#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 0.31 -4.94 1.61 7.64 -1.26 -5.11 113.62 111.87 2omj n SER 2 Ca 0.00 0.18 -0.24 0.00 1.01 0.00 0.00 58.87 59.82 2omj n SER 2 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 2omj n SER 2 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2omj s HIS 3 N -1.59 3.04 0.57 1.43 0.09 -1.26 -4.95 115.29 112.62 2omj s HIS 3 Ca 0.00 0.32 0.00 0.00 -0.00 0.00 0.00 55.06 55.38 2omj s HIS 3 Cb 0.00 -2.78 0.00 0.00 -0.00 0.00 0.00 32.58 29.80 2omj s HIS 3 CO 0.00 -0.91 0.00 -0.12 -0.00 0.00 0.00 174.74 173.71 2omj n MET 4 N -2.51 -3.69 0.00 1.40 0.00 -1.26 -5.04 117.12 106.03 2omj n MET 4 Ca 0.06 2.90 0.00 0.00 -0.00 0.00 0.00 57.70 60.66 2omj n MET 4 Cb 0.59 -3.76 0.00 0.00 0.00 0.00 0.00 33.22 30.05 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 -3.04 0.83 2.25 -5.12 0.00 -1.26 -5.07 105.19 93.78 2omj n GLY 5 Ca -0.03 -0.75 0.01 0.00 0.00 0.00 0.00 46.02 45.25 2omj n GLY 5 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2omj n LEU 6 N 0.00 1.05 -4.32 0.99 7.94 -1.26 -5.04 117.00 116.35 2omj n LEU 6 Ca 0.00 -2.61 -0.38 0.00 -1.11 0.00 0.00 56.01 51.91 2omj n LEU 6 Cb 0.00 0.25 -0.12 0.00 0.53 0.00 0.00 43.42 44.08 2omj n LEU 6 CO 0.00 0.90 -0.25 -0.69 -1.11 0.00 0.00 177.39 176.24 2omj s VAL 7 N -1.97 3.97 -0.09 1.96 1.01 -1.26 -5.09 120.40 118.94 2omj s VAL 7 Ca 0.27 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 2omj s VAL 7 Cb 0.34 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2omj s VAL 7 CO -0.09 -0.07 0.24 -1.58 0.00 0.00 0.00 175.10 173.60 2omj s GLN 8 N 1.47 3.72 -0.02 2.72 0.74 -1.26 -2.95 119.66 124.08 2omj s GLN 8 Ca 0.01 0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.45 2omj s GLN 8 Cb -0.18 -3.24 0.01 0.00 1.10 0.00 0.00 33.01 30.69 2omj s GLN 8 CO 0.03 0.66 0.05 0.50 -0.55 0.00 0.00 175.29 175.99 2omj s ARG 9 N -0.79 0.06 -0.04 1.67 3.52 -0.96 -5.02 118.95 117.39 2omj s ARG 9 Ca 0.17 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.85 2omj s ARG 9 Cb -0.13 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 2omj s ARG 9 CO 0.06 -0.02 0.02 0.00 -0.81 0.00 0.00 175.30 174.56 2omj s VAL 11 N -1.01 1.21 -0.41 0.00 -7.23 -1.19 -4.86 120.40 106.90 2omj s VAL 11 Ca 0.17 -0.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 2omj s VAL 11 Cb -0.12 -1.03 0.12 0.00 0.56 0.00 0.00 36.38 35.92 2omj s VAL 11 CO 0.07 0.35 0.19 -0.63 -0.31 0.00 0.00 175.10 174.77 2omj s ILE 12 N -0.07 1.52 0.18 -0.62 1.01 -1.26 -2.43 121.20 119.52 2omj s ILE 12 Ca -0.00 -2.38 -0.20 0.00 0.00 0.00 0.00 60.65 58.06 2omj s ILE 12 Cb -0.09 -2.08 -0.08 0.00 0.01 0.00 0.00 42.46 40.22 2omj s ILE 12 CO 0.01 -0.81 0.69 -0.63 0.00 0.00 0.00 174.94 174.20 2omj s ILE 13 N 0.60 4.58 -0.08 2.92 1.01 -0.58 -4.62 121.20 125.02 2omj s ILE 13 Ca 0.15 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.15 2omj s ILE 13 