#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 2.75 -0.97 1.61 0.15 -1.26 -4.98 113.70 110.99 2omj s SER 2 Ca 0.00 -0.86 -0.14 0.00 0.70 0.00 0.00 55.95 55.66 2omj s SER 2 Cb 0.00 -0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 64.06 2omj s SER 2 CO 0.00 -0.02 2.11 1.57 1.20 0.00 0.00 173.24 178.10 2omj n HIS 3 N 0.31 1.90 -0.04 3.44 -0.00 -1.26 -4.05 115.22 115.52 2omj n HIS 3 Ca -0.13 -2.10 -0.05 0.00 0.46 0.00 0.00 57.72 55.90 2omj n HIS 3 Cb 0.57 -1.85 -0.04 0.00 -0.12 0.00 0.00 29.99 28.55 2omj n HIS 3 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 2omj n MET 4 N 5.52 1.43 0.00 1.57 0.00 -1.26 -5.02 117.12 119.36 2omj n MET 4 Ca 0.50 0.02 0.00 0.00 -0.00 0.00 0.00 57.70 58.22 2omj n MET 4 Cb 0.28 -1.16 0.00 0.00 0.00 0.00 0.00 33.22 32.34 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 2.89 0.43 2.84 -5.12 0.00 -1.26 -5.11 105.19 99.86 2omj n GLY 5 Ca -0.13 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 1.57 -0.23 0.99 2.96 -1.26 -4.87 118.68 117.83 2omj s LEU 6 Ca 0.00 -0.78 0.02 0.00 -0.22 0.00 0.00 54.13 53.15 2omj s LEU 6 Cb 0.00 -0.82 0.05 0.00 0.50 0.00 0.00 46.19 45.93 2omj s LEU 6 CO 0.00 -0.24 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.00 2omj s VAL 7 N 1.69 1.90 0.04 1.68 1.01 -1.26 -4.39 120.40 121.07 2omj s VAL 7 Ca -0.01 -1.34 0.09 0.00 0.00 0.00 0.00 61.98 60.72 2omj s VAL 7 Cb -0.16 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 2omj s VAL 7 CO -0.07 0.05 -0.25 -1.58 0.00 0.00 0.00 175.10 173.25 2omj s GLN 8 N 1.25 1.68 -0.05 2.72 0.74 -1.26 -2.96 119.66 121.78 2omj s GLN 8 Ca -0.05 -1.05 -0.12 0.00 0.05 0.00 0.00 55.36 54.18 2omj s GLN 8 Cb -0.18 -1.83 0.02 0.00 1.10 0.00 0.00 33.01 32.12 2omj s GLN 8 CO -0.07 0.47 0.28 0.50 -0.55 0.00 0.00 175.29 175.93 2omj s ARG 9 N -1.20 0.54 -0.10 1.67 3.52 -0.83 -4.65 118.95 117.89 2omj s ARG 9 Ca 0.10 -0.01 -0.02 0.00 -0.13 0.00 0.00 55.73 55.67 2omj s ARG 9 Cb -0.10 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 2omj s ARG 9 CO 0.02 -0.13 -0.01 0.00 -0.81 0.00 0.00 175.30 174.38 2omj s VAL 11 N -0.54 0.21 -0.41 0.00 1.01 -1.22 -4.99 120.40 114.47 2omj s VAL 11 Ca 0.09 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 2omj s VAL 11 Cb -0.12 -0.34 0.04 0.00 0.00 0.00 0.00 36.38 35.96 2omj s VAL 11 CO 0.02 0.19 0.27 -0.63 0.00 0.00 0.00 175.10 174.95 2omj s ILE 12 N 1.43 4.79 0.05 2.22 1.01 -1.26 -3.47 121.20 125.98 2omj s ILE 12 Ca -0.04 -0.94 -0.21 0.00 0.00 0.00 0.00 60.65 59.46 2omj s ILE 12 Cb -0.13 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 2omj s ILE 12 CO -0.03 -0.36 0.64 -0.63 0.00 0.00 0.00 174.94 174.56 2omj s ILE 13 N 1.58 4.74 -0.07 2.92 1.09 -0.91 -4.85 121.20 125.70 2omj s ILE 13 Ca 0.03 1.35 0.00 0.00 -1.10 0.00 0.00 60.65 60.94 2omj s ILE 13 Cb -0.21 -3.98 -0.03 0.00 -1.06 0.00 0.00 42.46 37.19 2omj s ILE 13 CO 0.07 0.47 -0.06 -1.10 -0.10 0.00 0.00 174.94 174.23 2omj s GLN 14 N -0.64 2.79 0.36 2.79 1.11 -1.26 -2.05 119.66 122.77 2omj s GLN 14 Ca 0.32 -0.52 -0.26 0.00 0.01 0.00 0.00 55.36 54.90 2omj s GLN 14 Cb -0.20 -2.63 -0.09 0.00 -1.01 0.00 0.00 33.01 29.08 2omj s GLN 14 CO 0.20 0.67 1.12 0.21 0.01 0.00 0.00 175.29 177.51 2omj s LYS 15 N -0.82 4.28 0.10 2.91 2.20 -0.55 -4.81 119.74 123.06 2omj s LYS 15 Ca 0.13 1.77 0.01 0.00 -0.36 0.00 0.00 55.97 57.51 2omj s LYS 15 Cb -0.11 -2.83 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 2omj s LYS 15 CO 0.02 -0.10 0.07 -0.25 -0.36 0.00 0.00 175.35 174.72 2omj n ASP 16 N 0.43 1.42 0.16 1.43 9.92 -1.26 -4.94 116.55 123.70 2omj n ASP 16 Ca 0.03 -1.36 0.05 0.00 -0.53 0.00 0.00 54.79 52.98 2omj n ASP 16 Cb 0.46 0.00 0.51 0.00 -0.64 0.00 0.00 41.12 41.45 2omj n ASP 16 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2omj h ASP 17 N 0.13 0.16 0.12 -2.24 3.32 -2.06 -2.96 116.42 112.90 2omj h ASP 17 Ca -0.07 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.61 2omj h ASP 17 Cb 0.24 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 2omj h ASP 17 CO 0.11 0.20 -2.21 0.59 -1.72 0.00 0.00 179.24 176.21 2omj n ASN 18 N -4.43 1.26 0.00 6.45 3.02 -1.26 -5.11 115.26 115.19 2omj n ASN 18 Ca -0.01 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2omj n ASN 18 Cb 0.15 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.93 1.07 3.60 7.41 0.00 -1.12 -5.01 105.19 113.07 2omj n GLY 19 Ca -0.34 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.04 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 -1.08 1.20 0.19 1.61 0.08 -1.26 -4.29 117.98 114.43 2omj s PHE 20 Ca 0.00 0.60 -0.04 0.00 0.12 0.00 0.00 56.93 57.61 2omj s PHE 20 Cb 0.00 -3.92 0.13 0.00 -0.57 0.00 0.00 43.02 38.65 2omj s PHE 20 CO 0.00 -3.93 1.53 0.78 -0.10 0.00 0.00 175.22 173.50 2omj h GLY 21 N 15.23 0.67 -4.50 4.36 0.00 -1.94 -3.44 103.07 113.44 2omj h GLY 21 Ca -0.40 -0.73 -0.53 0.00 0.00 0.00 0.00 47.33 45.67 2omj h GLY 21 CO 0.97 0.65 0.93 1.47 0.00 0.00 0.00 176.54 180.57 2omj n LEU 22 N -4.00 4.14 -4.64 3.11 -0.00 -1.26 -4.63 117.00 109.71 2omj n LEU 22 Ca -0.03 1.11 -0.35 0.00 -0.00 0.00 0.00 56.01 56.74 2omj n LEU 22 Cb 0.57 -1.58 -0.10 0.00 -0.00 0.00 0.00 43.42 42.31 2omj n LEU 22 CO 0.47 0.14 -0.29 -0.89 -0.00 0.00 0.00 177.39 176.82 2omj s THR 23 N 0.54 4.49 0.09 1.47 2.01 -0.39 -4.94 115.64 118.91 2omj s THR 23 Ca 0.69 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.62 2omj s THR 23 Cb -0.51 -2.96 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2omj s THR 23 CO 0.41 0.53 -0.16 0.68 -0.69 0.00 0.00 174.62 175.38 2omj s VAL 24 N -0.16 2.94 -0.12 3.82 -7.23 -1.26 -2.15 120.40 116.23 2omj s VAL 24 Ca 0.06 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 58.79 2omj s VAL 24 Cb -0.12 -2.32 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2omj s