#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl5 n PRO 2 N 0.00 0.21 -3.35 0.03 -0.04 -0.65 -4.59 135.00 126.61 1tl5 n PRO 2 Ca 0.00 0.08 -0.39 0.00 -0.04 0.00 0.00 63.50 63.15 1tl5 n PRO 2 Cb 0.00 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.74 1tl5 n PRO 2 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1tl5 s LYS 3 N -3.11 4.15 -0.22 0.54 2.20 0.14 -1.10 119.74 122.34 1tl5 s LYS 3 Ca 0.08 0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 1tl5 s LYS 3 Cb 0.15 -3.56 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1tl5 s LYS 3 CO 0.69 -0.11 -0.09 -1.01 -0.36 0.00 0.00 175.35 174.46 1tl5 s HIS 4 N 1.52 2.64 0.08 4.03 3.76 0.48 -0.76 115.29 127.03 1tl5 s HIS 4 Ca 0.20 -1.83 -0.12 0.00 -0.15 0.00 0.00 55.06 53.16 1tl5 s HIS 4 Cb -0.15 -1.71 -0.06 0.00 1.11 0.00 0.00 32.58 31.77 1tl5 s HIS 4 CO 0.09 -0.79 0.44 -1.21 -0.85 0.00 0.00 174.74 172.42 1tl5 s GLU 5 N 1.32 3.85 -0.04 1.40 0.41 0.40 -0.66 118.70 125.38 1tl5 s GLU 5 Ca -0.04 0.31 -0.02 0.00 -0.41 0.00 0.00 54.97 54.81 1tl5 s GLU 5 Cb -0.18 -3.03 0.03 0.00 -1.78 0.00 0.00 34.13 29.17 1tl5 s GLU 5 CO -0.07 0.57 0.09 -0.06 -0.49 0.00 0.00 175.26 175.29 1tl5 s PHE 6 N -1.35 -0.07 -0.07 1.61 0.40 0.75 -0.42 117.98 118.83 1tl5 s PHE 6 Ca 0.32 0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 56.79 1tl5 s PHE 6 Cb -0.15 -0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.21 1tl5 s PHE 6 CO 0.17 -0.11 0.39 0.45 0.70 0.00 0.00 175.22 176.83 1tl5 s SER 7 N 0.90 6.69 0.27 1.36 0.15 -0.09 -0.65 113.70 122.32 1tl5 s SER 7 Ca -0.07 0.82 0.02 0.00 0.70 0.00 0.00 55.95 57.41 1tl5 s SER 7 Cb -0.10 -2.24 -0.05 0.00 -1.71 0.00 0.00 66.02 61.92 1tl5 s SER 7 CO -0.04 0.20 0.09 -0.69 1.20 0.00 0.00 173.24 174.01 1tl5 s VAL 8 N -0.34 0.66 -0.65 4.45 1.01 0.39 -0.45 120.40 125.47 1tl5 s VAL 8 Ca 0.23 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.19 1tl5 s VAL 8 Cb -0.15 -2.66 0.16 0.00 0.00 0.00 0.00 36.38 33.73 1tl5 s VAL 8 CO 0.10 0.00 0.46 -0.62 0.00 0.00 0.00 175.10 175.04 1tl5 s ASP 9 N -3.34 5.17 -1.09 3.32 2.15 -1.26 -4.73 116.67 116.89 1tl5 s ASP 9 Ca 0.38 -3.02 -0.22 0.00 0.43 0.00 0.00 52.55 50.12 1tl5 s ASP 9 Cb 0.08 -1.82 0.05 0.00 -0.30 0.00 0.00 42.92 40.93 1tl5 s ASP 9 CO 0.14 -0.32 1.54 -0.04 -0.17 0.00 0.00 175.17 176.32 1tl5 s MET 10 N -0.30 3.67 0.44 4.34 -1.94 -1.26 -4.84 119.30 119.40 1tl5 s MET 10 Ca 0.18 -1.34 0.24 0.00 -1.71 0.00 0.00 55.69 53.07 1tl5 s MET 10 Cb -0.19 -5.40 0.63 0.00 2.01 0.00 