#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 2.08 -3.71 0.03 -0.04 -1.26 -3.64 135.00 128.46 1tl5 n PRO 2 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1tl5 n PRO 2 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 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 0.00 3.62 -0.05 0.54 2.20 0.15 -3.08 119.74 123.12 1tl5 s LYS 3 Ca 0.00 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 55.52 1tl5 s LYS 3 Cb 0.00 -2.97 0.03 0.00 -1.51 0.00 0.00 37.83 33.38 1tl5 s LYS 3 CO 0.00 0.56 0.11 -3.38 -0.36 0.00 0.00 175.35 172.28 1tl5 s HIS 4 N -1.48 -0.11 -0.02 4.03 -3.43 0.36 -1.47 115.29 113.18 1tl5 s HIS 4 Ca 0.35 0.36 -0.02 0.00 -0.80 0.00 0.00 55.06 54.95 1tl5 s HIS 4 Cb -0.13 -0.10 -0.04 0.00 -1.43 0.00 0.00 32.58 30.89 1tl5 s HIS 4 CO 0.21 -0.13 0.12 -1.21 -2.00 0.00 0.00 174.74 171.74 1tl5 s GLU 5 N 0.94 3.24 -0.07 -0.38 0.41 0.35 -0.93 118.70 122.26 1tl5 s GLU 5 Ca -0.07 -0.39 -0.03 0.00 -0.41 0.00 0.00 54.97 54.07 1tl5 s GLU 5 Cb -0.10 -2.98 0.04 0.00 -1.78 0.00 0.00 34.13 29.31 1tl5 s GLU 5 CO -0.04 0.67 0.15 -0.06 -0.49 0.00 0.00 175.26 175.49 1tl5 s PHE 6 N -1.22 -0.17 0.02 1.61 0.40 0.88 -0.42 117.98 119.07 1tl5 s PHE 6 Ca 0.24 0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 56.96 1tl5 s PHE 6 Cb -0.12 -0.17 -0.06 0.00 0.51 0.00 0.00 43.02 43.18 1tl5 s PHE 6 CO 0.15 -0.21 0.42 0.45 0.70 0.00 0.00 175.22 176.72 1tl5 s SER 7 N 1.69 6.81 0.32 1.36 0.15 -0.01 -0.61 113.70 123.41 1tl5 s SER 7 Ca -0.04 0.97 0.04 0.00 0.70 0.00 0.00 55.95 57.63 1tl5 s SER 7 Cb -0.12 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 1tl5 s SER 7 CO -0.06 0.30 0.17 -0.69 1.20 0.00 0.00 173.24 174.17 1tl5 s VAL 8 N -1.12 0.30 0.11 4.45 1.01 0.34 -0.50 120.40 124.99 1tl5 s VAL 8 Ca 0.25 -2.00 0.07 0.00 0.00 0.00 0.00 61.98 60.30 1tl5 s VAL 8 Cb -0.17 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1tl5 s VAL 8 CO 0.14 0.00 -0.16 -0.62 0.00 0.00 0.00 175.10 174.46 1tl5 s ASP 9 N -3.40 2.16 -0.24 3.32 2.15 -1.26 -4.72 116.67 114.68 1tl5 s ASP 9 Ca 0.35 -0.74 -0.02 0.00 0.43 0.00 0.00 52.55 52.56 1tl5 s ASP 9 Cb 0.04 -0.10 0.12 0.00 -0.30 0.00 0.00 42.92 42.69 1tl5 s ASP 9 CO 0.19 -0.06 0.31 -0.04 -0.17 0.00 0.00 175.17 175.39 1tl5 s MET 10 N -2.29 0.29 0.22 4.34 -1.94 -1.26 -4.86 119.30 113.81 1tl5 s MET 10 Ca 0.07 0.24 0.12 0.00 -1.71 0.00 0.00 55.69 54.40 1tl5 s MET 10 Cb -0.07 -0.77 -0.00 0.00 2.01 0.00 0.00 34.83 36.00 1tl5 s MET 10 CO 0.04 -0.76 1.40 1.79 -0.01 0.00 0.00 175.02 177.47 1tl5 h THR 11 N 6.24 1.21 -3.68 2.05 1.35 -1.97 -3.47 112.91 114.66 1tl5 h THR 11 Ca -0.16 -2.65 -0.11 0.00 -0.55 0.00 0.00 66.41 62.93 1tl5 h THR 11 Cb 1.13 2.56 -0.17 0.00 -1.73 0.00 0.00 68.15 69.94 1tl5 h THR 11 CO 0.29 0.68 -0.44 0.00 -0.25 0.00 0.00 175.52 175.80 1tl5 h GLY 13 N 3.48 1.68 1.48 0.00 0.00 -1.99 0.20 103.07 107.92 1tl5 h GLY 13 Ca -0.32 