#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omj n SER 2 N 0.00 -7.22 -4.28 1.61 3.41 -1.26 -5.02 113.62 100.86 2omj n SER 2 Ca 0.00 0.80 -0.26 0.00 -0.26 0.00 0.00 58.87 59.15 2omj n SER 2 Cb 0.00 -3.49 -0.14 0.00 -0.26 0.00 0.00 64.21 60.32 2omj n SER 2 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2omj s HIS 3 N -1.44 1.91 -0.45 7.33 0.00 -1.26 -4.89 115.29 116.48 2omj s HIS 3 Ca 0.05 -0.39 -0.14 0.00 -3.00 0.00 0.00 55.06 51.58 2omj s HIS 3 Cb -0.01 -1.11 0.02 0.00 -4.00 0.00 0.00 32.58 27.48 2omj s HIS 3 CO 0.47 0.15 0.60 -1.33 -1.00 0.00 0.00 174.74 173.63 2omj n MET 4 N 1.56 -2.24 0.00 -0.38 0.00 -1.26 -4.95 117.12 109.84 2omj n MET 4 Ca -0.18 2.04 0.00 0.00 0.00 0.00 0.00 57.70 59.56 2omj n MET 4 Cb 0.53 -5.63 0.00 0.00 0.00 0.00 0.00 33.22 28.12 2omj n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2omj n GLY 5 N -0.45 -0.47 3.07 3.03 0.00 -1.26 -5.09 105.19 104.02 2omj n GLY 5 Ca 0.11 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2omj n GLY 5 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2omj s LEU 6 N -4.51 4.28 0.03 0.99 1.43 -1.26 -5.00 118.68 114.64 2omj s LEU 6 Ca 0.00 -1.76 0.01 0.00 -1.03 0.00 0.00 54.13 51.35 2omj s LEU 6 Cb 0.00 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2omj s LEU 6 CO 0.00 -0.32 0.10 -0.69 0.23 0.00 0.00 176.35 175.67 2omj s VAL 7 N 1.05 4.77 0.02 -1.59 1.01 -1.26 -5.09 120.40 119.31 2omj s VAL 7 Ca 0.02 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2omj s VAL 7 Cb -0.20 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2omj s VAL 7 CO -0.05 0.25 -0.15 0.00 0.00 0.00 0.00 175.10 175.14 2omj s GLN 8 N -2.04 1.10 -0.04 2.72 -2.07 -1.26 -3.27 119.66 114.80 2omj s GLN 8 Ca 0.26 -0.71 -0.04 0.00 -1.82 0.00 0.00 55.36 53.05 2omj s GLN 8 Cb -0.12 -1.11 0.01 0.00 -1.09 0.00 0.00 33.01 30.69 2omj s GLN 8 CO 0.18 0.29 0.12 0.50 -1.32 0.00 0.00 175.29 175.07 2omj s ARG 9 N -0.88 0.16 -0.02 9.60 6.06 -0.87 -5.02 118.95 127.98 2omj s ARG 9 Ca 0.04 0.14 -0.30 0.00 -2.50 0.00 0.00 55.73 53.11 2omj s ARG 9 Cb -0.07 0.08 -0.03 0.00 0.06 0.00 0.00 34.95 34.99 2omj s ARG 9 CO 0.01 -0.02 1.03 0.00 -2.50 0.00 0.00 175.30 173.81 2omj s VAL 11 N 1.30 1.43 -0.34 0.00 0.11 -1.23 -5.00 120.40 116.66 2omj s VAL 11 Ca 0.52 -0.87 -0.12 0.00 -2.93 0.00 0.00 61.98 58.58 2omj s VAL 11 Cb -0.22 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.07 2omj s VAL 11 CO 0.26 0.15 0.23 -0.63 -3.33 0.00 0.00 175.10 171.77 2omj s ILE 12 N 1.49 5.09 0.01 7.04 1.01 -1.26 -3.13 121.20 131.45 2omj s ILE 12 Ca -0.01 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 2omj s ILE 12 Cb -0.16 -3.65 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 2omj s ILE 12 CO -0.08 -0.04 0.25 -0.63 0.00 0.00 0.00 174.94 174.44 2omj s ILE 13 N 1.68 5.33 -0.16 2.92 1.01 -0.78 -4.46 121.20 126.75 2omj s ILE 13 Ca 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 2omj s ILE 13 Cb -0.18 