#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 -1.09 -2.77 1.61 3.41 -1.26 -4.98 113.62 108.55 2omj n SER 2 Ca 0.00 -2.16 -0.21 0.00 -0.26 0.00 0.00 58.87 56.23 2omj n SER 2 Cb 0.00 0.51 0.02 0.00 -0.26 0.00 0.00 64.21 64.48 2omj n SER 2 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2omj n HIS 3 N -1.19 -1.67 -3.89 7.33 -0.00 -1.26 -4.99 115.22 109.55 2omj n HIS 3 Ca -0.17 0.38 -0.23 0.00 -0.00 0.00 0.00 57.72 57.70 2omj n HIS 3 Cb 0.85 -4.28 -0.17 0.00 -0.00 0.00 0.00 29.99 26.39 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 -5.50 0.86 0.00 -0.41 -1.94 -1.26 -5.00 119.30 106.05 2omj s MET 4 Ca 0.22 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 2omj s MET 4 Cb -0.10 -1.07 0.00 0.00 2.01 0.00 0.00 34.83 35.67 2omj s MET 4 CO 0.27 -0.24 0.00 0.41 -0.01 0.00 0.00 175.02 175.45 2omj n GLY 5 N 4.86 -2.28 2.43 -0.03 0.00 -1.26 -4.73 105.19 104.18 2omj n GLY 5 Ca -0.12 0.73 -0.20 0.00 0.00 0.00 0.00 46.02 46.44 2omj n GLY 5 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2omj n LEU 6 N -0.66 -1.73 -4.00 0.99 4.32 -1.26 -4.96 117.00 109.71 2omj n LEU 6 Ca 0.00 0.13 -0.31 0.00 -0.02 0.00 0.00 56.01 55.81 2omj n LEU 6 Cb 0.00 -2.80 -0.16 0.00 -1.62 0.00 0.00 43.42 38.84 2omj n LEU 6 CO 0.00 -0.41 -0.45 0.68 -1.22 0.00 0.00 177.39 175.99 2omj s VAL 7 N -2.90 1.74 0.13 4.08 -7.23 -1.26 -5.10 120.40 109.86 2omj s VAL 7 Ca 0.00 -1.22 0.07 0.00 -1.81 0.00 0.00 61.98 59.02 2omj s VAL 7 Cb 0.00 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2omj s VAL 7 CO 0.00 0.04 -0.06 -1.10 -0.31 0.00 0.00 175.10 173.67 2omj s GLN 8 N 1.33 2.23 -0.05 4.82 -0.21 -1.26 -1.49 119.66 125.03 2omj s GLN 8 Ca -0.04 -1.06 -0.12 0.00 0.02 0.00 0.00 55.36 54.15 2omj s GLN 8 Cb -0.18 -2.32 0.02 0.00 1.00 0.00 0.00 33.01 31.53 2omj s GLN 8 CO -0.07 0.49 0.28 0.50 -2.12 0.00 0.00 175.29 174.37 2omj s ARG 9 N -2.51 0.53 -0.06 2.91 3.52 -0.74 -4.98 118.95 117.63 2omj s ARG 9 Ca 0.24 -0.01 -0.19 0.00 -0.13 0.00 0.00 55.73 55.64 2omj s ARG 9 Cb -0.10 0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 2omj s ARG 9 CO 0.16 -0.12 0.54 0.00 -0.81 0.00 0.00 175.30 175.07 2omj s VAL 11 N 0.17 1.05 -0.49 0.00 -7.23 -1.23 -4.88 120.40 107.79 2omj s VAL 11 Ca 0.29 -1.50 -0.25 0.00 -1.81 0.00 0.00 61.98 58.71 2omj s VAL 11 Cb -0.17 -1.78 0.03 0.00 0.56 0.00 0.00 36.38 35.02 2omj s VAL 11 CO 0.14 -0.65 0.95 -0.63 -0.31 0.00 0.00 175.10 174.60 2omj s ILE 12 N 1.53 4.42 -0.23 -0.62 1.09 -1.26 -3.51 121.20 122.62 2omj s ILE 12 Ca 0.09 0.66 -0.14 0.00 -1.10 0.00 0.00 60.65 60.16 2omj s ILE 12 Cb -0.17 -4.48 -0.04 0.00 -1.06 0.00 0.00 42.46 36.70 2omj s ILE 12 CO -0.23 -0.94 0.33 -0.63 -0.10 0.00 0.00 174.94 173.37 2omj s ILE 13 N 3.89 5.24 -0.16 2.92 1.09 -0.69 -4.49 121.20 129.00 2omj s ILE 13 Ca 0.36 0.53 -0.08 0.00 -1.10 0.00 0.00 60.65 60.36 2omj s ILE 13 Cb -0.10 -3.66 