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 46.82 1tl5 h GLY 13 CO 0.50 -0.27 0.20 -1.33 0.00 0.00 0.00 176.54 175.64 1tl5 h GLY 14 N 0.44 0.00 2.00 4.60 0.00 -1.99 0.16 103.07 108.27 1tl5 h GLY 14 Ca 0.66 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.95 1tl5 h GLY 14 CO -0.44 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 175.92 1tl5 h ALA 16 N 1.82 -0.49 -0.90 0.00 0.00 -0.78 -3.23 119.26 115.67 1tl5 h ALA 16 Ca -0.00 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 54.97 1tl5 h ALA 16 Cb 0.37 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 1tl5 h ALA 16 CO 0.02 -0.58 0.29 0.93 0.00 0.00 0.00 179.25 179.91 1tl5 h GLU 17 N -0.88 0.21 -0.63 0.00 4.39 -1.26 0.30 114.58 116.72 1tl5 h GLU 17 Ca -0.05 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.77 1tl5 h GLU 17 Cb 0.54 -0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.03 1tl5 h GLU 17 CO 0.08 0.14 -0.05 0.00 -1.16 0.00 0.00 179.01 178.02 1tl5 h ALA 18 N 1.80 0.55 0.37 3.43 0.00 -1.02 0.96 119.26 125.35 1tl5 h ALA 18 Ca 0.59 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.69 1tl5 h ALA 18 Cb 1.22 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1tl5 h ALA 18 CO -0.66 -0.41 -0.18 0.28 0.00 0.00 0.00 179.25 178.28 1tl5 h VAL 19 N 0.07 0.30 -0.93 0.00 2.07 -0.57 -3.20 116.25 113.98 1tl5 h VAL 19 Ca 0.32 -0.69 0.20 0.00 0.82 0.00 0.00 66.70 67.35 1tl5 h VAL 19 Cb 0.52 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 1tl5 h VAL 19 CO -0.58 0.07 0.50 0.28 0.02 0.00 0.00 177.57 177.86 1tl5 h SER 20 N -1.04 0.57 -0.01 0.57 0.02 -0.42 -0.28 113.55 112.96 1tl5 h SER 20 Ca -0.05 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1tl5 h SER 20 Cb 0.50 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1tl5 h SER 20 CO 0.08 0.15 -0.01 0.03 -1.14 0.00 0.00 176.83 175.95 1tl5 h ARG 21 N 0.59 0.03 -0.58 3.45 3.08 -0.94 0.12 114.38 120.13 1tl5 h ARG 21 Ca 0.56 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.54 1tl5 h ARG 21 Cb 0.95 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 1tl5 h ARG 21 CO -0.44 0.44 0.12 -0.24 -1.07 0.00 0.00 179.97 178.78 1tl5 h VAL 22 N -0.38 1.24 0.00 2.04 3.04 -1.39 0.11 116.25 120.91 1tl5 h VAL 22 Ca 0.00 -0.90 -0.00 0.00 -1.01 0.00 0.00 66.70 64.79 1tl5 h VAL 22 Cb 0.43 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1tl5 h VAL 22 CO 0.00 0.33 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.82 1tl5 h LEU 23 N 0.87 -0.01 -0.60 3.16 -0.00 -1.06 -2.45 115.31 115.23 1tl5 h LEU 23 Ca 0.18 -0.11 0.12 0.00 -0.00 0.00 0.00 57.88 58.08 1tl5 h LEU 23 Cb 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 40.92 1tl5 h LEU 23 CO 0.00 0.10 0.09 -1.13 -0.00 0.00 0.00 178.44 177.51 1tl5 h ASN 24 N -0.11 -0.08 -0.91 -0.43 -1.24 -0.23 0.54 115.58 113.11 1tl5 h ASN 24 Ca -0.00 0.12 0.21 0.00 0.71 0.00 0.00 56.30 57.35 1tl5 h ASN 24 Cb 0.11 0.19 -0.06 