#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl4 s PRO 2 N 0.00 3.10 -0.07 0.03 0.04 -1.26 -4.96 135.00 131.89 1tl4 s PRO 2 Ca 0.00 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.24 1tl4 s PRO 2 Cb 0.00 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1tl4 s PRO 2 CO 0.00 -0.98 -0.23 0.21 0.04 0.00 0.00 177.00 176.03 1tl4 s LYS 3 N -4.39 2.65 -0.27 4.56 2.20 0.12 -3.53 119.74 121.09 1tl4 s LYS 3 Ca 0.62 -0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 55.34 1tl4 s LYS 3 Cb -0.16 -2.22 0.09 0.00 -1.51 0.00 0.00 37.83 34.02 1tl4 s LYS 3 CO 0.43 0.37 0.08 -1.01 -0.36 0.00 0.00 175.35 174.86 1tl4 s HIS 4 N -0.12 1.30 0.35 4.03 3.76 0.37 -0.89 115.29 124.09 1tl4 s HIS 4 Ca -0.05 -1.32 -0.10 0.00 -0.15 0.00 0.00 55.06 53.45 1tl4 s HIS 4 Cb -0.14 -1.36 -0.07 0.00 1.11 0.00 0.00 32.58 32.12 1tl4 s HIS 4 CO 0.04 -0.78 0.69 -1.21 -0.85 0.00 0.00 174.74 172.63 1tl4 s GLU 5 N 1.76 3.78 -0.02 1.40 2.02 0.20 -0.79 118.70 127.06 1tl4 s GLU 5 Ca 0.06 0.37 0.01 0.00 0.02 0.00 0.00 54.97 55.43 1tl4 s GLU 5 Cb -0.17 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1tl4 s GLU 5 CO -0.21 0.09 -0.02 -0.06 0.02 0.00 0.00 175.26 175.08 1tl4 s PHE 6 N -2.18 0.35 -0.12 1.61 0.40 0.70 -0.46 117.98 118.27 1tl4 s PHE 6 Ca 0.50 -0.05 -0.16 0.00 -0.60 0.00 0.00 56.93 56.61 1tl4 s PHE 6 Cb -0.10 -0.31 -0.04 0.00 0.51 0.00 0.00 43.02 43.07 1tl4 s PHE 6 CO 0.28 -0.06 0.41 0.45 0.70 0.00 0.00 175.22 176.99 1tl4 s SER 7 N 0.38 6.61 -0.07 1.36 0.15 0.30 -0.34 113.70 122.09 1tl4 s SER 7 Ca -0.04 0.72 -0.01 0.00 0.70 0.00 0.00 55.95 57.32 1tl4 s SER 7 Cb -0.07 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 1tl4 s SER 7 CO -0.01 0.06 -0.00 -0.69 1.20 0.00 0.00 173.24 173.80 1tl4 s VAL 8 N 0.44 0.40 -0.45 4.45 1.01 0.14 -0.18 120.40 126.21 1tl4 s VAL 8 Ca 0.23 0.10 -0.42 0.00 0.00 0.00 0.00 61.98 61.89 1tl4 s VAL 8 Cb -0.14 -0.55 -0.17 0.00 0.00 0.00 0.00 36.38 35.52 1tl4 s VAL 8 CO 0.08 0.26 2.09 -0.67 0.00 0.00 0.00 175.10 176.87 1tl4 n ASP 9 N 5.09 1.22 -3.02 3.32 2.03 -1.25 -4.06 116.55 119.88 1tl4 n ASP 9 Ca -0.08 0.67 -0.26 0.00 0.52 0.00 0.00 54.79 55.64 1tl4 n ASP 9 Cb 0.50 -1.00 -0.04 0.00 -0.72 0.00 0.00 41.12 39.85 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 7.31 2.90 0.19 -0.67 2.81 -1.26 -4.75 117.12 123.65 1tl4 n MET 10 Ca 0.48 -4.67 0.06 0.00 -1.81 0.00 0.00 57.70 51.77 1tl4 n MET 10 Cb 0.03 -2.17 0.34 0.00 -0.71 0.00 0.00 33.22 30.71 1tl4 n MET 10 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tl4 h THR 11 N 2.77 0.80 -4.09 2.03 1.03 -1.93 -3.42 112.91 110.10 1tl4 h THR 11 Ca 0.13 -1.48 -0.44 0.00 -0.01 0.00 0.00 66.41 64.61 1tl4 h THR 11 Cb 0.57 1.93 -0.27 0.00 -1.07 0.00 0.00 68.15 69.31 1tl4 h THR 11 CO 0.78 0.34 -0.79 0.00 -0.01 0.00 0.00 175.52 175.84 1tl4 h GLY 13 N 5.47 0.64 0.99 0.00 0.00 -2.00 -1.07 103.07 107.09 1tl4 h GLY 13 Ca -0.35 -0.13 0.11 0.00 0.00 0.00 0.00 47.33 46.97 1tl4 h GLY 13 CO 0.47 -0.03 0.40 -1.33 0.00 0.00 0.00 176.54 176.04 1tl4 h GLY 14 N 0.26 0.00 0.86 4.60 0.00 -1.96 0.11 103.07 106.94 1tl4 h GLY 14 Ca 0.49 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.86 1tl4 h GLY 14 CO -0.14 0.00 0.58 0.00 0.00 0.00 0.00 176.54 176.97 1tl4 h ALA 16 N 1.38 0.32 -0.21 0.00 0.00 -0.98 0.10 119.26 119.87 1tl4 h ALA 16 Ca 0.36 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.25 1tl4 h ALA 16 Cb 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 1tl4 h ALA 16 CO -0.12 -0.15 -0.52 0.93 0.00 0.00 0.00 179.25 179.38 1tl4 h GLU 17 N 0.30 -0.49 -0.12 0.00 5.08 -1.43 0.37 114.58 118.29 1tl4 h GLU 17 Ca 0.09 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1tl4 h GLU 17 Cb 0.06 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1tl4 h GLU 17 CO -0.01 -0.33 -0.08 0.00 -1.00 0.00 0.00 179.01 177.58 1tl4 h ALA 18 N -0.12 0.02 -0.08 3.43 0.00 -0.35 0.13 119.26 122.29 1tl4 h ALA 18 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1tl4 h ALA 18 Cb 0.65 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1tl4 h ALA 18 CO -0.48 -0.54 -0.11 0.28 0.00 0.00 0.00 179.25 178.41 1tl4 h VAL 19 N -0.09 0.71 -0.52 0.00 2.07 -0.67 0.12 116.25 117.87 1tl4 h VAL 19 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1tl4 h VAL 19 Cb 0.19 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1tl4 h VAL 19 CO -0.17 0.00 0.24 -1.28 0.02 0.00 0.00 177.57 176.38 1tl4 h SER 20 N -0.14 0.32 -0.45 0.57 0.87 -0.03 0.14 113.55 114.83 1tl4 h SER 20 Ca 0.07 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1tl4 h SER 20 Cb 0.24 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 1tl4 h SER 20 CO -0.17 0.22 0.15 -0.09 -0.53 0.00 0.00 176.83 176.41 1tl4 h ARG 21 N 0.46 0.31 0.10 2.24 2.43 -0.40 0.44 114.38 119.96 1tl4 h ARG 21 Ca 0.24 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1tl4 h ARG 21 Cb 0.19 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1tl4 h ARG 21 CO -0.19 0.21 -0.05 -0.24 -1.51 0.00 0.00 179.97 178.19 1tl4 h VAL 22 N 0.32 0.95 -0.06 0.20 3.04 0.72 -1.88 116.25 119.55 1tl4 h VAL 22 Ca 0.21 -0.19 -0.14 0.00 -1.01 0.00 0.00 66.70 65.57 1tl4 h VAL 22 Cb 0.21 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 1tl4 h VAL 22 CO -0.22 0.05 -0.61 -0.07 -1.01 0.00 0.00 177.57 175.71 1tl4 h LEU 23 N -0.22 0.23 -0.95 3.16 3.38 -0.65 -2.12 115.31 118.14 1tl4 h LEU 23 Ca -0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1tl4 h LEU 23 Cb 0.18 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1tl4 h LEU 23 CO 0.02 0.78 0.54 -1.13 0.09 0.00 0.00 178.44 178.75 1tl4 h ASN 24 N 0.15 1.13 -0.83 -0.43 -0.00 0.01 0.17 115.58 115.79 1tl4 h ASN 24 Ca -0.01 -0.08 0.09 0.00 -0.00 0.00 0.00 56.30 