#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omj s SER 2 N 0.00 3.01 -1.61 1.61 0.01 -1.26 -4.85 113.70 110.62 2omj s SER 2 Ca 0.00 -0.99 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 2omj s SER 2 Cb 0.00 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2omj s SER 2 CO 0.00 -0.40 0.32 1.57 0.41 0.00 0.00 173.24 175.14 2omj n HIS 3 N 5.26 -1.47 -3.89 2.43 -0.00 -1.26 -4.96 115.22 111.33 2omj n HIS 3 Ca -0.06 0.27 -0.34 0.00 -0.00 0.00 0.00 57.72 57.59 2omj n HIS 3 Cb 0.45 -4.16 -0.13 0.00 -0.00 0.00 0.00 29.99 26.15 2omj n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2omj s MET 4 N -5.36 1.75 0.00 1.57 1.00 -1.26 -4.76 119.30 112.24 2omj s MET 4 Ca 0.16 -1.86 0.00 0.00 0.00 0.00 0.00 55.69 53.99 2omj s MET 4 Cb -0.07 -3.40 0.00 0.00 0.00 0.00 0.00 34.83 31.36 2omj s MET 4 CO 0.20 -1.01 0.00 0.41 0.00 0.00 0.00 175.02 174.62 2omj n GLY 5 N 4.42 0.74 2.84 -0.03 0.00 -1.26 -5.03 105.19 106.86 2omj n GLY 5 Ca 0.01 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2omj n GLY 5 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2omj s LEU 6 N 0.00 3.73 -0.21 0.99 2.96 -1.26 -4.99 118.68 119.90 2omj s LEU 6 Ca 0.00 -3.04 -0.06 0.00 -0.22 0.00 0.00 54.13 50.82 2omj s LEU 6 Cb 0.00 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 2omj s LEU 6 CO 0.00 -0.21 0.03 0.68 -1.32 0.00 0.00 176.35 175.52 2omj s VAL 7 N -0.27 4.15 0.17 1.68 -7.23 -1.26 -5.07 120.40 112.57 2omj s VAL 7 Ca 0.19 -0.24 0.10 0.00 -1.81 0.00 0.00 61.98 60.22 2omj s VAL 7 Cb -0.20 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 2omj s VAL 7 CO -0.04 0.40 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.84 2omj s GLN 8 N 1.13 1.39 -0.02 4.82 -0.21 -1.26 -3.83 119.66 121.67 2omj s GLN 8 Ca 0.03 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 53.96 2omj s GLN 8 Cb -0.14 -1.60 0.03 0.00 1.00 0.00 0.00 33.01 32.29 2omj s GLN 8 CO 0.02 0.34 0.02 0.50 -2.12 0.00 0.00 175.29 174.05 2omj s ARG 9 N -2.66 0.04 -0.49 2.91 3.52 -0.81 -5.01 118.95 116.45 2omj s ARG 9 Ca 0.18 0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.71 2omj s ARG 9 Cb -0.07 -0.30 0.03 0.00 -1.56 0.00 0.00 34.95 33.06 2omj s ARG 9 CO 0.08 -0.16 0.79 0.00 -0.81 0.00 0.00 175.30 175.21 2omj s VAL 11 N 3.34 5.27 -0.43 0.00 0.11 -1.22 -5.00 120.40 122.47 2omj s VAL 11 Ca 0.27 0.28 0.03 0.00 -2.93 0.00 0.00 61.98 59.63 2omj s VAL 11 Cb -0.13 -3.57 0.12 0.00 -1.53 0.00 0.00 36.38 31.26 2omj s VAL 11 CO 0.20 0.41 0.16 -0.63 -3.33 0.00 0.00 175.10 171.91 2omj s ILE 12 N -1.26 2.53 -0.06 7.04 -1.09 -1.25 -2.94 121.20 124.17 2omj s ILE 12 Ca 0.26 -2.77 -0.24 0.00 -2.23 0.00 0.00 60.65 55.68 2omj s ILE 12 Cb -0.13 -2.