VAL 24 CO 0.02 0.19 0.31 -0.55 -0.31 0.00 0.00 175.10 174.76 2omj s SER 25 N -1.90 -0.33 0.00 4.85 0.15 -0.93 -4.94 113.70 110.60 2omj s SER 25 Ca 0.17 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2omj s SER 25 Cb -0.11 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2omj s SER 25 CO 0.09 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2omj n GLY 26 N 3.09 1.37 0.00 9.45 0.00 -1.26 -3.76 105.19 114.08 2omj n GLY 26 Ca -0.14 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2omj n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2omj n ASP 27 N 0.00 0.00 -0.05 1.61 2.03 -1.26 -4.39 116.55 114.49 2omj n ASP 27 Ca 0.00 0.94 -0.00 0.00 0.52 0.00 0.00 54.79 56.25 2omj n ASP 27 Cb 0.00 -0.44 -0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 -1.62 1.67 2.35 -1.96 -3.40 115.58 112.62 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 0.50 0.00 -0.81 -1.65 0.00 0.00 177.43 175.47 2omj n PRO 29 N -4.78 0.03 -3.37 0.81 -0.04 -1.26 -4.41 135.00 121.98 2omj n PRO 29 Ca -0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 2omj n PRO 29 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 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 -0.84 -0.40 0.09 0.52 1.01 -1.26 -4.42 120.40 115.09 2omj s VAL 30 Ca 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.36 2omj s VAL 30 Cb 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2omj s VAL 30 CO 0.00 -0.50 -0.23 0.72 0.00 0.00 0.00 175.10 175.09 2omj s PHE 31 N 1.92 1.98 -0.15 5.22 -0.12 -1.25 -0.30 117.98 125.29 2omj s PHE 31 Ca 0.13 -0.40 -0.20 0.00 -0.05 0.00 0.00 56.93 56.42 2omj s PHE 31 Cb -0.14 -1.11 -0.03 0.00 -0.63 0.00 0.00 43.02 41.10 2omj s PHE 31 CO -0.18 0.21 0.57 0.08 -0.05 0.00 0.00 175.22 175.85 2omj s VAL 32 N -1.02 5.10 -0.21 -2.49 1.01 0.13 -2.20 120.40 120.72 2omj s VAL 32 Ca 0.09 1.10 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 2omj s VAL 32 Cb -0.10 -3.89 -0.20 0.00 0.00 0.00 0.00 36.38 32.19 2omj s VAL 32 CO 0.04 0.21 0.02 0.00 0.00 0.00 0.00 175.10 175.37 2omj n GLN 33 N 4.37 0.67 -4.80 2.72 6.02 -0.92 0.12 117.38 125.57 2omj n GLN 33 Ca -0.04 0.26 -0.30 0.00 -0.01 0.00 0.00 57.00 56.91 2omj n GLN 33 Cb 0.51 -1.61 -0.14 0.00 1.02 0.00 0.00 30.24 30.01 2omj n GLN 33 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2omj s SER 34 N -6.89 3.30 0.03 1.08 1.04 -0.96 -3.50 113.70 107.80 2omj s SER 34 Ca -0.30 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.59 2omj s SER 34 Cb 0.09 -0.34 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 2omj s SER 34 CO 0.64 0.25 -0.13 0.68 0.98 0.00 0.00 173.24 175.66 2omj s VAL 35 N -0.86 1.04 -0.19 5.02 -7.23 -1.26 -1.27 120.40 115.65 2omj s VAL 35 Ca 0.13 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 59.12 2omj s VAL 35 Cb -0.10 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2omj s VAL 35 CO 0.03 0.04 