#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 -0.42 0.04 3.17 0.04 -1.22 -4.86 135.00 131.75 1tl4 s PRO 2 Ca 0.00 0.47 0.08 0.00 0.04 0.00 0.00 61.00 61.59 1tl4 s PRO 2 Cb 0.00 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.87 1tl4 s PRO 2 CO 0.00 -3.29 -0.21 0.21 0.04 0.00 0.00 177.00 173.75 1tl4 s LYS 3 N -4.90 2.00 -0.27 4.56 2.20 0.12 -3.38 119.74 120.07 1tl4 s LYS 3 Ca 0.67 -1.01 -0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1tl4 s LYS 3 Cb -0.19 -2.12 0.09 0.00 -1.51 0.00 0.00 37.83 34.10 1tl4 s LYS 3 CO 0.59 0.53 0.07 -1.01 -0.36 0.00 0.00 175.35 175.18 1tl4 s HIS 4 N -0.87 1.52 -0.12 4.03 3.76 0.93 -2.64 115.29 121.90 1tl4 s HIS 4 Ca 0.13 -1.46 -0.12 0.00 -0.15 0.00 0.00 55.06 53.47 1tl4 s HIS 4 Cb -0.10 -1.48 -0.05 0.00 1.11 0.00 0.00 32.58 32.06 1tl4 s HIS 4 CO 0.04 -0.79 0.27 -2.00 -0.85 0.00 0.00 174.74 171.40 1tl4 s GLU 5 N 1.69 3.97 -0.08 1.40 -6.30 -1.26 -0.84 118.70 117.28 1tl4 s GLU 5 Ca 0.05 0.08 0.03 0.00 -2.50 0.00 0.00 54.97 52.63 1tl4 s GLU 5 Cb -0.17 -3.32 0.01 0.00 0.00 0.00 0.00 34.13 30.65 1tl4 s GLU 5 CO -0.19 0.48 -0.15 -0.06 0.02 0.00 0.00 175.26 175.35 1tl4 s PHE 6 N -0.26 1.79 0.24 5.30 0.40 0.36 -0.45 117.98 125.36 1tl4 s PHE 6 Ca 0.17 -0.71 -0.21 0.00 -0.60 0.00 0.00 56.93 55.58 1tl4 s PHE 6 Cb -0.13 -1.27 -0.09 0.00 0.51 0.00 0.00 43.02 42.04 1tl4 s PHE 6 CO 0.05 -0.34 0.78 0.45 0.70 0.00 0.00 175.22 176.87 1tl4 s SER 7 N 0.64 7.14 0.30 1.36 0.15 -0.11 -0.52 113.70 122.66 1tl4 s SER 7 Ca -0.14 1.53 0.03 0.00 0.70 0.00 0.00 55.95 58.07 1tl4 s SER 7 Cb -0.16 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1tl4 s SER 7 CO 0.04 0.02 0.18 -0.69 1.20 0.00 0.00 173.24 173.99 1tl4 s VAL 8 N -1.52 0.24 -0.66 4.45 1.01 0.06 -0.70 120.40 123.27 1tl4 s VAL 8 Ca 0.44 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.46 1tl4 s VAL 8 Cb -0.17 -2.50 0.35 0.00 0.00 0.00 0.00 36.38 34.05 1tl4 s VAL 8 CO 0.22 0.00 1.20 -0.67 0.00 0.00 0.00 175.10 175.85 1tl4 n ASP 9 N -0.99 5.25 -3.44 3.32 2.03 -1.25 -4.60 116.55 116.88 1tl4 n ASP 9 Ca 0.02 -3.70 -0.40 0.00 0.52 0.00 0.00 54.79 51.23 1tl4 n ASP 9 Cb 0.64 -0.69 -0.02 0.00 -0.72 0.00 0.00 41.12 40.33 1tl4 n ASP 9 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1tl4 n MET 10 N -0.26 3.38 0.00 -0.67 0.00 -1.26 -4.77 117.12 113.54 1tl4 n MET 10 Ca 0.36 -2.30 0.04 0.00 0.00 0.00 0.00 57.70 55.80 1tl4 n MET 10 Cb 0.40 -2.95 0.22 0.00 0.00 0.00 0.00 33.22 30.89 1tl4 n MET 10 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1tl4 n THR 11 N 4.10 0.00 -3.79 3.17 5.66 -1.26 -4.55 114.28 117.61 1tl4 n THR 11 Ca 0.69 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.60 1tl4 n THR 11 Cb 0.28 -0.13 -0.04 0.00 -1.55 0.00 0.00 70.33 68.89 1tl4 n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tl4 h GLY 13 N 2.27 2.13 1.01 0.00 0.00 -2.00 