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 2omj s ILE 13 CO 0.25 0.26 0.11 -1.10 -0.10 0.00 0.00 174.94 174.35 2omj s GLN 14 N 1.40 3.77 0.18 2.79 -0.21 -1.26 -2.28 119.66 124.06 2omj s GLN 14 Ca 0.15 -0.23 -0.31 0.00 0.02 0.00 0.00 55.36 54.99 2omj s GLN 14 Cb -0.15 -3.24 -0.10 0.00 1.00 0.00 0.00 33.01 30.53 2omj s GLN 14 CO 0.07 0.50 1.50 0.21 -2.12 0.00 0.00 175.29 175.45 2omj s LYS 15 N -0.23 4.25 0.06 2.91 2.36 0.26 -4.73 119.74 124.61 2omj s LYS 15 Ca 0.10 2.30 0.00 0.00 -2.55 0.00 0.00 55.97 55.82 2omj s LYS 15 Cb -0.12 -3.16 0.01 0.00 -1.05 0.00 0.00 37.83 33.52 2omj s LYS 15 CO 0.01 -0.53 0.08 -0.25 1.55 0.00 0.00 175.35 176.21 2omj n ASP 16 N 3.49 0.14 0.21 1.43 8.00 -1.23 -4.90 116.55 123.69 2omj n ASP 16 Ca 0.11 -1.11 0.07 0.00 0.71 0.00 0.00 54.79 54.58 2omj n ASP 16 Cb 0.40 -0.05 0.60 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.03 0.08 0.00 -2.24 3.58 -2.05 -3.01 116.42 112.75 2omj h ASP 17 Ca -0.03 -0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.10 2omj h ASP 17 Cb 0.11 -0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.08 2omj h ASP 17 CO 0.03 0.06 -2.21 0.59 -2.88 0.00 0.00 179.24 174.83 2omj n ASN 18 N -4.53 1.43 0.00 2.28 4.13 -1.26 -5.12 115.26 112.19 2omj n ASN 18 Ca -0.02 -0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.19 2omj n ASN 18 Cb 0.09 0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 2omj n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2omj n GLY 19 N 2.16 0.90 3.66 7.41 0.00 -1.14 -5.05 105.19 113.14 2omj n GLY 19 Ca -0.33 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.43 3.38 0.12 1.61 0.08 -1.26 -3.48 117.98 116.00 2omj s PHE 20 Ca 0.00 1.41 0.05 0.00 0.12 0.00 0.00 56.93 58.51 2omj s PHE 20 Cb 0.00 -3.18 -0.20 0.00 -0.57 0.00 0.00 43.02 39.08 2omj s PHE 20 CO 0.00 -0.37 1.27 0.78 -0.10 0.00 0.00 175.22 176.80 2omj h GLY 21 N 8.92 0.06 -4.31 4.36 0.00 -1.97 -3.46 103.07 106.69 2omj h GLY 21 Ca -0.24 -0.15 -0.53 0.00 0.00 0.00 0.00 47.33 46.41 2omj h GLY 21 CO 0.91 0.13 0.90 0.48 0.00 0.00 0.00 176.54 178.97 2omj s LEU 22 N -6.84 4.34 -0.12 3.11 0.05 -1.26 -4.48 118.68 113.48 2omj s LEU 22 Ca -0.00 2.98 -0.05 0.00 0.05 0.00 0.00 54.13 57.11 2omj s LEU 22 Cb 0.10 -3.63 -0.04 0.00 -2.05 0.00 0.00 46.19 40.56 2omj s LEU 22 CO 0.83 -0.94 0.05 -0.89 -0.55 0.00 0.00 176.35 174.85 2omj s THR 23 N 0.04 4.70 -0.03 5.48 2.01 0.00 -4.94 115.64 122.90 2omj s THR 23 Ca 0.64 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.59 2omj s THR 23 Cb -0.48 -3.