#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 0.00 -0.07 1.61 7.64 -1.26 -2.95 113.62 118.59 2omj n SER 2 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 2omj n SER 2 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2omj n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2omj n HIS 3 N 0.00 0.57 -1.12 1.43 -0.00 -1.26 -3.85 115.22 110.98 2omj n HIS 3 Ca 0.00 0.12 -0.25 0.00 -0.00 0.00 0.00 57.72 57.59 2omj n HIS 3 Cb 0.00 -1.07 0.14 0.00 -0.00 0.00 0.00 29.99 29.06 2omj n HIS 3 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2omj n MET 4 N -3.36 2.27 0.00 -0.41 0.00 -1.15 -4.40 117.12 110.07 2omj n MET 4 Ca -0.40 -2.86 0.00 0.00 -0.00 0.00 0.00 57.70 54.44 2omj n MET 4 Cb 1.02 -2.12 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 -0.95 -0.01 2.68 -5.12 0.00 -1.26 -4.22 105.19 96.31 2omj n GLY 5 Ca 0.56 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 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 -5.21 1.62 -0.28 0.99 1.43 -1.25 -4.37 118.68 111.61 2omj s LEU 6 Ca 0.00 -1.43 -0.10 0.00 -1.03 0.00 0.00 54.13 51.56 2omj s LEU 6 Cb 0.00 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 2omj s LEU 6 CO 0.00 -0.41 0.17 0.68 0.23 0.00 0.00 176.35 177.02 2omj s VAL 7 N 1.79 5.05 -0.09 -1.59 -7.23 -1.24 -4.75 120.40 112.32 2omj s VAL 7 Ca 0.08 0.01 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 2omj s VAL 7 Cb -0.17 -3.43 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 2omj s VAL 7 CO -0.26 0.23 0.03 -1.58 -0.31 0.00 0.00 175.10 173.20 2omj s GLN 8 N 1.72 3.09 -0.12 4.82 0.74 -1.26 -2.29 119.66 126.35 2omj s GLN 8 Ca 0.07 -0.35 -0.10 0.00 0.05 0.00 0.00 55.36 55.03 2omj s GLN 8 Cb -0.16 -2.88 0.03 0.00 1.10 0.00 0.00 33.01 31.11 2omj s GLN 8 CO 0.09 0.71 0.31 1.03 -0.55 0.00 0.00 175.29 176.88 2omj s ARG 9 N -0.90 0.34 -0.49 1.67 0.52 -0.87 -5.03 118.95 114.18 2omj s ARG 9 Ca 0.13 0.47 -0.21 0.00 -0.52 0.00 0.00 55.73 55.60 2omj s ARG 9 Cb -0.11 0.12 0.04 0.00 0.52 0.00 0.00 34.95 35.52 2omj s ARG 9 CO 0.03 -0.07 0.73 0.00 0.02 0.00 0.00 175.30 176.01 2omj s VAL 11 N 3.08 4.83 -0.29 0.00 -7.23 -1.10 -4.96 120.40 114.73 2omj s VAL 11 Ca 0.22 0.91 0.02 0.00 -1.81 0.00 0.00 61.98 61.33 2omj s VAL 11 Cb -0.15 -3.77 0.08 0.00 0.56 0.00 0.00 36.38 33.10 2omj s VAL 11 CO 0.17 0.31 -0.01 -0.63 -0.31 0.00 0.00 175.10 174.63 2omj s ILE 12 N -1.39 1.87 -0.11 -0.62 1.09 -1.26 -2.26 121.20 118.51 2omj s ILE 12 Ca 0.36 -1.74 -0.04 0.00 -1.10 0.00 0.00 60.65 58.13 2omj s ILE 12 Cb -0.16 -2.21 -0.04 0.00 -1.06 0.00 0.00 42.46 38.99 2omj s ILE 12 CO 0.19 -0.33 0.04 0.27 -0.10 0.00 0.00 174.94 175.00 2omj s ILE 13 N 1.18 4.62 -0.26 2.92 -4.36 -0.65 -4.37 121.20 120.29 2omj s ILE 13 Ca 0.01 -0.12 -0.07 0.00 -0.26 0.00 0.00 60.65 60.21 2omj s ILE 13 Cb -0.19 -2.99 -0.02 0.00 1.25 0.00 0.00 42.46 40.51 2omj s ILE 13 CO -0.09 0.58 