Cb -0.23 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 2omj s ILE 13 CO -0.06 0.34 -0.12 -1.10 0.00 0.00 0.00 174.94 174.01 2omj s GLN 14 N -1.64 2.80 0.19 2.79 -0.21 -1.26 -1.68 119.66 120.65 2omj s GLN 14 Ca 0.38 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.82 2omj s GLN 14 Cb -0.18 -2.51 -0.08 0.00 1.00 0.00 0.00 33.01 31.24 2omj s GLN 14 CO 0.22 0.53 1.19 0.21 -2.12 0.00 0.00 175.29 175.32 2omj s LYS 15 N -0.48 4.50 0.00 2.91 2.20 -0.30 -4.78 119.74 123.79 2omj s LYS 15 Ca 0.06 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 2omj s LYS 15 Cb -0.12 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2omj s LYS 15 CO 0.02 -0.06 0.00 -0.25 -0.36 0.00 0.00 175.35 174.69 2omj n ASP 16 N 2.40 0.37 -2.84 1.43 8.00 -1.25 -4.95 116.55 119.70 2omj n ASP 16 Ca 0.04 -0.31 -0.29 0.00 0.71 0.00 0.00 54.79 54.93 2omj n ASP 16 Cb 0.45 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.47 2omj n ASP 16 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2omj n ASP 17 N -0.83 7.41 0.00 -2.24 8.00 -1.26 -3.49 116.55 124.14 2omj n ASP 17 Ca 0.00 -2.62 0.00 0.00 0.71 0.00 0.00 54.79 52.88 2omj n ASP 17 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 39.62 2omj n ASP 17 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2omj n ASN 18 N 2.91 0.00 0.00 -2.24 2.85 -1.26 -5.16 115.26 112.35 2omj n ASN 18 Ca 0.64 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.11 2omj n ASN 18 Cb 0.48 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.50 2omj n ASN 18 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2omj n GLY 19 N 0.00 0.94 3.71 8.20 0.00 -1.23 -5.08 105.19 111.74 2omj n GLY 19 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.93 3.64 0.04 1.61 0.08 -1.26 -3.91 117.98 116.25 2omj s PHE 20 Ca 0.00 1.65 0.00 0.00 0.12 0.00 0.00 56.93 58.70 2omj s PHE 20 Cb 0.00 -3.16 -0.26 0.00 -0.57 0.00 0.00 43.02 39.03 2omj s PHE 20 CO 0.00 -0.19 1.00 0.78 -0.10 0.00 0.00 175.22 176.70 2omj h GLY 21 N 6.66 0.20 -2.49 4.36 0.00 -1.98 -3.46 103.07 106.37 2omj h GLY 21 Ca -0.41 -0.52 -0.56 0.00 0.00 0.00 0.00 47.33 45.84 2omj h GLY 21 CO 0.76 0.45 0.44 1.47 0.00 0.00 0.00 176.54 179.66 2omj n LEU 22 N -3.41 5.28 -4.34 3.11 -0.00 -1.26 -4.68 117.00 111.70 2omj n LEU 22 Ca -0.11 0.87 -0.34 0.00 -0.00 0.00 0.00 56.01 56.43 2omj n LEU 22 Cb 1.02 -1.52 -0.14 0.00 -0.00 0.00 0.00 43.42 42.78 2omj n LEU 22 CO 0.50 -1.08 -0.40 -0.89 -0.00 0.00 0.00 177.39 175.53 2omj s THR 23 N -1.38 3.34 -0.08 1.47 2.01 -0.55 -4.97 115.64 115.47 2omj s THR 23 Ca 0.77 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 62.30 2omj s THR 23 Cb -0.40 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 2omj s THR 23 CO 0.45 0.45 -0.22 0.54 -0.69 0.00 0.00 174.62 175.15 2omj s VAL 24 N 1.14 2.30 -0.14 3.82 0.11 -1.26 0.74 120.40 127.10 2omj s VAL 24 Ca 0.02 -0.97 -0.09 0.00 -2.93 0.00 0.00 