0.00 0.73 0.00 0.00 38.32 39.28 1tl5 h ASN 24 CO 0.00 -0.03 0.60 0.11 -1.29 0.00 0.00 177.43 176.82 1tl5 h LYS 25 N 0.21 0.34 -0.90 6.67 1.79 -0.59 0.41 116.57 124.51 1tl5 h LYS 25 Ca 0.32 -0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.91 1tl5 h LYS 25 Cb 0.49 -0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.97 1tl5 h LYS 25 CO -0.44 0.23 0.50 1.25 -1.08 0.00 0.00 179.45 179.91 1tl5 h LEU 26 N 0.36 0.65 0.00 2.94 7.12 -0.40 -3.48 115.31 122.50 1tl5 h LEU 26 Ca 0.47 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.56 1tl5 h LEU 26 Cb 1.25 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1tl5 h LEU 26 CO -0.16 0.29 0.00 0.61 -0.13 0.00 0.00 178.44 179.05 1tl5 n GLY 27 N -1.33 -1.71 2.36 3.75 0.00 0.14 -4.97 105.19 103.42 1tl5 n GLY 27 Ca 0.18 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.83 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 1.60 3.77 -0.02 0.00 -1.26 -4.91 105.19 104.38 1tl5 n GLY 28 Ca 0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1tl5 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tl5 s VAL 29 N -1.48 2.44 -0.46 1.61 0.11 -1.26 -5.00 120.40 116.36 1tl5 s VAL 29 Ca 0.19 0.42 -0.21 0.00 -2.93 0.00 0.00 61.98 59.46 1tl5 s VAL 29 Cb 0.33 -3.27 0.03 0.00 -1.53 0.00 0.00 36.38 31.95 1tl5 s VAL 29 CO -0.08 0.09 0.66 -0.75 -3.33 0.00 0.00 175.10 171.69 1tl5 s LYS 30 N -1.58 3.25 0.21 1.54 2.36 -1.26 -4.86 119.74 119.40 1tl5 s LYS 30 Ca 0.53 -0.46 0.07 0.00 -2.55 0.00 0.00 55.97 53.56 1tl5 s LYS 30 Cb -0.43 -3.98 -0.04 0.00 -1.05 0.00 0.00 37.83 32.33 1tl5 s LYS 30 CO 0.55 -1.08 0.08 1.52 1.55 0.00 0.00 175.35 177.97 1tl5 s TYR 31 N 2.86 2.96 -0.06 4.03 -0.85 -1.26 -1.45 117.35 123.59 1tl5 s TYR 31 Ca 0.22 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.65 1tl5 s TYR 31 Cb -0.15 -1.38 0.02 0.00 0.38 0.00 0.00 41.96 40.83 1tl5 s TYR 31 CO 0.18 0.54 -0.03 -0.51 -1.52 0.00 0.00 175.55 174.21 1tl5 s ASP 32 N -3.36 1.18 -0.31 -0.18 1.01 0.68 -4.99 116.67 110.70 1tl5 s ASP 32 Ca 0.30 -0.12 -0.00 0.00 0.71 0.00 0.00 52.55 53.44 1tl5 s ASP 32 Cb -0.09 -0.46 0.07 0.00 1.01 0.00 0.00 42.92 43.45 1tl5 s ASP 32 CO 0.22 -0.10 0.01 -0.63 0.21 0.00 0.00 175.17 174.88 1tl5 s ILE 33 N 1.27 2.77 -0.43 0.77 1.09 -1.26 -0.44 121.20 124.97 1tl5 s ILE 33 Ca -0.05 -1.64 -0.29 0.00 -1.10 0.00 0.00 60.65 57.57 1tl5 s ILE 33 Cb -0.14 -2.69 0.02 0.00 -1.06 0.00 0.00 42.46 38.59 1tl5 s ILE 33 CO -0.02 -0.23 1.23 -0.62 -0.10 0.00 0.00 174.94 175.21 1tl5 s ASP 34 N 1.26 6.57 -0.09 3.58 -1.08 0.23 -4.93 116.67 122.21 1tl5 s ASP 34 Ca -0.02 0.68 -0.27 0.00 -0.52 0.00 0.00 52.55 52.42 1tl5 s ASP 34 Cb -0.20 -2.55 -0.24 0.00 -1.46 0.00 0.00 42.92 38.47 1tl5 s ASP 34 CO -0.03 -1.27 0.95 0.25 0.52 0.00 0.00 175.17 175.59 1tl5 h LEU 35 N 11.42 0.09 -0.57 -1.34 5.85 -1.96 0.15 115.31 128.95 1tl5 h LEU 35 Ca -0.24 -0.83 0.04 0.00 0.84 0.00 0.00 57.88 