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2omj s ILE 12 CO 0.15 -0.70 0.71 -0.63 -1.23 0.00 0.00 174.94 173.24 2omj s ILE 13 N 0.37 5.04 -0.20 2.92 1.01 -1.03 -4.63 121.20 124.68 2omj s ILE 13 Ca 0.14 1.47 -0.08 0.00 0.00 0.00 0.00 60.65 62.17 2omj s ILE 13 Cb -0.22 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2omj s ILE 13 CO -0.04 0.25 0.08 -1.58 0.00 0.00 0.00 174.94 173.65 2omj s GLN 14 N 0.80 3.94 0.19 2.79 0.74 -1.26 -2.27 119.66 124.59 2omj s GLN 14 Ca 0.38 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 55.13 2omj s GLN 14 Cb -0.18 -3.30 -0.10 0.00 1.10 0.00 0.00 33.01 30.54 2omj s GLN 14 CO 0.18 0.16 1.50 0.21 -0.55 0.00 0.00 175.29 176.79 2omj s LYS 15 N 0.71 4.25 0.00 1.67 2.20 -0.04 -4.86 119.74 123.66 2omj s LYS 15 Ca 0.04 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 2omj s LYS 15 Cb -0.13 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2omj s LYS 15 CO 0.02 -0.52 0.00 -0.25 -0.36 0.00 0.00 175.35 174.23 2omj n ASP 16 N 3.43 0.25 0.24 1.43 8.00 -0.65 -4.89 116.55 124.36 2omj n ASP 16 Ca 0.11 -0.91 0.09 0.00 0.71 0.00 0.00 54.79 54.79 2omj n ASP 16 Cb 0.40 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.15 2omj n ASP 16 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2omj h ASP 17 N 0.00 0.00 0.34 -2.24 3.32 -2.05 -2.22 116.42 113.57 2omj h ASP 17 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 2omj h ASP 17 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2omj h ASP 17 CO 0.00 0.00 -1.92 -3.20 -1.72 0.00 0.00 179.24 172.40 2omj n ASN 18 N -4.51 0.60 0.00 6.45 4.05 -1.26 -5.08 115.26 115.51 2omj n ASN 18 Ca -0.02 0.29 0.00 0.00 0.45 0.00 0.00 54.58 55.30 2omj n ASN 18 Cb 0.14 0.27 0.00 0.00 1.23 0.00 0.00 39.78 41.41 2omj n ASN 18 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2omj n GLY 19 N 1.61 0.42 3.18 8.20 0.00 -0.84 -4.99 105.19 112.77 2omj n GLY 19 Ca -0.22 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 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 3.04 0.09 1.61 0.08 -1.26 -1.63 117.98 119.91 2omj s PHE 20 Ca 0.00 -1.64 -0.17 0.00 0.12 0.00 0.00 56.93 55.24 2omj s PHE 20 Cb 0.00 -2.02 -0.09 0.00 -0.57 0.00 0.00 43.02 40.34 2omj s PHE 20 CO 0.00 -0.75 1.45 0.78 -0.10 0.00 0.00 175.22 176.59 2omj h GLY 21 N 7.98 0.63 -4.00 4.36 0.00 -1.95 -3.44 103.07 106.64 2omj h GLY 21 Ca -0.34 -0.58 -0.54 0.00 0.00 0.00 0.00 47.33 45.88 2omj h GLY 21 CO 0.57 0.52 0.79 1.47 0.00 0.00 0.00 176.54 179.89 2omj n LEU 22 N -4.43 4.73 -4.49 3.11 -0.00 -1.26 -4.59 117.00 110.07 2omj n LEU 22 Ca -0.04 1.22 -0.33 0.00 -0.00 0.00 0.00 56.01 56.86 2omj n LEU 22 Cb 0.37 -1.62 -0.13 0.00 -0.00 0.00 0.00 43.42 42.05 2omj n LEU 22 CO 0.41 0.16 -0.42 -0.89 -0.00 0.00 0.00 177.39 176.65 2omj s THR 23 N -0.99 3.33 0.01 1.47 2.01 0.21 -4.94 115.64 116.74 2omj s THR 23 Ca 0.54 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.98 2omj s THR 23 Cb -0.48 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2omj s THR 23 CO 0.62 0.57 -0.14 0.68 -0.69 0.00 0.00 174.62 175.66 2omj s VAL 24 N -0.48 1.13 -0.14 3.82 -7.23 -1.26 -0.69 120.40 115.55 2omj s VAL 24 Ca 0.06 -0.75 -0.08 0.00 -1.81 0.00 0.00 61.98 59.40 2omj s VAL 24 Cb -0.12 -0.97 0.05 0.00 0.56 0.00 0.00 36.38 35.90 2omj s VAL 24 CO 0.02 0.21 0.34 -0.55 -0.31 0.00 0.00 175.10 174.81 2omj s SER 25 N -0.62 -0.40 -0.30 4.85 0.15 -1.17 -4.97 113.70 111.25 2omj s SER 25 Ca 0.04 0.73 -0.25 0.00 0.70 0.00 0.00 55.95 57.17 2omj s SER 25 Cb -0.06 0.64 0.19 0.00 -1.71 0.00 0.00 66.02 65.08 2omj s SER 25 CO 0.00 -0.17 1.46 -0.83 1.20 0.00 0.00 173.24 174.90 2omj s GLY 26 N 1.11 0.37 0.00 9.45 0.00 -1.26 -4.37 107.32 112.62 2omj s GLY 26 Ca -0.08 3.54 0.00 0.00 0.00 0.00 0.00 44.72 48.19 2omj s GLY 26 CO -0.09 1.91 0.25 1.34 0.00 0.00 0.00 173.10 176.51 2omj n ASP 27 N 1.51 0.00 -0.06 1.64 -0.08 -1.26 -4.58 116.55 113.71 2omj n ASP 27 Ca -0.10 0.45 -0.05 0.00 -1.51 0.00 0.00 54.79 53.58 2omj n ASP 27 Cb 0.57 -0.29 -0.04 0.00 2.34 0.00 0.00 41.12 43.70 2omj n ASP 27 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 2omj h ASN 28 N 0.00 0.00 -1.83 1.67 -1.24 -1.99 -3.41 115.58 108.78 2omj h ASN 28 Ca 0.00 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.71 2omj h ASN 28 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2omj h ASN 28 CO 0.00 0.70 0.00 -0.81 -1.29 0.00 0.00 177.43 176.03 2omj n PRO 29 N -4.70 0.31 -3.24 6.67 -0.04 -1.26 -4.81 135.00 127.91 2omj n PRO 29 Ca -0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.39 2omj n PRO 29 Cb 0.18 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.60 2omj n PRO 29 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2omj s VAL 30 N -0.61 -0.80 0.14 0.52 0.11 -1.26 -4.42 120.40 114.07 2omj s VAL 30 Ca 0.00 -0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.04 2omj s VAL 30 Cb 0.00 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 2omj s VAL 30 CO 0.00 -0.09 -0.16 0.72 -3.33 0.00 0.00 175.10 172.24 2omj s PHE 31 N 2.69 1.56 -0.25 1.54 -0.71 -1.26 -1.19 117.98 120.36 2omj s PHE 31 Ca 0.15 -0.52 -0.19 0.00 -1.04 0.00 0.00 56.93 55.32 2omj s PHE 31 Cb -0.14 -0.80 -0.02 0.00 -1.21 0.00 0.00 43.02 40.84 2omj s PHE 31 CO -0.22 0.21 0.56 0.08 -1.34 0.00 0.00 175.22 174.52 2omj s VAL 32 N -2.11 5.04 -0.04 -2.49 1.01 0.16 -3.02 120.40 118.95 2omj s VAL 32 Ca 0.12 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.19 2omj s VAL 32 Cb -0.05 -3.87 -0.23 0.00 0.00 0.00 0.00 36.38 32.22 2omj s VAL 32 CO 0.04 0.07 0.68 1.56 0.00 0.00 0.00 175.10 177.45 2omj h GLN 33 N 7.92 0.03 -4.96 2.72 4.20 -1.22 0.72 115.11 124.53 2omj h GLN 33 Ca -0.28 -0.05 -0.39 0.00 0.06 0.00 0.00 58.65 57.98 2omj h GLN 33 Cb 1.13 0.02 -0.26 0.00 0.30 0.00 0.00 27.48 28.68 2omj h GLN 33 CO 0.74 0.61 -0.78 0.45 -0.67 0.00 0.00 178.83 179.18 2omj s SER 34 N -6.24 1.29 -0.01 1.46 0.15 -0.97 -3.92 113.70 105.46 2omj s SER 34 Ca -0.06 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.26 2omj s SER 34 Cb 0.08 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 2omj s SER 34 CO 0.82 0.02 -0.10 0.68 1.20 0.00 0.00 173.24 175.86 2omj s VAL 35 N -0.70 0.78 -0.31 4.45 -7.23 -1.26 -0.62 120.40 115.52 2omj s VAL 35 Ca 0.00 -0.41 -0.28 0.00 -1.81 0.00 0.00 61.98 59.48 2omj s VAL 35 Cb -0.07 -0.66 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 2omj s VAL 35 CO 0.01 0.22 2.13 -0.75 -0.31 0.00 0.00 175.10 176.40 2omj s LYS 36 N -0.17 2.98 0.08 4.82 2.20 -1.26 -4.82 119.74 123.57 2omj s LYS 36 Ca 0.03 1.71 -0.31 0.00 -0.36 0.00 0.00 55.97 57.04 2omj s LYS 36 Cb -0.05 -4.37 -0.06 0.00 -1.51 0.00 0.00 37.83 31.85 2omj s LYS 36 CO -0.00 -2.28 1.22 -2.00 -0.36 0.00 0.00 175.35 171.93 2omj s GLU 37 N 6.54 4.43 -1.75 4.03 2.12 -1.26 -1.21 118.70 131.60 2omj s GLU 37 Ca 0.93 1.81 -0.00 0.00 0.36 0.00 0.00 54.97 58.07 2omj s GLU 37 Cb -0.27 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.80 2omj s GLU 37 CO 0.32 -0.26 0.05 -3.47 -0.54 0.00 0.00 175.26 171.37 2omj n ASP 38 N 3.78 -5.90 0.00 -1.70 -0.08 -1.26 -4.93 116.55 106.46 2omj n ASP 38 Ca 0.09 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 2omj n ASP 38 Cb 0.46 -4.90 0.00 0.00 2.34 0.00 0.00 41.12 39.02 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 -1.05 6.09 0.36 0.27 0.00 -1.15 -4.93 105.19 104.78 2omj n GLY 39 Ca -0.24 -1.63 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 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 1.25 -0.17 4.61 0.00 -1.89 0.41 119.26 124.48 2omj h ALA 40 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2omj h ALA 40 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2omj h ALA 40 CO 0.00 0.63 0.01 0.00 0.00 0.00 0.00 179.25 179.89 2omj h ALA 41 N 1.35 0.22 -0.34 0.00 0.00 -1.91 0.11 119.26 118.69 2omj h ALA 41 Ca 0.31 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2omj h ALA 41 Cb -0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2omj h ALA 41 CO -0.06 -0.08 -0.28 1.98 0.00 0.00 0.00 179.25 180.82 2omj h MET 42 N 0.04 0.80 0.00 0.00 -1.53 -0.92 -1.53 114.93 111.79 2omj h MET 42 Ca 0.05 -0.40 -0.08 0.00 -3.44 0.00 0.00 59.70 55.83 2omj h MET 42 Cb 0.37 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.41 2omj h MET 42 CO 0.01 1.03 -0.39 -0.09 0.14 0.00 0.00 176.91 177.61 2omj h ARG 43 N 0.58 0.00 0.00 0.39 2.43 -0.16 -2.34 114.38 115.27 2omj h ARG 43 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2omj h ARG 43 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2omj h ARG 43 CO 0.07 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.92 2omj h ALA 44 N 1.61 1.00 -0.46 2.80 0.00 -0.63 -3.47 119.26 120.12 2omj h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2omj h ALA 44 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 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 0.69 0.67 3.70 0.00 0.00 -0.88 -3.89 105.19 105.48 2omj n GLY 45 Ca 0.04 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.83 4.31 0.31 1.61 1.01 -0.60 -4.80 120.40 120.41 2omj s VAL 