -0.92 -0.23 0.00 -0.15 0.00 0.00 55.06 53.97 1tl4 s HIS 4 Cb -0.11 -0.98 -0.05 0.00 1.11 0.00 0.00 32.58 32.55 1tl4 s HIS 4 CO 0.13 -0.79 0.68 -2.00 -0.85 0.00 0.00 174.74 171.91 1tl4 s GLU 5 N 2.04 4.41 -0.06 1.40 2.12 -1.25 -1.01 118.70 126.35 1tl4 s GLU 5 Ca 0.08 0.89 0.05 0.00 0.36 0.00 0.00 54.97 56.35 1tl4 s GLU 5 Cb -0.16 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.84 1tl4 s GLU 5 CO -0.31 0.25 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.37 1tl4 s PHE 6 N 0.16 2.22 0.03 5.30 0.40 0.45 -0.45 117.98 126.08 1tl4 s PHE 6 Ca 0.35 -0.68 -0.26 0.00 -0.60 0.00 0.00 56.93 55.74 1tl4 s PHE 6 Cb -0.19 -1.47 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 1tl4 s PHE 6 CO 0.19 -0.22 0.82 0.45 0.70 0.00 0.00 175.22 177.17 1tl4 s SER 7 N -0.06 7.24 -0.23 1.36 0.15 0.15 -0.55 113.70 121.78 1tl4 s SER 7 Ca -0.05 1.49 -0.03 0.00 0.70 0.00 0.00 55.95 58.06 1tl4 s SER 7 Cb -0.13 -2.49 0.12 0.00 -1.71 0.00 0.00 66.02 61.80 1tl4 s SER 7 CO 0.04 -0.07 0.32 -0.69 1.20 0.00 0.00 173.24 174.04 1tl4 s VAL 8 N 0.29 -0.51 -1.13 4.45 1.01 0.06 -0.72 120.40 123.84 1tl4 s VAL 8 Ca 0.42 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1tl4 s VAL 8 Cb -0.21 -0.75 -0.17 0.00 0.00 0.00 0.00 36.38 35.25 1tl4 s VAL 8 CO 0.24 -0.14 2.03 -0.67 0.00 0.00 0.00 175.10 176.56 1tl4 n ASP 9 N 5.35 2.17 -4.48 3.32 2.03 -1.26 -3.88 116.55 119.81 1tl4 n ASP 9 Ca -0.04 -2.59 -0.43 0.00 0.52 0.00 0.00 54.79 52.25 1tl4 n ASP 9 Cb 0.50 -1.74 -0.03 0.00 -0.72 0.00 0.00 41.12 39.13 1tl4 n ASP 9 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1tl4 s MET 10 N 7.54 3.33 0.15 -0.67 -1.94 -1.26 -4.65 119.30 121.80 1tl4 s MET 10 Ca 0.75 -1.08 0.00 0.00 -1.71 0.00 0.00 55.69 53.66 1tl4 s MET 10 Cb -0.03 -4.58 -0.03 0.00 2.01 0.00 0.00 34.83 32.21 1tl4 s MET 10 CO 0.16 -1.89 1.36 1.79 -0.01 0.00 0.00 175.02 176.43 1tl4 h THR 11 N 6.05 1.46 -4.55 2.05 1.35 -1.90 -3.44 112.91 113.92 1tl4 h THR 11 Ca -0.09 -2.53 -0.23 0.00 -0.55 0.00 0.00 66.41 63.01 1tl4 h THR 11 Cb 1.05 2.42 -0.15 0.00 -1.73 0.00 0.00 68.15 69.74 1tl4 h THR 11 CO 1.20 0.74 -0.62 0.00 -0.25 0.00 0.00 175.52 176.59 1tl4 h GLY 13 N 2.66 1.43 -0.05 0.00 0.00 -1.99 0.79 103.07 105.91 1tl4 h GLY 13 Ca -0.36 -0.02 0.23 0.00 0.00 0.00 0.00 47.33 47.19 1tl4 h GLY 13 CO 0.54 -0.43 0.61 -1.33 0.00 0.00 0.00 176.54 175.93 1tl4 h GLY 14 N 0.16 1.81 0.95 4.60 0.00 -1.98 0.15 103.07 108.76 1tl4 h GLY 14 Ca 0.59 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.52 1tl4 h GLY 14 CO -0.71 -0.18 -0.12 0.00 0.00 0.00 0.00 176.54 175.54 1tl4 h ALA 16 N 0.81 0.43 -0.26 0.00 0.00 -0.80 0.13 119.26 119.56 1tl4 h ALA 16 Ca 0.09 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1tl4 h ALA 