1.81 -0.75 -0.31 0.00 0.00 175.10 175.92 2omj s LYS 36 N -0.96 3.68 0.18 4.82 2.20 -1.26 -4.78 119.74 123.62 2omj s LYS 36 Ca 0.02 1.87 -0.27 0.00 -0.36 0.00 0.00 55.97 57.23 2omj s LYS 36 Cb -0.07 -4.14 -0.08 0.00 -1.51 0.00 0.00 37.83 32.03 2omj s LYS 36 CO 0.01 -1.45 0.83 -1.21 -0.36 0.00 0.00 175.35 173.17 2omj s GLU 37 N 5.05 4.65 -1.72 4.03 2.02 -1.26 -1.09 118.70 130.37 2omj s GLU 37 Ca 0.81 1.25 -0.00 0.00 0.02 0.00 0.00 54.97 57.05 2omj s GLU 37 Cb -0.29 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.66 2omj s GLU 37 CO 0.33 0.53 0.01 -3.47 0.02 0.00 0.00 175.26 172.67 2omj n ASP 38 N 1.69 -5.76 0.00 -0.19 2.03 -1.26 -4.90 116.55 108.16 2omj n ASP 38 Ca -0.04 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2omj n ASP 38 Cb 0.48 -4.80 0.00 0.00 -0.72 0.00 0.00 41.12 36.09 2omj n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2omj n GLY 39 N -1.00 5.93 0.35 0.27 0.00 -1.24 -4.95 105.19 104.54 2omj n GLY 39 Ca -0.24 -1.58 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 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 1.33 -0.13 4.61 0.00 -1.87 0.94 119.26 125.14 2omj h ALA 40 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2omj h ALA 40 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2omj h ALA 40 CO 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.76 2omj h ALA 41 N 1.42 0.19 -0.13 0.00 0.00 -1.88 -1.06 119.26 117.80 2omj h ALA 41 Ca 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2omj h ALA 41 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2omj h ALA 41 CO -0.05 -0.04 0.04 1.98 0.00 0.00 0.00 179.25 181.18 2omj h MET 42 N -0.06 0.21 -0.04 0.00 -1.53 -0.87 -2.48 114.93 110.16 2omj h MET 42 Ca 0.03 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.22 2omj h MET 42 Cb 0.51 -0.03 -0.00 0.00 -0.55 0.00 0.00 31.60 31.52 2omj h MET 42 CO 0.02 0.35 -0.09 -0.09 0.14 0.00 0.00 176.91 177.24 2omj h ARG 43 N 0.03 0.05 0.00 0.39 1.12 -0.85 -0.99 114.38 114.13 2omj h ARG 43 Ca 0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2omj h ARG 43 Cb 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.18 2omj h ARG 43 CO -0.00 0.15 0.00 0.00 -3.11 0.00 0.00 179.97 177.00 2omj h ALA 44 N 1.86 1.00 -0.31 2.80 0.00 -0.86 -3.46 119.26 120.29 2omj h ALA 44 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2omj h ALA 44 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2omj h ALA 44 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2omj n GLY 45 N 0.15 0.93 3.86 0.00 0.00 -0.38 -4.69 105.19 105.06 2omj n GLY 45 Ca 0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2omj n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2omj s VAL 46 N -2.31 4.67 -0.03 1.61 0.11 -0.96 -4.97 120.40 118.52 2omj s VAL 46 Ca 0.00 0.94 0.05 0.00 -2.93 0.00 0.00 61.98 60.04 2omj s VAL 46 Cb 0.00 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.00 