56.31 1tl4 h ASN 24 Cb 1.11 -0.29 -0.06 0.00 -0.00 0.00 0.00 38.32 39.08 1tl4 h ASN 24 CO 0.09 0.88 0.54 0.50 -0.00 0.00 0.00 177.43 179.44 1tl4 h LYS 25 N 1.29 0.78 -0.07 6.67 3.64 -0.67 0.11 116.57 128.32 1tl4 h LYS 25 Ca 0.33 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1tl4 h LYS 25 Cb -0.03 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1tl4 h LYS 25 CO -0.06 0.52 0.04 1.25 -2.27 0.00 0.00 179.45 178.93 1tl4 h LEU 26 N 0.81 0.07 0.00 5.20 7.12 -0.86 -3.46 115.31 124.18 1tl4 h LEU 26 Ca 0.38 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.39 1tl4 h LEU 26 Cb 0.40 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1tl4 h LEU 26 CO -0.15 0.05 0.00 0.61 -0.13 0.00 0.00 178.44 178.82 1tl4 n GLY 27 N -1.11 1.89 2.13 3.75 0.00 0.47 -4.73 105.19 107.58 1tl4 n GLY 27 Ca -0.06 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 2.50 3.05 -0.02 0.00 -1.26 -4.80 105.19 104.66 1tl4 n GLY 28 Ca 0.00 -0.91 -0.09 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 1.51 0.25 0.02 1.61 -7.23 -1.26 -4.72 120.40 110.59 1tl4 s VAL 29 Ca 0.50 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1tl4 s VAL 29 Cb 0.24 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 1tl4 s VAL 29 CO -0.00 -0.72 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.50 1tl4 s LYS 30 N -2.65 0.32 -0.20 4.82 -0.14 -1.22 -5.03 119.74 115.63 1tl4 s LYS 30 Ca -0.04 -0.61 -0.21 0.00 -1.36 0.00 0.00 55.97 53.75 1tl4 s LYS 30 Cb -0.02 0.09 0.06 0.00 -1.68 0.00 0.00 37.83 36.28 1tl4 s LYS 30 CO -0.05 -0.04 0.58 1.52 -0.76 0.00 0.00 175.35 176.60 1tl4 s TYR 31 N -1.44 -0.63 0.25 3.18 1.13 -1.26 -1.20 117.35 117.37 1tl4 s TYR 31 Ca -0.16 1.50 -0.11 0.00 -1.41 0.00 0.00 57.07 56.90 1tl4 s TYR 31 Cb -0.10 0.23 -0.08 0.00 -1.10 0.00 0.00 41.96 40.91 1tl4 s TYR 31 CO -0.01 -0.33 0.58 0.34 -2.51 0.00 0.00 175.55 173.62 1tl4 s ASP 32 N 0.18 6.65 -0.32 -0.18 2.15 0.17 -4.89 116.67 120.42 1tl4 s ASP 32 Ca -0.01 0.98 -0.01 0.00 0.43 0.00 0.00 52.55 53.94 1tl4 s ASP 32 Cb -0.04 -2.25 0.11 0.00 -0.30 0.00 0.00 42.92 40.44 1tl4 s ASP 32 CO 0.01 -0.10 0.13 -0.63 -0.17 0.00 0.00 175.17 174.42 1tl4 s ILE 33 N -1.85 0.61 -0.40 4.11 1.01 -1.26 -0.70 121.20 122.72 1tl4 s ILE 33 Ca 0.49 -1.40 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 1tl4 s ILE 33 Cb -0.11 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1tl4 s ILE 33 CO 0.21 -0.75 0.29 -0.62 0.00 0.00 0.00 174.94 174.07 1tl4 s ASP 34 N 1.53 6.09 -0.08 3.58 -1.08 0.10 -4.98 116.67 121.84 1tl4 s ASP 34 Ca 0.11 -0.85 -0.14 0.00 -0.52 0.00 0.00 52.55 51.15 1tl4 s ASP 34 Cb -0.18 -2.15 -0.10 0.00 -1.46 0.00 0.00 42.92 39.02 1tl4 s ASP 34 CO -0.22 -0.43 0.50 0.25 0.52 0.00 0.00 175.17 175.79 1tl4 h LEU 35 N 8.61 -0.15 -0.86 -1.34 6.46 -1.96 0.19 115.31 126.26 1tl4 h LEU 35 Ca -0.27 -0.24 0.11 0.00 -0.12 