#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tl4 h PRO 2 N 0.00 -0.11 -5.06 0.03 0.13 -1.71 -3.39 132.00 121.89 1tl4 h PRO 2 Ca 0.00 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.49 1tl4 h PRO 2 Cb 0.00 0.03 -0.16 0.00 0.13 0.00 0.00 31.00 30.99 1tl4 h PRO 2 CO 0.00 -0.08 -0.22 0.15 -0.23 0.00 0.00 178.00 177.62 1tl4 s LYS 3 N -2.40 3.66 -0.20 0.86 1.02 0.12 -0.23 119.74 122.57 1tl4 s LYS 3 Ca -0.02 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 55.71 1tl4 s LYS 3 Cb 0.00 -3.78 0.02 0.00 -0.52 0.00 0.00 37.83 33.55 1tl4 s LYS 3 CO 0.05 -0.51 -0.16 -1.01 -0.92 0.00 0.00 175.35 172.80 1tl4 s HIS 4 N 2.12 2.86 0.19 3.18 3.76 0.16 -0.54 115.29 127.02 1tl4 s HIS 4 Ca 0.14 -1.62 -0.30 0.00 -0.15 0.00 0.00 55.06 53.13 1tl4 s HIS 4 Cb -0.16 -1.95 -0.08 0.00 1.11 0.00 0.00 32.58 31.50 1tl4 s HIS 4 CO 0.12 -0.78 1.01 -1.21 -0.85 0.00 0.00 174.74 173.03 1tl4 s GLU 5 N 1.30 4.71 -0.05 1.40 8.01 -1.26 -0.65 118.70 132.16 1tl4 s GLU 5 Ca 0.04 1.59 0.04 0.00 0.01 0.00 0.00 54.97 56.64 1tl4 s GLU 5 Cb -0.14 -3.29 -0.00 0.00 -4.31 0.00 0.00 34.13 26.39 1tl4 s GLU 5 CO -0.11 0.27 -0.17 -0.06 0.01 0.00 0.00 175.26 175.21 1tl4 s PHE 6 N -0.59 1.71 0.05 1.61 0.40 0.28 -0.23 117.98 121.20 1tl4 s PHE 6 Ca 0.45 -0.52 -0.19 0.00 -0.60 0.00 0.00 56.93 56.07 1tl4 s PHE 6 Cb -0.27 -1.16 -0.06 0.00 0.51 0.00 0.00 43.02 42.03 1tl4 s PHE 6 CO 0.33 -0.19 0.56 0.45 0.70 0.00 0.00 175.22 177.07 1tl4 s SER 7 N 0.15 7.03 -0.11 1.36 0.15 0.10 -0.31 113.70 122.06 1tl4 s SER 7 Ca -0.06 1.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.76 1tl4 s SER 7 Cb -0.12 -2.35 0.05 0.00 -1.71 0.00 0.00 66.02 61.89 1tl4 s SER 7 CO 0.03 0.24 0.23 -0.69 1.20 0.00 0.00 173.24 174.25 1tl4 s VAL 8 N -0.89 -0.24 -0.61 4.45 1.01 0.25 -0.17 120.40 124.20 1tl4 s VAL 8 Ca 0.29 0.25 -0.35 0.00 0.00 0.00 0.00 61.98 62.16 1tl4 s VAL 8 Cb -0.19 -0.38 -0.16 0.00 0.00 0.00 0.00 36.38 35.65 1tl4 s VAL 8 CO 0.18 0.10 2.36 -0.67 0.00 0.00 0.00 175.10 177.08 1tl4 n ASP 9 N 4.90 1.17 -4.06 3.32 2.03 -0.17 -3.92 116.55 119.82 1tl4 n ASP 9 Ca -0.14 0.31 -0.34 0.00 0.52 0.00 0.00 54.79 55.14 1tl4 n ASP 9 Cb 0.51 -1.09 -0.08 0.00 -0.72 0.00 0.00 41.12 39.75 1tl4 n ASP 9 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1tl4 s MET 10 N 7.27 3.07 0.38 -0.67 -1.94 -1.26 -4.75 119.30 121.40 1tl4 s MET 10 Ca 1.20 -3.28 0.20 0.00 -1.71 0.00 0.00 55.69 52.10 1tl4 s MET 10 Cb -1.09 -3.83 0.54 0.00 2.01 0.00 0.00 34.83 32.46 1tl4 s MET 10 CO 0.51 -1.27 1.66 0.00 -0.01 0.00 0.00 175.02 175.92 1tl4 h THR 11 N 4.17 0.63 -3.68 2.05 1.03 -1.93 -3.46 112.91 111.71 1tl4 h THR 11 Ca 0.15 -1.53 -0.06 0.00 -0.01 0.00 0.00 66.41 64.96 1tl4 h THR 11 Cb 0.80 2.04 -0.09 0.00 -1.07 0.00 0.00 68.15 69.83 1tl4 h THR 11 CO 0.82 0.31 -0.13 0.00 -0.01 0.00 0.00 175.52 176.50 1tl4 h GLY 13 N 2.26 1.62 0.20 0.00 0.00 -1.99 -0.39 103.07 104.77 1tl4 h GLY 13 Ca -0.26 -0.15 0.23 0.00 0.00 0.00 0.00 47.33 47.14 1tl4 h GLY 13 CO 0.36 -0.35 0.62 -1.33 0.00 0.00 0.00 176.54 175.84 1tl4 h GLY 14 N 0.33 0.76 0.96 4.60 0.00 -1.98 0.20 103.07 107.93 1tl4 h GLY 14 Ca 0.60 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 1tl4 h GLY 14 CO -0.58 -0.03 0.16 0.00 0.00 0.00 0.00 176.54 176.09 1tl4 h ALA 16 N 1.04 0.45 -0.06 0.00 0.00 -0.76 0.60 119.26 120.53 1tl4 h ALA 16 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1tl4 h ALA 16 Cb 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1tl4 h ALA 16 CO -0.02 0.02 -0.24 0.93 0.00 0.00 0.00 179.25 179.94 1tl4 h GLU 17 N 0.42 -0.33 0.05 0.00 5.08 -1.03 0.17 114.58 118.94 1tl4 h GLU 17 Ca 0.12 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1tl4 h GLU 17 Cb 0.14 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1tl4 h GLU 17 CO -0.01 -0.22 -0.15 0.00 -1.00 0.00 0.00 179.01 177.62 1tl4 h ALA 18 N 0.54 -0.22 -0.33 3.43 0.00 -0.65 -0.04 119.26 122.00 1tl4 h ALA 18 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1tl4 h ALA 18 Cb 0.46 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1tl4 h ALA 18 CO -0.26 -0.66 0.04 0.28 0.00 0.00 0.00 179.25 178.65 1tl4 h VAL 19 N -0.28 0.81 -0.36 0.00 2.07 -0.66 -0.92 116.25 116.91 1tl4 h VAL 19 Ca 0.04 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1tl4 h VAL 19 Cb 0.32 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1tl4 h VAL 19 CO -0.11 0.03 0.07 -1.28 0.02 0.00 0.00 177.57 176.30 1tl4 h SER 20 N 0.15 0.02 -0.49 0.57 0.87 -0.24 0.15 113.55 114.57 1tl4 h SER 20 Ca 0.16 0.06 0.10 0.00 -1.23 0.00 0.00 61.79 60.87 1tl4 h SER 20 Cb 0.19 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.14 1tl4 h SER 20 CO -0.23 0.05 -0.06 -0.09 -0.53 0.00 0.00 176.83 175.96 1tl4 h ARG 21 N 0.20 0.05 0.19 2.24 2.43 -0.47 0.38 114.38 119.40 1tl4 h ARG 21 Ca 0.17 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1tl4 h ARG 21 Cb 0.19 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1tl4 h ARG 21 CO -0.22 0.03 -0.09 0.28 -1.51 0.00 0.00 179.97 178.46 1tl4 h VAL 22 N 0.05 0.87 -0.14 0.20 2.07 0.27 -1.40 116.25 118.17 1tl4 h VAL 22 Ca 0.24 -0.23 -0.16 0.00 0.82 0.00 0.00 66.70 67.37 1tl4 h VAL 22 Cb 0.38 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1tl4 h VAL 22 CO -0.46 0.05 -0.58 -0.07 0.02 0.00 0.00 177.57 176.53 1tl4 h LEU 23 N -0.36 0.49 -0.98 2.57 3.38 -0.59 -2.05 115.31 117.77 1tl4 h LEU 23 Ca -0.03 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1tl4 h LEU 23 Cb 0.28 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1tl4 h LEU 23 CO 0.04 0.96 0.63 -1.13 0.09 0.00 0.00 178.44 179.03 1tl4 h ASN 24 N 0.33 1.15 -0.78 -0.43 -0.00 -0.15 0.93 115.58 116.62 1tl4 h ASN 24 Ca 0.00 -0.05 0.10 0.00 -0.00 0.00 0.00 56.30 56.36 1tl4 h ASN 24 Cb 1.11 -0.29 -0.05 