2omj s VAL 46 CO 0.00 -1.06 -0.18 -1.10 -3.33 0.00 0.00 175.10 169.43 2omj s GLN 47 N -4.98 1.64 0.11 1.54 -0.21 -1.26 -4.88 119.66 111.63 2omj s GLN 47 Ca 0.56 -0.65 -0.31 0.00 0.02 0.00 0.00 55.36 54.98 2omj s GLN 47 Cb -0.11 -1.51 -0.07 0.00 1.00 0.00 0.00 33.01 32.31 2omj s GLN 47 CO 0.50 0.34 1.34 -0.08 -2.12 0.00 0.00 175.29 175.26 2omj s THR 48 N -0.24 3.47 0.00 -0.19 -1.32 -1.26 -2.93 115.64 113.16 2omj s THR 48 Ca 0.03 1.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.57 2omj s THR 48 Cb -0.09 -3.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 2omj s THR 48 CO 0.01 0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 2omj n GLY 49 N 3.32 0.50 3.79 6.08 0.00 0.33 -4.98 105.19 114.22 2omj n GLY 49 Ca 0.10 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.91 7.09 -0.01 1.61 -1.08 -0.69 -4.82 116.67 115.86 2omj s ASP 50 Ca 0.00 1.29 -0.20 0.00 -0.52 0.00 0.00 52.55 53.12 2omj s ASP 50 Cb 0.00 -2.38 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 2omj s ASP 50 CO 0.00 0.21 0.56 -0.60 0.52 0.00 0.00 175.17 175.86 2omj s ARG 51 N -0.81 4.27 -0.20 4.34 3.52 -0.86 0.19 118.95 129.40 2omj s ARG 51 Ca 0.31 0.67 -0.16 0.00 -0.13 0.00 0.00 55.73 56.42 2omj s ARG 51 Cb -0.20 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 2omj s ARG 51 CO 0.20 0.40 0.40 0.42 -0.81 0.00 0.00 175.30 175.91 2omj s ILE 52 N -0.27 5.20 -0.21 4.11 1.01 0.59 0.11 121.20 131.74 2omj s ILE 52 Ca 0.29 0.71 0.09 0.00 0.00 0.00 0.00 60.65 61.75 2omj s ILE 52 Cb -0.18 -3.73 -0.22 0.00 0.01 0.00 0.00 42.46 38.35 2omj s ILE 52 CO 0.16 0.25 0.00 -0.38 0.00 0.00 0.00 174.94 174.97 2omj n ILE 53 N 4.34 1.47 -3.85 2.92 5.41 0.18 -4.52 119.36 125.32 2omj n ILE 53 Ca -0.08 -0.72 -0.12 0.00 1.00 0.00 0.00 62.75 62.83 2omj n ILE 53 Cb 0.51 -1.00 -0.12 0.00 -0.71 0.00 0.00 39.64 38.32 2omj n ILE 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2omj s LYS 54 N -2.51 0.19 -0.17 0.38 1.02 -0.80 -4.00 119.74 113.83 2omj s LYS 54 Ca -0.21 0.02 0.00 0.00 0.02 0.00 0.00 55.97 55.81 2omj s LYS 54 Cb 0.07 0.08 0.03 0.00 -0.52 0.00 0.00 37.83 37.50 2omj s LYS 54 CO 0.73 -0.03 -0.11 0.08 -0.92 0.00 0.00 175.35 175.09 2omj s VAL 55 N -0.24 1.53 -1.72 3.17 1.01 -1.24 0.48 120.40 123.38 2omj s VAL 55 Ca -0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2omj s VAL 55 Cb -0.02 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2omj s VAL 55 CO 0.00 0.29 0.09 0.59 0.00 0.00 0.00 175.10 176.07 2omj n ASN 56 N 4.75 -5.85 -2.02 3.32 3.02 0.13 -1.33 115.26 117.28 2omj n ASN 56 Ca -0.15 -0.05 -0.19 0.00 -0.03 0.00 0.00 54.58 54.16 2omj n ASN 56 Cb 0.48 -4.85 -0.03 0.00 -0.61 0.00 0.00 39.78 34.77 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 -1.08 0.19 0.27 7.41 0.00 -1.25 -4.86 105.19 105.88 2omj n GLY 57 Ca -0.22 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.81 