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 2omj s ILE 13 CO 0.09 0.35 -0.13 0.00 0.00 0.00 0.00 174.94 175.25 2omj s GLN 14 N -1.82 3.30 -0.04 2.79 -2.07 -1.26 -2.28 119.66 118.29 2omj s GLN 14 Ca 0.28 -0.71 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 2omj s GLN 14 Cb -0.13 -2.68 -0.06 0.00 -1.09 0.00 0.00 33.01 29.05 2omj s GLN 14 CO 0.17 0.05 1.68 0.21 -1.32 0.00 0.00 175.29 176.09 2omj s LYS 15 N 0.75 4.18 0.26 9.60 2.20 0.52 -4.69 119.74 132.56 2omj s LYS 15 Ca -0.05 2.24 -0.02 0.00 -0.36 0.00 0.00 55.97 57.78 2omj s LYS 15 Cb -0.15 -3.98 0.06 0.00 -1.51 0.00 0.00 37.83 32.25 2omj s LYS 15 CO 0.01 -0.85 0.35 -0.25 -0.36 0.00 0.00 175.35 174.26 2omj n ASP 16 N 7.05 0.27 0.21 1.43 8.00 -1.25 -4.85 116.55 127.41 2omj n ASP 16 Ca 0.17 -1.28 0.11 0.00 0.71 0.00 0.00 54.79 54.50 2omj n ASP 16 Cb 0.42 -0.25 0.66 0.00 -0.02 0.00 0.00 41.12 41.94 2omj n ASP 16 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2omj h ASP 17 N -0.33 0.00 0.29 -2.24 3.58 -2.05 -2.22 116.42 113.44 2omj h ASP 17 Ca -0.12 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.01 2omj h ASP 17 Cb 0.38 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.37 2omj h ASP 17 CO 0.11 0.00 -1.99 0.59 -2.88 0.00 0.00 179.24 175.07 2omj n ASN 18 N -4.48 0.58 0.00 2.28 3.02 -1.26 -5.10 115.26 110.30 2omj n ASN 18 Ca -0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2omj n ASN 18 Cb 0.19 0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2omj n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2omj n GLY 19 N 1.65 0.13 3.56 7.41 0.00 -0.84 -4.92 105.19 112.18 2omj n GLY 19 Ca -0.24 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.13 2omj n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2omj s PHE 20 N 0.00 2.38 0.44 1.61 0.40 -1.26 -3.84 117.98 117.70 2omj s PHE 20 Ca 0.00 -0.41 0.11 0.00 -0.60 0.00 0.00 56.93 56.02 2omj s PHE 20 Cb 0.00 -4.63 0.96 0.00 0.51 0.00 0.00 43.02 39.86 2omj s PHE 20 CO 0.00 -2.00 2.04 0.78 0.70 0.00 0.00 175.22 176.74 2omj h GLY 21 N 13.17 0.29 -4.57 4.36 0.00 -1.97 -3.43 103.07 110.92 2omj h GLY 21 Ca -0.02 -0.13 -0.52 0.00 0.00 0.00 0.00 47.33 46.66 2omj h GLY 21 CO 1.35 0.12 0.98 1.47 0.00 0.00 0.00 176.54 180.47 2omj n LEU 22 N -4.43 4.12 -4.72 3.11 -0.00 -1.26 -4.61 117.00 109.22 2omj n LEU 22 Ca -0.00 1.08 -0.35 0.00 -0.00 0.00 0.00 56.01 56.74 2omj n LEU 22 Cb 0.14 -1.58 -0.08 0.00 -0.00 0.00 0.00 43.42 41.89 2omj n LEU 22 CO 0.36 0.18 -0.22 -0.89 -0.00 0.00 0.00 177.39 176.82 2omj s THR 23 N 0.85 5.06 0.02 1.47 2.01 0.23 -4.93 115.64 120.36 2omj s THR 23 Ca 0.72 0.06 0.07 0.00 0.31 0.00 0.00 61.69 62.85 2omj s THR 23 Cb -0.50 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2omj s THR 23 CO 0.37 0.50 -0.20 0.68 -0.69 0.00 0.00 174.62 175.28 2omj s VAL 24 N -0.03 2.65 -0.13 3.82 -7.23 -1.26 -2.00 120.40 116.22 2omj s VAL 24 Ca 0.08 -1.14 -0.08 0.00 -1.81 0.00 0.00 61.98 59.03 2omj s VAL 24 Cb -0.12 