0.00 0.00 57.88 57.35 1tl4 h LEU 35 Cb 1.12 0.04 -0.08 0.00 -0.73 0.00 0.00 40.66 41.01 1tl4 h LEU 35 CO 0.72 0.42 0.50 1.55 -0.62 0.00 0.00 178.44 181.01 1tl4 h PRO 36 N -0.99 0.78 -0.02 5.25 0.13 -1.93 -1.20 132.00 134.01 1tl4 h PRO 36 Ca -0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1tl4 h PRO 36 Cb 0.39 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1tl4 h PRO 36 CO 0.03 0.51 -0.01 0.09 -0.23 0.00 0.00 178.00 178.40 1tl4 n ASN 37 N -4.74 1.68 -3.13 1.44 3.02 -1.25 -4.99 115.26 107.28 1tl4 n ASN 37 Ca 0.15 -1.55 -0.12 0.00 -0.03 0.00 0.00 54.58 53.03 1tl4 n ASN 37 Cb 0.32 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.55 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 0.30 -2.01 -3.83 3.52 5.02 0.17 -4.88 118.16 116.45 1tl4 n LYS 38 Ca 0.18 0.91 -0.12 0.00 -2.02 0.00 0.00 58.31 57.27 1tl4 n LYS 38 Cb 0.39 -5.61 -0.09 0.00 -0.02 0.00 0.00 35.03 29.70 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tl4 s LYS 39 N -4.13 0.54 -0.22 1.97 1.02 0.44 -0.68 119.74 118.69 1tl4 s LYS 39 Ca 0.37 -0.28 -0.01 0.00 0.02 0.00 0.00 55.97 56.07 1tl4 s LYS 39 Cb -0.05 0.23 0.06 0.00 -0.52 0.00 0.00 37.83 37.56 1tl4 s LYS 39 CO 0.70 -0.14 0.01 0.08 -0.92 0.00 0.00 175.35 175.09 1tl4 s VAL 40 N -1.28 0.90 -0.39 3.17 1.01 0.54 -0.72 120.40 123.63 1tl4 s VAL 40 Ca -0.13 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1tl4 s VAL 40 Cb -0.06 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 35.05 1tl4 s VAL 40 CO 0.02 -0.20 0.20 0.00 0.00 0.00 0.00 175.10 175.12 1tl4 s ILE 42 N 1.38 5.37 -0.13 0.00 1.01 0.03 -0.66 121.20 128.20 1tl4 s ILE 42 Ca 0.02 0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.80 1tl4 s ILE 42 Cb -0.22 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.77 1tl4 s ILE 42 CO 0.01 0.44 0.04 -0.70 0.00 0.00 0.00 174.94 174.73 1tl4 s GLU 43 N -1.56 0.41 0.33 2.79 2.12 -0.34 -0.47 118.70 121.98 1tl4 s GLU 43 Ca 0.24 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.32 1tl4 s GLU 43 Cb -0.13 -1.46 0.04 0.00 0.26 0.00 0.00 34.13 32.85 1tl4 s GLU 43 CO 0.13 -0.49 0.79 0.45 -0.54 0.00 0.00 175.26 175.59 1tl4 s SER 44 N 2.00 -0.09 -0.53 -1.70 0.15 -1.23 -3.43 113.70 108.87 1tl4 s SER 44 Ca 0.02 -0.91 -0.07 0.00 0.70 0.00 0.00 55.95 55.69 1tl4 s SER 44 Cb -0.15 0.78 -0.21 0.00 -1.71 0.00 0.00 66.02 64.74 1tl4 s SER 44 CO -0.07 -1.51 3.40 -0.62 1.20 0.00 0.00 173.24 175.64 1tl4 n GLU 45 N -0.51 2.56 -3.94 5.44 -0.58 -1.26 -4.25 120.64 118.09 1tl4 n GLU 45 Ca -0.07 -1.41 -0.23 0.00 -0.42 0.00 0.00 57.16 55.03 1tl4 n GLU 45 Cb 0.60 -2.26 -0.17 0.00 -0.57 0.00 0.00 31.44 29.04 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 1.32 0.95 0.59 -0.32 3.76 -1.26 -5.09 115.29 115.24 1tl4 s HIS 46 Ca 0.68 -0.35 -0.20 0.00 -0.15 0.00 0.00 55.06 55.04 1tl4 s HIS 46 Cb 0.28 -0.90 -0.04 0.00 