46 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.58 2omj s VAL 46 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2omj s VAL 46 CO 0.00 0.42 0.14 -1.10 0.00 0.00 0.00 175.10 174.56 2omj s GLN 47 N -1.45 2.50 -0.31 2.72 1.11 -1.26 -4.66 119.66 118.32 2omj s GLN 47 Ca 0.19 -1.40 -0.22 0.00 0.01 0.00 0.00 55.36 53.94 2omj s GLN 47 Cb -0.12 -2.29 -0.00 0.00 -1.01 0.00 0.00 33.01 29.60 2omj s GLN 47 CO 0.09 0.21 0.72 0.99 0.01 0.00 0.00 175.29 177.32 2omj s THR 48 N -2.34 4.85 0.00 -0.19 2.01 -1.26 -3.94 115.64 114.77 2omj s THR 48 Ca 0.36 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.38 2omj s THR 48 Cb -0.05 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.37 2omj s THR 48 CO 0.23 -0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2omj n GLY 49 N 4.32 0.90 3.92 4.40 0.00 0.25 -4.99 105.19 113.98 2omj n GLY 49 Ca 0.02 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 2omj n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2omj s ASP 50 N -2.79 6.39 -0.07 1.61 -4.77 -0.88 -4.87 116.67 111.29 2omj s ASP 50 Ca 0.00 0.41 -0.13 0.00 -3.30 0.00 0.00 52.55 49.53 2omj s ASP 50 Cb 0.00 -2.01 -0.05 0.00 -1.09 0.00 0.00 42.92 39.77 2omj s ASP 50 CO 0.00 -0.03 0.32 -0.60 0.70 0.00 0.00 175.17 175.57 2omj s ARG 51 N -3.24 3.90 -0.31 2.11 3.52 -0.97 -0.67 118.95 123.30 2omj s ARG 51 Ca 0.38 0.22 -0.12 0.00 -0.13 0.00 0.00 55.73 56.08 2omj s ARG 51 Cb -0.11 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 2omj s ARG 51 CO 0.29 0.59 0.23 0.42 -0.81 0.00 0.00 175.30 176.01 2omj s ILE 52 N -0.64 5.29 0.00 4.11 1.01 -0.34 0.95 121.20 131.58 2omj s ILE 52 Ca 0.20 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.65 2omj s ILE 52 Cb -0.15 -3.64 -0.30 0.00 0.01 0.00 0.00 42.46 38.38 2omj s ILE 52 CO 0.09 0.10 1.00 0.40 0.00 0.00 0.00 174.94 176.53 2omj h ILE 53 N 5.44 1.40 -3.24 2.92 1.08 0.47 -3.41 117.51 122.16 2omj h ILE 53 Ca -0.33 -2.46 -0.14 0.00 -0.39 0.00 0.00 64.86 61.54 2omj h ILE 53 Cb 1.17 2.94 -0.22 0.00 -3.07 0.00 0.00 36.82 37.64 2omj h ILE 53 CO 0.60 0.72 -0.40 -1.59 -0.69 0.00 0.00 178.15 176.79 2omj s LYS 54 N -2.74 0.49 -0.26 2.37 -2.85 -0.97 -4.72 119.74 111.06 2omj s LYS 54 Ca -0.12 -0.12 0.02 0.00 -1.00 0.00 0.00 55.97 54.76 2omj s LYS 54 Cb 0.03 0.22 0.05 0.00 -2.06 0.00 0.00 37.83 36.07 2omj s LYS 54 CO 0.88 -0.11 -0.10 0.08 0.10 0.00 0.00 175.35 176.19 2omj s VAL 55 N -0.93 2.34 -1.36 1.79 1.01 -1.16 0.14 120.40 122.24 2omj s VAL 55 Ca -0.10 -1.46 -0.08 0.00 0.00 0.00 0.00 61.98 60.34 2omj s VAL 55 Cb -0.05 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.03 2omj s VAL 55 CO 0.02 0.05 1.12 0.59 0.00 0.00 0.00 175.10 176.88 2omj n ASN 56 N 4.50 -5.42 -1.52 3.32 4.13 0.30 -1.66 115.26 118.92 2omj n ASN 56 Ca -0.15 -0.59 -0.14 0.00 1.68 0.00 0.00 54.58 55.38 2omj n ASN 56 Cb 0.44 -4.88 -0.01 0.00 -1.54 0.00 0.00 39.78 33.79 2omj n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2omj