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.80 2omj s VAL 24 CO 0.00 0.41 0.31 -0.94 -0.31 0.00 0.00 175.10 174.57 2omj s SER 25 N -1.21 -0.35 -0.29 4.85 1.04 0.13 -4.93 113.70 112.93 2omj s SER 25 Ca 0.13 0.66 -0.18 0.00 0.48 0.00 0.00 55.95 57.04 2omj s SER 25 Cb -0.10 0.57 0.17 0.00 0.10 0.00 0.00 66.02 66.76 2omj s SER 25 CO 0.03 -0.16 1.12 -0.83 0.98 0.00 0.00 173.24 174.38 2omj s GLY 26 N 1.03 0.22 0.00 7.32 0.00 -1.26 -3.34 107.32 111.29 2omj s GLY 26 Ca -0.07 3.34 0.00 0.00 0.00 0.00 0.00 44.72 47.99 2omj s GLY 26 CO -0.08 2.49 0.53 1.22 0.00 0.00 0.00 173.10 177.26 2omj n ASP 27 N 3.11 0.00 -0.05 1.64 8.00 -1.26 -4.59 116.55 123.40 2omj n ASP 27 Ca -0.17 0.53 -0.02 0.00 0.71 0.00 0.00 54.79 55.84 2omj n ASP 27 Cb 0.57 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.64 2omj n ASP 27 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2omj h ASN 28 N 0.00 0.00 -1.50 -2.24 2.35 -1.95 -3.46 115.58 108.79 2omj h ASN 28 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2omj h ASN 28 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2omj h ASN 28 CO 0.00 0.54 0.00 -0.81 -1.65 0.00 0.00 177.43 175.51 2omj n PRO 29 N -4.32 0.26 -4.18 0.81 -0.04 -1.26 -3.98 135.00 122.29 2omj n PRO 29 Ca -0.03 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.10 2omj n PRO 29 Cb 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.41 2omj n PRO 29 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2omj s VAL 30 N -0.74 1.99 -0.04 0.52 1.01 -1.26 -4.33 120.40 117.55 2omj s VAL 30 Ca 0.00 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2omj s VAL 30 Cb 0.00 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.58 2omj s VAL 30 CO 0.00 0.53 -0.14 0.12 0.00 0.00 0.00 175.10 175.61 2omj s PHE 31 N 1.25 1.42 -0.23 5.22 2.19 -1.21 -1.31 117.98 125.30 2omj s PHE 31 Ca 0.03 -0.39 -0.17 0.00 0.33 0.00 0.00 56.93 56.74 2omj s PHE 31 Cb -0.13 -0.97 -0.03 0.00 -1.31 0.00 0.00 43.02 40.57 2omj s PHE 31 CO -0.11 -0.14 0.44 0.08 1.83 0.00 0.00 175.22 177.31 2omj s VAL 32 N 0.11 5.15 -0.26 3.12 1.01 0.39 0.19 120.40 130.11 2omj s VAL 32 Ca -0.04 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 2omj s VAL 32 Cb -0.10 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.37 2omj s VAL 32 CO 0.02 0.19 -0.19 1.67 0.00 0.00 0.00 175.10 176.78 2omj n GLN 33 N 4.91 0.58 -4.47 2.72 7.27 -0.85 -1.30 117.38 126.25 2omj n GLN 33 Ca -0.07 0.35 -0.29 0.00 0.07 0.00 0.00 57.00 57.06 2omj n GLN 33 Cb 0.51 -1.57 -0.13 0.00 2.41 0.00 0.00 30.24 31.46 2omj n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2omj s SER 34 N -7.31 3.51 0.02 1.69 0.01 -0.96 -3.68 113.70 106.98 2omj s SER 34 Ca -0.36 -0.64 0.02 0.00 1.31 0.00 0.00 55.95 56.28 2omj s SER 34 Cb 0.12 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.97 2omj s SER 34 CO 0.52 0.20 -0.06 0.68 0.41 0.00 0.00 173.24 174.99 2omj s VAL 35 N -1.03 0.43 -0.06 3.43 -7.23 -1.26 -0.60 120.40 114.08 2omj s VAL 35 Ca 0.15 