#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 -0.27 -4.06 2.12 -0.02 -0.84 -3.78 135.00 128.16 1tl5 n PRO 2 Ca 0.00 1.45 -0.13 0.00 -2.02 0.00 0.00 63.50 62.81 1tl5 n PRO 2 Cb 0.00 -2.15 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 1tl5 n PRO 2 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1tl5 s LYS 3 N -5.80 0.49 -0.01 -0.52 2.20 0.12 -0.25 119.74 115.97 1tl5 s LYS 3 Ca -0.13 -0.70 -0.04 0.00 -0.36 0.00 0.00 55.97 54.74 1tl5 s LYS 3 Cb 0.17 -0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1tl5 s LYS 3 CO 0.66 0.04 0.09 -1.01 -0.36 0.00 0.00 175.35 174.77 1tl5 s HIS 4 N -1.30 0.01 0.09 4.03 3.76 0.02 -0.78 115.29 121.13 1tl5 s HIS 4 Ca -0.10 -0.02 0.10 0.00 -0.15 0.00 0.00 55.06 54.88 1tl5 s HIS 4 Cb -0.09 -0.04 -0.04 0.00 1.11 0.00 0.00 32.58 33.52 1tl5 s HIS 4 CO 0.00 -0.17 -0.24 -1.21 -0.85 0.00 0.00 174.74 172.27 1tl5 s GLU 5 N -0.77 1.68 -0.07 1.40 2.02 0.45 -0.50 118.70 122.91 1tl5 s GLU 5 Ca -0.09 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.65 1tl5 s GLU 5 Cb -0.05 -2.00 0.02 0.00 0.10 0.00 0.00 34.13 32.20 1tl5 s GLU 5 CO 0.00 0.49 0.17 -0.06 0.02 0.00 0.00 175.26 175.88 1tl5 s PHE 6 N -0.99 -0.19 0.06 1.61 0.40 0.31 -0.33 117.98 118.86 1tl5 s PHE 6 Ca 0.14 0.47 -0.20 0.00 -0.60 0.00 0.00 56.93 56.74 1tl5 s PHE 6 Cb -0.10 0.06 -0.06 0.00 0.51 0.00 0.00 43.02 43.42 1tl5 s PHE 6 CO 0.06 -0.10 0.60 0.45 0.70 0.00 0.00 175.22 176.92 1tl5 s SER 7 N 0.19 7.08 -0.18 1.36 0.15 -0.07 -0.60 113.70 121.63 1tl5 s SER 7 Ca -0.01 1.28 -0.04 0.00 0.70 0.00 0.00 55.95 57.88 1tl5 s SER 7 Cb -0.02 -2.38 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 1tl5 s SER 7 CO -0.00 0.23 0.07 -0.69 1.20 0.00 0.00 173.24 174.04 1tl5 s VAL 8 N -0.89 0.16 -1.14 4.45 1.01 0.07 -0.94 120.40 123.12 1tl5 s VAL 8 Ca 0.30 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.70 1tl5 s VAL 8 Cb -0.20 -0.77 -0.15 0.00 0.00 0.00 0.00 36.38 35.27 1tl5 s VAL 8 CO 0.19 -0.26 2.00 -0.67 0.00 0.00 0.00 175.10 176.36 1tl5 n ASP 9 N 5.18 2.44 -4.57 3.32 -0.08 -0.29 -4.18 116.55 118.37 1tl5 n ASP 9 Ca -0.08 -2.62 -0.40 0.00 -1.51 0.00 0.00 54.79 50.17 1tl5 n ASP 9 Cb 0.48 -1.73 -0.02 0.00 2.34 0.00 0.00 41.12 42.20 1tl5 n ASP 9 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1tl5 s MET 10 N 7.20 3.69 0.17 -0.67 -1.94 -1.26 -4.77 119.30 121.73 1tl5 s MET 10 Ca 0.73 -1.64 0.06 0.00 -1.71 0.00 0.00 55.69 53.13 1tl5 s MET 10 Cb -0.02 -5.45 -0.00 0.00 2.01 0.00 0.00 34.83 31.37 1tl5 s MET 10 CO 0.16 -2.46 1.39 1.15 -0.01 0.00 0.00 175.02 175.25 1tl5 h THR 11 N 6.00 1.56 -4.02 2.05 2.02 -1.96 -3.44 112.91 115.11 1tl5 h THR 11 Ca 0.35 -2.79 -0.16 0.00 0.77 0.00 0.00 66.41 64.58 1tl5 h THR 11 Cb 0.92 2.54 -0.20 0.00 -1.74 0.00 0.00 68.15 69.67 1tl5 h THR 11 CO 1.42 0.80 -0.69 0.00 0.37 0.00 0.00 175.52 177.43 1tl5 h GLY 13 N 4.33 0.01 2.00 0.00 0.00 -2.02 0.17 103.07 107.55 1tl5 h GLY 13 Ca -0.32 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1tl5 h GLY 13 CO 0.46 -0.22 0.00 -1.33 0.00 0.00 0.00 176.54 175.46 1tl5 h GLY 14 N -0.10 0.00 0.67 4.60 0.00 -1.97 0.13 103.07 106.39 1tl5 h GLY 14 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.69 1tl5 h GLY 14 CO -0.78 0.00 0.63 0.00 0.00 0.00 0.00 176.54 176.39 1tl5 h ALA 16 N 1.50 0.91 -0.32 0.00 0.00 -0.87 -0.95 119.26 119.52 1tl5 h ALA 16 Ca 0.44 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.29 1tl5 h ALA 16 Cb 0.29 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1tl5 h ALA 16 CO -0.20 0.43 0.05 0.93 0.00 0.00 0.00 179.25 180.47 1tl5 h GLU 17 N 0.98 0.15 -0.28 0.00 5.08 -1.34 0.12 114.58 119.30 1tl5 h GLU 17 Ca 0.25 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1tl5 h GLU 17 Cb 0.04 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1tl5 h GLU 17 CO -0.04 0.10 -0.01 0.00 -1.00 0.00 0.00 179.01 178.06 1tl5 h ALA 18 N 1.25 0.23 0.31 3.43 0.00 -0.10 0.16 119.26 124.54 1tl5 h ALA 18 Ca 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1tl5 h ALA 18 Cb 0.18 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1tl5 h ALA 18 CO -0.21 -0.42 -0.15 0.28 0.00 0.00 0.00 179.25 178.74 1tl5 h VAL 19 N 0.07 0.70 -0.42 0.00 2.07 -1.00 -0.34 116.25 117.33 1tl5 h VAL 19 Ca 0.13 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1tl5 h VAL 19 Cb 0.18 0.71 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 1tl5 h VAL 19 CO -0.23 0.00 -0.19 -1.28 0.02 0.00 0.00 177.57 175.89 1tl5 h SER 20 N -0.43 -0.65 -0.18 0.57 0.87 -0.25 0.22 113.55 113.70 1tl5 h SER 20 Ca -0.04 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1tl5 h SER 20 Cb 0.33 0.36 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1tl5 h SER 20 CO 0.07 -0.22 0.04 0.03 -0.53 0.00 0.00 176.83 176.22 1tl5 h ARG 21 N -0.11 0.29 -0.40 2.24 3.08 -0.54 0.64 114.38 119.59 1tl5 h ARG 21 Ca 0.20 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1tl5 h ARG 21 Cb 0.42 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1tl5 h ARG 21 CO -0.49 0.44 0.23 -0.24 -1.07 0.00 0.00 179.97 178.83 1tl5 h VAL 22 N 0.09 1.14 -0.57 2.04 3.04 -0.77 0.55 116.25 121.76 1tl5 h VAL 22 Ca 0.05 -0.33 0.04 0.00 -1.01 0.00 0.00 66.70 65.45 1tl5 h VAL 22 Cb 0.28 0.64 -0.04 0.00 -2.01 0.00 0.00 31.29 30.16 1tl5 h VAL 22 CO 0.00 0.14 0.33 -0.07 -1.01 0.00 0.00 177.57 176.96 1tl5 h LEU 23 N 0.51 0.51 0.18 3.16 -0.00 -0.75 -0.78 115.31 118.15 1tl5 h LEU 23 Ca 0.14 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1tl5 h LEU 23 Cb 0.02 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 40.59 1tl5 h LEU 23 CO -0.03 0.35 -0.12 0.78 -0.00 0.00 0.00 178.44 179.43 1tl5 h ASN 24 N 0.64 -0.30 -0.97 -0.43 2.35 -0.63 -2.97 115.58 113.27 1tl5 h ASN 24 Ca 0.24 0.02 0.22 0.00 -0.55 0.00 0.00 56.30 56.23 1tl5 