61.98 58.01 2omj s VAL 24 Cb -0.14 -1.87 0.05 0.00 -1.53 0.00 0.00 36.38 32.89 2omj s VAL 24 CO -0.01 0.56 0.35 -0.55 -3.33 0.00 0.00 175.10 172.12 2omj s SER 25 N -0.03 -0.41 -0.30 3.54 0.15 -0.99 -4.88 113.70 110.78 2omj s SER 25 Ca -0.07 0.75 -0.02 0.00 0.70 0.00 0.00 55.95 57.31 2omj s SER 25 Cb -0.15 0.65 0.19 0.00 -1.71 0.00 0.00 66.02 65.01 2omj s SER 25 CO 0.05 -0.17 0.79 -0.83 1.20 0.00 0.00 173.24 174.28 2omj s GLY 26 N 1.11 -1.13 0.00 9.45 0.00 -1.26 -4.07 107.32 111.42 2omj s GLY 26 Ca -0.07 1.50 -0.01 0.00 0.00 0.00 0.00 44.72 46.14 2omj s GLY 26 CO -0.09 3.88 1.01 -0.55 0.00 0.00 0.00 173.10 177.35 2omj h ASP 27 N 7.62 -0.02 0.00 1.64 5.19 -2.00 -3.37 116.42 125.48 2omj h ASP 27 Ca -0.04 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 2omj h ASP 27 Cb 1.18 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 2omj h ASP 27 CO 0.04 -0.01 -0.24 -1.13 -3.12 0.00 0.00 179.24 174.78 2omj h ASN 28 N -0.02 0.00 -1.62 6.45 -0.73 -1.97 -3.44 115.58 114.25 2omj h ASN 28 Ca -0.00 -0.42 0.00 0.00 1.87 0.00 0.00 56.30 57.75 2omj h ASN 28 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.61 2omj h ASN 28 CO -0.00 0.84 0.00 -0.81 -0.37 0.00 0.00 177.43 177.09 2omj n PRO 29 N -4.65 1.06 -3.38 6.67 -0.04 -1.26 -5.02 135.00 128.38 2omj n PRO 29 Ca -0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.21 2omj n PRO 29 Cb 0.30 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.67 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 0.22 -0.41 0.05 0.52 0.11 -1.26 -4.29 120.40 115.34 2omj s VAL 30 Ca 0.00 -0.57 0.03 0.00 -2.93 0.00 0.00 61.98 58.51 2omj s VAL 30 Cb 0.00 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2omj s VAL 30 CO 0.00 -0.47 -0.10 0.72 -3.33 0.00 0.00 175.10 171.91 2omj s PHE 31 N 2.19 0.89 -0.24 1.54 -0.12 -1.26 0.44 117.98 121.42 2omj s PHE 31 Ca 0.11 -0.46 -0.23 0.00 -0.05 0.00 0.00 56.93 56.30 2omj s PHE 31 Cb -0.14 -0.52 -0.01 0.00 -0.63 0.00 0.00 43.02 41.72 2omj s PHE 31 CO -0.27 -0.02 0.75 0.08 -0.05 0.00 0.00 175.22 175.71 2omj s VAL 32 N -1.25 4.90 0.02 -2.49 1.01 -0.01 -2.35 120.40 120.23 2omj s VAL 32 Ca -0.06 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.20 2omj s VAL 32 Cb -0.09 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2omj s VAL 32 CO 0.01 -0.03 1.14 -0.61 0.00 0.00 0.00 175.10 175.62 2omj h GLN 33 N 7.75 -0.37 -4.89 2.72 4.15 0.01 0.42 115.11 124.89 2omj h GLN 33 Ca -0.25 0.03 -0.37 0.00 0.77 0.00 0.00 58.65 58.83 2omj h GLN 33 Cb 1.11 0.09 -0.14 0.00 0.21 0.00 0.00 27.48 28.74 2omj h GLN 33 CO 0.83 -0.25 -0.60 -1.12 -1.93 0.00 0.00 178.83 175.76 2omj s SER 34 N -2.60 1.32 0.06 -0.69 0.01 -0.97 -0.38 113.70 110.46 2omj s SER 34 Ca -0.06 -1.44 0.02 0.00 1.31 0.00 0.00 55.95 55.79 2omj s SER 34 Cb 0.01 0.23 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 2omj s SER 34 CO 0.17 -0.78 -0.07 0.68 0.41 0.00 