0.80 103.07 107.28 1tl4 h GLY 13 Ca -0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1tl4 h GLY 13 CO 0.40 -0.63 0.43 -1.33 0.00 0.00 0.00 176.54 175.41 1tl4 h GLY 14 N 0.17 1.13 0.93 4.60 0.00 -1.96 0.98 103.07 108.93 1tl4 h GLY 14 Ca 0.78 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 1tl4 h GLY 14 CO -0.69 0.48 0.01 0.00 0.00 0.00 0.00 176.54 176.34 1tl4 h ALA 16 N 0.88 0.60 0.23 0.00 0.00 -1.00 0.15 119.26 120.11 1tl4 h ALA 16 Ca 0.11 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1tl4 h ALA 16 Cb 0.46 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1tl4 h ALA 16 CO 0.02 -0.17 -0.45 1.49 0.00 0.00 0.00 179.25 180.14 1tl4 h GLU 17 N 0.41 -0.73 -0.40 0.00 4.22 -0.68 0.12 114.58 117.53 1tl4 h GLU 17 Ca 0.22 0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.78 1tl4 h GLU 17 Cb 0.18 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1tl4 h GLU 17 CO -0.19 -0.48 0.01 0.00 -2.18 0.00 0.00 179.01 176.16 1tl4 h ALA 18 N -0.39 0.37 -0.14 2.92 0.00 -0.46 0.17 119.26 121.74 1tl4 h ALA 18 Ca -0.01 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1tl4 h ALA 18 Cb 0.73 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1tl4 h ALA 18 CO -0.19 -0.38 -0.07 0.28 0.00 0.00 0.00 179.25 178.88 1tl4 h VAL 19 N 0.12 0.77 -0.16 0.00 2.07 -0.60 -0.46 116.25 117.98 1tl4 h VAL 19 Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.76 1tl4 h VAL 19 Cb 0.27 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1tl4 h VAL 19 CO -0.32 0.00 -0.12 -1.28 0.02 0.00 0.00 177.57 175.88 1tl4 h SER 20 N -0.06 -0.37 -0.40 0.57 0.87 0.46 0.42 113.55 115.04 1tl4 h SER 20 Ca 0.08 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1tl4 h SER 20 Cb 0.18 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.26 1tl4 h SER 20 CO -0.18 -0.15 -0.05 -0.09 -0.53 0.00 0.00 176.83 175.83 1tl4 h ARG 21 N -0.12 0.05 0.10 2.24 2.43 -0.40 0.45 114.38 119.14 1tl4 h ARG 21 Ca 0.10 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1tl4 h ARG 21 Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1tl4 h ARG 21 CO -0.24 0.03 -0.05 0.28 -1.51 0.00 0.00 179.97 178.49 1tl4 h VAL 22 N 0.05 0.99 -0.17 0.20 2.07 -0.41 -0.25 116.25 118.73 1tl4 h VAL 22 Ca 0.20 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1tl4 h VAL 22 Cb 0.29 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1tl4 h VAL 22 CO -0.37 0.08 -0.19 -0.07 0.02 0.00 0.00 177.57 177.04 1tl4 h LEU 23 N -0.29 0.29 -1.04 2.57 3.38 -0.68 -2.17 115.31 117.36 1tl4 h LEU 23 Ca -0.01 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1tl4 h LEU 23 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1tl4 h LEU 23 CO 0.02 0.49 -0.33 -1.13 0.09 0.00 0.00 178.44 177.58 1tl4 h ASN 24 N 0.27 0.26 -0.94 -0.43 -0.00 0.29 0.14 115.58 115.18 1tl4 h ASN 24 Ca 0.05 -0.09 0.17 0.00 -0.00 0.00 0.00 56.30 