0.00 -0.00 0.00 0.00 38.32 39.08 1tl4 h ASN 24 CO 0.10 0.85 0.51 0.50 -0.00 0.00 0.00 177.43 179.40 1tl4 h LYS 25 N 1.34 0.65 0.12 6.67 3.64 -0.55 0.13 116.57 128.57 1tl4 h LYS 25 Ca 0.36 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1tl4 h LYS 25 Cb -0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 1tl4 h LYS 25 CO -0.07 0.43 -0.09 1.25 -2.27 0.00 0.00 179.45 178.70 1tl4 h LEU 26 N 0.67 -0.23 0.00 5.20 7.12 -0.68 -3.46 115.31 123.93 1tl4 h LEU 26 Ca 0.36 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.39 1tl4 h LEU 26 Cb 0.51 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 1tl4 h LEU 26 CO -0.14 -0.14 0.00 0.61 -0.13 0.00 0.00 178.44 178.64 1tl4 n GLY 27 N -1.20 1.86 2.25 3.75 0.00 0.45 -4.74 105.19 107.55 1tl4 n GLY 27 Ca -0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 2.69 3.16 -0.02 0.00 -1.26 -4.75 105.19 105.01 1tl4 n GLY 28 Ca 0.00 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 45.01 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 1.98 0.09 0.04 1.61 -7.23 -1.26 -4.75 120.40 110.88 1tl4 s VAL 29 Ca 0.48 -0.76 0.01 0.00 -1.81 0.00 0.00 61.98 59.90 1tl4 s VAL 29 Cb 0.20 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.43 1tl4 s VAL 29 CO -0.01 -0.42 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.76 1tl4 s LYS 30 N -1.92 0.48 -0.14 4.82 -0.14 -1.19 -5.01 119.74 116.63 1tl4 s LYS 30 Ca -0.10 -0.76 -0.21 0.00 -1.36 0.00 0.00 55.97 53.54 1tl4 s LYS 30 Cb -0.04 -0.14 0.05 0.00 -1.68 0.00 0.00 37.83 36.02 1tl4 s LYS 30 CO -0.00 0.01 0.53 1.52 -0.76 0.00 0.00 175.35 176.65 1tl4 s TYR 31 N -1.64 -0.54 -0.30 3.18 1.13 -1.26 -0.48 117.35 117.45 1tl4 s TYR 31 Ca -0.10 1.18 -0.17 0.00 -1.41 0.00 0.00 57.07 56.57 1tl4 s TYR 31 Cb -0.08 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.99 1tl4 s TYR 31 CO -0.01 -0.38 0.46 0.34 -2.51 0.00 0.00 175.55 173.45 1tl4 s ASP 32 N -0.33 6.33 -0.62 -0.18 2.15 0.37 -4.90 116.67 119.48 1tl4 s ASP 32 Ca -0.05 0.24 -0.08 0.00 0.43 0.00 0.00 52.55 53.09 1tl4 s ASP 32 Cb -0.03 -2.25 0.16 0.00 -0.30 0.00 0.00 42.92 40.50 1tl4 s ASP 32 CO 0.03 -0.32 0.49 -0.63 -0.17 0.00 0.00 175.17 174.58 1tl4 s ILE 33 N 2.24 4.33 -0.38 4.11 1.01 -1.26 -0.82 121.20 130.43 1tl4 s ILE 33 Ca 0.18 -2.46 -0.23 0.00 0.00 0.00 0.00 60.65 58.15 1tl4 s ILE 33 Cb -0.16 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1tl4 s ILE 33 CO 0.11 -0.88 0.75 -0.62 0.00 0.00 0.00 174.94 174.30 1tl4 s ASP 34 N 1.70 6.49 -0.04 3.58 -1.08 0.37 -4.96 116.67 122.72 1tl4 s ASP 34 Ca 0.14 0.19 -0.06 0.00 -0.52 0.00 0.00 52.55 52.30 1tl4 s ASP 34 Cb -0.20 -2.38 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 1tl4 s ASP 34 CO -0.04 -0.75 0.31 -0.07 0.52 0.00 0.00 175.17 175.14 1tl4 h LEU 35 N 9.75 -0.18 -0.97 -1.34 3.38 -1.96 0.33 115.31 124.32 1tl4 h LEU 35 Ca -0.25 0.01 0.20 0.00 0.09 0.00 