0.00 34.83 31.88 1tl5 s MET 10 CO -0.04 -2.26 1.71 1.15 -0.01 0.00 0.00 175.02 175.56 1tl5 h THR 11 N 6.48 0.27 -3.87 2.05 2.02 -1.95 -3.44 112.91 114.46 1tl5 h THR 11 Ca 0.26 -1.14 -0.14 0.00 0.77 0.00 0.00 66.41 66.17 1tl5 h THR 11 Cb 0.97 1.92 -0.18 0.00 -1.74 0.00 0.00 68.15 69.12 1tl5 h THR 11 CO 1.43 0.13 -0.58 0.00 0.37 0.00 0.00 175.52 176.88 1tl5 h GLY 13 N 3.86 1.98 1.93 0.00 0.00 -1.99 0.20 103.07 109.05 1tl5 h GLY 13 Ca -0.32 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1tl5 h GLY 13 CO 0.50 -0.52 0.03 -1.33 0.00 0.00 0.00 176.54 175.22 1tl5 h GLY 14 N 0.26 0.00 1.02 4.60 0.00 -1.97 0.21 103.07 107.20 1tl5 h GLY 14 Ca 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 48.04 1tl5 h GLY 14 CO -0.64 0.00 0.53 0.00 0.00 0.00 0.00 176.54 176.43 1tl5 h ALA 16 N 1.29 0.92 -0.42 0.00 0.00 -0.69 -0.40 119.26 119.97 1tl5 h ALA 16 Ca 0.32 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1tl5 h ALA 16 Cb -0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 1tl5 h ALA 16 CO -0.06 0.51 0.13 0.93 0.00 0.00 0.00 179.25 180.76 1tl5 h GLU 17 N 1.01 0.28 0.01 0.00 5.08 -1.16 0.16 114.58 119.95 1tl5 h GLU 17 Ca 0.24 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 1tl5 h GLU 17 Cb 0.16 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1tl5 h GLU 17 CO -0.03 0.18 -0.13 0.00 -1.00 0.00 0.00 179.01 178.04 1tl5 h ALA 18 N 1.28 -0.15 -0.10 3.43 0.00 0.07 0.17 119.26 123.96 1tl5 h ALA 18 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1tl5 h ALA 18 Cb 0.20 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1tl5 h ALA 18 CO -0.22 -0.62 0.01 0.28 0.00 0.00 0.00 179.25 178.70 1tl5 h VAL 19 N -0.22 0.94 -0.16 0.00 2.07 -0.96 -0.32 116.25 117.61 1tl5 h VAL 19 Ca 0.04 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1tl5 h VAL 19 Cb 0.27 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1tl5 h VAL 19 CO -0.12 0.01 -0.07 -1.28 0.02 0.00 0.00 177.57 176.13 1tl5 h SER 20 N 0.05 -0.23 -0.03 0.57 0.87 -0.33 -0.21 113.55 114.24 1tl5 h SER 20 Ca 0.05 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1tl5 h SER 20 Cb 0.05 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1tl5 h SER 20 CO -0.07 -0.09 0.01 0.03 -0.53 0.00 0.00 176.83 176.18 1tl5 h ARG 21 N -0.05 0.04 -0.66 2.24 3.08 -0.47 0.24 114.38 118.80 1tl5 h ARG 21 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1tl5 h ARG 21 Cb 0.17 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1tl5 h ARG 21 CO -0.19 0.15 0.43 -0.24 -1.07 0.00 0.00 179.97 179.04 1tl5 h VAL 22 N -0.08 1.17 -0.14 2.04 3.04 -0.89 0.55 116.25 121.95 1tl5 h VAL 22 Ca 0.01 -0.33 -0.05 0.00 -1.01 0.00 0.00 66.70 65.32 1tl5 h VAL 22 Cb 0.12 0.22 -0.00 0.00 -2.01 0.00 0.00 31.29 29.62 1tl5 h VAL 22 CO -0.00 0.17 -0.11 -0.07 -1.01 0.00 0.00 177.57 176.55 1tl5 h LEU 23 N 0.89 0.34 -0.71 3.16 -0.00 -0.89 -3.07 115.31 115.02 1tl5 h LEU 23 Ca 0.24 -0.45 0.16 0.00 -0.00 0.00 0.00 57.88 57.82 1tl5 h LEU 23 Cb -0.09 -0.09 -0.11 0.00 -0.00 0.00 0.00 40.66 40.36 1tl5 h LEU 23 CO -0.05 0.72 0.08 -1.13 -0.00 0.00 0.00 178.44 178.06 1tl5 h ASN 24 N -0.04 -0.16 -0.91 -0.43 -1.24 -0.34 0.13 115.58 112.58 1tl5 h ASN 24 Ca 0.03 0.16 0.23 0.00 0.71 0.00 0.00 56.30 57.43 1tl5 h ASN 24 Cb 0.61 0.26 -0.06 0.00 0.73 0.00 0.00 38.32 39.86 1tl5 h ASN 24 CO 0.03 -0.10 0.62 0.11 -1.29 0.00 0.00 177.43 176.80 1tl5 h LYS 25 N 0.18 0.25 -0.73 6.67 1.79 -0.80 0.38 116.57 124.31 1tl5 h LYS 25 Ca 0.39 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1tl5 h LYS 25 Cb 0.67 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.22 1tl5 h LYS 25 CO -0.56 0.17 0.47 1.25 -1.08 0.00 0.00 179.45 179.70 1tl5 h LEU 26 N 0.26 0.86 0.00 2.94 7.12 -0.67 -3.49 115.31 122.33 1tl5 h LEU 26 Ca 0.47 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.44 1tl5 h LEU 26 Cb 1.40 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1tl5 h LEU 26 CO -0.13 0.64 0.00 0.61 -0.13 0.00 0.00 178.44 179.43 1tl5 n GLY 27 N -1.26 -1.33 1.08 3.75 0.00 0.12 -4.95 105.19 102.60 1tl5 n GLY 27 Ca 0.07 0.48 0.03 0.00 0.00 0.00 0.00 46.02 46.59 1tl5 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tl5 n GLY 28 N 0.00 0.99 3.71 -0.02 0.00 -1.26 -4.84 105.19 103.77 1tl5 n GLY 28 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 1tl5 n GLY 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1tl5 n VAL 29 N 0.24 2.83 -3.11 1.61 3.14 -1.26 -4.98 118.33 116.79 1tl5 n VAL 29 Ca 0.04 -0.50 -0.45 0.00 -2.96 0.00 0.00 64.34 60.48 1tl5 n VAL 29 Cb 0.96 -1.61 -0.05 0.00 -1.06 0.00 0.00 33.84 32.09 1tl5 n VAL 29 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1tl5 s LYS 30 N -2.37 3.05 -0.21 1.45 2.36 -1.26 -4.82 119.74 117.93 1tl5 s LYS 30 Ca 0.63 -1.30 -0.26 0.00 -2.55 0.00 0.00 55.97 52.48 1tl5 s LYS 30 Cb -0.48 -4.26 -0.00 0.00 -1.05 0.00 0.00 37.83 32.03 1tl5 s LYS 30 CO 0.56 -1.54 0.91 1.52 1.55 0.00 0.00 175.35 178.35 1tl5 s TYR 31 N 2.71 3.36 0.23 4.03 1.13 -1.26 -0.78 117.35 126.77 1tl5 s TYR 31 Ca 0.12 