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.99 2omj s THR 23 CO 0.48 0.57 -0.13 0.68 -0.69 0.00 0.00 174.62 175.53 2omj s VAL 24 N -0.55 1.08 -0.14 3.82 -7.23 -1.26 -0.16 120.40 115.96 2omj s VAL 24 Ca 0.10 -0.54 -0.08 0.00 -1.81 0.00 0.00 61.98 59.65 2omj s VAL 24 Cb -0.12 -0.93 0.05 0.00 0.56 0.00 0.00 36.38 35.94 2omj s VAL 24 CO 0.02 0.32 0.34 -0.55 -0.31 0.00 0.00 175.10 174.92 2omj s SER 25 N 0.03 -0.40 -0.30 4.85 0.15 -1.12 -4.91 113.70 112.00 2omj s SER 25 Ca -0.01 0.73 -0.17 0.00 0.70 0.00 0.00 55.95 57.19 2omj s SER 25 Cb -0.09 0.63 0.18 0.00 -1.71 0.00 0.00 66.02 65.04 2omj s SER 25 CO 0.01 -0.17 1.18 -0.83 1.20 0.00 0.00 173.24 174.63 2omj s GLY 26 N 1.10 0.04 0.00 9.45 0.00 -1.26 -4.28 107.32 112.37 2omj s GLY 26 Ca -0.07 3.33 0.00 0.00 0.00 0.00 0.00 44.72 47.98 2omj s GLY 26 CO -0.09 3.48 0.73 1.34 0.00 0.00 0.00 173.10 178.57 2omj n ASP 27 N 4.90 0.00 -0.05 1.64 2.03 -1.26 -4.44 116.55 119.37 2omj n ASP 27 Ca -0.07 0.75 -0.01 0.00 0.52 0.00 0.00 54.79 55.98 2omj n ASP 27 Cb 0.54 -0.27 -0.00 0.00 -0.72 0.00 0.00 41.12 40.67 2omj n ASP 27 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2omj h ASN 28 N 0.00 0.00 -1.49 1.67 4.21 -1.98 -3.45 115.58 114.53 2omj h ASN 28 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2omj h ASN 28 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2omj h ASN 28 CO 0.00 0.46 0.00 -0.81 -1.29 0.00 0.00 177.43 175.79 2omj n PRO 29 N -4.35 -0.04 -3.55 0.81 -0.04 -1.26 -4.92 135.00 121.65 2omj n PRO 29 Ca -0.01 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.26 2omj n PRO 29 Cb 0.04 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.36 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 -0.80 -0.28 0.03 0.52 1.01 -1.26 -4.49 120.40 115.13 2omj s VAL 30 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2omj s VAL 30 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 2omj s VAL 30 CO 0.00 -0.15 -0.03 0.72 0.00 0.00 0.00 175.10 175.64 2omj s PHE 31 N 2.29 0.38 -0.25 5.22 -0.71 -1.26 0.48 117.98 124.13 2omj s PHE 31 Ca 0.05 -0.68 -0.17 0.00 -1.04 0.00 0.00 56.93 55.08 2omj s PHE 31 Cb -0.15 -0.27 -0.03 0.00 -1.21 0.00 0.00 43.02 41.36 2omj s PHE 31 CO -0.10 -0.23 0.49 0.08 -1.34 0.00 0.00 175.22 174.12 2omj s VAL 32 N -2.18 5.09 -0.01 -2.49 1.01 -0.40 -2.81 120.40 118.62 2omj s VAL 32 Ca -0.09 0.85 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 2omj s VAL 32 Cb -0.05 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2omj s VAL 32 CO -0.03 0.12 0.40 1.56 0.00 0.00 0.00 175.10 177.14 2omj h GLN 33 N 7.91 -0.12 -6.05 2.72 4.20 -0.88 0.62 115.11 123.51 2omj h GLN 33 Ca -0.30 0.01 -0.61 0.00 0.06 0.00 0.00 58.65 57.81 2omj h GLN 33 Cb 1.15 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 28.82 2omj h GLN 33 CO 0.71 -0.08 -0.69 -1.12 -0.67 0.00 0.00 178.83 176.97 2omj s SER 34 N -3.29 3.80 -0.00 1.46 0.01 -0.97 -2.27 113.70 112.44 2omj s SER 34 Ca -0.02 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.18 2omj s SER 34 Cb 0.00 -0.39 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 2omj s SER 34 CO 0.06 -0.12 -0.05 0.68 0.41 0.00 0.00 173.24 174.22 2omj s VAL 35 N -2.55 0.38 0.03 3.43 -7.23 -1.26 -0.82 120.40 112.38 2omj s VAL 35 Ca 0.32 -0.21 -0.31 0.00 -1.81 0.00 0.00 61.98 59.98 2omj s VAL 35 Cb -0.01 -0.32 -0.10 0.00 0.56 0.00 0.00 36.38 36.51 2omj s VAL 35 CO 0.17 0.10 1.96 1.17 -0.31 0.00 0.00 175.10 178.19 2omj n LYS 36 N 2.96 2.78 -2.50 4.82 3.00 -1.26 -4.82 118.16 123.13 2omj n LYS 36 Ca -0.13 1.02 -0.42 0.00 -0.00 0.00 0.00 58.31 58.78 2omj n LYS 36 Cb 0.58 -2.96 -0.03 0.00 0.00 0.00 0.00 35.03 32.62 2omj n LYS 36 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2omj s GLU 37 N 4.29 4.49 -1.63 1.64 -6.30 -1.26 -1.53 118.70 118.41 2omj s GLU 37 Ca 0.89 1.68 -0.01 0.00 -2.50 0.00 0.00 54.97 55.03 2omj s GLU 37 Cb -0.47 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.30 2omj s GLU 37 CO 0.43 -0.15 0.09 -3.47 0.02 0.00 0.00 175.26 172.18 2omj n ASP 38 N 3.63 -5.58 0.00 -1.70 -0.08 -1.26 -4.92 116.55 106.64 2omj n ASP 38 Ca 0.07 -0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 2omj n ASP 38 Cb 0.47 -4.63 0.00 0.00 2.34 0.00 0.00 41.12 39.30 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 5.54 0.35 0.27 0.00 -1.19 -4.92 105.19 104.19 2omj n GLY 39 Ca -0.21 -1.52 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 1.29 -0.12 4.61 0.00 -1.85 0.94 119.26 125.13 2omj h ALA 40 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2omj h ALA 40 Cb 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 2omj h ALA 40 CO 0.00 0.60 -0.07 0.00 0.00 0.00 0.00 179.25 179.78 2omj h ALA 41 N 1.39 0.17 -0.10 0.00 0.00 -1.92 -1.68 119.26 117.12 2omj h ALA 41 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2omj h ALA 41 Cb -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2omj h ALA 41 CO -0.05 -0.03 0.03 1.98 0.00 0.00 0.00 179.25 181.18 2omj h MET 42 N -0.10 0.15 -0.46 0.00 -1.53 -1.06 -2.34 114.93 109.59 2omj h MET 42 Ca 0.03 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.27 2omj h MET 42 Cb 0.54 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.55 2omj h MET 42 CO 0.02 0.28 0.31 -0.09 0.14 0.00 0.00 176.91 177.57 2omj h ARG 43 N -0.02 0.58 0.00 0.39 9.65 -0.86 -0.15 114.38 123.96 2omj h ARG 43 Ca 0.03 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2omj h ARG 43 Cb 0.19 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2omj h ARG 43 CO -0.00 0.38 0.00 0.00 2.80 0.00 0.00 179.97 183.15 2omj h ALA 44 N 1.72 1.00 -1.07 2.80 0.00 -1.02 -3.47 119.26 119.21 2omj h ALA 44 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2omj h ALA 44 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2omj h ALA 44 CO -0.04 0.00 -0.00 0.41 0.00 0.00 0.00 179.25 179.62 2omj n GLY 45 N 0.22 0.92 3.82 0.00 0.00 -0.07 -4.32 105.19 105.76 2omj n GLY 45 Ca 0.02 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.00 4.82 0.04 1.61 1.01 -0.91 -4.93 120.40 119.03 2omj s VAL 46 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.09 2omj s VAL 46 Cb -0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2omj