0.00 57.88 57.92 1tl4 h LEU 35 Cb 1.10 0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 1tl4 h LEU 35 CO 0.91 0.14 -0.23 -2.65 0.09 0.00 0.00 178.44 176.69 1tl4 n PRO 36 N -4.03 -0.09 0.00 1.13 -0.02 -1.26 -0.83 135.00 129.90 1tl4 n PRO 36 Ca -0.03 1.51 0.13 0.00 -2.02 0.00 0.00 63.50 63.09 1tl4 n PRO 36 Cb 0.08 -2.25 0.43 0.00 -0.02 0.00 0.00 33.50 31.74 1tl4 n PRO 36 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1tl4 n ASN 37 N -5.57 1.13 -3.15 2.55 2.85 -1.25 -4.98 115.26 106.84 1tl4 n ASN 37 Ca 0.16 -1.05 -0.14 0.00 -0.11 0.00 0.00 54.58 53.44 1tl4 n ASN 37 Cb 0.49 0.09 0.07 0.00 1.24 0.00 0.00 39.78 41.67 1tl4 n ASN 37 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1tl4 n LYS 38 N -0.43 -2.40 -3.73 1.20 5.02 -0.01 -4.87 118.16 112.94 1tl4 n LYS 38 Ca 0.14 0.81 -0.14 0.00 -2.02 0.00 0.00 58.31 57.11 1tl4 n LYS 38 Cb 0.35 -5.57 -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 -4.37 0.63 -0.31 1.97 1.02 -0.03 -0.58 119.74 118.07 1tl4 s LYS 39 Ca 0.40 0.16 -0.02 0.00 0.02 0.00 0.00 55.97 56.52 1tl4 s LYS 39 Cb -0.05 0.29 0.11 0.00 -0.52 0.00 0.00 37.83 37.66 1tl4 s LYS 39 CO 0.69 -0.15 0.15 0.08 -0.92 0.00 0.00 175.35 175.21 1tl4 s VAL 40 N -0.70 0.11 -0.33 3.17 1.01 0.57 -0.48 120.40 123.75 1tl4 s VAL 40 Ca -0.08 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 1tl4 s VAL 40 Cb -0.04 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1tl4 s VAL 40 CO 0.03 -0.80 0.20 0.00 0.00 0.00 0.00 175.10 174.53 1tl4 s ILE 42 N 1.68 4.29 -0.59 0.00 1.01 0.17 -0.47 121.20 127.29 1tl4 s ILE 42 Ca 0.05 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 1tl4 s ILE 42 Cb -0.17 -2.98 0.14 0.00 0.01 0.00 0.00 42.46 39.46 1tl4 s ILE 42 CO 0.09 0.38 0.56 -1.61 0.00 0.00 0.00 174.94 174.36 1tl4 s GLU 43 N 1.24 3.09 -0.27 2.79 2.02 0.37 -0.66 118.70 127.29 1tl4 s GLU 43 Ca 0.04 -1.80 -0.20 0.00 0.02 0.00 0.00 54.97 53.03 1tl4 s GLU 43 Cb -0.15 -4.32 0.07 0.00 0.10 0.00 0.00 34.13 29.84 1tl4 s GLU 43 CO 0.03 -1.34 0.68 0.45 0.02 0.00 0.00 175.26 175.10 1tl4 s SER 44 N 3.38 -0.81 0.63 -0.19 0.15 0.67 -3.19 113.70 114.34 1tl4 s SER 44 Ca 0.06 1.43 0.28 0.00 0.70 0.00 0.00 55.95 58.42 1tl4 s SER 44 Cb -0.26 1.38 1.44 0.00 -1.71 0.00 0.00 66.02 66.87 1tl4 s SER 44 CO 0.01 -0.24 1.83 1.05 1.20 0.00 0.00 173.24 177.10 1tl4 h GLU 45 N 5.91 0.00 -6.23 5.44 4.11 -1.75 -3.34 114.58 118.71 1tl4 h GLU 45 Ca -0.30 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.46 1tl4 h GLU 45 Cb 1.19 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.52 1tl4 h GLU 45 CO 0.11 0.00 0.12 1.58 0.07 0.00 0.00 179.01 180.89 1tl4 n HIS 46 N -3.27 0.93 -1.63 2.06 -0.00 -1.26 -4.56 115.22 107.48 1tl4 n HIS 46 Ca 0.04 0.78 -0.47 0.00 0.46 0.00 0.00 57.72 58.54 1tl4 n HIS 46 Cb 0.59 -2.20 -0.03 0.00 -0.12 0.00 0.00 29.99 28.23 1tl4 n HIS 46 