1.11 0.00 0.00 32.58 33.03 1tl4 s HIS 46 CO -0.02 -0.34 1.25 0.45 -0.85 0.00 0.00 174.74 175.22 1tl4 n SER 47 N 4.76 2.04 -0.34 1.40 2.88 -1.26 -4.76 113.62 118.34 1tl4 n SER 47 Ca -0.14 0.89 0.28 0.00 -1.33 0.00 0.00 58.87 58.58 1tl4 n SER 47 Cb 0.50 -1.53 0.60 0.00 -0.75 0.00 0.00 64.21 63.03 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 0.90 0.23 0.63 -1.46 -0.00 -1.97 -1.03 114.93 112.23 1tl4 h MET 48 Ca -0.50 -0.01 -0.03 0.00 -0.00 0.00 0.00 59.70 59.16 1tl4 h MET 48 Cb 1.33 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 1tl4 h MET 48 CO 0.54 0.15 -0.34 -0.44 -0.00 0.00 0.00 176.91 176.82 1tl4 h ASP 49 N 0.24 -0.84 -0.62 -0.10 5.19 -1.98 0.31 116.42 118.62 1tl4 h ASP 49 Ca 0.62 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 57.14 1tl4 h ASP 49 Cb 1.88 0.23 -0.06 0.00 0.18 0.00 0.00 39.33 41.56 1tl4 h ASP 49 CO -0.23 -0.56 0.31 0.74 -3.12 0.00 0.00 179.24 176.38 1tl4 h THR 50 N -0.90 0.91 0.82 0.35 2.02 -1.56 -0.44 112.91 114.10 1tl4 h THR 50 Ca -0.08 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1tl4 h THR 50 Cb 0.71 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1tl4 h THR 50 CO 0.11 0.10 -0.39 -0.07 0.37 0.00 0.00 175.52 175.64 1tl4 h LEU 51 N 0.57 -0.93 -0.99 2.58 3.38 -1.25 -3.10 115.31 115.56 1tl4 h LEU 51 Ca 0.29 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.39 1tl4 h LEU 51 Cb 0.24 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.10 1tl4 h LEU 51 CO -0.21 -0.62 -0.56 0.18 0.09 0.00 0.00 178.44 177.32 1tl4 n LEU 52 N -5.21 -0.99 -0.31 1.67 4.77 0.11 0.11 117.00 117.14 1tl4 n LEU 52 Ca -0.14 1.76 0.17 0.00 -0.03 0.00 0.00 56.01 57.77 1tl4 n LEU 52 Cb 0.43 -0.25 0.42 0.00 -2.33 0.00 0.00 43.42 41.69 1tl4 n LEU 52 CO 0.33 -1.46 1.21 0.00 -1.33 0.00 0.00 177.39 176.14 1tl4 h ALA 53 N 0.63 1.95 0.15 -1.18 0.00 -1.16 0.17 119.26 119.81 1tl4 h ALA 53 Ca 0.19 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 1tl4 h ALA 53 Cb 0.44 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tl4 h ALA 53 CO -0.94 -0.30 -0.96 1.15 0.00 0.00 0.00 179.25 178.19 1tl4 h THR 54 N 0.58 1.43 -0.65 0.00 2.02 -0.26 -3.35 112.91 112.68 1tl4 h THR 54 Ca 0.55 -2.54 -0.05 0.00 0.77 0.00 0.00 66.41 65.15 1tl4 h THR 54 Cb 1.11 3.12 -0.03 0.00 -1.74 0.00 0.00 68.15 70.61 1tl4 h THR 54 CO -0.30 0.73 0.22 -0.07 0.37 0.00 0.00 175.52 176.46 1tl4 h LEU 55 N -0.31 0.90 -2.00 2.58 3.38 0.55 0.41 115.31 120.81 1tl4 h LEU 55 Ca -0.18 -0.14 0.35 0.00 0.09 0.00 0.00 57.88 58.00 1tl4 h LEU 55 Cb 1.71 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 42.18 1tl4 h LEU 55 CO 0.15 0.83 0.88 0.11 0.09 0.00 0.00 178.44 180.50 1tl4 h LYS 56 N 0.94 0.00 0.00 1.13 6.56 -0.85 -1.64 116.57 122.71 1tl4 h LYS 56 Ca 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 1tl4 h LYS 56 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1tl4 h LYS 56 CO -0.01 0.00 0.00 0.87 -2.06 0.00 0.00 179.45 178.25 1tl4 h LYS 57 N 0.00 0.00 -0.46 3.15 1.57 -1.03 0.28 116.57 120.07 1tl4 h LYS 57 Ca 0.58 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.26 1tl4 h LYS 57 Cb 2.