16 Cb 0.64 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1tl4 h ALA 16 CO 0.04 -0.15 -0.10 0.93 0.00 0.00 0.00 179.25 179.97 1tl4 h GLU 17 N 0.42 -0.06 -0.02 0.00 5.08 -0.71 0.11 114.58 119.40 1tl4 h GLU 17 Ca 0.13 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1tl4 h GLU 17 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1tl4 h GLU 17 CO -0.06 -0.04 -0.12 0.00 -1.00 0.00 0.00 179.01 177.80 1tl4 h ALA 18 N 1.16 -0.11 -0.34 3.43 0.00 -0.38 0.78 119.26 123.79 1tl4 h ALA 18 Ca 0.13 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1tl4 h ALA 18 Cb 0.26 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1tl4 h ALA 18 CO -0.30 -0.60 0.01 0.28 0.00 0.00 0.00 179.25 178.64 1tl4 h VAL 19 N -0.19 0.76 -0.24 0.00 2.07 -0.45 -1.95 116.25 116.25 1tl4 h VAL 19 Ca 0.05 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1tl4 h VAL 19 Cb 0.26 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1tl4 h VAL 19 CO -0.13 0.02 -0.02 -1.28 0.02 0.00 0.00 177.57 176.18 1tl4 h SER 20 N 0.11 -0.14 -0.96 0.57 0.87 -0.29 0.91 113.55 114.62 1tl4 h SER 20 Ca 0.17 0.06 0.21 0.00 -1.23 0.00 0.00 61.79 61.00 1tl4 h SER 20 Cb 0.22 0.11 -0.12 0.00 -0.44 0.00 0.00 62.40 62.18 1tl4 h SER 20 CO -0.27 -0.04 0.53 0.08 -0.53 0.00 0.00 176.83 176.60 1tl4 h ARG 21 N 0.05 0.58 0.14 2.24 0.11 -0.32 0.25 114.38 117.43 1tl4 h ARG 21 Ca 0.11 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 1tl4 h ARG 21 Cb 0.16 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1tl4 h ARG 21 CO -0.21 0.38 -0.07 0.28 0.10 0.00 0.00 179.97 180.46 1tl4 h VAL 22 N 0.60 0.56 -0.98 0.08 2.07 -0.49 -3.10 116.25 114.98 1tl4 h VAL 22 Ca 0.58 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1tl4 h VAL 22 Cb 1.02 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1tl4 h VAL 22 CO -0.45 0.17 0.63 -0.07 0.02 0.00 0.00 177.57 177.87 1tl4 h LEU 23 N -0.98 1.14 -0.90 2.57 3.38 -0.66 0.17 115.31 120.04 1tl4 h LEU 23 Ca -0.02 -0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.13 1tl4 h LEU 23 Cb 0.42 -0.29 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 1tl4 h LEU 23 CO 0.03 0.85 0.40 -1.13 0.09 0.00 0.00 178.44 178.67 1tl4 h ASN 24 N 1.34 0.34 0.44 -0.43 -0.00 -0.63 0.11 115.58 116.75 1tl4 h ASN 24 Ca 0.36 0.15 -0.04 0.00 -0.00 0.00 0.00 56.30 56.77 1tl4 h ASN 24 Cb -0.12 0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.32 1tl4 h ASN 24 CO -0.07 0.00 -0.19 0.50 -0.00 0.00 0.00 177.43 177.67 1tl4 h LYS 25 N 0.41 0.00 0.32 6.67 1.63 -0.60 -1.81 116.57 123.19 1tl4 h LYS 25 Ca 0.56 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.36 1tl4 h LYS 25 Cb 1.06 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 1tl4 h LYS 25 CO -0.52 0.19 -0.31 