n GLY 57 N -1.84 -0.01 2.76 7.41 0.00 -1.25 -4.98 105.19 107.28 2omj n GLY 57 Ca -0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 2omj n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2omj s THR 58 N -2.67 1.57 -0.13 2.61 2.01 -0.66 -4.96 115.64 113.40 2omj s THR 58 Ca 0.00 -2.59 -0.28 0.00 0.31 0.00 0.00 61.69 59.13 2omj s THR 58 Cb 0.00 -2.11 -0.26 0.00 0.01 0.00 0.00 72.50 70.14 2omj s THR 58 CO 0.00 -0.86 0.74 0.25 -0.69 0.00 0.00 174.62 174.06 2omj h LEU 59 N 6.80 0.06 0.00 4.42 6.46 -1.84 -3.06 115.31 128.15 2omj h LEU 59 Ca -0.03 -0.96 -0.34 0.00 -0.12 0.00 0.00 57.88 56.43 2omj h LEU 59 Cb 0.93 -0.02 0.15 0.00 -0.73 0.00 0.00 40.66 40.99 2omj h LEU 59 CO 0.51 1.08 0.22 1.33 -0.62 0.00 0.00 178.44 180.97 2omj n VAL 60 N -4.54 0.00 -4.84 1.05 0.24 -1.26 -4.91 118.33 104.07 2omj n VAL 60 Ca -0.12 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 2omj n VAL 60 Cb 0.54 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 2omj n VAL 60 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2omj n THR 61 N -3.96 0.00 -1.44 3.34 -1.04 -1.26 -5.03 114.28 104.89 2omj n THR 61 Ca 0.13 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.17 2omj n THR 61 Cb 0.48 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.97 2omj n THR 61 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2omj n HIS 62 N -0.92 -3.93 0.00 -1.42 -0.00 -1.26 -5.05 115.22 102.65 2omj n HIS 62 Ca 0.00 2.14 0.00 0.00 -0.00 0.00 0.00 57.72 59.86 2omj n HIS 62 Cb 0.00 -3.37 0.00 0.00 -0.00 0.00 0.00 29.99 26.62 2omj n HIS 62 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 2omj n SER 63 N -2.80 0.00 -4.93 0.41 3.41 -1.26 -5.09 113.62 103.35 2omj n SER 63 Ca -0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.33 2omj n SER 63 Cb 0.48 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 2omj n SER 63 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2omj s ASN 64 N -1.38 6.37 0.30 4.04 0.01 -1.26 -4.49 114.94 118.54 2omj s ASN 64 Ca 0.00 0.35 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 2omj s ASN 64 Cb 0.00 -1.99 0.48 0.00 0.41 0.00 0.00 41.25 40.16 2omj s ASN 64 CO 0.00 -0.04 1.88 -0.74 -1.51 0.00 0.00 177.10 176.68 2omj h HIS 65 N 1.92 0.79 -0.77 2.20 -0.00 -1.89 -2.59 115.15 114.81 2omj h HIS 65 Ca -0.48 -0.05 0.09 0.00 -0.00 0.00 0.00 60.37 59.92 2omj h HIS 65 Cb 1.19 -0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 28.29 2omj h HIS 65 CO 0.54 0.64 0.42 1.37 -0.00 0.00 0.00 177.93 180.91 2omj h LEU 66 N 0.77 0.60 -0.51 0.26 8.10 -1.98 0.34 115.31 122.88 2omj h LEU 66 Ca 0.18 0.05 -0.02 0.00 0.11 0.00 0.00 57.88 58.20 2omj h LEU 66 Cb 0.21 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 2omj h LEU 66 CO -0.01 0.35 0.24 -0.08 -4.11 0.00 0.00 178.44 174.83 2omj h GLU 67 N 0.72 0.74 -0.28 0.17 4.22 -1.88 0.32 114.58 118.60 2omj h GLU 67 Ca 0.37 