0.07 -1.58 0.24 0.00 0.00 174.94 174.16 2omj s GLN 14 N -0.64 3.56 0.46 0.37 0.74 -1.26 -2.28 119.66 120.61 2omj s GLN 14 Ca 0.11 -0.54 -0.23 0.00 0.05 0.00 0.00 55.36 54.74 2omj s GLN 14 Cb -0.12 -3.33 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 2omj s GLN 14 CO 0.02 -0.23 1.23 0.21 -0.55 0.00 0.00 175.29 175.97 2omj s LYS 15 N 1.60 3.70 0.00 1.67 2.20 0.18 -4.69 119.74 124.40 2omj s LYS 15 Ca 0.06 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 2omj s LYS 15 Cb -0.15 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.70 2omj s LYS 15 CO 0.03 -0.65 0.00 -0.25 -0.36 0.00 0.00 175.35 174.13 2omj n ASP 16 N -0.43 1.30 0.18 1.43 8.00 -1.24 -4.90 116.55 120.89 2omj n ASP 16 Ca 0.07 -0.93 0.07 0.00 0.71 0.00 0.00 54.79 54.70 2omj n ASP 16 Cb 0.46 0.00 0.56 0.00 -0.02 0.00 0.00 41.12 42.13 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 0.14 0.14 -2.24 3.32 -2.04 -2.80 116.42 112.93 2omj h ASP 17 Ca 0.00 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2omj h ASP 17 Cb 0.00 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2omj h ASP 17 CO 0.00 0.12 -1.78 0.78 -1.72 0.00 0.00 179.24 176.64 2omj h ASN 18 N 0.16 0.45 0.00 6.45 2.35 -2.02 -3.51 115.58 119.46 2omj h ASN 18 Ca 0.04 -0.91 0.00 0.00 -0.55 0.00 0.00 56.30 54.89 2omj h ASN 18 Cb 0.01 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.24 2omj h ASN 18 CO -0.01 1.78 0.00 0.61 -1.65 0.00 0.00 177.43 178.16 2omj n GLY 19 N 1.88 0.63 3.55 2.83 0.00 -1.06 -5.01 105.19 108.01 2omj n GLY 19 Ca -0.29 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.60 3.03 0.24 1.61 0.08 -1.26 -3.70 117.98 116.37 2omj s PHE 20 Ca 0.00 0.21 -0.05 0.00 0.12 0.00 0.00 56.93 57.21 2omj s PHE 20 Cb 0.00 -3.55 0.25 0.00 -0.57 0.00 0.00 43.02 39.15 2omj s PHE 20 CO 0.00 -0.91 1.78 0.78 -0.10 0.00 0.00 175.22 176.77 2omj h GLY 21 N 9.97 1.09 -4.48 4.36 0.00 -1.97 -3.44 103.07 108.60 2omj h GLY 21 Ca -0.25 -0.65 -0.58 0.00 0.00 0.00 0.00 47.33 45.85 2omj h GLY 21 CO 0.94 0.60 0.54 1.47 0.00 0.00 0.00 176.54 180.09 2omj n LEU 22 N -4.26 3.12 -4.72 3.11 -0.00 -1.26 -4.60 117.00 108.39 2omj n LEU 22 Ca 0.05 1.17 -0.35 0.00 -0.00 0.00 0.00 56.01 56.88 2omj n LEU 22 Cb 0.23 -1.43 -0.08 0.00 -0.00 0.00 0.00 43.42 42.14 2omj n LEU 22 CO 0.41 -0.57 -0.20 -0.89 -0.00 0.00 0.00 177.39 176.14 2omj s THR 23 N -0.47 5.22 -0.04 1.47 2.01 -0.76 -4.94 115.64 118.13 2omj s THR 23 Ca 0.63 0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.78 2omj s THR 23 Cb -0.63 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 68.53 2omj s THR 23 CO 0.54 0.48 -0.12 0.68 -0.69 0.00 0.00 174.62 175.51 2omj s VAL 24 N 0.14 1.05 -0.12 3.82 -7.23 -1.26 -0.62 120.40 116.18 2omj s VAL 24 Ca 0.08 -0.50 -0.07 0.00 -1.81 0.00 0.00 61.98 59.68 2omj s VAL 24 Cb -0.12 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 35.95 2omj s VAL 