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.62 1tl4 h LYS 57 CO -0.01 0.00 -0.12 1.79 -0.57 0.00 0.00 179.45 180.54 1tl4 h THR 58 N 0.00 1.26 -3.07 -0.16 1.35 -1.46 -3.47 112.91 107.36 1tl4 h THR 58 Ca 0.00 -1.21 -0.42 0.00 -0.55 0.00 0.00 66.41 64.23 1tl4 h THR 58 Cb 0.15 1.03 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1tl4 h THR 58 CO 0.00 0.42 -0.54 0.61 -0.25 0.00 0.00 175.52 175.76 1tl4 n GLY 59 N -0.37 -0.50 1.36 5.82 0.00 0.98 -5.03 105.19 107.44 1tl4 n GLY 59 Ca 0.01 0.00 -0.10 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 -3.07 -0.16 -0.82 1.61 4.76 -1.26 -4.94 118.16 114.28 1tl4 n LYS 60 Ca -0.24 -0.81 -0.20 0.00 -2.87 0.00 0.00 58.31 54.19 1tl4 n LYS 60 Cb 0.69 -0.39 -0.06 0.00 -1.84 0.00 0.00 35.03 33.43 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 -2.37 2.64 -2.39 -0.18 -1.04 -1.26 -4.85 114.28 104.83 1tl4 n THR 61 Ca 0.06 -1.49 -0.36 0.00 -2.04 0.00 0.00 64.05 60.21 1tl4 n THR 61 Cb 0.20 -2.11 -0.03 0.00 -1.82 0.00 0.00 70.33 66.58 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 2.46 3.80 0.03 12.58 -7.23 -1.26 -3.86 120.40 126.93 1tl4 s VAL 62 Ca 0.48 -0.90 -0.21 0.00 -1.81 0.00 0.00 61.98 59.54 1tl4 s VAL 62 Cb 0.16 -4.77 -0.06 0.00 0.56 0.00 0.00 36.38 32.27 1tl4 s VAL 62 CO -0.03 -1.61 0.63 -0.44 -0.31 0.00 0.00 175.10 173.35 1tl4 s SER 63 N 5.75 7.06 -0.10 4.85 0.01 0.74 -4.93 113.70 127.08 1tl4 s SER 63 Ca 0.56 1.27 -0.27 0.00 1.31 0.00 0.00 55.95 58.81 1tl4 s SER 63 Cb -0.01 -2.39 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1tl4 s SER 63 CO -0.02 0.13 0.90 -0.47 0.41 0.00 0.00 173.24 174.19 1tl4 s TYR 64 N -0.41 3.51 0.52 2.43 5.04 -1.26 -0.54 117.35 126.64 1tl4 s TYR 64 Ca 0.32 1.44 0.02 0.00 -2.44 0.00 0.00 57.07 56.42 1tl4 s TYR 64 Cb -0.19 -3.06 0.00 0.00 0.35 0.00 0.00 41.96 39.06 1tl4 s TYR 64 CO 0.19 -0.15 0.11 -0.51 -1.34 0.00 0.00 175.55 173.85 1tl4 s LEU 65 N 1.72 2.40 0.00 6.97 2.01 0.39 -4.85 118.68 127.33 1tl4 s LEU 65 Ca 0.44 -1.54 0.00 0.00 0.01 0.00 0.00 54.13 53.03 1tl4 s LEU 65 Cb -0.18 -0.86 0.00 0.00 0.01 0.00 0.00 46.19 45.16 1tl4 s LEU 65 CO 0.18 -0.93 0.00 0.61 1.01 0.00 0.00 176.35 177.22 1tl4 n GLY 66 N -1.40 0.00 3.51 -3.19 0.00 -1.26 -3.49 105.19 99.36 1tl4 n GLY 66 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 4.40 0.00 0.99 2.96 -1.26 -0.63 118.68 125.14 1tl4 s LEU 67 Ca 0.00 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1tl4 s LEU 67 Cb 0.00 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1tl4 s LEU 67 CO 0.00 -0.22 0.11 -0.62 -1.32 0.00 0.00 176.35 174.31