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 2omj s VAL 35 Cb -0.10 -0.45 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 2omj s VAL 35 CO 0.06 -0.17 1.54 -0.75 -0.31 0.00 0.00 175.10 175.48 2omj s LYS 36 N -0.92 4.21 0.09 4.82 2.47 -1.26 -4.81 119.74 124.34 2omj s LYS 36 Ca -0.05 2.07 -0.22 0.00 -1.56 0.00 0.00 55.97 56.21 2omj s LYS 36 Cb -0.06 -3.86 -0.07 0.00 -1.46 0.00 0.00 37.83 32.38 2omj s LYS 36 CO 0.00 -0.77 0.66 -2.00 0.16 0.00 0.00 175.35 173.40 2omj s GLU 37 N 3.61 4.37 -1.70 4.03 -6.30 -1.26 -1.11 118.70 120.35 2omj s GLU 37 Ca 0.69 0.91 -0.01 0.00 -2.50 0.00 0.00 54.97 54.06 2omj s GLU 37 Cb -0.31 -3.27 0.00 0.00 0.00 0.00 0.00 34.13 30.55 2omj s GLU 37 CO 0.26 0.55 0.09 -3.47 0.02 0.00 0.00 175.26 172.71 2omj n ASP 38 N 1.89 -5.77 0.00 -1.70 -0.08 -1.26 -4.89 116.55 104.73 2omj n ASP 38 Ca -0.08 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 2omj n ASP 38 Cb 0.50 -4.79 0.00 0.00 2.34 0.00 0.00 41.12 39.17 2omj n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2omj n GLY 39 N -1.07 5.45 0.19 0.27 0.00 -1.25 -4.95 105.19 103.83 2omj n GLY 39 Ca -0.22 -1.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.56 2omj n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omj h ALA 40 N 1.00 0.58 -0.23 4.61 0.00 -1.83 0.37 119.26 123.75 2omj h ALA 40 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2omj h ALA 40 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2omj h ALA 40 CO 0.00 0.01 0.13 0.00 0.00 0.00 0.00 179.25 179.39 2omj h ALA 41 N 1.17 0.30 -0.38 0.00 0.00 -1.88 0.36 119.26 118.83 2omj h ALA 41 Ca 0.17 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2omj h ALA 41 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2omj h ALA 41 CO -0.05 -0.16 -0.01 1.98 0.00 0.00 0.00 179.25 181.01 2omj h MET 42 N 0.27 0.67 -0.15 0.00 -1.53 -0.88 -1.27 114.93 112.03 2omj h MET 42 Ca 0.08 -0.22 -0.09 0.00 -3.44 0.00 0.00 59.70 56.04 2omj h MET 42 Cb 0.07 -0.06 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 2omj h MET 42 CO -0.01 0.78 -0.30 0.00 0.14 0.00 0.00 176.91 177.52 2omj h ARG 43 N 0.49 0.29 0.00 0.39 2.47 -0.13 -2.29 114.38 115.60 2omj h ARG 43 Ca 0.11 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2omj h ARG 43 Cb 0.48 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2omj h ARG 43 CO 0.02 0.56 0.00 0.00 0.56 0.00 0.00 179.97 181.11 2omj h ALA 44 N 1.44 1.00 0.00 0.04 0.00 -0.09 -3.46 119.26 118.19 2omj h ALA 44 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2omj h ALA 44 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2omj h ALA 44 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2omj n GLY 45 N 0.16 0.92 3.85 0.00 0.00 -0.86 -4.04 105.19 105.23 2omj n GLY 45 Ca 0.02 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2omj n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2omj s VAL 46 N -2.00 4.51 0.02 1.61 1.01 -0.51 -4.97 120.40 120.07 2omj s VAL 46 