s VAL 46 CO 0.00 0.55 0.13 -1.10 0.00 0.00 0.00 175.10 174.68 2omj s GLN 47 N -1.13 3.17 -0.08 2.72 1.11 -1.26 -4.81 119.66 119.39 2omj s GLN 47 Ca 0.28 -0.50 -0.30 0.00 0.01 0.00 0.00 55.36 54.85 2omj s GLN 47 Cb -0.19 -2.91 -0.05 0.00 -1.01 0.00 0.00 33.01 28.86 2omj s GLN 47 CO 0.18 0.62 1.60 0.99 0.01 0.00 0.00 175.29 178.68 2omj s THR 48 N -1.35 3.69 -0.20 -0.19 2.01 -1.26 -2.98 115.64 115.36 2omj s THR 48 Ca 0.29 0.83 -0.01 0.00 0.31 0.00 0.00 61.69 63.11 2omj s THR 48 Cb -0.12 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2omj s THR 48 CO 0.21 -0.08 0.17 0.61 -0.69 0.00 0.00 174.62 174.83 2omj n GLY 49 N 4.08 0.52 3.94 4.40 0.00 0.21 -5.01 105.19 113.34 2omj n GLY 49 Ca 0.17 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.13 6.09 -0.12 1.61 1.47 -0.99 -4.85 116.67 116.76 2omj s ASP 50 Ca 0.05 0.41 -0.09 0.00 1.18 0.00 0.00 52.55 54.09 2omj s ASP 50 Cb -0.02 -1.82 -0.04 0.00 -0.34 0.00 0.00 42.92 40.69 2omj s ASP 50 CO 0.11 -0.49 0.19 -0.13 0.68 0.00 0.00 175.17 175.53 2omj s ARG 51 N -4.45 3.68 -0.07 2.11 0.52 -0.97 -1.27 118.95 118.49 2omj s ARG 51 Ca 0.44 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.49 2omj s ARG 51 Cb -0.10 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.08 2omj s ARG 51 CO 0.37 0.66 0.29 0.42 0.02 0.00 0.00 175.30 177.07 2omj s ILE 52 N -0.73 5.25 -0.09 1.52 -1.09 0.18 0.84 121.20 127.08 2omj s ILE 52 Ca 0.15 0.56 -0.04 0.00 -2.23 0.00 0.00 60.65 59.10 2omj s ILE 52 Cb -0.13 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 2omj s ILE 52 CO 0.05 0.56 -0.11 -0.38 -1.23 0.00 0.00 174.94 173.82 2omj n ILE 53 N 2.21 0.49 -4.13 2.92 5.41 0.28 -4.70 119.36 121.84 2omj n ILE 53 Ca -0.16 -0.13 -0.15 0.00 1.00 0.00 0.00 62.75 63.31 2omj n ILE 53 Cb 0.53 -1.53 -0.14 0.00 -0.71 0.00 0.00 39.64 37.79 2omj n ILE 53 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2omj s LYS 54 N -2.16 0.44 -0.21 0.38 2.20 -0.97 -2.21 119.74 117.20 2omj s LYS 54 Ca -0.12 -0.30 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 2omj s LYS 54 Cb 0.05 -0.38 0.05 0.00 -1.51 0.00 0.00 37.83 36.04 2omj s LYS 54 CO 0.16 0.10 -0.07 0.54 -0.36 0.00 0.00 175.35 175.72 2omj s VAL 55 N -0.37 1.50 -1.44 4.02 0.11 -1.09 0.11 120.40 123.25 2omj s VAL 55 Ca -0.00 -1.06 -0.08 0.00 -2.93 0.00 0.00 61.98 57.91 2omj s VAL 55 Cb -0.04 -1.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.14 2omj s VAL 55 CO -0.00 0.03 0.96 0.59 -3.33 0.00 0.00 175.10 173.34 2omj n ASN 56 N 4.71 -6.15 -0.46 3.54 3.02 0.75 -1.65 115.26 119.01 2omj n ASN 56 Ca -0.13 -0.46 -0.05 0.00 -0.03 0.00 0.00 54.58 53.91 2omj n ASN 56 Cb 0.45 -4.89 -0.01 0.00 -0.61 0.00 0.00 39.78 34.72 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 -1.81 0.51 2.65 7.41 0.00 -1.26 -5.00 105.19 107.69 2omj n GLY 57 Ca -0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.21 1.19 1.07 2.61 -4.23 -0.66 -5.13 115.64 108.28 2omj s THR 58 Ca 0.00 -2.55 -0.22 0.00 -1.18 0.00 0.00 61.69 57.74 2omj s THR 58 Cb 0.00 -1.