#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul3 s LYS 2 N 0.00 1.18 -0.22 2.12 -0.14 0.53 -2.49 119.74 120.72 1ul3 s LYS 2 Ca 0.00 -0.65 -0.21 0.00 -1.36 0.00 0.00 55.97 53.75 1ul3 s LYS 2 Cb 0.00 -1.17 -0.02 0.00 -1.68 0.00 0.00 37.83 34.95 1ul3 s LYS 2 CO 0.00 0.31 0.63 0.21 -0.76 0.00 0.00 175.35 175.75 1ul3 s LYS 3 N -0.66 4.18 -0.29 1.68 2.47 0.20 -1.45 119.74 125.87 1ul3 s LYS 3 Ca 0.05 0.60 -0.04 0.00 -1.56 0.00 0.00 55.97 55.02 1ul3 s LYS 3 Cb -0.07 -3.60 0.03 0.00 -1.46 0.00 0.00 37.83 32.73 1ul3 s LYS 3 CO 0.00 -0.30 0.03 0.08 0.16 0.00 0.00 175.35 175.32 1ul3 s VAL 4 N 2.11 3.40 -0.19 4.02 1.01 0.15 -0.97 120.40 129.93 1ul3 s VAL 4 Ca 0.28 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1ul3 s VAL 4 Cb -0.16 -2.82 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1ul3 s VAL 4 CO 0.10 0.03 -0.19 -1.83 0.00 0.00 0.00 175.10 173.20 1ul3 s GLU 5 N 1.38 2.96 -0.11 2.72 -1.05 -0.48 -1.62 118.70 122.49 1ul3 s GLU 5 Ca -0.01 -0.85 -0.01 0.00 -0.15 0.00 0.00 54.97 53.95 1ul3 s GLU 5 Cb -0.18 -2.60 -0.02 0.00 -0.44 0.00 0.00 34.13 30.89 1ul3 s GLU 5 CO -0.00 -0.23 -0.08 0.00 0.95 0.00 0.00 175.26 175.90 1ul3 s ALA 6 N 1.29 2.87 -0.41 -0.84 0.00 0.13 -0.77 121.76 124.03 1ul3 s ALA 6 Ca 0.04 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 1ul3 s ALA 6 Cb -0.13 -1.31 0.05 0.00 0.00 0.00 0.00 23.12 21.73 1ul3 s ALA 6 CO -0.12 0.37 0.25 0.42 0.00 0.00 0.00 175.76 176.68 1ul3 s ILE 7 N -0.11 4.52 0.36 0.00 -1.09 0.23 -0.08 121.20 125.04 1ul3 s ILE 7 Ca 0.01 -1.11 0.07 0.00 -2.23 0.00 0.00 60.65 57.39 1ul3 s ILE 7 Cb -0.13 -3.65 -0.07 0.00 -1.58 0.00 0.00 42.46 37.03 1ul3 s ILE 7 CO 0.03 -0.39 -0.02 0.27 -1.23 0.00 0.00 174.94 173.60 1ul3 s ILE 8 N 1.51 1.90 0.26 2.92 -4.36 0.28 -2.81 121.20 120.91 1ul3 s ILE 8 Ca 0.03 -2.07 -0.30 0.00 -0.26 0.00 0.00 60.65 58.05 1ul3 s ILE 8 Cb -0.21 -2.81 -0.10 0.00 1.25 0.00 0.00 42.46 40.59 1ul3 s ILE 8 CO 0.05 -0.09 1.29 -0.13 0.24 0.00 0.00 174.94 176.30 1ul3 s ARG 9 N -3.71 4.40 0.44 0.37 0.52 -1.26 -0.57 118.95 119.13 1ul3 s ARG 9 Ca 0.34 2.10 0.19 0.00 -0.52 0.00 0.00 55.73 57.84 1ul3 s ARG 9 Cb 0.07 -3.14 1.13 0.00 0.52 0.00 0.00 34.95 33.53 1ul3 s ARG 9 CO 0.16 -0.18 1.89 -1.35 0.02 0.00 0.00 175.30 175.84 1ul3 h PRO 10 N 4.41 0.34 0.00 3.54 0.11 -1.88 -0.95 132.00 137.57 1ul3 h PRO 10 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ul3 h PRO 10 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ul3 h PRO 10 CO 0.72 0.23 0.00 1.97 -0.21 0.00 0.00 178.00 180.70 1ul3 n PHE 11 N -4.47 0.00 1.24 0.65 1.16 -1.26 -2.51 117.46 112.26 1ul3 n PHE 11 Ca 0.17 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 55.88 1ul3 n PHE 11 Cb 0.67 -0.14 0.30 0.00 -1.61 0.00 0.00 39.48 38.69 1ul3 n PHE 11 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 1ul3 n LYS 12 N -1.14 1.80 0.09 3.97 4.76 -0.36 -4.51 118.16 122.77 1ul3 n LYS 12 Ca 0.14 -1.30 -0.13 0.00 -2.87 0.00 0.00 58.31 54.16 1ul3 n LYS 12 Cb 0.13 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 1ul3 n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ul3 h LEU 13 N 3.17 -1.02 -0.53 -0.35 6.46 -1.63 -1.14 115.31 120.27 1ul3 h LEU 13 Ca 0.00 0.12 0.05 0.00 -0.12 