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 61.98 62.92 2omj s VAL 46 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2omj s VAL 46 CO 0.00 -0.98 -0.11 -1.10 0.00 0.00 0.00 175.10 172.91 2omj s GLN 47 N -4.89 0.77 0.07 2.72 -0.21 -1.26 -4.79 119.66 112.08 2omj s GLN 47 Ca 0.57 -0.61 -0.31 0.00 0.02 0.00 0.00 55.36 55.03 2omj s GLN 47 Cb -0.12 -0.73 -0.08 0.00 1.00 0.00 0.00 33.01 33.08 2omj s GLN 47 CO 0.49 0.18 1.67 0.99 -2.12 0.00 0.00 175.29 176.50 2omj s THR 48 N -0.73 2.99 -0.11 -0.19 2.01 -1.26 -2.98 115.64 115.37 2omj s THR 48 Ca -0.00 0.45 -0.00 0.00 0.31 0.00 0.00 61.69 62.45 2omj s THR 48 Cb -0.07 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2omj s THR 48 CO 0.01 -0.00 0.09 0.61 -0.69 0.00 0.00 174.62 174.63 2omj n GLY 49 N 4.01 0.53 3.71 4.40 0.00 -0.42 -5.03 105.19 112.39 2omj n GLY 49 Ca 0.16 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 2omj n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2omj s ASP 50 N -3.08 5.43 0.25 1.61 2.15 -0.93 -4.90 116.67 117.19 2omj s ASP 50 Ca 0.02 0.20 -0.07 0.00 0.43 0.00 0.00 52.55 53.12 2omj s ASP 50 Cb -0.01 -1.59 -0.06 0.00 -0.30 0.00 0.00 42.92 40.96 2omj s ASP 50 CO 0.06 0.38 0.53 -0.13 -0.17 0.00 0.00 175.17 175.84 2omj s ARG 51 N -0.87 3.70 -0.14 4.34 0.52 -0.84 -0.46 118.95 125.20 2omj s ARG 51 Ca 0.13 0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.41 2omj s ARG 51 Cb -0.11 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.65 2omj s ARG 51 CO 0.03 0.29 0.00 0.42 0.02 0.00 0.00 175.30 176.05 2omj s ILE 52 N -1.92 4.27 -0.14 1.52 -1.09 -0.43 0.07 121.20 123.48 2omj s ILE 52 Ca 0.45 -0.24 0.07 0.00 -2.23 0.00 0.00 60.65 58.71 2omj s ILE 52 Cb -0.11 -2.86 -0.14 0.00 -1.58 0.00 0.00 42.46 37.77 2omj s ILE 52 CO 0.26 0.52 -0.03 -0.38 -1.23 0.00 0.00 174.94 174.08 2omj n ILE 53 N 3.06 0.90 -3.75 2.92 2.08 0.21 -4.60 119.36 120.17 2omj n ILE 53 Ca -0.18 -0.47 -0.11 0.00 0.56 0.00 0.00 62.75 62.56 2omj n ILE 53 Cb 0.53 -0.82 -0.07 0.00 -0.75 0.00 0.00 39.64 38.53 2omj n ILE 53 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2omj s LYS 54 N -2.31 0.88 -0.17 0.38 1.02 -0.96 -4.48 119.74 114.10 2omj s LYS 54 Ca -0.12 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.17 2omj s LYS 54 Cb 0.04 0.38 0.06 0.00 -0.52 0.00 0.00 37.83 37.80 2omj s LYS 54 CO 0.47 -0.30 0.10 0.14 -0.92 0.00 0.00 175.35 174.84 2omj s VAL 55 N -3.15 -0.12 -1.28 3.17 -7.23 0.14 0.44 120.40 112.37 2omj s VAL 55 Ca -0.01 -0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 59.96 2omj s VAL 55 Cb 0.01 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.39 2omj s VAL 55 CO -0.07 -0.25 1.11 0.59 -0.31 0.00 0.00 175.10 176.17 2omj n ASN 56 N 5.29 -5.41 -0.72 4.85 3.02 0.27 -2.06 115.26 120.49 2omj n ASN 56 Ca -0.07 -0.53 -0.07 0.00 -0.03 0.00 0.00 54.58 53.88 2omj n ASN 56 Cb 0.49 -4.89 -0.01 0.00 -0.61 0.00 0.00 39.78 34.76 2omj n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2omj n GLY 57 N -1.80 0.40 2.66 7.41 0.00 -1.26 -5.02 105.19 107.58 2omj n GLY 57 Ca -0.05 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2omj n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2omj s THR 58 N -2.32 -0.03 0.00 2.61 -4.23 -0.88 -5.07 115.64 105.72 2omj s THR 58 Ca 0.00 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 2omj s THR 58 Cb 0.00 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.48 2omj s THR 58 CO 0.00 0.03 0.67 0.18 -0.54 0.00 0.00 174.62 174.96 2omj n LEU 59 N 5.27 0.14 -1.99 4.79 4.77 -1.26 0.23 117.00 128.94 2omj n LEU 59 Ca -0.05 0.69 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 2omj n LEU 59 Cb 0.50 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2omj n LEU 59 CO 0.08 -0.24 -0.38 0.52 -1.33 0.00 0.00 177.39 176.04 2omj n VAL 60 N -1.21-11.06 -1.71 4.08 0.31 -1.26 -4.44 118.33 103.04 2omj n VAL 60 Ca 0.00 2.55 -0.00 0.00 -0.01 0.00 0.00 64.34 66.87 2omj n VAL 60 Cb 0.00 -5.32 0.17 0.00 -0.91 0.00 0.00 33.84 27.77 2omj n VAL 60 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2omj n THR 61 N 1.45 2.24 -3.15 2.52 -1.04 -1.26 -4.93 114.28 110.10 2omj n THR 61 Ca 0.00 -3.41 0.05 0.00 -2.04 0.00 0.00 64.05 58.65 2omj n THR 61 Cb 0.00 -0.40 -0.01 0.00 -1.82 0.00 0.00 70.33 68.10 2omj n THR 61 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 2omj s HIS 62 N -3.26 -0.89 -0.08 -1.42 -3.43 -1.26 -4.75 115.29 100.19 2omj s HIS 62 Ca 0.41 0.80 -0.31 0.00 -0.80 0.00 0.00 55.06 55.15 2omj s HIS 62 Cb 0.38 0.26 0.12 0.00 -1.43 0.00 0.00 32.58 31.90 2omj s HIS 62 CO -0.05 -0.50 1.07 0.45 -2.00 0.00 0.00 174.74 173.71 2omj s SER 63 N 2.92 -0.22 0.54 7.38 0.15 -1.26 -5.13 113.70 118.09 2omj s SER 63 Ca 0.11 -0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.71 2omj s SER 63 Cb -0.09 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 2omj s SER 63 CO -0.17 -0.44 0.78 0.21 1.20 0.00 0.00 173.24 174.81 2omj s ASN 64 N -2.43 5.39 0.22 5.45 2.47 -1.26 -4.80 114.94 119.97 2omj s ASN 64 Ca 0.08 0.14 -0.09 0.00 0.42 0.00 0.00 52.86 53.41 2omj s ASN 64 Cb -0.00 -1.09 0.20 0.00 -1.45 0.00 0.00 41.25 38.90 2omj s ASN 64 CO -0.06 -1.07 1.88 -0.74 -3.72 0.00 0.00 177.10 173.39 2omj h HIS 65 N 0.08 0.97 -0.74 0.43 6.17 -1.90 -1.99 115.15 118.17 2omj h HIS 65 Ca -0.43 0.02 0.09 0.00 0.71 0.00 0.00 60.37 60.76 2omj h HIS 65 Cb 1.29 -0.33 -0.07 0.00 2.52 0.00 0.00 27.41 30.82 2omj h HIS 65 CO 0.39 0.59 0.40 1.25 0.71 0.00 0.00 177.93 181.27 2omj h LEU 66 N 1.03 0.55 -0.69 0.26 5.85 -1.98 0.33 115.31 120.66 2omj h LEU 66 Ca 0.30 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 2omj h LEU 66 Cb -0.06 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2omj h LEU 66 CO -0.08 0.32 0.14 -0.33 -0.34 0.00 0.00 178.44 178.15 2omj h GLU 67 N 0.68 1.12 -0.21 1.25 5.08 -1.81 0.24 114.58 120.94 2omj h GLU 67 Ca 0.35 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2omj h GLU 67 Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2omj