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.00 2omj s THR 58 CO 0.00 -0.96 -0.58 0.00 -0.54 0.00 0.00 174.62 172.55 2omj n LEU 59 N 3.44 -2.61 -4.73 4.79 -0.00 -1.26 -2.66 117.00 113.97 2omj n LEU 59 Ca 0.12 -0.07 -0.42 0.00 -0.00 0.00 0.00 56.01 55.65 2omj n LEU 59 Cb 0.36 -0.79 -0.02 0.00 -0.00 0.00 0.00 43.42 42.97 2omj n LEU 59 CO 0.21 -2.94 1.33 -0.69 -0.00 0.00 0.00 177.39 175.30 2omj s VAL 60 N -2.15 2.01 0.05 1.47 1.01 -0.94 -4.80 120.40 117.06 2omj s VAL 60 Ca 0.48 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2omj s VAL 60 Cb -0.04 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.34 2omj s VAL 60 CO 0.66 0.00 0.00 0.35 0.00 0.00 0.00 175.10 176.12 2omj n THR 61 N 3.26 0.00 -2.81 3.92 -2.24 -1.26 -5.10 114.28 110.05 2omj n THR 61 Ca 0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 2omj n THR 61 Cb 0.36 -0.08 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 2omj n THR 61 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2omj s HIS 62 N -1.17 -0.56 -0.07 4.78 2.46 -1.26 -5.17 115.29 114.30 2omj s HIS 62 Ca 0.00 0.04 -0.17 0.00 0.47 0.00 0.00 55.06 55.41 2omj s HIS 62 Cb 0.00 0.10 0.04 0.00 -0.13 0.00 0.00 32.58 32.59 2omj s HIS 62 CO 0.00 -0.39 0.40 -1.12 -2.47 0.00 0.00 174.74 171.16 2omj s SER 63 N 1.80 -0.34 0.40 9.88 0.01 -1.26 -5.14 113.70 119.06 2omj s SER 63 Ca 0.16 0.43 0.02 0.00 1.31 0.00 0.00 55.95 57.88 2omj s SER 63 Cb 0.03 0.53 0.05 0.00 0.21 0.00 0.00 66.02 66.85 2omj s SER 63 CO -0.13 -0.37 0.41 0.59 0.41 0.00 0.00 173.24 174.15 2omj n ASN 64 N 1.77 0.80 -0.19 2.44 3.02 -1.26 -4.90 115.26 116.94 2omj n ASN 64 Ca -0.18 -1.62 -0.04 0.00 -0.03 0.00 0.00 54.58 52.71 2omj n ASN 64 Cb 0.56 -0.24 0.06 0.00 -0.61 0.00 0.00 39.78 39.55 2omj n ASN 64 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2omj h HIS 65 N -0.21 0.55 -0.75 3.10 2.76 -1.87 -1.05 115.15 117.68 2omj h HIS 65 Ca -0.14 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.14 2omj h HIS 65 Cb 0.57 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.29 2omj h HIS 65 CO 0.00 0.27 0.41 -0.07 -1.30 0.00 0.00 177.93 177.24 2omj h LEU 66 N 0.57 0.58 -0.74 0.26 -0.00 -1.97 0.35 115.31 114.36 2omj h LEU 66 Ca 0.24 0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 58.09 2omj h LEU 66 Cb 0.13 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 2omj h LEU 66 CO -0.15 0.34 0.06 -0.33 -0.00 0.00 0.00 178.44 178.36 2omj h GLU 67 N 0.71 1.02 -0.20 1.13 3.07 -1.74 0.28 114.58 118.85 2omj h GLU 67 Ca 0.36 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 2omj h GLU 67 Cb 0.31 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 2omj h GLU 67 CO -0.24 0.97 -0.00 0.28 -1.40 0.00 0.00 179.01 178.62 2omj h VAL 68 N 0.95 1.26 -0.55 3.13 2.07 