0.00 173.24 173.65 2omj s VAL 35 N -3.70 0.60 -0.06 3.43 -7.23 -1.26 -1.49 120.40 110.68 2omj s VAL 35 Ca 0.37 -1.38 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 2omj s VAL 35 Cb 0.07 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2omj s VAL 35 CO 0.15 -0.55 1.36 -1.59 -0.31 0.00 0.00 175.10 174.15 2omj s LYS 36 N -2.36 4.27 0.41 4.82 -2.85 -1.26 -4.87 119.74 117.90 2omj s LYS 36 Ca -0.02 1.86 -0.23 0.00 -1.00 0.00 0.00 55.97 56.57 2omj s LYS 36 Cb -0.05 -3.67 -0.09 0.00 -2.06 0.00 0.00 37.83 31.96 2omj s LYS 36 CO -0.01 -0.62 1.05 -1.83 0.10 0.00 0.00 175.35 174.04 2omj s GLU 37 N 2.84 4.12 -1.55 1.78 1.03 -1.26 -1.80 118.70 123.86 2omj s GLU 37 Ca 0.61 1.48 0.00 0.00 0.03 0.00 0.00 54.97 57.09 2omj s GLU 37 Cb -0.28 -2.47 0.00 0.00 -0.80 0.00 0.00 34.13 30.58 2omj s GLU 37 CO 0.23 -0.18 0.00 -3.47 -1.33 0.00 0.00 175.26 170.51 2omj n ASP 38 N -0.20 -4.40 -0.21 0.83 2.03 -1.26 -4.89 116.55 108.44 2omj n ASP 38 Ca 0.06 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2omj n ASP 38 Cb 0.50 -3.88 0.00 0.00 -0.72 0.00 0.00 41.12 37.02 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 -0.54 6.99 0.36 0.27 0.00 -1.19 -4.94 105.19 106.14 2omj n GLY 39 Ca -0.17 -1.94 -0.03 0.00 0.00 0.00 0.00 46.02 43.88 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 1.18 -0.12 4.61 0.00 -1.86 0.90 119.26 124.97 2omj h ALA 40 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2omj h ALA 40 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2omj h ALA 40 CO 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 2omj h ALA 41 N 1.30 0.16 -0.74 0.00 0.00 -1.90 -0.41 119.26 117.67 2omj h ALA 41 Ca 0.33 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2omj h ALA 41 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2omj h ALA 41 CO -0.06 -0.08 0.27 1.98 0.00 0.00 0.00 179.25 181.36 2omj h MET 42 N -0.11 1.11 -0.07 0.00 -1.53 -1.18 -2.37 114.93 110.79 2omj h MET 42 Ca 0.03 -0.21 -0.11 0.00 -3.44 0.00 0.00 59.70 55.96 2omj h MET 42 Cb 0.49 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.35 2omj h MET 42 CO 0.01 0.92 -0.48 0.00 0.14 0.00 0.00 176.91 177.51 2omj h ARG 43 N 1.08 0.18 0.00 0.39 3.08 -0.78 -2.63 114.38 115.70 2omj h ARG 43 Ca 0.24 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2omj h ARG 43 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2omj h ARG 43 CO -0.02 0.62 0.00 0.00 -1.07 0.00 0.00 179.97 179.50 2omj h ALA 44 N 1.37 1.00 0.00 0.04 0.00 -0.57 -3.46 119.26 117.63 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 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2omj h ALA 44 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2omj n GLY 45 N 0.13 0.84 3.81 0.00 0.00 -0.99 -4.39 105.19 104.60 2omj n GLY 45 Ca 0.02 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 4.15 0.31 1.61 1.01 -0.97 -4.93 120.40 119.57 2omj s VAL 