56.42 1tl4 h ASN 24 Cb 0.49 -0.07 -0.10 0.00 -0.00 0.00 0.00 38.32 38.64 1tl4 h ASN 24 CO 0.03 0.59 0.53 0.50 -0.00 0.00 0.00 177.43 179.08 1tl4 h LYS 25 N 0.23 0.69 0.12 6.67 3.11 -0.37 0.22 116.57 127.23 1tl4 h LYS 25 Ca 0.03 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1tl4 h LYS 25 Cb 0.70 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1tl4 h LYS 25 CO 0.05 0.45 -0.06 1.25 -2.81 0.00 0.00 179.45 178.34 1tl4 h LEU 26 N 0.71 -0.14 0.00 5.20 7.12 -1.26 -3.47 115.31 123.47 1tl4 h LEU 26 Ca 0.53 -0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1tl4 h LEU 26 Cb 0.78 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1tl4 h LEU 26 CO -0.37 0.20 0.00 0.61 -0.13 0.00 0.00 178.44 178.75 1tl4 n GLY 27 N -0.26 1.99 2.38 3.75 0.00 0.40 -4.79 105.19 108.66 1tl4 n GLY 27 Ca -0.09 -0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 3.00 2.93 -0.02 0.00 -1.26 -4.78 105.19 105.06 1tl4 n GLY 28 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 2.48 -0.08 -0.92 1.61 -7.23 -1.26 -4.77 120.40 110.23 1tl4 s VAL 29 Ca 0.47 0.20 -0.17 0.00 -1.81 0.00 0.00 61.98 60.66 1tl4 s VAL 29 Cb 0.16 -0.26 0.15 0.00 0.56 0.00 0.00 36.38 36.99 1tl4 s VAL 29 CO -0.02 0.08 1.06 -0.75 -0.31 0.00 0.00 175.10 175.16 1tl4 s LYS 30 N 1.32 3.63 -0.32 4.82 2.47 -0.29 -4.99 119.74 126.38 1tl4 s LYS 30 Ca -0.08 -1.96 -0.19 0.00 -1.56 0.00 0.00 55.97 52.18 1tl4 s LYS 30 Cb -0.12 -4.82 -0.01 0.00 -1.46 0.00 0.00 37.83 31.43 1tl4 s LYS 30 CO -0.06 -1.66 0.57 1.52 0.16 0.00 0.00 175.35 175.87 1tl4 s TYR 31 N 2.05 3.20 0.28 4.03 1.13 -1.26 -0.73 117.35 126.05 1tl4 s TYR 31 Ca 0.30 0.43 0.08 0.00 -1.41 0.00 0.00 57.07 56.48 1tl4 s TYR 31 Cb -0.06 -2.94 -0.04 0.00 -1.10 0.00 0.00 41.96 37.82 1tl4 s TYR 31 CO -0.09 -0.48 0.09 0.34 -2.51 0.00 0.00 175.55 172.90 1tl4 s ASP 32 N 1.68 4.89 -0.05 -0.18 -1.08 0.27 -4.94 116.67 117.26 1tl4 s ASP 32 Ca 0.22 -0.54 -0.02 0.00 -0.52 0.00 0.00 52.55 51.70 1tl4 s ASP 32 Cb -0.15 -1.00 0.03 0.00 -1.46 0.00 0.00 42.92 40.34 1tl4 s ASP 32 CO 0.12 -0.07 0.09 -0.63 0.52 0.00 0.00 175.17 175.20 1tl4 s ILE 33 N -2.28 -0.06 -0.14 4.11 1.01 -1.26 -0.47 121.20 122.11 1tl4 s ILE 33 Ca 0.33 0.21 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1tl4 s ILE 33 Cb -0.06 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1tl4 s ILE 33 CO 0.22 0.09 -0.11 -0.62 0.00 0.00 0.00 174.94 174.51 1tl4 s ASP 34 N 1.19 2.52 -0.09 3.58 -1.08 -0.19 -5.01 116.67 117.59 1tl4 s ASP 34 Ca -0.08 -0.43 -0.06 0.00 -0.52 0.00 0.00 52.55 51.46 1tl4 s ASP 34 Cb -0.12 -1.05 -0.04 0.00 -1.46 0.00 0.00 42.92 40.25 1tl4 s ASP 34 CO -0.05 -0.08 0.21 -0.07 0.52 0.00 0.00 175.17 175.70 1tl4 h LEU 35 N 8.10 -0.10 -1.32 -1.34 4.07 -1.86 0.13 115.31 122.99 1tl4 h LEU 35 Ca -0.35 -0.08 0.11 0.00 0.08 0.00 0.00 57.88 57.65 1tl4 h LEU 35 Cb 1.13 0.03 -0.06 0.00 