57.68 1tl5 h LEU 35 Cb 1.08 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1tl5 h LEU 35 CO 1.10 0.91 0.32 1.55 -0.34 0.00 0.00 178.44 181.98 1tl5 h PRO 36 N -0.73 0.59 0.00 5.25 0.13 -1.97 -2.94 132.00 132.34 1tl5 h PRO 36 Ca -0.02 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1tl5 h PRO 36 Cb 0.94 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1tl5 h PRO 36 CO 0.02 0.39 -0.70 0.09 -0.23 0.00 0.00 178.00 177.57 1tl5 n ASN 37 N -4.81 0.61 -3.32 1.44 3.02 -1.26 -4.99 115.26 105.94 1tl5 n ASN 37 Ca 0.06 -0.18 -0.16 0.00 -0.03 0.00 0.00 54.58 54.26 1tl5 n ASN 37 Cb 0.12 0.41 0.08 0.00 -0.61 0.00 0.00 39.78 39.79 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 -1.78 -4.25 -4.03 3.52 4.01 0.38 -4.81 118.16 111.19 1tl5 n LYS 38 Ca 0.04 0.86 -0.33 0.00 -0.51 0.00 0.00 58.31 58.36 1tl5 n LYS 38 Cb 0.39 -5.83 -0.15 0.00 -0.51 0.00 0.00 35.03 28.93 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 -4.83 2.44 -0.19 1.97 1.02 -0.41 -0.51 119.74 119.23 1tl5 s LYS 39 Ca 0.25 -1.23 -0.23 0.00 0.02 0.00 0.00 55.97 54.78 1tl5 s LYS 39 Cb -0.03 -2.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 1tl5 s LYS 39 CO 0.73 -0.52 0.72 0.08 -0.92 0.00 0.00 175.35 175.44 1tl5 s VAL 40 N 1.18 4.96 -0.14 3.17 1.01 0.22 -0.60 120.40 130.19 1tl5 s VAL 40 Ca -0.06 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.30 1tl5 s VAL 40 Cb -0.19 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1tl5 s VAL 40 CO -0.05 0.07 -0.13 0.00 0.00 0.00 0.00 175.10 174.99 1tl5 s ILE 42 N 1.53 1.97 -0.36 0.00 1.01 -0.11 -0.23 121.20 125.01 1tl5 s ILE 42 Ca 0.05 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1tl5 s ILE 42 Cb -0.13 -1.64 0.14 0.00 0.01 0.00 0.00 42.46 40.85 1tl5 s ILE 42 CO -0.10 0.56 0.24 -0.70 0.00 0.00 0.00 174.94 174.93 1tl5 s GLU 43 N -0.56 0.58 0.15 2.79 2.12 -0.53 -0.48 118.70 122.78 1tl5 s GLU 43 Ca 0.09 -1.34 -0.21 0.00 0.36 0.00 0.00 54.97 53.87 1tl5 s GLU 43 Cb -0.10 -1.25 0.06 0.00 0.26 0.00 0.00 34.13 33.11 1tl5 s GLU 43 CO -0.01 -1.22 0.55 -1.12 -0.54 0.00 0.00 175.26 172.92 1tl5 s SER 44 N 1.03 -0.48 -0.79 -1.70 0.01 -1.18 -4.40 113.70 106.19 1tl5 s SER 44 Ca 0.19 -0.08 -0.05 0.00 1.31 0.00 0.00 55.95 57.31 1tl5 s SER 44 Cb -0.20 0.57 -0.06 0.00 0.21 0.00 0.00 66.02 66.53 1tl5 s SER 44 CO -0.01 -0.94 2.13 -0.62 0.41 0.00 0.00 173.24 174.21 1tl5 n GLU 45 N -0.34 1.95 -4.10 12.44 1.02 -1.24 -1.48 120.64 128.89 1tl5 n GLU 45 Ca -0.17 -1.33 -0.11 0.00 -0.02 0.00 0.00 57.16 55.53 1tl5 n GLU 45 Cb 0.65 -2.36 -0.11 0.00 -0.02 0.00 0.00 31.44 29.60 1tl5 n GLU 45 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1tl5 s HIS 46 N 3.20 0.69 0.66 -0.32 3.76 -1.26 -4.90 115.29 117.11 1tl5 s HIS 46 Ca 0.39 -0.77 -0.09 0.00 -0.15 0.00 0.00 55.06 54.44 1tl5 s HIS 46 Cb 0.11 -0.43 0.02 0.00 1.11 0.00 0.00 32.58 33.39 1tl5 s HIS 46 CO -0.03 -0.17 1.01 0.45 -0.85 0.00 