0.00 0.00 57.88 57.93 1ul3 h LEU 13 Cb 0.72 0.40 -0.05 0.00 -0.73 0.00 0.00 40.66 41.00 1ul3 h LEU 13 CO 0.00 -0.42 0.26 -2.24 -0.62 0.00 0.00 178.44 175.42 1ul3 h ASP 14 N -0.54 0.37 -0.41 1.25 3.04 -1.85 0.89 116.42 119.17 1ul3 h ASP 14 Ca 0.04 0.03 -0.08 0.00 -3.24 0.00 0.00 57.03 53.79 1ul3 h ASP 14 Cb 0.59 -0.03 -0.02 0.00 -1.04 0.00 0.00 39.33 38.83 1ul3 h ASP 14 CO -0.24 0.25 -0.01 -0.08 -2.04 0.00 0.00 179.24 177.12 1ul3 h GLU 15 N 0.50 0.81 -0.28 4.15 4.81 -1.80 -0.71 114.58 122.06 1ul3 h GLU 15 Ca 0.24 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1ul3 h GLU 15 Cb 0.16 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1ul3 h GLU 15 CO -0.17 0.82 -0.32 0.28 -0.73 0.00 0.00 179.01 178.88 1ul3 h VAL 16 N 0.75 1.30 -0.60 0.32 2.07 -0.89 -1.25 116.25 117.96 1ul3 h VAL 16 Ca 0.14 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1ul3 h VAL 16 Cb 0.47 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1ul3 h VAL 16 CO 0.02 0.48 0.36 0.50 0.02 0.00 0.00 177.57 178.96 1ul3 h LYS 17 N 0.46 0.69 -0.21 1.57 3.64 -0.49 0.48 116.57 122.72 1ul3 h LYS 17 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ul3 h LYS 17 Cb 0.90 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1ul3 h LYS 17 CO 0.08 0.46 0.07 0.82 -2.27 0.00 0.00 179.45 178.60 1ul3 h ILE 18 N 0.72 1.19 -0.51 2.00 1.08 -0.99 -1.43 117.51 119.57 1ul3 h ILE 18 Ca 0.24 -0.60 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 1ul3 h ILE 18 Cb 0.03 1.19 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1ul3 h ILE 18 CO -0.11 0.19 0.25 0.00 -0.69 0.00 0.00 178.15 177.80 1ul3 h ALA 19 N 0.89 0.65 -0.45 1.87 0.00 -0.75 -0.81 119.26 120.66 1ul3 h ALA 19 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ul3 h ALA 19 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ul3 h ALA 19 CO -0.00 -0.10 0.22 -0.07 0.00 0.00 0.00 179.25 179.30 1ul3 h LEU 20 N 0.49 0.59 -0.07 0.00 4.07 -0.76 -1.16 115.31 118.47 1ul3 h LEU 20 Ca 0.22 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1ul3 h LEU 20 Cb 0.14 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.72 1ul3 h LEU 20 CO -0.16 0.55 0.03 0.58 -1.08 0.00 0.00 178.44 178.36 1ul3 h VAL 21 N 0.59 1.11 0.00 1.22 2.07 -0.86 -0.64 116.25 119.74 1ul3 h VAL 21 Ca 0.16 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1ul3 h VAL 21 Cb 0.11 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ul3 h VAL 21 CO -0.02 0.10 -0.01 0.78 0.02 0.00 0.00 177.57 178.43 1ul3 h ASN 22 N -0.02 0.00 -0.07 0.57 2.35 -1.04 -0.21 115.58 117.17 1ul3 h ASN 22 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1ul3 h ASN 22 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 1ul3 h ASN 22 CO -0.00 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.79 1ul3 n ALA 23 N -2.33 2.58 -0.67 -0.83 0.00 -0.45 -4.90 120.51 113.91 1ul3 n ALA 23 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1ul3 n ALA 23 Cb 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1ul3 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ul3 n GLY 24 N 1.02 0.74 3.69 0.00 0.00 -0.09 -5.02 105.19 105.53 1ul3 n GLY 24 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1ul3 n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ul3 