24 CO -0.00 0.32 0.28 -0.94 -0.31 0.00 0.00 175.10 174.44 2omj s SER 25 N 0.21 -0.31 -0.30 4.85 1.04 -1.16 -4.95 113.70 113.07 2omj s SER 25 Ca -0.05 0.60 -0.16 0.00 0.48 0.00 0.00 55.95 56.82 2omj s SER 25 Cb -0.11 0.51 0.17 0.00 0.10 0.00 0.00 66.02 66.69 2omj s SER 25 CO 0.01 -0.16 1.07 -0.83 0.98 0.00 0.00 173.24 174.31 2omj s GLY 26 N 1.05 -0.07 0.00 7.32 0.00 -1.26 -4.35 107.32 110.00 2omj s GLY 26 Ca -0.07 3.20 0.00 0.00 0.00 0.00 0.00 44.72 47.85 2omj s GLY 26 CO -0.07 3.28 0.63 1.22 0.00 0.00 0.00 173.10 178.16 2omj n ASP 27 N 4.88 0.00 -0.05 1.64 9.92 -1.26 -4.39 116.55 127.28 2omj n ASP 27 Ca -0.08 0.63 -0.18 0.00 -0.53 0.00 0.00 54.79 54.62 2omj n ASP 27 Cb 0.53 -0.13 -0.13 0.00 -0.64 0.00 0.00 41.12 40.75 2omj n ASP 27 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2omj h ASN 28 N 0.00 0.12 -2.23 -2.24 2.35 -1.96 -3.43 115.58 108.19 2omj h ASN 28 Ca 0.00 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 54.94 2omj h ASN 28 Cb 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2omj h ASN 28 CO 0.00 1.31 0.00 -0.81 -1.65 0.00 0.00 177.43 176.28 2omj n PRO 29 N -4.37 0.38 -3.37 0.81 -0.04 -1.26 -4.64 135.00 122.51 2omj n PRO 29 Ca -0.20 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.13 2omj n PRO 29 Cb 0.66 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.42 -0.51 0.09 0.52 1.01 -1.26 -4.37 120.40 115.46 2omj s VAL 30 Ca 0.00 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.70 2omj s VAL 30 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2omj s VAL 30 CO 0.00 -0.33 -0.11 0.72 0.00 0.00 0.00 175.10 175.38 2omj s PHE 31 N 2.45 1.11 -0.17 5.22 -0.12 -1.26 0.10 117.98 125.31 2omj s PHE 31 Ca 0.10 -0.57 -0.21 0.00 -0.05 0.00 0.00 56.93 56.19 2omj s PHE 31 Cb -0.14 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.61 2omj s PHE 31 CO -0.27 0.03 0.64 0.08 -0.05 0.00 0.00 175.22 175.64 2omj s VAL 32 N -1.98 5.03 -0.00 -2.49 1.01 0.19 -3.00 120.40 119.15 2omj s VAL 32 Ca 0.02 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.22 2omj s VAL 32 Cb -0.06 -3.96 -0.26 0.00 0.00 0.00 0.00 36.38 32.10 2omj s VAL 32 CO 0.01 0.14 0.83 -0.61 0.00 0.00 0.00 175.10 175.48 2omj h GLN 33 N 7.32 0.20 -3.77 2.72 4.15 -1.17 0.86 115.11 125.41 2omj h GLN 33 Ca -0.33 -0.34 -0.09 0.00 0.77 0.00 0.00 58.65 58.65 2omj h GLN 33 Cb 1.15 0.13 -0.15 0.00 0.21 0.00 0.00 27.48 28.82 2omj h GLN 33 CO 0.77 1.03 -0.39 0.45 -1.93 0.00 0.00 178.83 178.77 2omj s SER 34 N -6.85 0.12 -0.05 -0.69 0.15 -0.92 -3.79 113.70 101.67 2omj s SER 34 Ca -0.08 -0.60 -0.00 0.00 0.70 0.00 0.00 55.95 55.96 2omj s SER 34 Cb 0.07 0.32 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 2omj s SER 34 CO 0.84 -0.68 -0.01 0.68 1.20 0.00 0.00 173.24 175.27 2omj s VAL 35 N -3.57 0.34 -0.01 4.45 -7.23 -1.26 -1.83 120.40 111.29 2omj s VAL 35 Ca 0.03 0.05 -0.34 0.00 -1.81 0.00 