0.00 174.74 175.14 1tl5 s SER 47 N -2.40 5.46 0.20 1.40 0.15 -1.26 0.65 113.70 117.90 1tl5 s SER 47 Ca 0.01 0.90 -0.11 0.00 0.70 0.00 0.00 55.95 57.45 1tl5 s SER 47 Cb -0.01 -1.78 0.25 0.00 -1.71 0.00 0.00 66.02 62.78 1tl5 s SER 47 CO -0.04 -1.24 1.71 0.24 1.20 0.00 0.00 173.24 175.11 1tl5 h MET 48 N -0.44 0.23 -0.05 5.44 2.86 -1.99 -1.60 114.93 119.38 1tl5 h MET 48 Ca -0.45 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.21 1tl5 h MET 48 Cb 1.26 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 1tl5 h MET 48 CO 0.62 0.15 -0.27 -0.44 1.06 0.00 0.00 176.91 178.04 1tl5 h ASP 49 N 0.24 -0.81 -0.11 1.22 5.19 -1.98 0.11 116.42 120.27 1tl5 h ASP 49 Ca 0.29 0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.86 1tl5 h ASP 49 Cb 0.42 0.34 -0.06 0.00 0.18 0.00 0.00 39.33 40.21 1tl5 h ASP 49 CO -0.38 -0.33 -0.36 0.74 -3.12 0.00 0.00 179.24 175.79 1tl5 h THR 50 N -0.38 0.24 0.50 0.35 2.02 -1.81 0.11 112.91 113.93 1tl5 h THR 50 Ca 0.08 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1tl5 h THR 50 Cb 0.49 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1tl5 h THR 50 CO -0.27 0.00 -0.24 -0.07 0.37 0.00 0.00 175.52 175.31 1tl5 h LEU 51 N -0.44 -0.57 -0.37 2.58 3.38 -0.93 -1.00 115.31 117.97 1tl5 h LEU 51 Ca 0.08 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1tl5 h LEU 51 Cb 0.58 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1tl5 h LEU 51 CO -0.36 -0.29 -0.40 -0.07 0.09 0.00 0.00 178.44 177.41 1tl5 h LEU 52 N -0.83 -1.37 -0.74 1.67 3.38 -0.66 0.13 115.31 116.89 1tl5 h LEU 52 Ca -0.07 0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1tl5 h LEU 52 Cb 0.58 0.57 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1tl5 h LEU 52 CO 0.11 -0.26 0.42 0.00 0.09 0.00 0.00 178.44 178.80 1tl5 h ALA 53 N -0.32 1.01 0.77 1.53 0.00 -0.75 0.47 119.26 121.97 1tl5 h ALA 53 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1tl5 h ALA 53 Cb 0.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1tl5 h ALA 53 CO -0.47 0.11 -0.41 1.15 0.00 0.00 0.00 179.25 179.62 1tl5 h THR 54 N 0.77 0.16 -0.16 0.00 2.02 -0.64 -3.32 112.91 111.73 1tl5 h THR 54 Ca 0.33 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.38 1tl5 h THR 54 Cb 0.22 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1tl5 h THR 54 CO -0.19 0.00 -0.48 0.17 0.37 0.00 0.00 175.52 175.38 1tl5 h LEU 55 N -1.09 0.46 -0.55 2.58 8.10 -0.12 -3.26 115.31 121.43 1tl5 h LEU 55 Ca -0.10 -0.23 0.19 0.00 0.11 0.00 0.00 57.88 57.85 1tl5 h LEU 55 Cb 0.86 -0.13 -0.10 0.00 -0.44 0.00 0.00 40.66 40.84 1tl5 h LEU 55 CO 0.14 0.88 0.15 1.17 -4.11 0.00 0.00 178.44 176.66 1tl5 n LYS 56 N -3.98 -0.04 -0.52 0.17 4.81 0.10 -0.84 118.16 117.86 1tl5 n LYS 56 Ca -0.02 0.80 0.43 0.00 -0.87 0.00 0.00 58.31 58.65 1tl5 n LYS 56 Cb 0.55 -1.34 0.75 0.00 0.02 0.00 0.00 35.03 35.01 1tl5 n LYS 56 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1tl5 