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.69 2omj h GLU 67 Cb 0.34 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2omj h GLU 67 CO -0.24 0.62 0.12 0.28 -2.18 0.00 0.00 179.01 177.61 2omj h VAL 68 N 0.68 1.16 -0.53 0.32 2.07 -1.08 0.35 116.25 119.23 2omj h VAL 68 Ca 0.18 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2omj h VAL 68 Cb 0.12 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2omj h VAL 68 CO -0.02 0.17 0.29 0.58 0.02 0.00 0.00 177.57 178.60 2omj h VAL 69 N 0.31 1.18 -0.62 2.57 2.07 -0.10 0.31 116.25 121.96 2omj h VAL 69 Ca 0.09 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 2omj h VAL 69 Cb 0.15 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2omj h VAL 69 CO -0.01 0.20 0.02 0.50 0.02 0.00 0.00 177.57 178.30 2omj h LYS 70 N 0.71 1.07 -0.21 1.57 3.64 -0.13 0.33 116.57 123.55 2omj h LYS 70 Ca 0.19 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2omj h LYS 70 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 2omj h LYS 70 CO -0.03 1.03 -0.07 1.25 -2.27 0.00 0.00 179.45 179.36 2omj h LEU 71 N 0.98 0.43 -0.74 5.20 7.12 0.07 -0.14 115.31 128.24 2omj h LEU 71 Ca 0.18 -0.39 -0.12 0.00 0.13 0.00 0.00 57.88 57.68 2omj h LEU 71 Cb 0.53 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 2omj h LEU 71 CO 0.03 0.72 -0.34 -0.29 -0.13 0.00 0.00 178.44 178.42 2omj h ILE 72 N 0.13 1.29 -0.08 4.05 2.10 -0.29 -2.89 117.51 121.81 2omj h ILE 72 Ca 0.05 -1.47 -0.12 0.00 1.08 0.00 0.00 64.86 64.40 2omj h ILE 72 Cb 0.54 1.46 -0.01 0.00 -1.09 0.00 0.00 36.82 37.72 2omj h ILE 72 CO 0.03 0.47 -0.51 0.11 -1.08 0.00 0.00 178.15 177.17 2omj h LYS 73 N 0.48 0.22 -4.79 2.19 1.57 -0.27 -3.37 116.57 112.61 2omj h LYS 73 Ca 0.05 -0.13 -0.57 0.00 -1.87 0.00 0.00 60.65 58.14 2omj h LYS 73 Cb 0.83 0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.16 2omj h LYS 73 CO 0.07 0.68 2.03 0.45 -0.57 0.00 0.00 179.45 182.10 2omj n SER 74 N -3.95 2.91 0.00 0.86 2.88 -0.07 -4.66 113.62 111.59 2omj n SER 74 Ca -0.02 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2omj n SER 74 Cb 0.55 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 2omj n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2omj n GLY 75 N 4.89 4.58 0.12 0.46 0.00 -1.26 -4.96 105.19 109.01 2omj n GLY 75 Ca 0.48 -1.18 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 0.07 -3.36 1.61 0.02 -1.87 -3.44 113.55 106.58 2omj h SER 76 Ca 0.00 -0.05 -0.65 0.00 -0.84 0.00 0.00 61.79 60.25 2omj h SER 76 Cb 0.00 -0.02 -0.20 0.00 0.14 0.00 0.00 62.40 62.32 2omj h SER 76 CO 0.00 0.82 -0.66 -0.31 -1.14 0.00 0.00 176.83 175.54 2omj s TYR 77 N -3.29 3.04 -0.19 3.45 1.51 -1.26 -0.86 117.35 119.75 2omj s TYR 77 Ca -0.01 -0.