0.00 61.98 59.91 2omj s VAL 35 Cb 0.04 -0.44 -0.12 0.00 0.56 0.00 0.00 36.38 36.42 2omj s VAL 35 CO -0.09 0.21 1.82 2.29 -0.31 0.00 0.00 175.10 179.02 2omj n LYS 36 N 4.50 2.28 -2.54 4.82 2.85 -1.26 -4.76 118.16 124.06 2omj n LYS 36 Ca -0.18 0.83 -0.33 0.00 -1.05 0.00 0.00 58.31 57.58 2omj n LYS 36 Cb 0.50 -2.68 -0.04 0.00 -0.65 0.00 0.00 35.03 32.17 2omj n LYS 36 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2omj s GLU 37 N 3.35 3.90 -1.38 -1.58 2.02 -1.26 -1.53 118.70 122.22 2omj s GLU 37 Ca 0.89 1.19 0.00 0.00 0.02 0.00 0.00 54.97 57.07 2omj s GLU 37 Cb -0.65 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.46 2omj s GLU 37 CO 0.47 -0.33 0.00 -3.47 0.02 0.00 0.00 175.26 171.95 2omj n ASP 38 N -1.12 -4.78 -0.67 -0.19 2.03 -1.26 -4.87 116.55 105.70 2omj n ASP 38 Ca 0.08 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2omj n ASP 38 Cb 0.53 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.91 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 -0.89 4.31 0.27 0.27 0.00 -1.23 -4.96 105.19 102.95 2omj n GLY 39 Ca -0.19 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.32 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 1.05 0.98 -0.25 4.61 0.00 -1.83 0.56 119.26 124.37 2omj h ALA 40 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2omj h ALA 40 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2omj h ALA 40 CO 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 179.25 179.22 2omj h ALA 41 N 1.50 0.31 0.06 0.00 0.00 -1.92 0.33 119.26 119.54 2omj h ALA 41 Ca 0.38 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2omj h ALA 41 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2omj h ALA 41 CO -0.37 -0.22 -0.03 1.98 0.00 0.00 0.00 179.25 180.61 2omj h MET 42 N 0.33 -0.08 -0.27 0.00 -1.53 -0.32 -2.54 114.93 110.52 2omj h MET 42 Ca 0.09 0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.38 2omj h MET 42 Cb -0.03 0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.02 2omj h MET 42 CO -0.02 0.27 0.18 0.00 0.14 0.00 0.00 176.91 177.48 2omj h ARG 43 N -0.45 0.25 0.00 0.39 3.08 0.16 0.35 114.38 118.16 2omj h ARG 43 Ca -0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2omj h ARG 43 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2omj h ARG 43 CO 0.01 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.08 2omj h ALA 44 N 1.85 1.00 -0.64 0.04 0.00 -0.21 -3.47 119.26 117.83 2omj h ALA 44 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2omj h ALA 44 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2omj h ALA 44 CO -0.02 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.62 2omj n GLY 45 N 0.14 0.67 3.79 0.00 0.00 0.11 -4.29 105.19 105.61 2omj n GLY 45 Ca 0.02 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.57 4.46 0.20 1.61 1.01 -0.97 -5.01 120.40 119.14 2omj s VAL 46 Ca 0.01 1.54 0.06 0.00 0.00 0.00 