46 Ca 0.00 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.41 2omj s VAL 46 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2omj s VAL 46 CO 0.00 -0.28 0.14 -1.10 0.00 0.00 0.00 175.10 173.86 2omj s GLN 47 N -3.18 2.51 -0.16 2.72 -0.21 -1.26 -4.83 119.66 115.25 2omj s GLN 47 Ca 0.64 -1.39 -0.27 0.00 0.02 0.00 0.00 55.36 54.36 2omj s GLN 47 Cb -0.12 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.59 2omj s GLN 47 CO 0.16 0.22 0.90 0.99 -2.12 0.00 0.00 175.29 175.43 2omj s THR 48 N -2.33 4.84 -0.69 -0.19 2.01 -1.26 -3.84 115.64 114.17 2omj s THR 48 Ca 0.36 1.78 -0.03 0.00 0.31 0.00 0.00 61.69 64.11 2omj s THR 48 Cb -0.05 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.26 2omj s THR 48 CO 0.23 0.00 0.59 0.61 -0.69 0.00 0.00 174.62 175.36 2omj n GLY 49 N 3.35 0.08 3.87 4.40 0.00 0.14 -4.99 105.19 112.05 2omj n GLY 49 Ca 0.06 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.43 6.63 0.13 1.61 -4.77 -0.98 -4.84 116.67 111.01 2omj s ASP 50 Ca 0.17 0.79 -0.25 0.00 -3.30 0.00 0.00 52.55 49.96 2omj s ASP 50 Cb -0.08 -2.18 -0.07 0.00 -1.09 0.00 0.00 42.92 39.51 2omj s ASP 50 CO 0.39 0.12 0.77 -0.13 0.70 0.00 0.00 175.17 177.02 2omj s ARG 51 N -2.15 4.53 -0.35 2.11 0.52 -0.96 -0.83 118.95 121.83 2omj s ARG 51 Ca 0.36 1.12 -0.13 0.00 -0.52 0.00 0.00 55.73 56.56 2omj s ARG 51 Cb -0.13 -3.29 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 2omj s ARG 51 CO 0.20 0.49 0.23 0.42 0.02 0.00 0.00 175.30 176.66 2omj s ILE 52 N -0.83 5.14 0.01 1.52 1.01 0.17 0.10 121.20 128.32 2omj s ILE 52 Ca 0.36 -0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 2omj s ILE 52 Cb -0.22 -3.68 -0.31 0.00 0.01 0.00 0.00 42.46 38.27 2omj s ILE 52 CO 0.25 -0.05 1.01 0.40 0.00 0.00 0.00 174.94 176.56 2omj h ILE 53 N 5.56 1.37 -2.33 2.92 2.04 0.05 -3.43 117.51 123.68 2omj h ILE 53 Ca -0.31 -2.48 -0.08 0.00 1.00 0.00 0.00 64.86 62.99 2omj h ILE 53 Cb 1.15 2.92 -0.22 0.00 -0.74 0.00 0.00 36.82 39.93 2omj h ILE 53 CO 0.65 0.73 -0.02 -1.59 0.00 0.00 0.00 178.15 177.92 2omj s LYS 54 N -2.76 0.73 -0.19 2.37 -2.85 -0.97 -4.81 119.74 111.27 2omj s LYS 54 Ca -0.11 0.67 -0.05 0.00 -1.00 0.00 0.00 55.97 55.48 2omj s LYS 54 Cb 0.03 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2omj s LYS 54 CO 0.89 -0.12 -0.00 0.08 0.10 0.00 0.00 175.35 176.30 2omj s VAL 55 N -0.01 3.97 -1.49 1.79 1.01 -1.23 0.10 120.40 124.54 2omj s VAL 55 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2omj s VAL 55 Cb -0.04 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2omj s VAL 55 CO 0.02 0.44 0.83 0.59 0.00 0.00 0.00 175.10 176.98 2omj n ASN 56 N 4.12 -6.23 -2.23 3.32 3.02 0.28 -1.56 115.26 115.97 2omj n ASN 56 Ca -0.17 -0.39 -0.20 0.00 -0.03 0.00 0.00 54.58 53.79 2omj n ASN 56 Cb 0.52 -4.98 -0.03 0.00 -0.61 0.00 0.00 39.78 34.68 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 -1.71 0.00 2.72 7.41 