1.30 0.06 0.00 -1.41 0.00 0.00 57.07 57.13 1tl5 s TYR 31 Cb -0.24 -3.12 -0.03 0.00 -1.10 0.00 0.00 41.96 37.47 1tl5 s TYR 31 CO 0.06 -0.37 0.28 0.34 -2.51 0.00 0.00 175.55 173.35 1tl5 s ASP 32 N 1.24 5.96 -0.28 -0.18 -1.08 0.44 -4.96 116.67 117.80 1tl5 s ASP 32 Ca 0.39 -0.06 -0.01 0.00 -0.52 0.00 0.00 52.55 52.35 1tl5 s ASP 32 Cb -0.16 -1.66 0.13 0.00 -1.46 0.00 0.00 42.92 39.78 1tl5 s ASP 32 CO 0.09 -0.04 0.31 -0.63 0.52 0.00 0.00 175.17 175.42 1tl5 s ILE 33 N -2.01 -0.44 -0.63 4.11 1.01 -1.26 -0.56 121.20 121.42 1tl5 s ILE 33 Ca 0.33 -0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.37 1tl5 s ILE 33 Cb -0.09 -0.94 0.06 0.00 0.01 0.00 0.00 42.46 41.50 1tl5 s ILE 33 CO 0.27 -0.39 0.97 -0.62 0.00 0.00 0.00 174.94 175.17 1tl5 s ASP 34 N 2.40 6.22 -0.01 3.58 -1.08 0.59 -4.93 116.67 123.43 1tl5 s ASP 34 Ca 0.09 -0.79 -0.21 0.00 -0.52 0.00 0.00 52.55 51.12 1tl5 s ASP 34 Cb -0.14 -2.43 -0.23 0.00 -1.46 0.00 0.00 42.92 38.66 1tl5 s ASP 34 CO -0.29 -1.40 1.09 0.25 0.52 0.00 0.00 175.17 175.34 1tl5 h LEU 35 N 11.32 0.41 -0.75 -1.34 5.85 -1.96 0.43 115.31 129.27 1tl5 h LEU 35 Ca -0.28 -0.75 0.03 0.00 0.84 0.00 0.00 57.88 57.72 1tl5 h LEU 35 Cb 1.07 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1tl5 h LEU 35 CO 1.16 1.11 0.48 1.55 -0.34 0.00 0.00 178.44 182.40 1tl5 h PRO 36 N -0.24 0.92 0.00 5.25 0.13 -1.94 -2.82 132.00 133.29 1tl5 h PRO 36 Ca -0.05 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1tl5 h PRO 36 Cb 1.17 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1tl5 h PRO 36 CO 0.09 0.61 -0.65 0.09 -0.23 0.00 0.00 178.00 177.91 1tl5 n ASN 37 N -4.62 0.66 -2.92 1.44 3.02 -1.25 -4.98 115.26 106.61 1tl5 n ASN 37 Ca 0.08 0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.55 1tl5 n ASN 37 Cb 0.08 0.23 0.07 0.00 -0.61 0.00 0.00 39.78 39.55 1tl5 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1tl5 n LYS 38 N -2.01 -4.40 -4.96 3.52 4.01 -0.05 -4.85 118.16 109.42 1tl5 n LYS 38 Ca 0.03 0.68 -0.32 0.00 -0.51 0.00 0.00 58.31 58.19 1tl5 n LYS 38 Cb 0.42 -5.12 -0.14 0.00 -0.51 0.00 0.00 35.03 29.68 1tl5 n LYS 38 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1tl5 s LYS 39 N -4.84 2.66 -0.12 1.97 1.02 -0.10 -0.46 119.74 119.87 1tl5 s LYS 39 Ca 0.09 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 1tl5 s LYS 39 Cb -0.01 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 1tl5 s LYS 39 CO 0.58 0.50 -0.01 0.08 -0.92 0.00 0.00 175.35 175.58 1tl5 s VAL 40 N -0.42 4.14 -0.36 3.17 