0.00 61.98 63.58 2omj s VAL 46 Cb -0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2omj s VAL 46 CO 0.01 0.44 0.16 0.00 0.00 0.00 0.00 175.10 175.71 2omj s GLN 47 N -1.37 2.91 -0.01 2.72 -2.07 -1.26 -4.84 119.66 115.74 2omj s GLN 47 Ca 0.37 -0.94 -0.30 0.00 -1.82 0.00 0.00 55.36 52.67 2omj s GLN 47 Cb -0.21 -2.61 -0.05 0.00 -1.09 0.00 0.00 33.01 29.05 2omj s GLN 47 CO 0.24 0.45 1.35 0.99 -1.32 0.00 0.00 175.29 177.00 2omj s THR 48 N -1.89 3.85 -0.07 3.63 2.01 -1.26 -2.92 115.64 118.98 2omj s THR 48 Ca 0.32 1.22 -0.00 0.00 0.31 0.00 0.00 61.69 63.53 2omj s THR 48 Cb -0.09 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2omj s THR 48 CO 0.24 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 2omj n GLY 49 N 3.58 0.37 3.79 4.40 0.00 0.29 -5.00 105.19 112.62 2omj n GLY 49 Ca 0.13 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.97 7.23 -0.09 1.61 -1.08 -0.81 -4.78 116.67 115.78 2omj s ASP 50 Ca 0.00 1.76 -0.15 0.00 -0.52 0.00 0.00 52.55 53.64 2omj s ASP 50 Cb -0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 2omj s ASP 50 CO 0.00 -0.11 0.38 -0.60 0.52 0.00 0.00 175.17 175.36 2omj s ARG 51 N -2.26 4.13 -0.16 4.34 3.52 -0.82 0.54 118.95 128.23 2omj s ARG 51 Ca 0.52 0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 56.34 2omj s ARG 51 Cb -0.17 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 2omj s ARG 51 CO 0.21 0.39 0.11 0.42 -0.81 0.00 0.00 175.30 175.63 2omj s ILE 52 N -0.08 5.23 -0.13 4.11 1.01 0.29 0.11 121.20 131.75 2omj s ILE 52 Ca 0.22 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 2omj s ILE 52 Cb -0.15 -3.34 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 2omj s ILE 52 CO 0.09 0.51 -0.15 -0.38 0.00 0.00 0.00 174.94 175.01 2omj n ILE 53 N 2.93 0.70 -4.40 2.92 5.41 0.12 -4.48 119.36 122.56 2omj n ILE 53 Ca -0.18 -0.20 -0.24 0.00 1.00 0.00 0.00 62.75 63.13 2omj n ILE 53 Cb 0.53 -1.49 -0.11 0.00 -0.71 0.00 0.00 39.64 37.86 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 -2.24 1.47 -0.26 0.38 1.02 -0.97 -3.97 119.74 115.18 2omj s LYS 54 Ca -0.18 -1.56 -0.02 0.00 0.02 0.00 0.00 55.97 54.23 2omj s LYS 54 Cb 0.06 -1.61 0.08 0.00 -0.52 0.00 0.00 37.83 35.84 2omj s LYS 54 CO 0.24 0.33 0.07 0.08 -0.92 0.00 0.00 175.35 175.15 2omj s VAL 55 N -2.11 0.65 -1.36 3.17 1.01 -1.19 -1.14 120.40 119.43 2omj s VAL 55 Ca 0.22 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2omj s VAL 55 Cb -0.06 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.99 2omj s VAL 55 CO 0.10 -0.48 1.13 -3.20 0.00 0.00 0.00 175.10 172.65 2omj n ASN 56 N 4.97 -5.56 -1.07 3.32 5.15 0.20 -1.68 115.26 120.58 2omj n ASN 56 Ca -0.06 -0.59 -0.10 0.00 -0.60 0.00 0.00 54.58 53.23 2omj n ASN 56 Cb 0.44 -4.88 -0.02 0.00 -0.53 0.00 0.00 39.78 34.79 2omj n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2omj n GLY 57 N -1.86 0.29 2.43 8.20 0.00 -1.25 -4.96 105.19 108.04 2omj n GLY 57 Ca -0.03 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.48 0.30 0.71 2.61 2.01 -0.68 -5.13 115.64 112.97 2omj s THR 58 Ca 0.00 -2.27 -0.16 0.00 0.31 0.00 0.00 61.69 59.56 2omj s THR 58 Cb 0.00 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.31 2omj s THR 58 CO 0.00 -1.13 1.25 0.00 -0.69 0.00 0.00 174.62 174.05 2omj n LEU 59 N 3.34 5.37 -4.21 4.42 -0.00 -1.26 -3.18 117.00 121.49 2omj n LEU 59 Ca 0.22 0.74 -0.14 0.00 -0.00 0.00 0.00 56.01 56.83 2omj n LEU 59 Cb 0.43 -1.53 -0.10 0.00 -0.00 0.00 0.00 43.42 42.21 2omj n LEU 59 CO 0.11 -1.29 -0.41 0.54 -0.00 0.00 0.00 177.39 176.35 2omj s VAL 60 N -1.65 1.00 -0.19 1.47 0.11 -1.26 -4.93 120.40 114.96 2omj s VAL 60 Ca 0.79 -1.89 -0.17 0.00 -2.93 0.00 0.00 61.98 57.79 2omj s VAL 60 Cb -0.35 -1.64 -0.06 0.00 -1.53 0.00 0.00 36.38 32.79 2omj s VAL 60 CO 0.44 -0.70 -0.33 0.35 -3.33 0.00 0.00 175.10 171.53 2omj n THR 61 N 0.10 1.50 -3.65 5.04 -2.24 -1.26 -5.01 114.28 108.77 2omj n THR 61 Ca -0.13 0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.72 2omj n THR 61 Cb 0.60 -2.31 -0.07 0.00 -2.10 0.00 0.00 70.33 66.45 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 -2.81 -0.12 0.00 4.78 -3.43 -1.26 -4.86 115.29 107.59 2omj s HIS 62 Ca -0.29 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 2omj s HIS 62 Cb 0.05 0.43 0.00 0.00 -1.43 0.00 0.00 32.58 31.63 2omj s HIS 62 CO 0.42 -0.06 0.00 0.43 -2.00 0.00 0.00 174.74 173.53 2omj n SER 63 N 1.83 0.00 -3.62 7.38 7.64 -1.26 -5.16 113.62 120.42 2omj n SER 63 Ca -0.11 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.76 2omj n SER 63 Cb 0.57 0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 2omj n SER 63 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2omj s ASN 64 N 1.50 -0.02 0.29 6.43 4.22 -1.26 -5.02 114.94 121.09 2omj s ASN 64 Ca 0.00 -0.01 -0.02 0.00 -2.14 0.00 0.00 52.86 50.70 2omj s ASN 64 Cb 0.00 0.02 0.44 0.00 1.28 0.00 0.00 41.25 42.99 2omj s ASN 64 CO 0.00 -0.04 1.95 -0.74 -2.04 0.00 0.00 177.10 176.23 2omj h HIS 65 N 2.00 1.08 -0.76 1.54 -0.00 -1.86 -2.17 115.15 114.97 2omj h HIS 65 Ca -0.10 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.38 2omj h HIS 65 Cb 1.14 -0.36 -0.07 0.00 -0.00 0.00 0.00 27.41 28.12 2omj h HIS 65 CO 0.30 0.65 0.41 -0.07 -0.00 0.00 0.00 177.93 179.22 2omj h LEU 66 N 1.14 0.58 -0.48 0.26 3.38 -1.98 0.35 115.31 118.55 2omj h LEU 66 Ca 0.34 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2omj h LEU 66 Cb -0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2omj h LEU 66 CO -0.09 0.34 0.21 -0.08 0.09 0.00 0.00 178.44 178.90 2omj h GLU 67 N 0.70 0.71 -0.29 1.13 4.57 -1.80 0.34 114.58 119.95 2omj h GLU 67 Ca 0.36 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2omj h GLU 67 Cb 0.33 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2omj h GLU 67 CO -0.24 0.63 