1.25 -3.45 0.00 0.00 179.45 176.61 1tl4 h LEU 26 N 0.00 -0.82 0.00 5.20 7.12 -0.43 -3.49 115.31 122.89 1tl4 h LEU 26 Ca -0.00 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.08 1tl4 h LEU 26 Cb 0.46 0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.87 1tl4 h LEU 26 CO 0.02 -0.44 0.00 0.61 -0.13 0.00 0.00 178.44 178.50 1tl4 n GLY 27 N -1.42 1.51 1.86 3.75 0.00 -0.68 -4.92 105.19 105.29 1tl4 n GLY 27 Ca -0.09 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 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 3.46 3.89 -0.02 0.00 -1.26 -4.83 105.19 106.43 1tl4 n GLY 28 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.07 5.21 -0.00 1.61 -7.23 -1.26 -4.73 120.40 112.93 1tl4 s VAL 29 Ca 0.30 0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.55 1tl4 s VAL 29 Cb 0.19 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.51 1tl4 s VAL 29 CO -0.03 0.14 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.26 1tl4 s LYS 30 N -2.39 0.79 -0.24 4.82 -0.14 -1.26 -5.01 119.74 116.31 1tl4 s LYS 30 Ca 0.37 -0.39 -0.18 0.00 -1.36 0.00 0.00 55.97 54.41 1tl4 s LYS 30 Cb -0.13 -0.76 0.07 0.00 -1.68 0.00 0.00 37.83 35.33 1tl4 s LYS 30 CO 0.23 0.21 0.62 1.52 -0.76 0.00 0.00 175.35 177.16 1tl4 s TYR 31 N -0.30 -0.81 0.17 3.18 1.13 -1.26 -0.94 117.35 118.50 1tl4 s TYR 31 Ca 0.03 1.79 -0.06 0.00 -1.41 0.00 0.00 57.07 57.43 1tl4 s TYR 31 Cb -0.04 0.39 -0.06 0.00 -1.10 0.00 0.00 41.96 41.14 1tl4 s TYR 31 CO -0.00 -0.41 0.42 0.34 -2.51 0.00 0.00 175.55 173.39 1tl4 s ASP 32 N 0.96 6.52 -0.33 -0.18 2.15 0.18 -4.92 116.67 121.06 1tl4 s ASP 32 Ca -0.05 0.66 -0.01 0.00 0.43 0.00 0.00 52.55 53.58 1tl4 s ASP 32 Cb -0.05 -2.12 0.11 0.00 -0.30 0.00 0.00 42.92 40.56 1tl4 s ASP 32 CO -0.09 0.02 0.14 -0.63 -0.17 0.00 0.00 175.17 174.44 1tl4 s ILE 33 N -1.71 0.66 -0.43 4.11 1.01 -1.26 -0.64 121.20 122.94 1tl4 s ILE 33 Ca 0.42 -1.46 -0.22 0.00 0.00 0.00 0.00 60.65 59.40 1tl4 s ILE 33 Cb -0.12 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.87 1tl4 s ILE 33 CO 0.24 -0.76 0.70 -0.62 0.00 0.00 0.00 174.94 174.51 1tl4 s ASP 34 N 1.48 6.38 -0.04 3.58 -1.08 0.44 -4.96 116.67 122.47 1tl4 s ASP 34 Ca 0.12 -0.17 -0.08 0.00 -0.52 0.00 0.00 52.55 51.89 1tl4 s ASP 34 Cb -0.19 -2.35 -0.05 0.00 -1.46 0.00 0.00 42.92 38.88 1tl4 s ASP 34 CO -0.21 -0.81 0.41 -0.07 0.52 0.00 0.00 175.17 175.00 1tl4 h LEU 35 N 9.84 -0.25 -1.43 -1.34 3.38 -1.91 0.85 115.31 124.45 1tl4 h LEU 35 Ca -0.25 0.01 0.19 0.00 0.09 0.00 0.00 57.88 57.92 1tl4 h LEU 35 Cb 1.09 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 1tl4 h LEU 35 CO 0.91 0.09 0.59 1.55 0.09 0.00 0.00 178.44 181.68 1tl4 h PRO 36 N -0.85 0.47 -0.54 1.13 0.13 -1.93 -0.10 132.00 130.31 1tl4 h PRO 