s ILE 25 N -2.59 4.93 -0.29 -0.61 1.09 -0.30 -5.01 121.20 118.41 1ul3 s ILE 25 Ca 0.00 1.60 0.02 0.00 -1.10 0.00 0.00 60.65 61.16 1ul3 s ILE 25 Cb 0.00 -4.12 0.07 0.00 -1.06 0.00 0.00 42.46 37.35 1ul3 s ILE 25 CO 0.00 0.11 -0.04 0.54 -0.10 0.00 0.00 174.94 175.45 1ul3 s VAL 26 N 1.64 2.43 0.00 2.92 0.11 -1.26 -4.03 120.40 122.21 1ul3 s VAL 26 Ca 0.39 -1.73 0.00 0.00 -2.93 0.00 0.00 61.98 57.71 1ul3 s VAL 26 Cb -0.17 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.18 1ul3 s VAL 26 CO 0.15 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1ul3 n GLY 27 N 4.45 2.34 3.25 6.54 0.00 -1.26 -5.07 105.19 115.45 1ul3 n GLY 27 Ca -0.10 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 1ul3 n GLY 27 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ul3 s MET 28 N -4.75 0.82 -0.11 1.61 0.00 -1.26 -4.79 119.30 110.82 1ul3 s MET 28 Ca 0.00 -0.52 0.03 0.00 0.00 0.00 0.00 55.69 55.19 1ul3 s MET 28 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 35.18 1ul3 s MET 28 CO 0.00 -0.26 -0.20 0.99 0.00 0.00 0.00 175.02 175.55 1ul3 s THR 29 N -2.62 2.45 -0.09 3.16 2.01 -0.43 -4.95 115.64 115.17 1ul3 s THR 29 Ca -0.04 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.12 1ul3 s THR 29 Cb -0.01 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 1ul3 s THR 29 CO -0.04 0.55 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.51 1ul3 s VAL 30 N 0.28 2.09 0.04 3.82 1.01 -1.26 -0.54 120.40 125.85 1ul3 s VAL 30 Ca -0.14 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1ul3 s VAL 30 Cb -0.17 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1ul3 s VAL 30 CO 0.07 0.56 -0.09 -0.94 0.00 0.00 0.00 175.10 174.70 1ul3 s SER 31 N 0.16 1.08 -0.11 3.32 1.04 -0.47 -4.97 113.70 113.75 1ul3 s SER 31 Ca -0.13 -0.50 -0.21 0.00 0.48 0.00 0.00 55.95 55.58 1ul3 s SER 31 Cb -0.16 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1ul3 s SER 31 CO 0.07 -0.12 0.63 -1.61 0.98 0.00 0.00 173.24 173.19 1ul3 s GLU 32 N -1.40 4.36 0.11 4.02 2.02 -1.26 -0.20 118.70 126.35 1ul3 s GLU 32 Ca -0.06 0.71 0.01 0.00 0.02 0.00 0.00 54.97 55.65 1ul3 s GLU 32 Cb -0.09 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1ul3 s GLU 32 CO 0.01 0.01 -0.03 0.14 0.02 0.00 0.00 175.26 175.41 1ul3 s VAL 33 N 1.04 0.53 -0.25 2.63 -7.23 -0.68 -4.94 120.40 111.50 1ul3 s VAL 33 Ca 0.32 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1ul3 s VAL 33 Cb -0.17 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1ul3 s VAL 33 CO 0.14 -0.74 0.02 -0.13 -0.31 0.00 0.00 175.10 174.08 1ul3 s ARG 34 N -3.90 3.33 -0.34 4.82 0.52 -1.26 -0.56 118.95 121.57 1ul3 s ARG 34 Ca 0.16 -0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 54.54 1ul3 s ARG 34 Cb 0.06 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 1ul3 s ARG 34 CO -0.03 -0.27 0.40 0.20 0.02 0.00 0.00 175.30 175.62 1ul3 s GLY 35 N 1.51 1.88 -0.15 -3.53 0.00 -0.32 -4.93 107.32 101.79 1ul3 s GLY 35 Ca 0.05 -1.12 -0.18 0.00 0.00 0.00 0.00 44.72 43.47 1ul3 s GLY 35 CO -0.00 1.05 0.46 -1.36 0.00 0.00 0.00 173.10 173.25 1ul3 s PHE 36 N 2.11 3.46 0.33 1.90 0.40 -1.26 -2.10 117.98 122.82 1ul3 s PHE 36 Ca 0.14 0.81 0.07 0.00 -0.60 0.00 0.00 56.93 57.34 1ul3 