0.13 0.28 -1.18 0.00 0.00 179.01 178.63 2omj h VAL 68 N 0.64 1.16 -0.49 0.32 2.07 -0.97 0.34 116.25 119.32 2omj h VAL 68 Ca 0.16 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2omj h VAL 68 Cb 0.17 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2omj h VAL 68 CO -0.02 0.17 0.24 0.58 0.02 0.00 0.00 177.57 178.56 2omj h VAL 69 N 0.33 1.19 -0.52 2.57 2.07 -0.10 0.33 116.25 122.12 2omj h VAL 69 Ca 0.10 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 2omj h VAL 69 Cb 0.14 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2omj h VAL 69 CO -0.01 0.21 -0.04 0.11 0.02 0.00 0.00 177.57 177.86 2omj h LYS 70 N 0.65 0.91 -0.28 1.57 1.57 -0.10 0.38 116.57 121.28 2omj h LYS 70 Ca 0.17 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 2omj h LYS 70 Cb 0.11 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2omj h LYS 70 CO -0.02 0.93 -0.53 1.25 -0.57 0.00 0.00 179.45 180.51 2omj h LEU 71 N 0.84 0.94 -0.28 2.94 6.46 0.02 -1.11 115.31 125.13 2omj h LEU 71 Ca 0.15 -0.54 -0.21 0.00 -0.12 0.00 0.00 57.88 57.17 2omj h LEU 71 Cb 0.55 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2omj h LEU 71 CO 0.03 1.30 -0.79 -0.29 -0.62 0.00 0.00 178.44 178.07 2omj h ILE 72 N 0.62 1.35 0.00 4.05 6.09 -0.21 -3.08 117.51 126.32 2omj h ILE 72 Ca 0.01 -2.14 -0.01 0.00 -1.37 0.00 0.00 64.86 61.36 2omj h ILE 72 Cb 1.14 2.13 -0.00 0.00 0.47 0.00 0.00 36.82 40.56 2omj h ILE 72 CO 0.12 0.65 -0.04 0.07 -3.07 0.00 0.00 178.15 175.88 2omj h LYS 73 N 0.36 0.00 -4.75 2.19 5.09 -0.25 -3.39 116.57 115.82 2omj h LYS 73 Ca -0.05 0.00 -0.57 0.00 0.09 0.00 0.00 60.65 60.12 2omj h LYS 73 Cb 1.40 0.00 0.05 0.00 0.10 0.00 0.00 32.23 33.77 2omj h LYS 73 CO 0.15 0.04 1.88 0.45 -2.09 0.00 0.00 179.45 179.88 2omj n SER 74 N -3.13 2.37 0.00 7.07 2.88 -0.42 -4.64 113.62 117.75 2omj n SER 74 Ca 0.02 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 2omj n SER 74 Cb 0.42 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 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 4.87 3.82 0.10 0.46 0.00 -1.26 -4.98 105.19 108.21 2omj n GLY 75 Ca 0.48 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 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 0.29 -3.63 1.61 0.02 -1.89 -3.43 113.55 106.52 2omj h SER 76 Ca 0.00 -0.89 -0.66 0.00 -0.84 0.00 0.00 61.79 59.40 2omj h SER 76 Cb 0.00 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 62.28 2omj h SER 76 CO 0.00 1.15 -0.18 -0.47 -1.14 0.00 0.00 176.83 176.19 2omj s TYR 77 N -2.69 3.19 0.03 3.45 5.04 -1.26 0.49 117.35 125.60 2omj s TYR 77 Ca -0.15 0.00 0.04 0.00 -2.44 0.00 0.00 57.07 54.52 2omj s TYR 77 Cb 0.00 -2.80 -0.02 0.00 0.35 0.00 0.00 41.96 39.49 2omj s TYR 77 CO 0.77 -0.51 -0.12 0.54 -1.34 0.00 0.00 175.55 174.89 2omj s VAL 78 N 2.18 0.94 -0.19 3.14 0.11 -0.97 -5.04 120.40 120.58 2omj s VAL 78 Ca 0.14 -0.83 -0.02 0.00 -2.93 0.00 