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.87 2omj s TYR 77 Cb 0.11 -1.90 0.05 0.00 -0.11 0.00 0.00 41.96 40.12 2omj s TYR 77 CO 0.79 0.10 -0.03 0.54 -1.11 0.00 0.00 175.55 175.85 2omj s VAL 78 N -0.01 1.03 -0.46 0.71 0.11 -0.96 -5.04 120.40 115.78 2omj s VAL 78 Ca 0.01 -0.75 -0.12 0.00 -2.93 0.00 0.00 61.98 58.19 2omj s VAL 78 Cb -0.13 -1.33 0.09 0.00 -1.53 0.00 0.00 36.38 33.48 2omj s VAL 78 CO 0.03 -0.03 0.36 0.00 -3.33 0.00 0.00 175.10 172.12 2omj s ALA 79 N 1.64 3.45 -0.14 1.54 0.00 -1.26 -2.46 121.76 124.53 2omj s ALA 79 Ca -0.01 -2.26 0.02 0.00 0.00 0.00 0.00 51.96 49.71 2omj s ALA 79 Cb -0.17 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.05 2omj s ALA 79 CO -0.07 -1.77 -0.20 -0.48 0.00 0.00 0.00 175.76 173.23 2omj s LEU 80 N 1.51 2.03 -0.06 0.00 0.05 -1.15 0.11 118.68 121.17 2omj s LEU 80 Ca 0.04 -0.57 -0.30 0.00 0.05 0.00 0.00 54.13 53.35 2omj s LEU 80 Cb -0.25 -1.37 -0.02 0.00 -2.05 0.00 0.00 46.19 42.49 2omj s LEU 80 CO 0.03 0.06 1.03 -0.89 -0.55 0.00 0.00 176.35 176.03 2omj s THR 81 N 0.88 4.72 0.41 5.48 2.01 0.12 -3.38 115.64 125.87 2omj s THR 81 Ca -0.06 1.97 0.07 0.00 0.31 0.00 0.00 61.69 63.98 2omj s THR 81 Cb -0.15 -4.27 -0.07 0.00 0.01 0.00 0.00 72.50 68.02 2omj s THR 81 CO -0.03 0.05 0.04 0.68 -0.69 0.00 0.00 174.62 174.68 2omj s VAL 82 N 1.70 2.09 -0.02 3.82 -7.23 -0.95 0.11 120.40 119.92 2omj s VAL 82 Ca 0.51 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.70 2omj s VAL 82 Cb -0.20 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.76 2omj s VAL 82 CO 0.22 -0.01 0.09 -1.58 -0.31 0.00 0.00 175.10 173.50 2omj s GLN 83 N -3.75 0.24 -0.30 4.82 0.74 0.27 -1.92 119.66 119.75 2omj s GLN 83 Ca 0.36 -0.11 -0.11 0.00 0.05 0.00 0.00 55.36 55.55 2omj s GLN 83 Cb 0.08 0.10 0.16 0.00 1.10 0.00 0.00 33.01 34.45 2omj s GLN 83 CO 0.19 -0.04 0.81 0.20 -0.55 0.00 0.00 175.29 175.90 2omj s GLY 84 N -0.54 -0.53 -0.21 2.59 0.00 -1.25 -2.28 107.32 105.10 2omj s GLY 84 Ca -0.06 2.58 -0.16 0.00 0.00 0.00 0.00 44.72 47.07 2omj s GLY 84 CO 0.00 3.27 -0.12 -2.13 0.00 0.00 0.00 173.10 174.13 2omj n ARG 85 N 5.27 0.54 -0.10 2.90 0.63 -1.26 -4.56 116.66 120.08 2omj n ARG 85 Ca -0.08 0.42 -0.07 0.00 -0.92 0.00 0.00 57.85 57.20 2omj n ARG 85 Cb 0.51 -1.62 0.01 0.00 0.45 0.00 0.00 32.46 31.82 2omj n ARG 85 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2omj h PRO 86 N -1.00 0.32 -7.75 -0.14 0.11 -2.01 -3.44 132.00 118.09 2omj h PRO 86 Ca -0.31 -0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.33 2omj h PRO 86 Cb 1.16 -0.07 0.15 0.00 0.11 0.00 0.00 31.00 32.35 2omj h PRO 86 CO -0.19 0.21 0.40 -1.25 -0.21 0.00 0.00 178.00 176.96 2omj s PRO 87 N -6.16 0.85 0.00 1.05 0.04 -1.26 -4.87 135.00 124.65 2omj s PRO 87 Ca -0.13 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.50 2omj s PRO 87 Cb 0.11 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.76 2omj s PRO 87 CO 0.71 -2.26 0.00 0.41 0.04 0.00 0.00 177.00 175.90 2omj n GLY 88 N -3.65 2.34 0.00 0.56 0.00 -1.26 -4.96 105.19 98.22 2omj n GLY 88 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2omj n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76