1.08 0.00 0.00 40.66 42.84 1tl4 h LEU 35 CO 0.48 0.42 0.54 1.55 -1.08 0.00 0.00 178.44 180.35 1tl4 h PRO 36 N -1.02 0.71 -0.15 1.13 0.13 -1.97 0.22 132.00 131.05 1tl4 h PRO 36 Ca -0.01 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1tl4 h PRO 36 Cb 0.17 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1tl4 h PRO 36 CO 0.02 0.47 0.00 0.09 -0.23 0.00 0.00 178.00 178.35 1tl4 n ASN 37 N -4.52 2.21 -3.71 1.44 3.02 -1.26 -5.01 115.26 107.42 1tl4 n ASN 37 Ca 0.15 -1.76 -0.28 0.00 -0.03 0.00 0.00 54.58 52.65 1tl4 n ASN 37 Cb 0.37 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1tl4 n ASN 37 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1tl4 n LYS 38 N 0.69 -1.63 -3.76 3.52 2.85 0.79 -4.85 118.16 115.78 1tl4 n LYS 38 Ca 0.17 0.90 -0.12 0.00 -1.05 0.00 0.00 58.31 58.22 1tl4 n LYS 38 Cb 0.44 -2.13 -0.08 0.00 -0.65 0.00 0.00 35.03 32.61 1tl4 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1tl4 s LYS 39 N -4.30 0.78 -0.07 -1.58 1.02 0.37 -0.76 119.74 115.20 1tl4 s LYS 39 Ca 0.10 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1tl4 s LYS 39 Cb -0.01 0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1tl4 s LYS 39 CO 0.88 -0.24 -0.12 0.08 -0.92 0.00 0.00 175.35 175.03 1tl4 s VAL 40 N -2.37 1.11 -0.38 3.17 1.01 0.32 -1.02 120.40 122.24 1tl4 s VAL 40 Ca -0.06 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1tl4 s VAL 40 Cb -0.02 -1.02 0.07 0.00 0.00 0.00 0.00 36.38 35.42 1tl4 s VAL 40 CO -0.02 0.35 0.18 0.00 0.00 0.00 0.00 175.10 175.60 1tl4 s ILE 42 N 1.33 5.25 -0.12 0.00 1.09 -0.02 -0.57 121.20 128.16 1tl4 s ILE 42 Ca 0.02 0.56 0.01 0.00 -1.10 0.00 0.00 60.65 60.14 1tl4 s ILE 42 Cb -0.22 -3.66 -0.01 0.00 -1.06 0.00 0.00 42.46 37.51 1tl4 s ILE 42 CO 0.00 0.28 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.36 1tl4 s GLU 43 N 1.21 3.25 0.33 2.79 2.02 0.09 -0.05 118.70 128.34 1tl4 s GLU 43 Ca 0.16 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.27 1tl4 s GLU 43 Cb -0.14 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.61 1tl4 s GLU 43 CO 0.07 0.23 0.75 0.45 0.02 0.00 0.00 175.26 176.78 1tl4 n SER 44 N 3.46 -2.01 -3.45 -0.19 2.88 -1.22 -1.14 113.62 111.95 1tl4 n SER 44 Ca -0.18 -2.35 -0.33 0.00 -1.33 0.00 0.00 58.87 54.68 1tl4 n SER 44 Cb 0.53 3.34 -0.03 0.00 -0.75 0.00 0.00 64.21 67.30 1tl4 n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1tl4 n GLU 45 N -0.51 3.74 -3.55 -1.46 1.02 -1.26 -3.43 120.64 115.18 1tl4 n GLU 45 Ca -0.07 -4.71 -0.12 0.00 -0.02 0.00 0.00 57.16 52.25 1tl4 n GLU 45 Cb 0.54 -2.35 -0.02 0.00 -0.02 0.00 0.00 31.44 29.59 1tl4 n GLU 45 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1tl4 n HIS 46 N 0.44 -1.43 -1.29 -0.32 1.44 -1.26 -5.03 115.22 107.77 1tl4 n HIS 46 Ca 0.33 -1.91 -0.31 0.00 -2.01 0.00 0.00 57.72 53.82 1tl4 n HIS 46 Cb 0.36 0.52 0.10 0.00 0.12 0.00 0.00 