0.09 0.36 116.25 123.56 2omj h VAL 68 Ca 0.18 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.75 2omj h VAL 68 Cb 0.47 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2omj h VAL 68 CO 0.02 0.27 0.02 1.62 0.02 0.00 0.00 177.57 179.52 2omj h VAL 69 N 0.10 1.26 -0.53 2.57 3.04 -0.23 0.25 116.25 122.71 2omj h VAL 69 Ca 0.06 -1.08 -0.09 0.00 -1.01 0.00 0.00 66.70 64.57 2omj h VAL 69 Cb 0.40 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 2omj h VAL 69 CO 0.01 0.39 -0.01 0.11 -1.01 0.00 0.00 177.57 177.05 2omj h LYS 70 N 0.85 0.92 -0.32 4.17 6.56 -0.34 0.72 116.57 129.13 2omj h LYS 70 Ca 0.16 -0.27 -0.09 0.00 -1.06 0.00 0.00 60.65 59.38 2omj h LYS 70 Cb 0.51 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.07 2omj h LYS 70 CO 0.02 0.92 -0.17 -0.07 -2.06 0.00 0.00 179.45 178.09 2omj h LEU 71 N 0.84 0.70 -0.24 2.94 -0.00 0.06 0.33 115.31 119.94 2omj h LEU 71 Ca 0.15 -0.42 -0.16 0.00 -0.00 0.00 0.00 57.88 57.46 2omj h LEU 71 Cb 0.52 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2omj h LEU 71 CO 0.03 0.96 -0.46 0.40 -0.00 0.00 0.00 178.44 179.37 2omj h ILE 72 N 0.44 1.30 0.00 1.22 2.04 -0.29 -3.01 117.51 119.21 2omj h ILE 72 Ca 0.07 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2omj h ILE 72 Cb 0.71 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2omj h ILE 72 CO 0.05 0.53 0.00 0.50 0.00 0.00 0.00 178.15 179.23 2omj h LYS 73 N 0.47 0.00 -0.87 2.37 3.64 0.48 -3.20 116.57 119.45 2omj h LYS 73 Ca 0.01 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.64 2omj h LYS 73 Cb 1.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 2omj h LYS 73 CO 0.10 0.00 0.70 1.03 -2.27 0.00 0.00 179.45 179.01 2omj h SER 74 N 0.00 0.00 -5.14 4.20 0.87 -0.20 -3.42 113.55 109.86 2omj h SER 74 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2omj h SER 74 Cb 0.68 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.51 2omj h SER 74 CO 0.00 0.00 -0.21 -0.83 -0.53 0.00 0.00 176.83 175.26 2omj s GLY 75 N -3.91 0.02 0.02 5.77 0.00 -1.21 -5.06 107.32 102.95 2omj s GLY 75 Ca -0.05 -0.43 -0.23 0.00 0.00 0.00 0.00 44.72 44.02 2omj s GLY 75 CO 0.71 -0.57 1.36 1.48 0.00 0.00 0.00 173.10 176.08 2omj h SER 76 N 2.51 0.19 -3.63 1.64 4.64 -1.83 -3.41 113.55 113.64 2omj h SER 76 Ca -0.33 -0.42 -0.66 0.00 -0.47 0.00 0.00 61.79 59.91 2omj h SER 76 Cb 1.23 -0.05 -0.16 0.00 -0.31 0.00 0.00 62.40 63.11 2omj h SER 76 CO 0.49 0.57 -0.19 -0.31 -0.87 0.00 0.00 176.83 176.52 2omj s TYR 77 N -4.51 3.20 -0.01 4.77 2.02 -1.26 -0.58 117.35 120.97 2omj s TYR 77 Ca -0.15 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.62 2omj s TYR 77 Cb 0.04 -2.78 -0.01 0.00 -0.40 0.00 0.00 41.96 38.81 2omj s TYR 77 CO 0.71 -0.49 -0.15 0.54 -1.57 0.00 0.00 175.55 174.59 2omj s VAL 78 N 2.17 1.18 -0.26 0.71 0.11 -0.97 -5.02 120.40 118.32 2omj s VAL 78 Ca 0.14 -0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 