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1tl4 n SER 47 N 1.91 2.23 0.18 0.26 2.88 -1.26 -4.80 113.62 115.01 1tl4 n SER 47 Ca 0.16 1.14 0.03 0.00 -1.33 0.00 0.00 58.87 58.87 1tl4 n SER 47 Cb 0.22 -1.34 0.43 0.00 -0.75 0.00 0.00 64.21 62.76 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 4.03 0.08 -0.67 -1.46 -0.00 -1.86 -0.98 114.93 114.08 1tl4 h MET 48 Ca -0.44 -0.02 0.08 0.00 -0.00 0.00 0.00 59.70 59.31 1tl4 h MET 48 Cb 1.30 -0.01 -0.11 0.00 -0.00 0.00 0.00 31.60 32.78 1tl4 h MET 48 CO 0.75 0.30 -0.52 0.22 -0.00 0.00 0.00 176.91 177.66 1tl4 h ASP 49 N 0.08 -1.82 0.01 -0.10 3.58 -1.99 0.17 116.42 116.36 1tl4 h ASP 49 Ca 0.01 0.27 -0.19 0.00 0.42 0.00 0.00 57.03 57.55 1tl4 h ASP 49 Cb 0.43 0.80 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1tl4 h ASP 49 CO 0.03 -0.33 -0.69 0.74 -2.88 0.00 0.00 179.24 176.11 1tl4 h THR 50 N -0.21 1.32 0.22 2.25 2.02 -1.55 0.89 112.91 117.86 1tl4 h THR 50 Ca 0.15 -1.97 -0.00 0.00 0.77 0.00 0.00 66.41 65.36 1tl4 h THR 50 Cb 0.53 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 1tl4 h THR 50 CO -0.75 0.61 -0.27 -0.07 0.37 0.00 0.00 175.52 175.41 1tl4 h LEU 51 N 0.44 -0.75 -0.29 2.58 -0.00 -1.31 -0.47 115.31 115.52 1tl4 h LEU 51 Ca -0.03 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 1tl4 h LEU 51 Cb 1.28 0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 42.16 1tl4 h LEU 51 CO 0.13 -0.34 -0.17 0.18 -0.00 0.00 0.00 178.44 178.25 1tl4 n LEU 52 N -3.97 -0.30 -0.06 1.67 4.77 0.59 -0.02 117.00 119.68 1tl4 n LEU 52 Ca -0.06 1.18 0.02 0.00 -0.03 0.00 0.00 56.01 57.13 1tl4 n LEU 52 Cb 0.24 -0.40 0.35 0.00 -2.33 0.00 0.00 43.42 41.28 1tl4 n LEU 52 CO 0.13 -0.75 1.14 0.00 -1.33 0.00 0.00 177.39 176.58 1tl4 h ALA 53 N -0.53 1.58 -0.20 -1.18 0.00 -0.84 0.18 119.26 118.26 1tl4 h ALA 53 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1tl4 h ALA 53 Cb 0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1tl4 h ALA 53 CO -0.27 0.36 -0.32 1.15 0.00 0.00 0.00 179.25 180.17 1tl4 h THR 54 N 0.67 1.33 -0.60 0.00 2.02 -0.19 -2.97 112.91 113.18 1tl4 h THR 54 Ca 0.18 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1tl4 h THR 54 Cb -0.01 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1tl4 h THR 54 CO -0.03 0.47 0.28 -0.07 0.37 0.00 0.00 175.52 176.55 1tl4 h LEU 55 N 0.25 0.79 -1.92 2.58 3.38 0.53 -0.99 115.31 119.93 1tl4 h LEU 55 Ca 0.02 -0.13 0.30 0.00 0.09 0.00 0.00 57.88 58.15 1tl4 h LEU 55 Cb 0.91 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1tl4 h LEU 55 CO 0.07 0.70 0.74 0.11 0.09 0.00 0.00 178.44 180.16 1tl4 h LYS 56 N 0.82 0.05 -0.09 1.13 1.57 -0.71 -1.65 116.57 117.69 1tl4 h LYS 56 Ca 0.20 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1tl4 h LYS 56 Cb 0.12 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1tl4 h LYS 56 CO -0.03 0.03 0.13 0.87 -0.57 0.00 0.00 179.45 179.89 1tl4 h LYS 57 N 0.05 0.00 -0.35 3.15 1.57 -1.01 0.25 116.57 120.24 1tl4 h LYS 57 Ca 0.51 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.21 1tl4 h LYS 57 Cb 1.