29.99 31.08 1tl4 n HIS 46 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1tl4 s SER 47 N -2.81 4.39 0.41 4.39 0.15 -1.26 -4.95 113.70 114.02 1tl4 s SER 47 Ca 0.23 1.72 0.22 0.00 0.70 0.00 0.00 55.95 58.82 1tl4 s SER 47 Cb -0.01 -2.43 0.72 0.00 -1.71 0.00 0.00 66.02 62.58 1tl4 s SER 47 CO 0.16 -2.09 1.74 0.00 1.20 0.00 0.00 173.24 174.25 1tl4 h MET 48 N -1.17 0.00 0.57 5.44 -0.00 -1.99 -3.33 114.93 114.45 1tl4 h MET 48 Ca -0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.22 1tl4 h MET 48 Cb 1.24 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.85 1tl4 h MET 48 CO 0.53 0.27 -0.27 0.22 -0.00 0.00 0.00 176.91 177.65 1tl4 h ASP 49 N 0.00 -0.65 -0.69 -0.10 3.58 -1.99 0.21 116.42 116.79 1tl4 h ASP 49 Ca -0.00 0.02 0.15 0.00 0.42 0.00 0.00 57.03 57.61 1tl4 h ASP 49 Cb 0.89 0.17 -0.11 0.00 1.72 0.00 0.00 39.33 41.99 1tl4 h ASP 49 CO 0.04 -0.45 0.04 0.74 -2.88 0.00 0.00 179.24 176.72 1tl4 h THR 50 N -0.78 0.45 0.32 2.25 2.02 -1.98 -0.42 112.91 114.77 1tl4 h THR 50 Ca -0.08 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1tl4 h THR 50 Cb 0.59 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1tl4 h THR 50 CO 0.13 0.03 -0.15 -0.07 0.37 0.00 0.00 175.52 175.82 1tl4 h LEU 51 N 0.15 -0.36 -0.67 2.58 3.38 -1.58 -1.27 115.31 117.54 1tl4 h LEU 51 Ca 0.37 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.40 1tl4 h LEU 51 Cb 0.63 0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 1tl4 h LEU 51 CO -0.57 -0.21 -0.51 0.25 0.09 0.00 0.00 178.44 177.49 1tl4 h LEU 52 N -0.49 -1.78 -0.43 1.67 7.12 0.86 0.50 115.31 122.75 1tl4 h LEU 52 Ca -0.04 0.27 0.06 0.00 0.13 0.00 0.00 57.88 58.30 1tl4 h LEU 52 Cb 0.37 0.79 -0.05 0.00 -0.53 0.00 0.00 40.66 41.23 1tl4 h LEU 52 CO 0.07 -0.33 0.12 0.00 -0.13 0.00 0.00 178.44 178.18 1tl4 h ALA 53 N 0.44 0.49 0.11 1.25 0.00 -1.06 0.56 119.26 121.06 1tl4 h ALA 53 Ca 0.15 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1tl4 h ALA 53 Cb 0.54 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tl4 h ALA 53 CO -0.75 -0.28 -0.07 1.15 0.00 0.00 0.00 179.25 179.30 1tl4 h THR 54 N 0.27 0.84 -0.00 0.00 2.02 0.06 -3.26 112.91 112.83 1tl4 h THR 54 Ca 0.20 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.20 1tl4 h THR 54 Cb 0.22 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1tl4 h THR 54 CO -0.24 0.00 -0.82 -0.07 0.37 0.00 0.00 175.52 174.76 1tl4 h LEU 55 N -0.18 0.19 -1.54 2.58 3.38 0.59 0.06 115.31 120.38 1tl4 h LEU 55 Ca -0.01 -0.14 0.34 0.00 0.09 0.00 0.00 57.88 58.16 1tl4 h LEU 55 Cb 0.16 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1tl4 h LEU 55 CO 0.00 0.93 0.80 0.11 0.09 0.00 0.00 178.44 180.37 1tl4 h LYS 56 N 0.08 0.20 0.00 1.13 6.56 -0.97 -0.87 116.57 122.70 1tl4 h LYS 56 Ca -0.03 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1tl4 h LYS 56 Cb 1.43 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 33.05 1tl4 h LYS 56 CO 0.12 0.13 0.00 0.87 -2.06 0.00 0.00 179.45 178.51 1tl4 h LYS 57 N 0.20 0.00 -0.11 3.15 1.79 -1.01 0.13 116.57 120.72 1tl4 h LYS 57 Ca 0.67 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 59.09 1tl4 h LYS 57 Cb 2.