h GLU 67 CO -0.24 1.01 0.02 0.28 -1.00 0.00 0.00 179.01 179.07 2omj h VAL 68 N 1.05 1.24 -0.60 3.13 2.07 -0.48 0.37 116.25 123.02 2omj h VAL 68 Ca 0.21 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 2omj h VAL 68 Cb 0.41 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 2omj h VAL 68 CO 0.01 0.25 0.11 1.62 0.02 0.00 0.00 177.57 179.58 2omj h VAL 69 N 0.14 1.26 -0.52 2.57 3.04 -0.25 0.23 116.25 122.72 2omj h VAL 69 Ca 0.06 -0.97 -0.09 0.00 -1.01 0.00 0.00 66.70 64.69 2omj h VAL 69 Cb 0.36 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 30.34 2omj h VAL 69 CO 0.01 0.36 -0.04 0.11 -1.01 0.00 0.00 177.57 176.99 2omj h LYS 70 N 0.89 0.91 -0.13 4.17 6.56 -0.40 0.44 116.57 129.02 2omj h LYS 70 Ca 0.18 -0.29 -0.03 0.00 -1.06 0.00 0.00 60.65 59.45 2omj h LYS 70 Cb 0.40 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 31.98 2omj h LYS 70 CO 0.01 0.93 -0.05 -0.07 -2.06 0.00 0.00 179.45 178.21 2omj h LEU 71 N 0.83 0.27 -0.60 2.94 3.38 0.11 0.31 115.31 122.56 2omj h LEU 71 Ca 0.15 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 2omj h LEU 71 Cb 0.56 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2omj h LEU 71 CO 0.03 0.61 -0.30 -0.29 0.09 0.00 0.00 178.44 178.58 2omj h ILE 72 N -0.07 1.28 0.00 1.22 2.10 -0.44 -2.91 117.51 118.69 2omj h ILE 72 Ca 0.03 -1.45 -0.10 0.00 1.08 0.00 0.00 64.86 64.42 2omj h ILE 72 Cb 0.51 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.55 2omj h ILE 72 CO 0.02 0.48 -0.48 0.50 -1.08 0.00 0.00 178.15 177.58 2omj h LYS 73 N 0.66 0.00 -5.27 2.19 3.64 -0.08 -3.41 116.57 114.31 2omj h LYS 73 Ca 0.07 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 2omj h LYS 73 Cb 0.84 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 2omj h LYS 73 CO 0.07 0.48 0.45 0.45 -2.27 0.00 0.00 179.45 178.64 2omj s SER 74 N -6.51 4.07 0.00 4.20 0.15 0.11 -4.57 113.70 111.15 2omj s SER 74 Ca 0.01 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.46 2omj s SER 74 Cb 0.10 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2omj s SER 74 CO 0.72 -4.08 0.00 0.61 1.20 0.00 0.00 173.24 171.69 2omj n GLY 75 N 6.05 3.01 0.07 9.45 0.00 -1.26 -4.94 105.19 117.57 2omj n GLY 75 Ca 0.43 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 2omj n GLY 75 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2omj h SER 76 N 0.00 0.08 -3.71 1.61 0.02 -1.90 -3.43 113.55 106.23 2omj h SER 76 Ca 0.00 -0.49 -0.63 0.00 -0.84 0.00 0.00 61.79 59.84 2omj h SER 76 Cb 0.00 -0.02 -0.14 0.00 0.14 0.00 0.00 62.40 62.37 2omj h SER 76 CO 0.00 0.55 -0.25 -0.31 -1.14 0.00 0.00 176.83 175.68 2omj s TYR 77 N -4.26 3.26 -0.02 3.45 1.51 -1.26 -0.36 117.35 119.67 2omj s TYR 77 Ca -0.16 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 56.33 2omj s TYR 77 Cb 0.02 -2.55 0.01 0.00 -0.11 0.00 0.00 41.96 39.33 2omj s TYR 77 CO 0.69 -0.20 -0.03 0.54 -1.11 0.00 0.00 175.55 175.43 2omj s VAL 78 N 1.98 0.38 -0.23 0.71 0.11 -0.97 -5.03 