1.01 0.17 -0.30 120.40 127.82 1tl5 s VAL 40 Ca 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1tl5 s VAL 40 Cb -0.12 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.62 1tl5 s VAL 40 CO 0.02 0.55 0.21 0.00 0.00 0.00 0.00 175.10 175.88 1tl5 s ILE 42 N 1.06 4.47 -0.40 0.00 1.01 0.17 -0.42 121.20 127.09 1tl5 s ILE 42 Ca 0.18 1.54 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1tl5 s ILE 42 Cb -0.23 -4.05 0.14 0.00 0.01 0.00 0.00 42.46 38.34 1tl5 s ILE 42 CO -0.01 0.48 0.23 -0.70 0.00 0.00 0.00 174.94 174.94 1tl5 s GLU 43 N -1.27 0.94 -0.01 2.79 -6.30 0.04 -0.39 118.70 114.50 1tl5 s GLU 43 Ca 0.35 -1.70 -0.26 0.00 -2.50 0.00 0.00 54.97 50.87 1tl5 s GLU 43 Cb -0.21 -1.83 0.06 0.00 0.00 0.00 0.00 34.13 32.14 1tl5 s GLU 43 CO 0.24 -1.19 0.57 -1.12 0.02 0.00 0.00 175.26 173.78 1tl5 s SER 44 N 0.67 -0.51 -0.90 -1.70 0.01 -0.26 -4.11 113.70 106.90 1tl5 s SER 44 Ca 0.18 0.44 -0.18 0.00 1.31 0.00 0.00 55.95 57.71 1tl5 s SER 44 Cb -0.23 0.48 -0.11 0.00 0.21 0.00 0.00 66.02 66.37 1tl5 s SER 44 CO -0.00 -0.61 2.02 -1.84 0.41 0.00 0.00 173.24 173.21 1tl5 n GLU 45 N 0.83 1.82 -4.22 12.44 0.28 -1.26 -4.50 120.64 126.02 1tl5 n GLU 45 Ca -0.19 -1.88 -0.18 0.00 -0.16 0.00 0.00 57.16 54.74 1tl5 n GLU 45 Cb 0.58 -2.88 -0.13 0.00 1.43 0.00 0.00 31.44 30.44 1tl5 n GLU 45 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1tl5 s HIS 46 N 4.44 1.06 0.15 -1.84 3.76 -1.26 -5.12 115.29 116.47 1tl5 s HIS 46 Ca 0.53 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.73 1tl5 s HIS 46 Cb 0.14 -0.62 -0.09 0.00 1.11 0.00 0.00 32.58 33.11 1tl5 s HIS 46 CO 0.06 0.02 1.53 0.45 -0.85 0.00 0.00 174.74 175.95 1tl5 s SER 47 N -1.35 6.64 0.25 1.40 0.15 -1.26 -4.90 113.70 114.62 1tl5 s SER 47 Ca -0.02 2.55 -0.14 0.00 0.70 0.00 0.00 55.95 59.04 1tl5 s SER 47 Cb -0.09 -2.59 0.32 0.00 -1.71 0.00 0.00 66.02 61.95 1tl5 s SER 47 CO 0.01 -0.79 1.56 -0.03 1.20 0.00 0.00 173.24 175.19 1tl5 h MET 48 N 6.88 -0.01 -0.59 5.44 4.05 -1.95 -0.18 114.93 128.57 1tl5 h MET 48 Ca -0.42 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.06 1tl5 h MET 48 Cb 1.20 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.91 1tl5 h MET 48 CO 0.90 -0.01 -0.56 0.22 0.23 0.00 0.00 176.91 177.70 1tl5 h ASP 49 N -0.01 -1.93 -0.34 1.39 3.58 -1.99 0.16 116.42 117.28 1tl5 h ASP 49 Ca 0.39 0.27 -0.14 0.00 0.42 0.00 0.00 57.03 57.96 1tl5 h ASP 49 Cb 0.64 0.81 -0.01 0.00 1.72 0.00 0.00 39.33 42.50 1tl5 h ASP 49 CO -0.97 -0.34 -0.32 0.74 -2.88 0.00 0.00 