s PHE 36 Cb -0.16 -2.56 -0.02 0.00 0.51 0.00 0.00 43.02 40.78 1ul3 s PHE 36 CO 0.12 0.09 0.30 1.97 0.70 0.00 0.00 175.22 178.40 1ul3 n PHE 55 N 4.02 -0.86 -3.79 0.36 1.16 -1.26 -5.23 117.46 111.86 1ul3 n PHE 55 Ca -0.07 -2.73 -0.13 0.00 -1.87 0.00 0.00 57.45 52.65 1ul3 n PHE 55 Cb 0.51 0.32 -0.11 0.00 -1.61 0.00 0.00 39.48 38.59 1ul3 n PHE 55 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ul3 s LEU 56 N 0.00 1.01 0.17 5.98 1.43 -0.89 -5.13 118.68 121.25 1ul3 s LEU 56 Ca 0.38 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 1ul3 s LEU 56 Cb 0.02 0.96 -0.08 0.00 0.03 0.00 0.00 46.19 47.12 1ul3 s LEU 56 CO 0.27 -0.19 1.33 -1.10 0.23 0.00 0.00 176.35 176.89 1ul3 s GLN 57 N -0.28 4.37 0.25 1.70 -1.52 -1.26 -1.17 119.66 121.75 1ul3 s GLN 57 Ca -0.04 2.05 0.02 0.00 -1.95 0.00 0.00 55.36 55.44 1ul3 s GLN 57 Cb -0.03 -3.21 -0.05 0.00 -0.22 0.00 0.00 33.01 29.49 1ul3 s GLN 57 CO 0.01 -0.30 0.07 0.15 -0.25 0.00 0.00 175.29 174.97 1ul3 s LYS 58 N 0.25 1.39 -0.03 2.91 -0.14 0.28 -4.35 119.74 120.04 1ul3 s LYS 58 Ca 0.59 -1.74 0.05 0.00 -1.36 0.00 0.00 55.97 53.50 1ul3 s LYS 58 Cb -0.36 -0.35 -0.01 0.00 -1.68 0.00 0.00 37.83 35.43 1ul3 s LYS 58 CO 0.36 -0.25 -0.17 -0.51 -0.76 0.00 0.00 175.35 174.02 1ul3 s LEU 59 N -3.31 1.94 -0.26 3.17 1.43 0.26 -1.69 118.68 120.22 1ul3 s LEU 59 Ca 0.35 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 53.02 1ul3 s LEU 59 Cb 0.08 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1ul3 s LEU 59 CO 0.12 0.17 0.15 -0.75 0.23 0.00 0.00 176.35 176.27 1ul3 s LYS 60 N -0.08 3.86 -0.19 1.70 2.20 0.72 -0.55 119.74 127.40 1ul3 s LYS 60 Ca -0.01 -0.37 -0.05 0.00 -0.36 0.00 0.00 55.97 55.18 1ul3 s LYS 60 Cb -0.10 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 1ul3 s LYS 60 CO 0.01 -0.15 -0.00 0.42 -0.36 0.00 0.00 175.35 175.27 1ul3 s ILE 61 N 1.63 4.05 -0.10 5.43 1.01 0.89 -1.36 121.20 132.74 1ul3 s ILE 61 Ca 0.07 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1ul3 s ILE 61 Cb -0.15 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.50 1ul3 s ILE 61 CO 0.08 0.45 -0.22 -1.61 0.00 0.00 0.00 174.94 173.64 1ul3 s GLU 62 N 0.77 3.09 0.06 2.79 2.02 0.30 -0.69 118.70 127.04 1ul3 s GLU 62 Ca 0.00 -0.84 -0.05 0.00 0.02 0.00 0.00 54.97 54.11 1ul3 s GLU 62 Cb -0.14 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.71 1ul3 s GLU 62 CO 0.02 0.20 0.07 0.96 0.02 0.00 0.00 175.26 176.53 1ul3 s ILE 63 N 0.31 0.17 -0.07 -1.63 -4.36 -0.64 -1.31 121.20 113.66 1ul3 s ILE 63 Ca -0.16 -1.38 0.03 0.00 -0.26 0.00 0.00 60.65 58.88 1ul3 s ILE 63 Cb -0.17 -1.24 0.01 0.00 1.25 0.00 0.00 42.46 42.31 1ul3 s ILE 63 CO 0.08 -0.76 -0.15 -0.69 0.24 0.00 0.00 174.94 173.66 1ul3 s VAL 64 N -3.43 1.37 0.11 8.37 1.01 -1.26 -0.67 120.40 125.90 1ul3 s VAL 64 Ca 0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 1ul3 s VAL 64 Cb 0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1ul3 s VAL 64 CO -0.08 0.41 0.06 0.68 0.00 0.00 0.00 175.10 176.16 1ul3 s VAL 65 N 0.52 0.13 0.57 2.92 -7.23 -0.53 -4.97 120.40 111.81 1ul3 s VAL 65 Ca -0.14 -1.82 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 1ul3 s VAL 65 Cb -0.16 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 