36 Ca -0.03 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1tl4 h PRO 36 Cb 0.23 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1tl4 h PRO 36 CO 0.05 0.31 0.00 0.09 -0.23 0.00 0.00 178.00 178.22 1tl4 n ASN 37 N -4.54 3.52 -3.48 1.44 3.02 -1.26 -5.02 115.26 108.95 1tl4 n ASN 37 Ca 0.19 -1.98 -0.24 0.00 -0.03 0.00 0.00 54.58 52.53 1tl4 n ASN 37 Cb 0.65 -0.35 0.06 0.00 -0.61 0.00 0.00 39.78 39.52 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 1.30 -1.70 -3.84 3.52 4.01 -0.05 -4.89 118.16 116.52 1tl4 n LYS 38 Ca 0.20 0.65 -0.12 0.00 -0.51 0.00 0.00 58.31 58.53 1tl4 n LYS 38 Cb 0.56 -4.93 -0.11 0.00 -0.51 0.00 0.00 35.03 30.04 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 -5.23 0.33 -0.17 1.97 1.02 0.18 -0.76 119.74 117.08 1tl4 s LYS 39 Ca 0.47 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1tl4 s LYS 39 Cb -0.12 0.15 0.03 0.00 -0.52 0.00 0.00 37.83 37.37 1tl4 s LYS 39 CO 0.80 -0.07 -0.11 0.08 -0.92 0.00 0.00 175.35 175.14 1tl4 s VAL 40 N -0.58 1.53 -0.54 3.17 1.01 0.29 -0.42 120.40 124.86 1tl4 s VAL 40 Ca -0.07 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.99 1tl4 s VAL 40 Cb -0.04 -1.56 0.13 0.00 0.00 0.00 0.00 36.38 34.92 1tl4 s VAL 40 CO 0.01 0.27 0.44 0.00 0.00 0.00 0.00 175.10 175.82 1tl4 s ILE 42 N 1.25 4.08 -0.21 0.00 1.01 -0.18 -0.64 121.20 126.51 1tl4 s ILE 42 Ca 0.07 1.76 -0.04 0.00 0.00 0.00 0.00 60.65 62.44 1tl4 s ILE 42 Cb -0.26 -3.99 0.09 0.00 0.01 0.00 0.00 42.46 38.31 1tl4 s ILE 42 CO -0.00 0.17 0.20 -0.70 0.00 0.00 0.00 174.94 174.60 1tl4 s GLU 43 N -1.99 0.18 0.38 2.79 2.12 -0.12 -0.35 118.70 121.71 1tl4 s GLU 43 Ca 0.50 0.06 -0.16 0.00 0.36 0.00 0.00 54.97 55.73 1tl4 s GLU 43 Cb -0.21 -1.27 0.05 0.00 0.26 0.00 0.00 34.13 32.97 1tl4 s GLU 43 CO 0.26 -0.72 0.78 0.45 -0.54 0.00 0.00 175.26 175.48 1tl4 s SER 44 N 2.28 0.02 0.07 -1.70 0.15 -1.00 -3.98 113.70 109.53 1tl4 s SER 44 Ca 0.06 -1.13 -0.37 0.00 0.70 0.00 0.00 55.95 55.21 1tl4 s SER 44 Cb -0.16 0.84 -0.20 0.00 -1.71 0.00 0.00 66.02 64.80 1tl4 s SER 44 CO -0.16 -1.67 1.56 -0.08 1.20 0.00 0.00 173.24 174.10 1tl4 h GLU 45 N 2.00 -1.22 -6.00 5.44 4.22 -1.85 -3.42 114.58 113.76 1tl4 h GLU 45 Ca -0.31 0.08 -0.86 0.00 0.08 0.00 0.00 59.36 58.35 1tl4 h GLU 45 Cb 1.25 0.28 -0.00 0.00 0.50 0.00 0.00 28.75 30.78 1tl4 h GLU 45 CO 0.40 -0.81 0.83 0.72 -2.18 0.00 0.00 179.01 177.96 1tl4 n HIS 46 N -5.62 1.63 -1.66 0.92 8.25 -1.26 -4.83 115.22 112.65 1tl4 n HIS 46 Ca -0.16 1.07 -0.40 0.00 -0.26 0.00 0.00 57.72 57.97 1tl4 n HIS 46 Cb 0.52 -2.24 0.03 0.00 1.12 0.00 0.00 29.99 29.41 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 4.76 1.74 -0.35 0.41 2.88 -1.26 -4.77 113.62 117.04 1tl4 n SER 47 Ca 0.36 0.98 0.26 0.00 -1.33 0.00 0.00 58.87 59.15 1tl4 n SER 47 Cb -0.06 -1.44 0.55 0.00 -0.75 0.00 0.00 64.21 62.51 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 1.40 0.30 0.25 -1.46 -0.00 -1.95 -1.51 114.93 111.96 1tl4 h MET 48 Ca -0.48 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.20 1tl4 h MET 48 Cb 1.33 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 32.85 1tl4 h MET 48 CO 0.56 0.20 -0.19 0.22 -0.00 0.00 0.00 176.91 177.69 1tl4 h ASP 49 N 0.31 -0.51 -0.40 -0.10 3.58 -1.99 0.25 116.42 117.57 1tl4 h ASP 49 Ca 0.64 0.04 0.08 0.00 0.42 0.00 0.00 57.03 58.22 1tl4 h ASP 49 Cb 1.77 0.17 -0.09 0.00 1.72 0.00 0.00 39.33 42.90 1tl4 h ASP 49 CO -0.32 -0.30 -0.20 0.74 -2.88 0.00 0.00 179.24 176.29 1tl4 h THR 50 N -0.45 0.42 0.72 2.25 2.02 -1.63 0.04 112.91 116.27 1tl4 h THR 50 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1tl4 h THR 50 Cb 0.40 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1tl4 h THR 50 CO -0.01 0.00 -0.45 -0.07 0.37 0.00 0.00 175.52 175.36 1tl4 h LEU 51 N -0.13 -1.14 -0.95 2.58 -0.00 -1.25 -2.35 115.31 112.08 1tl4 h LEU 51 Ca 0.19 0.07 0.12 0.00 -0.00 0.00 0.00 57.88 58.26 1tl4 h LEU 51 Cb 0.43 0.34 -0.14 0.00 -0.00 0.00 0.00 40.66 41.28 1tl4 h LEU 51 CO -0.48 -0.69 -0.44 0.18 -0.00 0.00 0.00 178.44 177.01 1tl4 n LEU 52 N -5.59 -0.76 -0.20 1.67 4.32 0.84 0.21 117.00 117.50 1tl4 n LEU 52 Ca -0.14 1.67 -0.06 0.00 -0.02 0.00 0.00 56.01 57.46 1tl4 n LEU 52 Cb 0.47 -0.32 0.04 0.00 -1.62 0.00 0.00 43.42 41.98 1tl4 n LEU 52 CO 0.34 -1.45 1.10 0.00 -1.22 0.00 0.00 177.39 176.17 1tl4 h ALA 53 N 1.01 0.73 -0.16 -1.18 0.00 -0.80 -0.25 119.26 118.61 1tl4 h ALA 53 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1tl4 h ALA 53 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1tl4 h ALA 53 CO -0.93 0.13 -0.02 1.15 0.00 0.00 0.00 179.25 179.59 1tl4 h THR 54 N 0.74 1.27 -0.22 0.00 2.02 -0.62 -3.30 112.91 112.79 1tl4 h THR 54 Ca 0.22 -0.91 -0.10 0.00 0.77 0.00 0.00 66.41 66.39 1tl4 h THR 54 Cb -0.05 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1tl4 h THR 54 CO -0.06 0.27 -0.29 -0.07 0.37 0.00 0.00 175.52 175.73 1tl4 h LEU 55 N 0.01 0.43 -0.99 2.58 3.38 0.10 0.25 115.31 121.07 1tl4 h LEU 55 Ca 0.04 -0.15 0.35 0.00 0.09 0.00 0.00 57.88 58.21 1tl4 h LEU 55 Cb 0.41 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 40.88 1tl4 h LEU 55 CO 0.01 0.71 0.47 0.11 0.09 0.00 0.00 178.44 179.84 1tl4 h LYS 56 N 0.37 0.15 0.00 1.13 6.56 -1.13 -0.65 116.57 123.00 1tl4 h LYS 56 Ca 0.05 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1tl4 h LYS 56 Cb 0.70 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 1tl4 h LYS 56 CO 0.05 0.10 0.00 1.63 -2.06 0.00 0.00 179.45 179.17 1tl4 n LYS 57 N -5.19 0.01 -0.05 