0.00 61.98 58.35 2omj s VAL 78 Cb -0.16 -0.85 0.06 0.00 -1.53 0.00 0.00 36.38 33.89 2omj s VAL 78 CO 0.13 0.03 -0.00 0.00 -3.33 0.00 0.00 175.10 171.92 2omj s ALA 79 N -0.72 1.29 -0.10 1.54 0.00 -1.26 -1.63 121.76 120.87 2omj s ALA 79 Ca 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2omj s ALA 79 Cb -0.07 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2omj s ALA 79 CO 0.01 -1.08 -0.10 -0.51 0.00 0.00 0.00 175.76 174.08 2omj s LEU 80 N 1.72 2.94 -0.38 0.00 1.02 -0.96 0.60 118.68 123.62 2omj s LEU 80 Ca -0.02 -0.19 -0.27 0.00 0.02 0.00 0.00 54.13 53.68 2omj s LEU 80 Cb -0.17 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.41 2omj s LEU 80 CO -0.07 0.25 0.99 -0.89 0.02 0.00 0.00 176.35 176.65 2omj s THR 81 N -0.14 4.50 0.40 5.49 2.01 -0.29 -2.73 115.64 124.88 2omj s THR 81 Ca 0.00 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.36 2omj s THR 81 Cb -0.13 -4.40 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 2omj s THR 81 CO 0.03 -0.62 0.20 0.68 -0.69 0.00 0.00 174.62 174.22 2omj s VAL 82 N 3.69 2.45 -0.06 3.82 -7.23 -0.99 0.14 120.40 122.22 2omj s VAL 82 Ca 0.41 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2omj s VAL 82 Cb -0.11 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 33.88 2omj s VAL 82 CO 0.21 -0.03 0.13 -1.58 -0.31 0.00 0.00 175.10 173.52 2omj s GLN 83 N -3.93 0.05 0.50 4.82 0.74 0.31 -2.05 119.66 120.10 2omj s GLN 83 Ca 0.42 0.37 0.07 0.00 0.05 0.00 0.00 55.36 56.27 2omj s GLN 83 Cb 0.02 -0.22 0.02 0.00 1.10 0.00 0.00 33.01 33.93 2omj s GLN 83 CO 0.23 -0.20 0.48 0.20 -0.55 0.00 0.00 175.29 175.46 2omj s GLY 84 N 1.38 2.13 -0.42 2.59 0.00 -0.97 -1.94 107.32 110.09 2omj s GLY 84 Ca -0.07 -1.70 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 2omj s GLY 84 CO -0.05 -1.78 0.53 -2.13 0.00 0.00 0.00 173.10 169.67 2omj n ARG 85 N -1.79 -1.88 -2.42 2.90 0.63 -1.26 -3.73 116.66 109.11 2omj n ARG 85 Ca 0.04 1.80 -0.43 0.00 -0.92 0.00 0.00 57.85 58.35 2omj n ARG 85 Cb 0.63 -5.13 -0.02 0.00 0.45 0.00 0.00 32.46 28.38 2omj n ARG 85 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2omj s PRO 86 N -2.51 3.74 0.00 -0.14 0.04 -1.26 -4.55 135.00 130.32 2omj s PRO 86 Ca 0.17 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2omj s PRO 86 Cb -0.05 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2omj s PRO 86 CO 0.66 -1.35 0.00 -2.30 0.04 0.00 0.00 177.00 174.05 2omj n PRO 87 N 7.71 0.72 0.00 0.56 -0.02 -1.26 -5.03 135.00 137.69 2omj n PRO 87 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2omj n PRO 87 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 2omj n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2omj n GLY 88 N 0.35 -0.14 0.00 -1.23 0.00 -1.26 -5.22 105.19 97.69 2omj n GLY 88 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2omj n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18