0.00 -1.25 -4.95 105.19 107.41 2omj n GLY 57 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2omj n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2omj s THR 58 N -2.95 -0.32 0.97 2.61 -1.32 -0.60 -5.14 115.64 108.89 2omj s THR 58 Ca 0.00 -0.40 -0.11 0.00 -1.21 0.00 0.00 61.69 59.96 2omj s THR 58 Cb 0.00 -0.88 0.17 0.00 -1.51 0.00 0.00 72.50 70.28 2omj s THR 58 CO 0.00 -0.42 1.09 -0.76 -2.21 0.00 0.00 174.62 172.32 2omj s LEU 59 N 2.31 2.16 -0.20 9.08 1.02 -1.26 -3.56 118.68 128.23 2omj s LEU 59 Ca 0.09 1.80 -0.03 0.00 0.02 0.00 0.00 54.13 56.00 2omj s LEU 59 Cb -0.15 -4.09 0.06 0.00 0.02 0.00 0.00 46.19 42.04 2omj s LEU 59 CO -0.27 -3.20 0.06 0.68 0.02 0.00 0.00 176.35 173.64 2omj s VAL 60 N -2.69 0.34 -0.11 -1.59 -7.23 -1.26 -4.95 120.40 102.91 2omj s VAL 60 Ca 0.66 -0.50 -0.09 0.00 -1.81 0.00 0.00 61.98 60.24 2omj s VAL 60 Cb -0.22 -0.93 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 2omj s VAL 60 CO 0.59 -0.28 0.20 0.28 -0.31 0.00 0.00 175.10 175.59 2omj s THR 61 N 1.94 5.39 -1.37 5.32 -1.32 -1.26 -4.32 115.64 120.02 2omj s THR 61 Ca 0.01 0.36 -0.08 0.00 -1.21 0.00 0.00 61.69 60.76 2omj s THR 61 Cb -0.17 -3.48 0.01 0.00 -1.51 0.00 0.00 72.50 67.35 2omj s THR 61 CO -0.10 0.58 1.12 1.57 -2.21 0.00 0.00 174.62 175.58 2omj n HIS 62 N 2.18 -2.78 -4.01 9.09 -0.00 -1.26 -5.00 115.22 113.44 2omj n HIS 62 Ca -0.18 0.96 -0.26 0.00 0.46 0.00 0.00 57.72 58.70 2omj n HIS 62 Cb 0.54 -4.97 -0.04 0.00 -0.12 0.00 0.00 29.99 25.41 2omj n HIS 62 CO 0.00 0.00 0.00 -1.12 0.46 0.00 0.00 176.34 175.68 2omj s SER 63 N -3.25 4.57 0.47 0.26 0.01 -1.26 -5.16 113.70 109.34 2omj s SER 63 Ca 0.56 -1.17 0.02 0.00 1.31 0.00 0.00 55.95 56.67 2omj s SER 63 Cb -0.24 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 2omj s SER 63 CO 0.69 -0.84 0.07 0.59 0.41 0.00 0.00 173.24 174.16 2omj n ASN 64 N -1.52 2.35 -0.19 2.44 3.02 -1.26 -5.01 115.26 115.09 2omj n ASN 64 Ca -0.03 -3.26 -0.01 0.00 -0.03 0.00 0.00 54.58 51.25 2omj n ASN 64 Cb 0.64 0.71 0.22 0.00 -0.61 0.00 0.00 39.78 40.74 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 1.48 0.92 -0.76 3.10 2.76 -1.84 -2.40 115.15 118.40 2omj h HIS 65 Ca -0.38 -0.02 0.09 0.00 -2.20 0.00 0.00 60.37 57.85 2omj h HIS 65 Cb 1.28 -0.30 -0.07 0.00 1.55 0.00 0.00 27.41 29.88 2omj h HIS 65 CO 0.00 0.66 0.42 -0.07 -1.30 0.00 0.00 177.93 177.64 2omj h LEU 66 N 0.94 0.59 -0.49 0.26 3.38 -1.97 0.34 115.31 118.36 2omj h LEU 66 Ca 0.24 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 2omj h LEU 66 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2omj h LEU 66 CO -0.04 0.35 0.20 -0.33 0.09 0.00 0.00 178.44 178.72 2omj h GLU 67 N 0.72 0.73 -0.29 1.13 5.08 -1.84 0.33 114.58 120.44 2omj h GLU 67 Ca 0.37 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2omj h GLU 67 Cb 0.33 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2omj h GLU 67 CO -0.24 