h ASN 24 Cb 0.08 0.10 -0.09 0.00 0.05 0.00 0.00 38.32 38.46 1tl5 h ASN 24 CO -0.13 -0.19 0.62 0.11 -1.65 0.00 0.00 177.43 176.19 1tl5 h LYS 25 N -0.30 0.50 -0.78 0.81 1.79 -0.27 0.20 116.57 118.52 1tl5 h LYS 25 Ca -0.01 -0.03 0.18 0.00 -2.18 0.00 0.00 60.65 58.61 1tl5 h LYS 25 Cb 0.26 -0.11 -0.12 0.00 -1.58 0.00 0.00 32.23 30.67 1tl5 h LYS 25 CO 0.01 0.33 0.19 1.25 -1.08 0.00 0.00 179.45 180.15 1tl5 h LEU 26 N 0.52 0.01 0.00 2.94 7.12 -0.99 -3.48 115.31 121.43 1tl5 h LEU 26 Ca 0.54 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.71 1tl5 h LEU 26 Cb 1.17 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.52 1tl5 h LEU 26 CO -0.27 -0.07 0.00 0.61 -0.13 0.00 0.00 178.44 178.59 1tl5 n GLY 27 N -1.36 -1.74 2.70 3.75 0.00 0.70 -5.00 105.19 104.23 1tl5 n GLY 27 Ca 0.16 0.65 -0.05 0.00 0.00 0.00 0.00 46.02 46.78 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 1.63 3.84 -0.02 0.00 -1.26 -4.90 105.19 104.48 1tl5 n GLY 28 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.72 4.58 -0.43 1.61 0.11 -1.26 -5.05 120.40 119.22 1tl5 s VAL 29 Ca 0.19 1.11 -0.14 0.00 -2.93 0.00 0.00 61.98 60.21 1tl5 s VAL 29 Cb 0.42 -3.67 0.05 0.00 -1.53 0.00 0.00 36.38 31.65 1tl5 s VAL 29 CO -0.08 -0.45 0.33 -0.75 -3.33 0.00 0.00 175.10 170.82 1tl5 s LYS 30 N -3.55 2.93 -0.07 1.54 2.47 -1.26 -4.87 119.74 116.93 1tl5 s LYS 30 Ca 0.57 -1.20 -0.01 0.00 -1.56 0.00 0.00 55.97 53.78 1tl5 s LYS 30 Cb -0.10 -4.01 -0.03 0.00 -1.46 0.00 0.00 37.83 32.23 1tl5 s LYS 30 CO 0.23 -0.88 -0.01 1.52 0.16 0.00 0.00 175.35 176.38 1tl5 s TYR 31 N 1.63 3.12 -0.02 4.03 1.13 -1.26 -1.18 117.35 124.80 1tl5 s TYR 31 Ca 0.04 0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.87 1tl5 s TYR 31 Cb -0.22 -1.76 0.01 0.00 -1.10 0.00 0.00 41.96 38.89 1tl5 s TYR 31 CO 0.08 0.45 -0.04 -0.51 -2.51 0.00 0.00 175.55 173.02 1tl5 s ASP 32 N -0.97 0.64 -0.07 -0.18 1.01 0.56 -4.99 116.67 112.67 1tl5 s ASP 32 Ca 0.14 -0.08 0.03 0.00 0.71 0.00 0.00 52.55 53.35 1tl5 s ASP 32 Cb -0.11 -0.22 0.00 0.00 1.01 0.00 0.00 42.92 43.60 1tl5 s ASP 32 CO 0.03 -0.01 -0.17 -0.63 0.21 0.00 0.00 175.17 174.60 1tl5 s ILE 33 N 0.47 1.50 -0.35 0.77 1.01 -1.26 -0.67 121.20 122.66 1tl5 s ILE 33 Ca -0.05 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1tl5 s ILE 33 Cb -0.09 -1.31 0.08 0.00 0.01 0.00 0.00 42.46 41.15 1tl5 s ILE 33 CO -0.00 0.43 0.09 -0.62 0.00 0.00 0.00 174.94 174.84 1tl5 s ASP 34 N 0.36 5.03 -0.06 3.58 -1.08 0.40 -5.00 116.67 119.90 1tl5 s ASP 34 Ca -0.12 -1.66 -0.26 0.00 -0.52 0.00 0.00 52.55 49.99 1tl5 s ASP 34 Cb -0.15 -1.75 -0.22 0.00 -1.46 0.00 0.00 42.92 39.34 1tl5 s ASP 34 CO 0.05 -0.39 1.09 -0.07 0.52 0.00 0.00 175.17 176.38 1tl5 h LEU 35 N 7.98 0.06 0.08 -1.34 -0.00 -1.98 0.64 115.31 120.74 1tl5 h LEU 35 Ca -0.16 -0.68 0.01 0.00 -0.00 0.00 0.00 57.88 57.06 1tl5 h LEU 35 Cb 1.05 