h LYS 57 N 0.00 0.03 -0.30 1.64 1.57 -1.77 0.58 116.57 118.32 1tl5 h LYS 57 Ca 0.40 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.21 1tl5 h LYS 57 Cb 0.95 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1tl5 h LYS 57 CO -0.48 0.02 0.20 1.79 -0.57 0.00 0.00 179.45 180.42 1tl5 h THR 58 N 0.03 1.00 -5.49 -0.16 1.35 -1.29 -3.47 112.91 104.89 1tl5 h THR 58 Ca 0.79 -0.10 -0.27 0.00 -0.55 0.00 0.00 66.41 66.28 1tl5 h THR 58 Cb 2.98 0.69 0.19 0.00 -1.73 0.00 0.00 68.15 70.29 1tl5 h THR 58 CO -0.11 0.05 -0.84 0.61 -0.25 0.00 0.00 175.52 174.98 1tl5 n GLY 59 N -1.52 -1.01 3.26 5.82 0.00 0.19 -5.04 105.19 106.90 1tl5 n GLY 59 Ca 0.03 0.49 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.59 1.44 0.00 1.61 -0.14 -1.26 -5.05 119.74 111.75 1tl5 s LYS 60 Ca 0.37 -1.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.18 1tl5 s LYS 60 Cb -0.05 0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.25 1tl5 s LYS 60 CO 0.74 -0.46 0.84 2.41 -0.76 0.00 0.00 175.35 178.13 1tl5 n THR 61 N -0.44 0.84 -2.47 2.17 -1.04 -1.26 -4.77 114.28 107.32 1tl5 n THR 61 Ca 0.03 -0.10 -0.39 0.00 -2.04 0.00 0.00 64.05 61.56 1tl5 n THR 61 Cb 0.65 -0.97 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 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 0.45 3.85 0.06 12.58 0.11 -1.26 -4.20 120.40 132.00 1tl5 s VAL 62 Ca 0.00 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.22 1tl5 s VAL 62 Cb 0.00 -4.89 -0.05 0.00 -1.53 0.00 0.00 36.38 29.92 1tl5 s VAL 62 CO 0.00 -1.76 0.26 -0.44 -3.33 0.00 0.00 175.10 169.83 1tl5 s SER 63 N 5.46 6.42 -0.17 3.54 0.01 0.34 -4.95 113.70 124.36 1tl5 s SER 63 Ca 0.51 0.43 -0.12 0.00 1.31 0.00 0.00 55.95 58.07 1tl5 s SER 63 Cb -0.01 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1tl5 s SER 63 CO -0.06 0.17 0.24 -0.47 0.41 0.00 0.00 173.24 173.52 1tl5 s TYR 64 N -1.49 3.46 -0.44 2.43 5.04 -1.26 -0.83 117.35 124.27 1tl5 s TYR 64 Ca 0.34 0.53 0.06 0.00 -2.44 0.00 0.00 57.07 55.56 1tl5 s TYR 64 Cb -0.13 -2.27 0.18 0.00 0.35 0.00 0.00 41.96 40.09 1tl5 s TYR 64 CO 0.24 0.29 0.58 -0.48 -1.34 0.00 0.00 175.55 174.83 1tl5 s LEU 65 N 0.33 -0.92 0.00 6.97 -0.00 0.44 -4.92 118.68 120.58 1tl5 s LEU 65 Ca 0.14 -1.48 0.00 0.00 -0.00 0.00 0.00 54.13 52.79 1tl5 s LEU 65 Cb -0.12 1.43 0.00 0.00 -0.00 0.00 0.00 46.19 47.49 1tl5 s LEU 65 CO 0.02 -0.15 0.00 0.61 -0.00 0.00 0.00 176.35 176.83 1tl5 n GLY 66 N 3.75 3.21 3.20 -3.48 0.00 -1.24 -4.50 105.19 106.12 1tl5 n GLY 66 Ca 0.15 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 1tl5 n GLY 66 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1tl5 s LEU 67 N 0.00 1.33 0.00 0.99 2.34 -1.26 -0.50 118.68 121.58 1tl5 s LEU 67 Ca 0.00 -0.44 0.00 0.00 0.06 0.00 0.00 54.13 53.75 1tl5 s LEU 67 Cb 0.00 1.03 0.00 0.00 -0.56 0.00 0.00 46.19 46.66 1tl5 s LEU 67 CO 0.00 -0.62 0.00 1.21 -1.06 0.00 0.00 176.35 175.88