179.24 175.46 1tl5 h THR 50 N -0.26 1.28 0.19 2.25 2.02 -1.48 0.27 112.91 117.17 1tl5 h THR 50 Ca 0.10 -1.49 0.01 0.00 0.77 0.00 0.00 66.41 65.80 1tl5 h THR 50 Cb 0.52 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1tl5 h THR 50 CO -0.70 0.50 -0.28 -0.07 0.37 0.00 0.00 175.52 175.34 1tl5 h LEU 51 N 0.73 -0.78 -0.40 2.58 3.38 -0.94 0.25 115.31 120.12 1tl5 h LEU 51 Ca 0.08 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.21 1tl5 h LEU 51 Cb 0.89 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1tl5 h LEU 51 CO 0.08 -0.38 -0.32 -0.07 0.09 0.00 0.00 178.44 177.84 1tl5 h LEU 52 N -0.54 -1.06 -0.95 1.67 3.38 0.15 0.13 115.31 118.10 1tl5 h LEU 52 Ca 0.01 0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1tl5 h LEU 52 Cb 0.53 0.50 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1tl5 h LEU 52 CO -0.12 -0.32 0.62 0.00 0.09 0.00 0.00 178.44 178.72 1tl5 h ALA 53 N 0.78 1.24 0.50 1.53 0.00 -0.34 0.91 119.26 123.89 1tl5 h ALA 53 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1tl5 h ALA 53 Cb 0.53 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1tl5 h ALA 53 CO -0.54 0.51 -0.27 1.15 0.00 0.00 0.00 179.25 180.10 1tl5 h THR 54 N 1.21 0.00 -0.28 0.00 2.02 -0.07 -3.35 112.91 112.44 1tl5 h THR 54 Ca 0.37 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.47 1tl5 h THR 54 Cb -0.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 1tl5 h THR 54 CO -0.11 0.00 -0.18 0.17 0.37 0.00 0.00 175.52 175.77 1tl5 h LEU 55 N -0.71 0.50 -0.59 2.58 8.10 -0.41 -2.69 115.31 122.08 1tl5 h LEU 55 Ca -0.07 -0.15 0.18 0.00 0.11 0.00 0.00 57.88 57.95 1tl5 h LEU 55 Cb 0.56 -0.13 -0.11 0.00 -0.44 0.00 0.00 40.66 40.54 1tl5 h LEU 55 CO 0.09 0.70 0.06 0.29 -4.11 0.00 0.00 178.44 175.46 1tl5 n LYS 56 N -4.16 -0.05 0.18 0.17 5.02 0.28 -0.90 118.16 118.70 1tl5 n LYS 56 Ca 0.00 0.88 0.11 0.00 -2.02 0.00 0.00 58.31 57.28 1tl5 n LYS 56 Cb 0.36 -1.42 0.58 0.00 -0.02 0.00 0.00 35.03 34.53 1tl5 n LYS 56 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1tl5 h LYS 57 N 0.00 0.00 0.00 1.97 1.57 -1.66 0.58 116.57 119.04 1tl5 h LYS 57 Ca 0.38 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1tl5 h LYS 57 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1tl5 h LYS 57 CO -0.54 0.00 -0.16 1.79 -0.57 0.00 0.00 179.45 179.97 1tl5 h THR 58 N 0.00 1.02 -5.33 -0.16 1.35 -1.27 -3.47 112.91 105.05 1tl5 h THR 58 Ca 0.00 -0.56 -0.24 0.00 -0.55 0.00 0.00 66.41 65.06 1tl5 h THR 58 Cb 0.16 1.31 0.19 0.00 -1.73 0.00 0.00 