2omj n GLY 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2omj n THR 58 N -3.59 1.88 -2.26 2.61 -1.04 -0.44 -5.11 114.28 106.32 2omj n THR 58 Ca -0.22 -2.46 0.00 0.00 -2.04 0.00 0.00 64.05 59.33 2omj n THR 58 Cb 0.67 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 2omj n THR 58 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2omj n LEU 59 N -1.25 0.00 -3.43 -4.42 4.77 -1.26 -4.78 117.00 106.62 2omj n LEU 59 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2omj n LEU 59 Cb 0.67 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2omj n LEU 59 CO -0.01 -0.63 0.20 0.54 -1.33 0.00 0.00 177.39 176.16 2omj s VAL 60 N 0.00 -0.97 -0.05 4.08 0.11 -1.26 -3.71 120.40 118.60 2omj s VAL 60 Ca 0.00 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 59.01 2omj s VAL 60 Cb 0.00 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 2omj s VAL 60 CO 0.00 -0.00 -0.09 0.35 -3.33 0.00 0.00 175.10 172.03 2omj n THR 61 N 5.44 0.44 -3.64 5.04 -2.24 -1.26 -5.02 114.28 113.04 2omj n THR 61 Ca -0.07 0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 62.04 2omj n THR 61 Cb 0.50 -1.76 -0.07 0.00 -2.10 0.00 0.00 70.33 66.90 2omj n THR 61 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2omj s HIS 62 N -1.53 -0.96 0.03 4.78 -3.43 -1.26 -4.85 115.29 108.07 2omj s HIS 62 Ca -0.08 1.94 -0.27 0.00 -0.80 0.00 0.00 55.06 55.85 2omj s HIS 62 Cb 0.01 0.57 0.08 0.00 -1.43 0.00 0.00 32.58 31.82 2omj s HIS 62 CO 0.11 -0.48 0.74 -1.12 -2.00 0.00 0.00 174.74 171.99 2omj s SER 63 N 1.53 -0.52 0.86 7.38 0.01 -1.26 -5.13 113.70 116.57 2omj s SER 63 Ca -0.09 0.23 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 2omj s SER 63 Cb -0.05 0.50 0.18 0.00 0.21 0.00 0.00 66.02 66.85 2omj s SER 63 CO -0.18 -0.72 1.17 0.20 0.41 0.00 0.00 173.24 174.12 2omj s ASN 64 N -2.10 3.62 0.10 2.44 0.01 -1.26 -4.80 114.94 112.95 2omj s ASN 64 Ca -0.01 -0.12 -0.22 0.00 -0.71 0.00 0.00 52.86 51.79 2omj s ASN 64 Cb -0.01 -0.04 -0.13 0.00 0.41 0.00 0.00 41.25 41.49 2omj s ASN 64 CO -0.04 -2.37 1.74 -0.74 -1.51 0.00 0.00 177.10 174.17 2omj h HIS 65 N -1.13 0.00 -0.76 2.20 6.17 -1.93 -0.89 115.15 118.82 2omj h HIS 65 Ca -0.40 0.00 0.08 0.00 0.71 0.00 0.00 60.37 60.76 2omj h HIS 65 Cb 1.24 0.00 -0.07 0.00 2.52 0.00 0.00 27.41 31.11 2omj h HIS 65 CO -0.77 -0.00 0.42 -0.07 0.71 0.00 0.00 177.93 178.22 2omj h LEU 66 N 0.02 0.61 -0.50 0.26 4.07 -1.98 0.35 115.31 118.14 2omj h LEU 66 Ca 0.02 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 2omj h LEU 66 Cb 0.02 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 2omj h LEU 66 CO -0.02 0.37 0.23 -0.33 -1.08 0.00 0.00 178.44 177.61 2omj h GLU 67 N 0.74 0.73 -0.25 1.13 4.39 -1.85 0.35 114.58 119.82 2omj h GLU 67 Ca 0.35 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 2omj h GLU 67 Cb 0.28 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2omj h GLU 67 