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.23 1tl4 h LYS 57 CO -0.04 0.00 -0.13 1.79 -0.57 0.00 0.00 179.45 180.50 1tl4 h THR 58 N 0.00 1.25 -3.03 -0.16 1.35 -1.46 -3.47 112.91 107.39 1tl4 h THR 58 Ca 0.04 -1.11 -0.36 0.00 -0.55 0.00 0.00 66.41 64.43 1tl4 h THR 58 Cb 0.31 1.12 0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1tl4 h THR 58 CO -0.00 0.37 -0.49 0.61 -0.25 0.00 0.00 175.52 175.76 1tl4 n GLY 59 N -0.53 -0.38 3.85 5.82 0.00 0.89 -5.03 105.19 109.80 1tl4 n GLY 59 Ca 0.01 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1tl4 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tl4 s LYS 60 N -5.11 1.20 -1.05 1.61 -0.14 -1.26 -4.93 119.74 110.06 1tl4 s LYS 60 Ca 0.08 0.06 -0.24 0.00 -1.36 0.00 0.00 55.97 54.52 1tl4 s LYS 60 Cb -0.04 -1.87 -0.14 0.00 -1.68 0.00 0.00 37.83 34.10 1tl4 s LYS 60 CO 0.11 -2.11 1.95 2.41 -0.76 0.00 0.00 175.35 176.95 1tl4 n THR 61 N -3.66 1.45 -2.97 2.17 -1.04 -1.26 -4.89 114.28 104.08 1tl4 n THR 61 Ca 0.09 -1.47 -0.34 0.00 -2.04 0.00 0.00 64.05 60.29 1tl4 n THR 61 Cb 0.60 -2.15 -0.06 0.00 -1.82 0.00 0.00 70.33 66.89 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 11.26 4.49 -0.11 12.58 0.11 -1.26 -1.00 120.40 146.47 1tl4 s VAL 62 Ca 0.69 1.32 -0.09 0.00 -2.93 0.00 0.00 61.98 60.97 1tl4 s VAL 62 Cb 0.01 -3.70 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1tl4 s VAL 62 CO 0.16 -0.13 0.29 -0.44 -3.33 0.00 0.00 175.10 171.64 1tl4 s SER 63 N -2.05 -0.30 -0.05 3.54 0.01 0.77 -4.96 113.70 110.65 1tl4 s SER 63 Ca 0.55 0.58 -0.28 0.00 1.31 0.00 0.00 55.95 58.11 1tl4 s SER 63 Cb -0.12 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.65 1tl4 s SER 63 CO 0.17 -0.12 0.93 -0.47 0.41 0.00 0.00 173.24 174.16 1tl4 s TYR 64 N 0.42 3.59 0.54 2.43 5.04 -1.26 -0.72 117.35 127.38 1tl4 s TYR 64 Ca -0.02 1.56 0.06 0.00 -2.44 0.00 0.00 57.07 56.22 1tl4 s TYR 64 Cb -0.04 -3.07 0.06 0.00 0.35 0.00 0.00 41.96 39.26 1tl4 s TYR 64 CO -0.02 -0.07 0.49 1.28 -1.34 0.00 0.00 175.55 175.89 1tl4 n LEU 65 N 4.28 0.00 0.00 6.97 4.32 0.68 -4.91 117.00 128.34 1tl4 n LEU 65 Ca 0.05 -2.67 0.00 0.00 -0.02 0.00 0.00 56.01 53.37 1tl4 n LEU 65 Cb 0.50 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.17 1tl4 n LEU 65 CO 0.51 -0.61 0.00 0.61 -1.22 0.00 0.00 177.39 176.68 1tl4 n GLY 66 N -1.48 0.75 3.40 -0.72 0.00 -1.26 -4.25 105.19 101.63 1tl4 n GLY 66 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 0.00 0.99 2.96 -1.26 -4.55 118.68 116.85 1tl4 s LEU 67 Ca 0.00 0.56 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 1tl4 s LEU 67 Cb 0.00 1.92 0.00 0.00 0.50 0.00 0.00 46.19 48.61 1tl4 s LEU 67 CO 0.00 -0.46 0.00 1.21 -1.32 0.00 0.00 176.35 175.78