120.40 117.35 2omj s VAL 78 Ca 0.15 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2omj s VAL 78 Cb -0.16 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2omj s VAL 78 CO 0.10 0.16 -0.08 0.00 -3.33 0.00 0.00 175.10 171.95 2omj s ALA 79 N 0.53 2.68 -0.07 1.54 0.00 -1.26 -1.86 121.76 123.31 2omj s ALA 79 Ca -0.06 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2omj s ALA 79 Cb -0.09 -1.61 0.02 0.00 0.00 0.00 0.00 23.12 21.43 2omj s ALA 79 CO -0.00 -0.62 -0.08 -0.48 0.00 0.00 0.00 175.76 174.57 2omj s LEU 80 N 1.37 1.41 0.13 0.00 0.05 -1.19 0.97 118.68 121.42 2omj s LEU 80 Ca 0.03 -0.23 -0.31 0.00 0.05 0.00 0.00 54.13 53.67 2omj s LEU 80 Cb -0.15 -0.69 -0.08 0.00 -2.05 0.00 0.00 46.19 43.22 2omj s LEU 80 CO -0.05 -0.03 1.34 -0.89 -0.55 0.00 0.00 176.35 176.16 2omj s THR 81 N 1.00 3.39 0.33 5.48 2.01 0.17 -3.50 115.64 124.51 2omj s THR 81 Ca -0.09 1.03 0.04 0.00 0.31 0.00 0.00 61.69 62.99 2omj s THR 81 Cb -0.15 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.64 2omj s THR 81 CO -0.00 0.10 0.04 0.68 -0.69 0.00 0.00 174.62 174.75 2omj s VAL 82 N 0.82 1.34 -0.03 3.82 -7.23 -1.12 0.63 120.40 118.62 2omj s VAL 82 Ca 0.61 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2omj s VAL 82 Cb -0.36 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 33.84 2omj s VAL 82 CO 0.32 -0.04 0.06 -1.10 -0.31 0.00 0.00 175.10 174.03 2omj s GLN 83 N -3.85 -0.03 0.00 4.82 -0.21 0.11 -2.05 119.66 118.45 2omj s GLN 83 Ca 0.35 0.26 0.00 0.00 0.02 0.00 0.00 55.36 56.00 2omj s GLN 83 Cb 0.08 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.81 2omj s GLN 83 CO 0.15 -0.20 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 2omj n GLY 84 N 4.43 4.02 2.99 3.09 0.00 -1.20 -1.99 105.19 116.53 2omj n GLY 84 Ca -0.23 -1.61 -0.07 0.00 0.00 0.00 0.00 46.02 44.11 2omj n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2omj s ARG 85 N -1.78 0.67 -0.31 1.61 0.52 -1.26 -4.25 118.95 114.16 2omj s ARG 85 Ca 0.00 -0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 54.54 2omj s ARG 85 Cb 0.00 -0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.18 2omj s ARG 85 CO 0.00 -1.16 1.82 -1.25 0.02 0.00 0.00 175.30 174.73 2omj s PRO 86 N 1.85 3.37 0.03 3.54 0.04 -1.26 -4.89 135.00 137.68 2omj s PRO 86 Ca 0.15 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 2omj s PRO 86 Cb -0.10 -4.20 -0.17 0.00 0.04 0.00 0.00 34.50 30.07 2omj s PRO 86 CO -0.10 -1.81 1.25 -1.00 0.04 0.00 0.00 177.00 175.37 2omj h PRO 87 N 12.83 0.43 -1.68 0.56 0.13 -2.04 -3.32 132.00 138.91 2omj h PRO 87 Ca -0.35 -0.31 -0.67 0.00 -0.87 0.00 0.00 66.00 63.80 2omj h PRO 87 Cb 1.17 0.05 -0.35 0.00 0.13 0.00 0.00 31.00 32.00 2omj h PRO 87 CO 1.02 0.93 0.08 0.41 -0.23 0.00 0.00 178.00 180.22 2omj n GLY 88 N 0.56 5.81 3.96 1.56 0.00 -1.26 -5.38 105.19 110.45 2omj n GLY 88 Ca -0.07 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.32 2omj n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06