0.65 0.14 0.28 -1.00 0.00 0.00 179.01 178.84 2omj h VAL 68 N 0.65 1.14 -0.33 3.13 2.07 -0.98 0.37 116.25 122.31 2omj h VAL 68 Ca 0.16 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2omj h VAL 68 Cb 0.18 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 2omj h VAL 68 CO -0.01 0.15 0.17 0.58 0.02 0.00 0.00 177.57 178.47 2omj h VAL 69 N 0.34 1.15 -0.70 2.57 2.07 -0.14 0.29 116.25 121.84 2omj h VAL 69 Ca 0.10 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2omj h VAL 69 Cb 0.10 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2omj h VAL 69 CO -0.01 0.16 0.28 0.50 0.02 0.00 0.00 177.57 178.51 2omj h LYS 70 N 0.40 1.03 -0.30 1.57 3.64 -0.11 0.36 116.57 123.16 2omj h LYS 70 Ca 0.11 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 2omj h LYS 70 Cb 0.10 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2omj h LYS 70 CO -0.02 0.84 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.74 2omj h LEU 71 N 1.01 0.68 -0.61 5.20 3.38 0.17 0.76 115.31 125.89 2omj h LEU 71 Ca 0.23 -0.43 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2omj h LEU 71 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2omj h LEU 71 CO -0.02 0.96 -0.42 0.40 0.09 0.00 0.00 178.44 179.45 2omj h ILE 72 N 0.40 1.30 -0.02 1.22 2.04 -0.12 -3.03 117.51 119.30 2omj h ILE 72 Ca 0.06 -1.59 -0.16 0.00 1.00 0.00 0.00 64.86 64.17 2omj h ILE 72 Cb 0.72 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 2omj h ILE 72 CO 0.05 0.51 -0.71 0.11 0.00 0.00 0.00 178.15 178.11 2omj h LYS 73 N 0.51 0.12 -5.41 2.37 6.56 -0.22 -3.40 116.57 117.11 2omj h LYS 73 Ca 0.04 -0.10 -0.27 0.00 -1.06 0.00 0.00 60.65 59.26 2omj h LYS 73 Cb 0.94 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.59 2omj h LYS 73 CO 0.08 0.78 0.85 0.45 -2.06 0.00 0.00 179.45 179.55 2omj s SER 74 N -6.87 4.71 0.00 0.86 0.15 0.25 -4.69 113.70 108.11 2omj s SER 74 Ca -0.02 -1.48 0.00 0.00 0.70 0.00 0.00 55.95 55.15 2omj s SER 74 Cb 0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2omj s SER 74 CO 0.79 -3.41 0.00 0.61 1.20 0.00 0.00 173.24 172.43 2omj n GLY 75 N 5.92 2.20 0.13 9.45 0.00 -1.26 -4.96 105.19 116.68 2omj n GLY 75 Ca 0.44 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 2omj n GLY 75 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2omj n SER 76 N 0.00 1.99 -4.60 1.61 7.64 -1.26 -4.90 113.62 114.10 2omj n SER 76 Ca 0.00 0.03 -0.38 0.00 1.01 0.00 0.00 58.87 59.53 2omj n SER 76 Cb 0.00 -0.58 -0.11 0.00 -1.01 0.00 0.00 64.21 62.51 2omj n SER 76 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2omj s TYR 77 N -2.52 3.23 -0.19 1.43 1.51 -1.26 -1.15 117.35 118.40 2omj s TYR 77 Ca -0.34 0.14 -0.01 0.00 -1.01 0.00 0.00 57.07 55.85 2omj s TYR 77 Cb 0.10 -2.37 0.01 0.00 -0.11 0.00 0.00 41.96 39.58 2omj s TYR 77 CO 0.59 -0.14 -0.13 0.54 -1.11 0.00 0.00 175.55 175.30 2omj s VAL 78 N 1.69 2.65 -0.30 0.71 0.11 -0.68 -5.02 120.40 119.57 2omj s VAL 78 Ca 0.07 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.41 2omj s VAL 78 Cb -0.16 -2.16 0.08 0.00 -1.53 0.00 0.00 36.38 32.61 2omj s VAL 78 CO 0.10 0.49 -0.02 0.00 -3.33 0.00 0.00 175.10 172.34 2omj s ALA 79 N 1.33 2.63 -0.08 1.54 0.00 -1.26 -1.53 121.76 124.40 2omj s ALA 79 Ca 0.04 -2.09 0.05 0.00 0.00 0.00 0.00 51.96 49.96 2omj s ALA 79 Cb -0.14 -1.76 -0.00 0.00 0.00 0.00 0.00 23.12 21.22 2omj s ALA 79 CO -0.08 -1.45 -0.24 -0.48 0.00 0.00 0.00 175.76 173.52 2omj s LEU 80 N 1.05 2.05 -0.16 0.00 0.05 -1.02 0.10 118.68 120.75 2omj s LEU 80 Ca 0.01 -0.52 -0.29 0.00 0.05 0.00 0.00 54.13 53.39 2omj s LEU 80 Cb -0.19 -1.35 -0.00 0.00 -2.05 0.00 0.00 46.19 42.60 2omj s LEU 80 CO -0.07 0.20 1.02 -0.89 -0.55 0.00 0.00 176.35 176.06 2omj s THR 81 N 0.09 4.73 0.40 5.48 2.01 0.29 -3.15 115.64 125.49 2omj s THR 81 Ca -0.11 2.04 0.08 0.00 0.31 0.00 0.00 61.69 64.00 2omj s THR 81 Cb -0.15 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 67.98 2omj s THR 81 CO 0.06 -0.08 0.10 0.68 -0.69 0.00 0.00 174.62 174.69 2omj s VAL 82 N 2.58 2.27 0.01 3.82 -7.23 -0.60 0.75 120.40 121.99 2omj s VAL 82 Ca 0.46 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2omj s VAL 82 Cb -0.17 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.80 2omj s VAL 82 CO 0.12 -0.04 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.22 2omj s GLN 83 N -3.81 0.56 0.07 4.82 0.74 0.29 -2.26 119.66 120.07 2omj s GLN 83 Ca 0.38 -0.40 -0.06 0.00 0.05 0.00 0.00 55.36 55.33 2omj s GLN 83 Cb 0.05 -0.49 -0.01 0.00 1.10 0.00 0.00 33.01 33.65 2omj s GLN 83 CO 0.21 0.13 0.12 0.20 -0.55 0.00 0.00 175.29 175.39 2omj s GLY 84 N -0.56 0.21 -0.05 2.59 0.00 -1.15 -2.26 107.32 106.09 2omj s GLY 84 Ca -0.00 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.64 2omj s GLY 84 CO 0.00 -0.95 0.63 1.09 0.00 0.00 0.00 173.10 173.87 2omj s ARG 85 N -3.81 1.01 1.11 2.90 1.70 -1.26 -4.03 118.95 116.57 2omj s ARG 85 Ca 0.05 0.20 -0.17 0.00 -0.47 0.00 0.00 55.73 55.35 2omj s ARG 85 Cb 0.05 0.47 0.25 0.00 -0.57 0.00 0.00 34.95 35.15 2omj s ARG 85 CO -0.10 -0.31 1.12 -1.25 -1.08 0.00 0.00 175.30 173.68 2omj s PRO 86 N -1.20 -0.50 0.11 3.89 0.04 -1.26 -5.04 135.00 131.03 2omj s PRO 86 Ca -0.11 0.08 -0.02 0.00 0.04 0.00 0.00 61.00 60.99 2omj s PRO 86 Cb -0.01 -1.67 0.02 0.00 0.04 0.00 0.00 34.50 32.89 2omj s PRO 86 CO 0.09 -3.26 0.05 -2.30 0.04 0.00 0.00 177.00 171.62 2omj n PRO 87 N -4.47 -1.02 0.00 0.56 -0.02 -1.26 -4.96 135.00 123.83 2omj n PRO 87 Ca 0.11 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2omj n PRO 87 Cb 0.59 -0.14 0.00 0.00 -0.02 0.00 0.00 33.50 33.92 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 -0.29 0.12 0.00 -1.23 0.00 -1.26 -5.05 105.19 97.48 2omj n GLY 88 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2omj n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06