1ul3 s VAL 65 CO 0.05 -0.58 1.09 -1.81 -0.31 0.00 0.00 175.10 173.54 1ul3 s ASP 66 N -3.01 5.72 0.28 4.85 1.01 -1.26 -0.35 116.67 123.92 1ul3 s ASP 66 Ca 0.19 2.00 0.02 0.00 0.71 0.00 0.00 52.55 55.47 1ul3 s ASP 66 Cb 0.07 -2.56 0.65 0.00 1.01 0.00 0.00 42.92 42.10 1ul3 s ASP 66 CO -0.01 -1.21 1.72 -0.33 0.21 0.00 0.00 175.17 175.54 1ul3 h GLU 67 N 0.82 0.46 0.00 8.23 3.07 -1.95 -0.39 114.58 124.82 1ul3 h GLU 67 Ca -0.48 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1ul3 h GLU 67 Cb 1.24 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.05 1ul3 h GLU 67 CO 0.57 0.30 0.00 0.41 -1.40 0.00 0.00 179.01 178.89 1ul3 n GLY 68 N -1.33 -0.62 0.01 -3.84 0.00 -1.26 -2.55 105.19 95.60 1ul3 n GLY 68 Ca 0.20 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1ul3 n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ul3 n GLN 69 N -1.30 0.62 -0.18 1.61 6.02 -0.17 -4.75 117.38 119.24 1ul3 n GLN 69 Ca 0.05 -0.11 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 1ul3 n GLN 69 Cb 0.08 -1.33 -0.07 0.00 1.02 0.00 0.00 30.24 29.94 1ul3 n GLN 69 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ul3 h VAL 70 N 0.00 0.04 -0.40 5.09 2.07 -1.37 0.15 116.25 121.83 1ul3 h VAL 70 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 1ul3 h VAL 70 Cb 0.80 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1ul3 h VAL 70 CO 0.00 0.00 0.09 0.44 0.02 0.00 0.00 177.57 178.12 1ul3 h ASP 71 N -0.30 0.02 -0.44 0.57 3.32 -1.85 0.24 116.42 117.98 1ul3 h ASP 71 Ca 0.13 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1ul3 h ASP 71 Cb 0.57 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1ul3 h ASP 71 CO -0.66 0.05 0.14 -0.03 -1.72 0.00 0.00 179.24 177.02 1ul3 h MET 72 N 0.22 0.68 -0.42 3.56 4.05 -1.75 -1.14 114.93 120.13 1ul3 h MET 72 Ca 0.19 -0.15 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 1ul3 h MET 72 Cb 0.23 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1ul3 h MET 72 CO -0.25 0.66 -0.00 0.28 0.23 0.00 0.00 176.91 177.83 1ul3 h VAL 73 N 0.57 1.26 -0.66 -5.77 2.07 -0.33 -2.06 116.25 111.33 1ul3 h VAL 73 Ca 0.14 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1ul3 h VAL 73 Cb 0.26 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1ul3 h VAL 73 CO -0.00 0.35 0.38 0.58 0.02 0.00 0.00 177.57 178.90 1ul3 h VAL 74 N 0.58 1.20 -0.68 2.57 2.07 -0.41 -0.36 116.25 121.22 1ul3 h VAL 74 Ca 0.12 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1ul3 h VAL 74 Cb 0.49 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1ul3 h VAL 74 CO 0.02 0.21 0.37 0.44 0.02 0.00 0.00 177.57 178.64 1ul3 h ASP 75 N 0.90 0.84 -0.13 0.57 3.32 -1.07 0.14 116.42 121.00 1ul3 h ASP 75 Ca 0.24 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1ul3 h ASP 75 Cb 0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1ul3 h ASP 75 CO -0.04 0.69 -0.29 0.11 -1.72 0.00 0.00 179.24 178.00 1ul3 h LYS 76 N 0.93 0.60 -0.33 3.56 6.56 -1.04 -1.60 116.57 125.24 1ul3 h LYS 76 Ca 0.24 -0.25 -0.05 0.00 -1.06 0.00 0.00 60.65 59.52 1ul3 h LYS 76 Cb 0.03 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1ul3 h LYS 76 CO -0.04 0.82 -0.00 1.25 -2.06 0.00 0.00 179.45 179.42 1ul3 h LEU 77 N 0.52 0.57 -0.10 2.94 5.85 -0.56 -1.61 115.31 122.92 1ul3 h LEU 77 Ca 0.07 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1ul3 h LEU 77 Cb 0.76 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1ul3 h LEU 77 CO 0.06 0.74 0.03 0.58 -0.34 0.00 0.00 178.44 179.51 1ul3 h VAL 78 N 0.38 1.18 -1.00 1.05 2.07 -0.58 -0.55 116.25 118.80 1ul3 h VAL 78 Ca 0.09 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1ul3 h VAL 78 Cb 0.45 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 1ul3 h VAL 78 CO 0.02 0.16 0.65 0.28 0.02 0.00 0.00 177.57 178.69 1ul3 h SER 79 N -0.02 1.06 0.03 0.57 0.02 -1.25 -1.26 113.55 112.69 1ul3 h SER 79 Ca 0.03 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.72 1ul3 h SER 79 Cb 0.22 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.55 1ul3 h SER 79 CO -0.00 0.70 -1.06 0.00 -1.14 0.00 0.00 176.83 175.33 1ul3 h ALA 80 N 1.44 0.13 0.00 3.77 0.00 -1.14 -3.35 119.26 120.11 1ul3 h ALA 80 Ca 0.41 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ul3 h ALA 80 Cb 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ul3 h ALA 80 CO -0.15 0.70 -0.52 0.00 0.00 0.00 0.00 179.25 179.28 1ul3 h ALA 81 N 0.42 0.75 -2.45 0.00 0.00 -0.94 -3.43 119.26 113.61 1ul3 h ALA 81 Ca -0.13 -0.06 -0.48 0.00 0.00 0.00 0.00 54.91 54.24 1ul3 h ALA 81 Cb 1.71 0.01 0.04 0.00 0.00 0.00 0.00 17.79 19.55 1ul3 h ALA 81 CO 0.21 0.07 0.41 -0.98 0.00 0.00 0.00 179.25 178.95 1ul3 s ARG 82 N -3.25 3.65 0.00 0.00 1.70 -0.49 -4.81 118.95 115.75 1ul3 s ARG 82 Ca 0.03 1.48 0.00 0.00 -0.47 0.00 0.00 55.73 56.77 1ul3 s ARG 82 Cb 0.07 -2.09 0.00 0.00 -0.57 0.00 0.00 34.95 32.36 1ul3 s ARG 82 CO 0.73 -0.58 0.00 0.25 -1.08 0.00 0.00 175.30 174.62 1ul3 n THR 83 N -1.04 0.00 0.00 4.99 -2.24 -1.26 -5.02 114.28 109.72 1ul3 n THR 83 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1ul3 n THR 83 Cb 0.52 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1ul3 n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ul3 n GLY 84 N 1.59 2.23 3.84 3.38 0.00 -1.26 -5.06 105.19 109.91 1ul3 n GLY 84 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ul3 n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ul3 s GLU 85 N -0.98 4.04 0.28 1.61 2.12 -1.26 -5.02 118.70 119.49 1ul3 s GLU 85 Ca 0.00 0.65 -0.30 0.00 0.36 0.00 0.00 54.97 55.67 1ul3 s GLU 85 Cb 0.00 -2.66 -0.12 0.00 0.26 0.00 0.00 34.13 31.61 1ul3 s GLU 85 CO 0.00 0.29 1.63 -0.89 -0.54 0.00 0.00 175.26 175.75 1ul3 n ILE 86 N 0.14 0.79 0.00 -3.70 5.41 -1.26 -2.98 119.36 117.76 1ul3 n ILE 86 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1ul3 n ILE 86 Cb 0.52 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 1ul3 n ILE 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ul3 n GLY 87 N 2.58 1.22 0.28 7.39 0.00 -1.26 -4.98 105.19 110.42 1ul3 n GLY 87 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.29 1ul3 n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ul3 h ASP 88 N 0.00 0.00 -3.72 1.61 3.32 -1.91 -3.44 116.42 112.28 1ul3 h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ul3 h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ul3 h ASP 88 CO 0.00 0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1ul3 n GLY 89 N -0.44 -1.41 3.26 2.75 0.00 -1.26 -4.32 105.19 103.77 1ul3 n GLY 89 Ca -0.01 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 1ul3 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ul3 s LYS 90 N 0.00 1.01 -0.08 1.61 1.02 -1.12 -4.99 119.74 117.19 1ul3 s LYS 90 Ca 0.00 -1.16 0.03 0.00 0.02 0.00 0.00 55.97 54.86 1ul3 s LYS 90 Cb 0.00 0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1ul3 s LYS 90 CO 0.00 -0.34 -0.17 0.42 -0.92 0.00 0.00 175.35 174.34 1ul3 s ILE 91 N -3.95 1.53 -0.12 2.17 1.01 -1.26 -0.60 121.20 119.97 1ul3 s ILE 91 Ca 0.15 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 60.08 1ul3 s ILE 91 Cb 0.05 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1ul3 s ILE 91 CO -0.03 0.44 -0.12 -0.36 0.00 0.00 0.00 174.94 174.87 1ul3 s PHE 92 N 0.49 2.83 -0.21 3.97 0.08 0.05 -4.97 117.98 120.22 1ul3 s PHE 92 Ca -0.16 -0.51 -0.04 0.00 0.12 0.00 0.00 56.93 56.34 1ul3 s PHE 92 Cb -0.16 -1.83 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 1ul3 s PHE 92 CO 0.06 -0.12 -0.03 0.42 -0.10 0.00 0.00 175.22 175.45 1ul3 s ILE 93 N 0.18 3.61 0.07 0.64 -1.09 -1.26 -1.38 121.20 121.96 1ul3 s ILE 93 Ca -0.07 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1ul3 s ILE 93 Cb -0.15 -2.63 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1ul3 s ILE 93 CO 0.05 0.42 -0.05 -0.94 -1.23 0.00 0.00 174.94 173.19 1ul3 s SER 94 N 1.26 0.80 0.43 3.58 1.04 -0.15 -4.95 113.70 115.70 1ul3 s SER 94 Ca 0.03 -0.91 -0.23 0.00 0.48 0.00 0.00 55.95 55.32 1ul3 s SER 94 Cb -0.14 0.13 -0.08 0.00 0.10 0.00 0.00 66.02 66.02 1ul3 s SER 94 CO -0.00 -0.47 1.12 -2.16 0.98 0.00 0.00 173.24 172.71 1ul3 s PRO 95 N -3.39 3.93 -0.04 4.02 0.04 -1.26 0.61 135.00 138.91 1ul3 s PRO 95 Ca 0.05 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.79 1ul3 s PRO 95 Cb 0.03 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1ul3 s PRO 95 CO -0.06 -0.38 -0.07 0.08 0.04 0.00 0.00 177.00 176.61 1ul3 s VAL 96 N -1.58 0.69 -0.14 -0.36 1.01 -1.04 -4.68 120.40 114.30 1ul3 s VAL 96 Ca 0.61 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.07 1ul3 s VAL 96 Cb -0.26 -0.65 -0.25 0.00 0.00 0.00 0.00 36.38 35.22 1ul3 s VAL 96 CO 0.32 0.24 0.65 0.44 0.00 0.00 0.00 175.10 176.75 1ul3 h ASP 97 N 6.74 0.10 -5.13 3.32 3.32 -1.87 -3.41 116.42 119.49 1ul3 h ASP 97 Ca -0.35 -0.87 -0.11 0.00 0.02 0.00 0.00 57.03 55.71 1ul3 h ASP 97 Cb 1.17 -0.03 -0.16 0.00 0.22 0.00 0.00 39.33 40.52 1ul3 h ASP 97 CO 0.48 1.21 -0.51 -0.44 -1.72 0.00 0.00 179.24 178.26 1ul3 s SER 98 N -6.53 0.22 -0.10 6.45 0.01 -1.26 -1.23 113.70 111.26 1ul3 s SER 98 Ca -0.20 -0.65 0.01 0.00 1.31 0.00 0.00 55.95 56.41 1ul3 s SER 98 Cb 0.00 0.25 0.02 0.00 0.21 0.00 0.00 66.02 66.50 1ul3 s SER 98 CO 0.69 -0.58 -0.10 -0.69 0.41 0.00 0.00 173.24 172.97 1ul3 s VAL 99 N -3.17 1.12 -0.14 3.43 1.01 -0.43 -4.98 120.40 117.23 1ul3 s VAL 99 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 1ul3 s VAL 99 Cb 0.02 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1ul3 s VAL 99 CO -0.07 0.37 -0.12 -0.69 0.00 0.00 0.00 175.10 174.59 1ul3 s VAL 100 N 1.34 3.12 -0.38 2.92 1.01 -1.26 -0.71 120.40 126.44 1ul3 s VAL 100 Ca -0.01 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 1ul3 s VAL 100 Cb -0.14 