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.72 1tl4 h LYS 57 CO -0.25 0.00 -0.15 1.79 -1.08 0.00 0.00 179.45 179.76 1tl4 h THR 58 N 0.00 1.17 -3.09 -0.16 1.35 -1.29 -3.46 112.91 107.42 1tl4 h THR 58 Ca 0.00 -0.74 -0.33 0.00 -0.55 0.00 0.00 66.41 64.79 1tl4 h THR 58 Cb 0.18 1.25 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 1tl4 h THR 58 CO 0.00 0.23 -0.41 0.61 -0.25 0.00 0.00 175.52 175.70 1tl4 n GLY 59 N -0.91 -0.19 0.76 5.82 0.00 0.46 -4.99 105.19 106.14 1tl4 n GLY 59 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.79 -0.02 -0.58 1.61 4.76 -1.26 -4.92 118.16 114.97 1tl4 n LYS 60 Ca -0.19 -0.44 -0.06 0.00 -2.87 0.00 0.00 58.31 54.74 1tl4 n LYS 60 Cb 0.63 -0.22 -0.09 0.00 -1.84 0.00 0.00 35.03 33.51 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 -2.14 1.77 -2.86 -0.18 -1.04 -1.26 -4.90 114.28 103.68 1tl4 n THR 61 Ca 0.03 -0.85 -0.41 0.00 -2.04 0.00 0.00 64.05 60.79 1tl4 n THR 61 Cb 0.11 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 66.84 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 1.64 4.92 -0.08 12.58 0.11 -1.26 -3.83 120.40 134.48 1tl4 s VAL 62 Ca 0.36 1.76 -0.13 0.00 -2.93 0.00 0.00 61.98 61.05 1tl4 s VAL 62 Cb 0.17 -4.19 0.03 0.00 -1.53 0.00 0.00 36.38 30.86 1tl4 s VAL 62 CO 0.00 0.14 0.31 -0.44 -3.33 0.00 0.00 175.10 171.78 1tl4 s SER 63 N 0.98 -0.27 0.17 3.54 0.01 0.12 -4.95 113.70 113.31 1tl4 s SER 63 Ca 0.44 0.40 -0.18 0.00 1.31 0.00 0.00 55.95 57.91 1tl4 s SER 63 Cb -0.19 0.51 -0.08 0.00 0.21 0.00 0.00 66.02 66.48 1tl4 s SER 63 CO 0.20 -0.25 0.65 -0.47 0.41 0.00 0.00 173.24 173.78 1tl4 s TYR 64 N -0.47 3.68 0.56 2.43 5.04 -1.26 -0.94 117.35 126.39 1tl4 s TYR 64 Ca -0.06 1.29 0.07 0.00 -2.44 0.00 0.00 57.07 55.93 1tl4 s TYR 64 Cb -0.04 -2.54 0.07 0.00 0.35 0.00 0.00 41.96 39.80 1tl4 s TYR 64 CO 0.02 0.42 0.54 1.28 -1.34 0.00 0.00 175.55 176.47 1tl4 n LEU 65 N 0.98 0.00 -4.57 6.97 4.32 0.41 -4.91 117.00 120.19 1tl4 n LEU 65 Ca -0.05 -2.72 -0.33 0.00 -0.02 0.00 0.00 56.01 52.89 1tl4 n LEU 65 Cb 0.51 -0.17 0.13 0.00 -1.62 0.00 0.00 43.42 42.27 1tl4 n LEU 65 CO 0.43 -0.63 0.40 0.61 -1.22 0.00 0.00 177.39 176.98 1tl4 n GLY 66 N -1.73 -0.92 3.77 -0.72 0.00 -1.26 -4.62 105.19 99.70 1tl4 n GLY 66 Ca 0.04 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.02 4.44 0.00 0.99 2.96 -1.26 -4.30 118.68 117.49 1tl4 s LEU 67 Ca 0.65 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1tl4 s LEU 67 Cb -0.25 -3.86 0.00 0.00 0.50 0.00 0.00 46.19 42.58 1tl4 s LEU 67 CO 0.59 -0.06 0.16 -0.62 -1.32 0.00 0.00 176.35 175.10