CO -0.22 0.62 0.07 0.28 -1.16 0.00 0.00 179.01 178.60 2omj h VAL 68 N 0.66 1.20 -0.66 3.13 2.07 -0.23 0.34 116.25 122.77 2omj h VAL 68 Ca 0.17 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2omj h VAL 68 Cb 0.14 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2omj h VAL 68 CO -0.02 0.21 0.40 0.58 0.02 0.00 0.00 177.57 178.76 2omj h VAL 69 N 0.23 1.19 -0.54 2.57 2.07 -0.11 0.31 116.25 121.97 2omj h VAL 69 Ca 0.08 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 2omj h VAL 69 Cb 0.25 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2omj h VAL 69 CO -0.00 0.19 -0.00 0.11 0.02 0.00 0.00 177.57 177.88 2omj h LYS 70 N 0.89 0.93 -0.35 1.57 1.57 -0.06 0.35 116.57 121.47 2omj h LYS 70 Ca 0.24 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2omj h LYS 70 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2omj h LYS 70 CO -0.05 0.92 -0.07 1.25 -0.57 0.00 0.00 179.45 180.93 2omj h LEU 71 N 0.85 0.67 -0.53 2.94 6.46 0.37 0.42 115.31 126.50 2omj h LEU 71 Ca 0.16 -0.36 -0.16 0.00 -0.12 0.00 0.00 57.88 57.41 2omj h LEU 71 Cb 0.51 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2omj h LEU 71 CO 0.03 0.87 -0.51 0.40 -0.62 0.00 0.00 178.44 178.60 2omj h ILE 72 N 0.46 1.31 0.00 4.05 2.04 -0.21 -2.90 117.51 122.26 2omj h ILE 72 Ca 0.09 -1.73 -0.01 0.00 1.00 0.00 0.00 64.86 64.21 2omj h ILE 72 Cb 0.57 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 2omj h ILE 72 CO 0.03 0.54 -0.04 0.11 0.00 0.00 0.00 178.15 178.79 2omj h LYS 73 N 0.47 0.00 -0.80 2.37 1.57 -0.19 -3.19 116.57 116.80 2omj h LYS 73 Ca 0.02 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.03 2omj h LYS 73 Cb 1.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.33 2omj h LYS 73 CO 0.10 0.04 0.68 1.03 -0.57 0.00 0.00 179.45 180.74 2omj h SER 74 N 0.00 0.00 -4.70 0.86 0.87 -0.69 -3.41 113.55 106.49 2omj h SER 74 Ca -0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2omj h SER 74 Cb 0.75 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.49 2omj h SER 74 CO 0.01 0.00 -0.45 -0.83 -0.53 0.00 0.00 176.83 175.02 2omj s GLY 75 N -3.88 -0.03 0.19 5.77 0.00 -1.20 -5.05 107.32 103.12 2omj s GLY 75 Ca -0.04 0.11 -0.12 0.00 0.00 0.00 0.00 44.72 44.67 2omj s GLY 75 CO 0.66 -0.03 1.86 1.48 0.00 0.00 0.00 173.10 177.07 2omj h SER 76 N 4.58 0.72 -3.67 1.64 4.64 -1.83 -3.39 113.55 116.24 2omj h SER 76 Ca -0.29 -0.01 -0.68 0.00 -0.47 0.00 0.00 61.79 60.34 2omj h SER 76 Cb 1.19 -0.17 -0.21 0.00 -0.31 0.00 0.00 62.40 62.89 2omj h SER 76 CO 0.40 0.52 -0.53 -0.31 -0.87 0.00 0.00 176.83 176.03 2omj s TYR 77 N -6.14 3.20 -0.27 4.77 1.51 -1.26 -1.48 117.35 117.68 2omj s TYR 77 Ca -0.13 -0.48 -0.02 0.00 -1.01 0.00 0.00 57.07 55.43 2omj s TYR 77 Cb 0.14 -2.40 0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2omj s TYR 77 CO 0.76 -0.44 -0.04 0.54 -1.11 0.00 0.00 175.55 175.27 2omj s VAL 78 N 1.64 2.94 -0.45 0.71 0.11 -0.87 -5.02 120.40 119.46 2omj s VAL 78 Ca 0.05 -1.14 -0.13 0.00 -2.93 0.00 0.00 61.98 57.83 2omj s VAL 78 Cb -0.17 -2.56 0.08 0.00 -1.53 0.00 0.00 36.38 32.20 2omj s VAL 78 CO 0.08 0.09 0.34 0.00 -3.33 0.00 0.00 175.10 172.28 2omj s ALA 79 N 1.30 3.45 -0.06 1.54 0.00 -1.26 -2.14 121.76 124.59 2omj s ALA 79 Ca -0.02 -2.18 0.05 0.00 0.00 0.00 0.00 51.96 49.81 2omj s ALA 79 Cb -0.18 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 2omj s ALA 79 CO -0.03 -1.72 -0.21 -0.48 0.00 0.00 0.00 175.76 173.32 2omj s LEU 80 N 1.54 1.98 -0.19 0.00 0.05 -1.23 0.21 118.68 121.03 2omj s LEU 80 Ca 0.04 -0.44 -0.25 0.00 0.05 0.00 0.00 54.13 53.53 2omj s LEU 80 Cb -0.24 -1.17 -0.01 0.00 -2.05 0.00 0.00 46.19 42.71 2omj s LEU 80 CO 0.04 0.18 0.83 -0.89 -0.55 0.00 0.00 176.35 175.96 2omj s THR 81 N 0.06 4.87 0.40 5.48 2.01 0.18 -3.37 115.64 125.27 2omj s THR 81 Ca -0.07 1.60 0.07 0.00 0.31 0.00 0.00 61.69 63.61 2omj s THR 81 Cb -0.14 -4.13 -0.06 0.00 0.01 0.00 0.00 72.50 68.18 2omj s THR 81 CO 0.04 0.00 0.08 0.68 -0.69 0.00 0.00 174.62 174.73 2omj s VAL 82 N 2.34 2.22 -0.02 3.82 -7.23 -0.78 0.50 120.40 121.25 2omj s VAL 82 Ca 0.37 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.69 2omj s VAL 82 Cb -0.16 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.83 2omj s VAL 82 CO 0.11 -0.03 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.24 2omj s GLN 83 N -3.79 0.58 -0.07 4.82 0.74 0.29 -1.97 119.66 120.26 2omj s GLN 83 Ca 0.38 -0.13 -0.25 0.00 0.05 0.00 0.00 55.36 55.41 2omj s GLN 83 Cb 0.06 -0.60 -0.20 0.00 1.10 0.00 0.00 33.01 33.36 2omj s GLN 83 CO 0.20 0.01 0.98 0.78 -0.55 0.00 0.00 175.29 176.71 2omj h GLY 84 N 6.63 -0.06 -3.50 2.59 0.00 -1.83 -2.28 103.07 104.60 2omj h GLY 84 Ca -0.35 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2omj h GLY 84 CO 0.49 -0.02 -0.87 0.54 0.00 0.00 0.00 176.54 176.67 2omj n ARG 85 N -4.80 -4.19 -0.09 4.80 5.12 -1.26 -4.71 116.66 111.54 2omj n ARG 85 Ca -0.09 3.16 -0.06 0.00 -1.93 0.00 0.00 57.85 58.93 2omj n ARG 85 Cb 0.32 -3.66 0.00 0.00 -1.16 0.00 0.00 32.46 27.96 2omj n ARG 85 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2omj h PRO 86 N 1.15 0.09 0.00 5.56 0.11 -1.96 -3.44 132.00 133.52 2omj h PRO 86 Ca 0.00 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.91 2omj h PRO 86 Cb 0.26 -0.02 0.08 0.00 0.11 0.00 0.00 31.00 31.44 2omj h PRO 86 CO 0.00 0.06 0.14 -0.35 -0.21 0.00 0.00 178.00 177.64 2omj n PRO 87 N -5.16 -1.15 -0.12 1.05 -0.04 -1.26 -5.04 135.00 123.28 2omj n PRO 87 Ca 0.00 -0.89 -0.16 0.00 -0.04 0.00 0.00 63.50 62.41 2omj n PRO 87 Cb 0.16 -0.68 -0.12 0.00 -0.04 0.00 0.00 33.50 32.82 2omj n PRO 87 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2omj n GLY 88 N 0.25 -0.47 3.97 0.55 0.00 -1.26 -5.07 105.19 103.17 2omj n GLY 88 Ca 0.07 -0.20 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