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.67 1tl5 h LEU 35 CO 0.60 0.72 -0.15 1.55 -0.00 0.00 0.00 178.44 181.17 1tl5 h PRO 36 N -0.61 -0.27 0.00 1.13 0.13 -1.97 -3.22 132.00 127.20 1tl5 h PRO 36 Ca -0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1tl5 h PRO 36 Cb 0.72 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1tl5 h PRO 36 CO 0.01 -0.18 -0.33 0.09 -0.23 0.00 0.00 178.00 177.36 1tl5 n ASN 37 N -5.27 0.58 -2.74 1.44 3.02 -1.24 -4.96 115.26 106.09 1tl5 n ASN 37 Ca -0.06 0.24 -0.11 0.00 -0.03 0.00 0.00 54.58 54.61 1tl5 n ASN 37 Cb 0.19 -0.19 0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.94 -3.36 -4.18 3.52 5.02 0.18 -4.92 118.16 112.47 1tl5 n LYS 38 Ca 0.05 0.61 -0.11 0.00 -2.02 0.00 0.00 58.31 56.84 1tl5 n LYS 38 Cb 0.40 -4.76 -0.10 0.00 -0.02 0.00 0.00 35.03 30.55 1tl5 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tl5 s LYS 39 N -4.54 0.88 0.03 1.97 1.02 -0.96 -0.75 119.74 117.39 1tl5 s LYS 39 Ca 0.14 -1.37 0.07 0.00 0.02 0.00 0.00 55.97 54.83 1tl5 s LYS 39 Cb -0.02 -0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.04 1tl5 s LYS 39 CO 0.52 -0.03 -0.19 0.08 -0.92 0.00 0.00 175.35 174.81 1tl5 s VAL 40 N -3.62 1.53 0.07 3.17 1.01 0.24 -0.45 120.40 122.34 1tl5 s VAL 40 Ca 0.14 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.11 1tl5 s VAL 40 Cb 0.05 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1tl5 s VAL 40 CO -0.03 0.22 -0.14 0.00 0.00 0.00 0.00 175.10 175.15 1tl5 s ILE 42 N -1.06 1.54 -0.55 0.00 1.01 0.34 -0.32 121.20 122.16 1tl5 s ILE 42 Ca 0.17 -0.75 0.04 0.00 0.00 0.00 0.00 60.65 60.12 1tl5 s ILE 42 Cb -0.11 -1.34 0.15 0.00 0.01 0.00 0.00 42.46 41.17 1tl5 s ILE 42 CO 0.09 0.44 0.34 -0.70 0.00 0.00 0.00 174.94 175.11 1tl5 s GLU 43 N 0.25 1.86 -0.21 2.79 2.12 -0.33 -0.80 118.70 124.38 1tl5 s GLU 43 Ca -0.10 -2.66 -0.27 0.00 0.36 0.00 0.00 54.97 52.31 1tl5 s GLU 43 Cb -0.14 -2.92 0.07 0.00 0.26 0.00 0.00 34.13 31.40 1tl5 s GLU 43 CO 0.04 -1.21 0.72 -1.12 -0.54 0.00 0.00 175.26 173.15 1tl5 s SER 44 N -0.48 -0.72 0.33 -1.70 0.01 0.66 -4.32 113.70 107.48 1tl5 s SER 44 Ca 0.21 1.25 0.21 0.00 1.31 0.00 0.00 55.95 58.93 1tl5 s SER 44 Cb -0.16 1.22 1.15 0.00 0.21 0.00 0.00 66.02 68.44 1tl5 s SER 44 CO -0.07 -0.34 1.63 -0.62 0.41 0.00 0.00 173.24 174.25 1tl5 n GLU 45 N 2.22 0.14 -1.65 12.44 -0.58 -1.25 -4.45 120.64 127.52 1tl5 n GLU 45 Ca -0.15 0.63 -0.50 0.00 -0.42 0.00 0.00 57.16 56.72 1tl5 n GLU 45 Cb 0.56 -2.00 -0.05 0.00 -0.57 0.00 0.00 31.44 29.38 1tl5 n GLU 45 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1tl5 n HIS 46 N -2.26 2.00 -1.71 -0.32 -0.00 -1.26 -4.78 115.22 106.90 1tl5 n HIS 46 Ca -0.01 0.38 -0.43 0.00 0.46 0.00 0.00 57.72 58.11 1tl5 n HIS 46 Cb 0.08 -2.48 -0.02 0.00 -0.12 0.00 0.00 29.99 27.44 1tl5 n HIS 46 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1tl5 n SER 47 N 3.93 3.40 -0.18 0.26 2.88 -1.26 -4.82 113.62 117.82 1tl5 n SER 47 Ca 0.20 1.14 -0.02 0.00 -1.33 0.00 0.00 58.87 58.86 1tl5 n SER 47 Cb 0.24 -1.52 0.05 0.00 -0.75 0.00 0.00 64.21 62.23 1tl5 n SER 47 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1tl5 h MET 48 N 4.67 0.01 -0.48 -1.46 4.05 -1.92 -1.50 114.93 118.31 1tl5 h MET 48 Ca -0.46 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.04 1tl5 h MET 48 Cb 1.24 -0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.97 1tl5 h MET 48 CO 0.79 0.01 0.08 0.38 0.23 0.00 0.00 176.91 178.39 1tl5 h ASP 49 N 0.02 -0.04 -0.02 1.39 2.03 -1.99 0.10 116.42 117.92 1tl5 h ASP 49 Ca 0.27 0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 56.66 1tl5 h ASP 49 Cb 0.41 0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1tl5 h ASP 49 CO -0.56 0.01 0.00 0.74 -1.03 0.00 0.00 179.24 178.41 1tl5 h THR 50 N 0.21 1.22 0.22 1.15 2.02 -1.78 0.15 112.91 116.10 1tl5 h THR 50 Ca 0.24 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.77 1tl5 h THR 50 Cb 0.33 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1tl5 h THR 50 CO -0.33 0.17 -0.23 -0.07 0.37 0.00 0.00 175.52 175.43 1tl5 h LEU 51 N -0.24 -0.63 0.15 2.58 3.38 -0.98 -0.65 115.31 118.92 1tl5 h LEU 51 Ca 0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1tl5 h LEU 51 Cb 0.28 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1tl5 h LEU 51 CO 0.00 -0.34 -0.49 -0.07 0.09 0.00 0.00 178.44 177.63 1tl5 h LEU 52 N -0.49 -1.47 -0.90 1.67 3.38 -0.64 0.12 115.31 116.97 1tl5 h LEU 52 Ca 0.00 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.30 1tl5 h LEU 52 Cb 0.47 0.53 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 1tl5 h LEU 52 CO -0.06 -0.53 0.48 0.00 0.09 0.00 0.00 178.44 178.41 1tl5 h ALA 53 N -0.65 1.43 0.29 1.53 0.00 -0.63 0.12 119.26 121.34 1tl5 h ALA 53 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1tl5 h ALA 53 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tl5 h ALA 53 CO -0.25 -0.14 -0.14 1.15 0.00 0.00 0.00 179.25 179.87 1tl5 h THR 54 N 0.61 0.00 -0.36 0.00 2.02 -0.57 -3.34 112.91 111.26 1tl5 h THR 54 Ca 0.52 -0.03 -0.05 0.00 0.77 0.00 0.00 66.41 67.61 1tl5 h THR 54 Cb 0.83 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1tl5 h THR 54 CO -0.41 0.00 -0.00 0.17 0.37 0.00 0.00 175.52 175.65 1tl5 h LEU 55 N -0.42 0.53 -1.04 2.58 8.10 -0.20 -1.32 115.31 123.54 1tl5 h LEU 55 Ca -0.04 -0.10 0.41 0.00 0.11 0.00 0.00 57.88 58.26 1tl5 h LEU 55 Cb 0.30 -0.14 -0.17 0.00 -0.44 0.00 0.00 40.66 40.21 1tl5 h LEU 55 CO 0.06 0.60 0.58 0.11 -4.11 0.00 0.00 178.44 175.69 1tl5 h LYS 56 N 0.54 0.05 0.00 0.17 1.57 -0.93 -0.42 116.57 117.55 1tl5 h LYS 56 Ca 0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1tl5 h LYS 56 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1tl5 h LYS 56 CO 0.01 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.56 1tl5 n LYS 57 N -5.17 0.01 0.31 3.15 5.02 -0.50 -0.46 118.16 120.52 1tl5 n LYS 57 Ca 0.37 0.38 0.18 0.00 -2.02 0.00 0.00 58.31 57.22 1tl5 n LYS 57 Cb 1.27 -1.50 0.98 0.00 -0.02 0.00 0.00 35.03 35.76 1tl5 n LYS 57 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1tl5 h THR 58 N 0.00 0.28 -2.62 -0.18 1.35 -1.27 -3.46 112.91 107.01 1tl5 h THR 58 Ca 0.00 -0.15 -0.11 0.00 -0.55 0.00 0.00 66.41 65.59 1tl5 h THR 58 Cb 0.10 1.12 0.04 0.00 -1.73 0.00 0.00 68.15 67.68 1tl5 h THR 58 CO 0.00 0.02 -0.21 0.61 -0.25 0.00 0.00 175.52 175.69 1tl5 n GLY 59 N -0.98 0.43 3.81 5.82 0.00 0.40 -5.04 105.19 109.62 1tl5 n GLY 59 Ca -0.02 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.13 2.92 -0.97 1.61 -0.14 -1.26 -5.02 119.74 111.75 1tl5 s LYS 60 Ca 0.13 -0.87 -0.26 0.00 -1.36 0.00 0.00 55.97 53.61 1tl5 s LYS 60 Cb -0.06 -2.65 -0.18 0.00 -1.68 0.00 0.00 37.83 33.26 1tl5 s LYS 60 CO 0.22 0.48 2.22 0.95 -0.76 0.00 0.00 175.35 178.46 1tl5 s THR 61 N -1.77 3.05 0.01 2.17 -4.23 -1.26 -4.90 115.64 108.70 1tl5 s THR 61 Ca 0.31 -0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1tl5 s THR 61 Cb -0.10 -3.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.10 1tl5 s THR 61 CO 0.24 -0.10 -0.08 0.54 -0.54 0.00 0.00 174.62 174.67 1tl5 s VAL 62 N 15.78 0.65 0.06 2.29 0.11 -1.26 -1.13 120.40 136.89 1tl5 s VAL 62 Ca 0.85 -0.56 -0.06 0.00 -2.93 0.00 0.00 61.98 59.29 1tl5 s VAL 62 Cb -0.08 -0.59 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 1tl5 s VAL 62 CO 0.13 0.04 0.10 -0.94 -3.33 0.00 0.00 175.10 171.10 1tl5 s SER 63 N -0.58 0.24 -0.20 3.54 1.04 -0.12 -5.01 113.70 112.61 1tl5 s SER 63 Ca 0.00 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 55.63 1tl5 s SER 63 Cb -0.05 0.26 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 1tl5 s SER 63 CO 0.00 -0.62 0.14 -0.47 0.98 0.00 0.00 173.24 173.27 1tl5 s TYR 64 N -3.43 3.42 -0.44 5.02 5.04 -1.26 -0.89 117.35 124.81 1tl5 s TYR 64 Ca 0.02 0.35 0.06 0.00 -2.44 0.00 0.00 57.07 55.06 1tl5 s TYR 64 Cb 0.04 -2.16 0.18 0.00 0.35 0.00 0.00 41.96 40.36 1tl5 s TYR 64 CO -0.08 0.30 0.55 -0.48 -1.34 0.00 0.00 175.55 174.50 1tl5 s LEU 65 N 0.32 -0.64 0.00 6.97 -0.00 0.55 -4.90 118.68 120.98 1tl5 s LEU 65 Ca 0.09 -1.71 0.00 0.00 -0.00 0.00 0.00 54.13 52.51 1tl5 s LEU 65 Cb -0.11 1.19 0.00 0.00 -0.00 0.00 0.00 46.19 47.27 1tl5 s LEU 65 CO -0.01 -0.15 0.00 0.61 -0.00 0.00 0.00 176.35 176.80 1tl5 n GLY 66 N 3.59 4.02 2.85 -3.48 0.00 -1.22 -4.44 105.19 106.50 1tl5 n GLY 66 Ca 0.17 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 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 1.00 0.00 0.99 2.96 -1.26 -0.41 118.68 121.96 1tl5 s LEU 67 Ca 0.00 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 1tl5 s LEU 67 Cb 0.00 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.17 1tl5 s LEU 67 CO 0.00 -0.12 0.44 -0.62 -1.32 0.00 0.00 176.35 174.73