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1ul3 s VAL 100 CO -0.05 0.52 0.58 -0.60 0.00 0.00 0.00 175.10 175.55 1ul3 s ARG 101 N 0.44 3.53 0.19 2.72 3.52 0.17 -4.96 118.95 124.56 1ul3 s ARG 101 Ca -0.09 -0.17 -0.11 0.00 -0.13 0.00 0.00 55.73 55.22 1ul3 s ARG 101 Cb -0.16 -3.85 0.16 0.00 -1.56 0.00 0.00 34.95 29.55 1ul3 s ARG 101 CO 0.05 -0.77 1.82 0.82 -0.81 0.00 0.00 175.30 176.41 1ul3 h ILE 102 N 5.70 1.04 -0.88 4.11 2.04 -1.95 0.38 117.51 127.96 1ul3 h ILE 102 Ca -0.27 -0.24 0.11 0.00 1.00 0.00 0.00 64.86 65.46 1ul3 h ILE 102 Cb 1.11 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 1ul3 h ILE 102 CO 0.82 0.13 0.52 -0.09 0.00 0.00 0.00 178.15 179.53 1ul3 h ARG 103 N 0.71 0.81 0.00 2.37 2.43 -1.98 -2.96 114.38 115.75 1ul3 h ARG 103 Ca 0.25 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1ul3 h ARG 103 Cb 0.06 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1ul3 h ARG 103 CO -0.12 0.53 -1.33 0.25 -1.51 0.00 0.00 179.97 177.79 1ul3 n THR 104 N -4.72 0.00 -1.00 0.20 -2.24 -1.14 -4.97 114.28 100.41 1ul3 n THR 104 Ca 0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1ul3 n THR 104 Cb 0.32 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1ul3 n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ul3 n GLY 105 N 1.44 0.40 3.68 3.38 0.00 0.13 -4.98 105.19 109.24 1ul3 n GLY 105 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1ul3 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ul3 s GLU 106 N -0.47 4.34 -0.25 1.61 2.12 -1.14 -4.83 118.70 120.09 1ul3 s GLU 106 Ca 0.00 1.58 -0.07 0.00 0.36 0.00 0.00 54.97 56.84 1ul3 s GLU 106 Cb 0.00 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 1ul3 s GLU 106 CO 0.00 -0.47 0.07 0.21 -0.54 0.00 0.00 175.26 174.53 1ul3 s LYS 107 N 2.42 3.66 -0.32 4.30 2.20 -1.26 -0.66 119.74 130.09 1ul3 s LYS 107 Ca 0.53 -0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 55.59 1ul3 s LYS 107 Cb -0.22 -3.32 0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1ul3 s LYS 107 CO 0.19 -0.17 0.12 -0.51 -0.36 0.00 0.00 175.35 174.61 1ul3 s ASP 108 N 1.57 5.33 -0.04 1.43 1.01 0.11 -4.98 116.67 121.10 1ul3 s ASP 108 Ca 0.06 -0.83 0.06 0.00 0.71 0.00 0.00 52.55 52.55 1ul3 s ASP 108 Cb -0.15 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 1ul3 s ASP 108 CO 0.04 -0.26 -0.22 -0.89 0.21 0.00 0.00 175.17 174.05 1ul3 s THR 109 N 1.50 2.40 0.03 -1.27 2.01 -1.26 -1.31 115.64 117.74 1ul3 s THR 109 Ca 0.02 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1ul3 s THR 109 Cb -0.18 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1ul3 s THR 109 CO 0.04 0.58 -0.08 -1.61 -0.69 0.00 0.00 174.62 172.86 1ul3 s GLU 110 N -0.53 0.55 0.56 4.92 2.02 -0.36 -5.02 118.70 120.84 1ul3 s GLU 110 Ca 0.07 -0.56 -0.21 0.00 0.02 0.00 0.00 54.97 54.30 1ul3 s GLU 110 Cb -0.11 -0.43 -0.04 0.00 0.10 0.00 0.00 34.13 33.64 1ul3 s GLU 110 CO 0.01 0.10 1.28 0.00 0.02 0.00 0.00 175.26 176.66 1ul3 s ALA 111 N -0.86 2.71 -2.01 5.21 0.00 -1.26 -4.64 121.76 120.91 1ul3 s ALA 111 Ca -0.04 1.16 0.32 0.00 0.00 0.00 0.00 51.96 53.40 1ul3 s ALA 111 Cb -0.07 -3.50 1.90 0.00 0.00 0.00 0.00 23.12 21.45 1ul3 s ALA 111 CO 0.00 -1.23 2.22 -0.89 0.00 0.00 0.00 175.76 175.87