3.15 5.02 0.08 -1.10 118.16 120.07 1tl4 n LYS 57 Ca 0.32 0.30 -0.05 0.00 -2.02 0.00 0.00 58.31 56.86 1tl4 n LYS 57 Cb 1.06 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.72 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 1.26 -6.09 -0.18 1.35 -1.25 -3.48 112.91 104.53 1tl4 h THR 58 Ca 0.00 -1.19 -0.42 0.00 -0.55 0.00 0.00 66.41 64.25 1tl4 h THR 58 Cb 0.19 1.15 0.05 0.00 -1.73 0.00 0.00 68.15 67.82 1tl4 h THR 58 CO 0.00 0.40 -0.82 0.61 -0.25 0.00 0.00 175.52 175.46 1tl4 n GLY 59 N -0.43 -0.32 0.00 5.82 0.00 -0.26 -5.01 105.19 105.00 1tl4 n GLY 59 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.32 1.08 -1.10 1.61 4.76 -1.26 -4.97 118.16 113.96 1tl4 n LYS 60 Ca -0.26 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.85 1tl4 n LYS 60 Cb 0.66 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.83 1tl4 n LYS 60 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1tl4 n THR 61 N -1.02 3.63 -2.56 -0.18 -2.24 -1.26 -4.86 114.28 105.80 1tl4 n THR 61 Ca 0.00 -2.16 -0.41 0.00 -2.27 0.00 0.00 64.05 59.20 1tl4 n THR 61 Cb 0.00 -2.44 -0.02 0.00 -2.10 0.00 0.00 70.33 65.77 1tl4 n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1tl4 s VAL 62 N 2.62 3.99 -0.26 2.28 0.11 -1.25 -3.92 120.40 123.96 1tl4 s VAL 62 Ca 0.59 -1.20 -0.09 0.00 -2.93 0.00 0.00 61.98 58.35 1tl4 s VAL 62 Cb 0.15 -5.10 -0.04 0.00 -1.53 0.00 0.00 36.38 29.87 1tl4 s VAL 62 CO -0.05 -1.95 0.12 -0.44 -3.33 0.00 0.00 175.10 169.45 1tl4 s SER 63 N 4.75 5.53 0.20 3.54 0.01 0.10 -4.90 113.70 122.93 1tl4 s SER 63 Ca 0.50 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.34 1tl4 s SER 63 Cb 0.01 -2.01 -0.08 0.00 0.21 0.00 0.00 66.02 64.16 1tl4 s SER 63 CO -0.03 -0.03 0.97 -0.47 0.41 0.00 0.00 173.24 174.09 1tl4 s TYR 64 N 1.63 3.88 0.35 2.43 5.04 -1.26 -0.67 117.35 128.75 1tl4 s TYR 64 Ca 0.07 1.85 0.04 0.00 -2.44 0.00 0.00 57.07 56.58 1tl4 s TYR 64 Cb -0.15 -3.04 0.04 0.00 0.35 0.00 0.00 41.96 39.15 1tl4 s TYR 64 CO 0.07 0.25 0.31 1.28 -1.34 0.00 0.00 175.55 176.11 1tl4 n LEU 65 N 1.93 0.00 -4.13 6.97 4.32 0.40 -4.92 117.00 121.57 1tl4 n LEU 65 Ca -0.00 -1.74 -0.24 0.00 -0.02 0.00 0.00 56.01 54.01 1tl4 n LEU 65 Cb 0.47 -0.08 0.19 0.00 -1.62 0.00 0.00 43.42 42.39 1tl4 n LEU 65 CO 0.51 -0.50 0.00 0.61 -1.22 0.00 0.00 177.39 176.79 1tl4 n GLY 66 N 0.80 -2.78 3.27 -0.72 0.00 -1.26 -4.58 105.19 99.92 1tl4 n GLY 66 Ca 0.01 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.18 2.09 0.00 0.99 2.96 -1.26 -3.93 118.68 117.35 1tl4 s LEU 67 Ca 0.48 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1tl4 s LEU 67 Cb -0.09 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 45.21 1tl4 s LEU 67 CO 0.46 0.24 0.00 1.21 -1.32 0.00 0.00 176.35 176.94