58.55 2omj s VAL 78 Cb -0.16 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.73 2omj s VAL 78 CO 0.12 0.33 -0.05 0.00 -3.33 0.00 0.00 175.10 172.18 2omj s ALA 79 N -0.30 2.72 -0.19 1.54 0.00 -1.26 -1.71 121.76 122.57 2omj s ALA 79 Ca 0.05 -1.51 0.01 0.00 0.00 0.00 0.00 51.96 50.50 2omj s ALA 79 Cb -0.06 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.34 2omj s ALA 79 CO -0.00 -0.89 -0.18 -0.51 0.00 0.00 0.00 175.76 174.17 2omj s LEU 80 N 1.31 2.23 -0.36 0.00 1.02 -1.23 -0.18 118.68 121.48 2omj s LEU 80 Ca -0.01 -0.65 -0.29 0.00 0.02 0.00 0.00 54.13 53.21 2omj s LEU 80 Cb -0.17 -1.51 0.01 0.00 0.02 0.00 0.00 46.19 44.55 2omj s LEU 80 CO -0.04 -0.01 1.22 -0.89 0.02 0.00 0.00 176.35 176.65 2omj s THR 81 N 1.30 4.22 0.46 5.49 2.01 0.30 -3.51 115.64 125.91 2omj s THR 81 Ca 0.05 1.35 0.06 0.00 0.31 0.00 0.00 61.69 63.46 2omj s THR 81 Cb -0.13 -4.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.02 2omj s THR 81 CO -0.12 -0.64 0.25 0.68 -0.69 0.00 0.00 174.62 174.11 2omj s VAL 82 N 4.34 2.09 -0.01 3.82 -7.23 -1.05 0.10 120.40 122.45 2omj s VAL 82 Ca 0.52 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 2omj s VAL 82 Cb -0.13 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.11 2omj s VAL 82 CO 0.24 0.00 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.40 2omj s GLN 83 N -4.03 0.53 0.00 4.82 0.74 0.25 -1.79 119.66 120.17 2omj s GLN 83 Ca 0.37 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.62 2omj s GLN 83 Cb 0.01 -0.53 0.00 0.00 1.10 0.00 0.00 33.01 33.59 2omj s GLN 83 CO 0.21 0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.43 2omj n GLY 84 N 3.26 3.19 3.79 2.59 0.00 -0.56 -2.28 105.19 115.18 2omj n GLY 84 Ca -0.17 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 2omj n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2omj s ARG 85 N -0.43 4.12 0.38 1.61 3.52 -1.26 -4.84 118.95 122.05 2omj s ARG 85 Ca 0.00 0.49 -0.26 0.00 -0.13 0.00 0.00 55.73 55.83 2omj s ARG 85 Cb 0.00 -3.30 -0.11 0.00 -1.56 0.00 0.00 34.95 29.98 2omj s ARG 85 CO 0.00 0.50 1.09 -2.30 -0.81 0.00 0.00 175.30 173.78 2omj n PRO 86 N 2.43 1.55 -0.85 5.12 -0.02 -1.26 -4.99 135.00 136.98 2omj n PRO 86 Ca -0.11 0.55 -0.18 0.00 -2.02 0.00 0.00 63.50 61.74 2omj n PRO 86 Cb 0.52 -2.09 0.14 0.00 -0.02 0.00 0.00 33.50 32.05 2omj n PRO 86 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2omj n PRO 87 N 0.33 -1.66 0.11 0.52 -0.04 -1.26 -4.97 135.00 128.02 2omj n PRO 87 Ca 0.08 -1.13 -0.02 0.00 -0.04 0.00 0.00 63.50 62.39 2omj n PRO 87 Cb 0.37 -0.92 0.03 0.00 -0.04 0.00 0.00 33.50 32.94 2omj n PRO 87 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2omj h GLY 88 N -1.51 0.00 -1.25 0.55 0.00 -2.08 -3.57 103.07 95.21 2omj h GLY 88 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2omj h GLY 88 CO 0.17 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.15