68.15 68.08 1tl5 h THR 58 CO 0.00 0.16 -0.80 0.61 -0.25 0.00 0.00 175.52 175.23 1tl5 n GLY 59 N -1.01 -0.97 3.24 5.82 0.00 0.20 -5.05 105.19 107.42 1tl5 n GLY 59 Ca -0.02 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.35 1tl5 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tl5 s LYS 60 N -4.42 1.30 0.00 1.61 -0.14 -1.26 -5.05 119.74 111.78 1tl5 s LYS 60 Ca 0.39 -1.70 -0.02 0.00 -1.36 0.00 0.00 55.97 53.28 1tl5 s LYS 60 Cb -0.05 0.13 -0.09 0.00 -1.68 0.00 0.00 37.83 36.14 1tl5 s LYS 60 CO 0.70 -0.39 2.00 2.41 -0.76 0.00 0.00 175.35 179.31 1tl5 n THR 61 N -0.35 1.73 -2.56 2.17 -1.04 -1.26 -4.80 114.28 108.17 1tl5 n THR 61 Ca 0.02 -0.67 -0.41 0.00 -2.04 0.00 0.00 64.05 60.94 1tl5 n THR 61 Cb 0.66 -1.58 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 1tl5 n THR 61 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1tl5 s VAL 62 N 1.03 3.95 0.37 12.58 0.11 -1.26 -4.08 120.40 133.09 1tl5 s VAL 62 Ca 0.21 -0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 58.18 1tl5 s VAL 62 Cb 0.10 -5.08 -0.08 0.00 -1.53 0.00 0.00 36.38 29.79 1tl5 s VAL 62 CO 0.00 -1.95 0.78 -0.44 -3.33 0.00 0.00 175.10 170.16 1tl5 s SER 63 N 4.86 6.69 -0.21 3.54 0.01 0.40 -4.93 113.70 124.08 1tl5 s SER 63 Ca 0.47 1.28 -0.08 0.00 1.31 0.00 0.00 55.95 58.94 1tl5 s SER 63 Cb 0.01 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 1tl5 s SER 63 CO -0.07 -0.31 0.09 -0.47 0.41 0.00 0.00 173.24 172.89 1tl5 s TYR 64 N -2.17 3.23 -0.45 2.43 5.04 -1.26 -0.92 117.35 123.26 1tl5 s TYR 64 Ca 0.54 0.02 0.07 0.00 -2.44 0.00 0.00 57.07 55.26 1tl5 s TYR 64 Cb -0.10 -2.15 0.18 0.00 0.35 0.00 0.00 41.96 40.24 1tl5 s TYR 64 CO 0.23 0.04 0.61 -0.48 -1.34 0.00 0.00 175.55 174.61 1tl5 s LEU 65 N 0.75 -1.06 0.00 6.97 -0.00 0.44 -4.92 118.68 120.86 1tl5 s LEU 65 Ca 0.04 -1.46 0.00 0.00 -0.00 0.00 0.00 54.13 52.72 1tl5 s LEU 65 Cb -0.13 1.55 0.00 0.00 -0.00 0.00 0.00 46.19 47.61 1tl5 s LEU 65 CO 0.02 -0.14 0.00 0.61 -0.00 0.00 0.00 176.35 176.84 1tl5 n GLY 66 N 3.68 3.36 3.25 -3.48 0.00 -1.23 -4.47 105.19 106.30 1tl5 n GLY 66 Ca 0.15 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1tl5 n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1tl5 s LEU 67 N 0.00 2.64 0.00 0.99 2.96 -1.26 -0.45 118.68 123.56 1tl5 s LEU 67 Ca 0.00 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 1tl5 s LEU 67 Cb 0.00 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1tl5 s LEU 67 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.35 176.24