#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukr n ILE 4 N 0.00 0.06 -1.03 -0.61 2.08 -1.26 -4.90 119.36 113.70 1ukr n ILE 4 Ca 0.00 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1ukr n ILE 4 Cb 0.00 -1.65 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 1ukr n ILE 4 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1ukr n ASN 5 N 3.84 0.19 -3.82 4.38 6.94 -0.49 -4.92 115.26 121.39 1ukr n ASN 5 Ca 0.17 -1.22 -0.13 0.00 -0.02 0.00 0.00 54.58 53.38 1ukr n ASN 5 Cb 0.30 -0.03 -0.14 0.00 -2.36 0.00 0.00 39.78 37.55 1ukr n ASN 5 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1ukr s TYR 6 N -0.12 -0.07 -0.18 -2.53 5.04 -0.83 -4.68 117.35 113.98 1ukr s TYR 6 Ca 0.00 0.23 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1ukr s TYR 6 Cb 0.00 -0.04 -0.00 0.00 0.35 0.00 0.00 41.96 42.27 1ukr s TYR 6 CO 0.00 -0.07 -0.12 0.08 -1.34 0.00 0.00 175.55 174.10 1ukr s VAL 7 N 0.43 2.84 -0.23 3.14 1.01 -1.26 -1.39 120.40 124.94 1ukr s VAL 7 Ca -0.03 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 1ukr s VAL 7 Cb -0.05 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ukr s VAL 7 CO -0.02 0.49 0.43 -1.58 0.00 0.00 0.00 175.10 174.43 1ukr s GLN 8 N 1.08 4.12 -0.33 2.72 2.00 0.12 -4.99 119.66 124.38 1ukr s GLN 8 Ca -0.00 0.22 -0.01 0.00 -2.00 0.00 0.00 55.36 53.57 1ukr s GLN 8 Cb -0.15 -3.59 0.13 0.00 0.80 0.00 0.00 33.01 30.20 1ukr s GLN 8 CO -0.03 -0.18 0.22 1.21 -0.50 0.00 0.00 175.29 176.02 1ukr s ASN 9 N 1.30 2.70 -0.32 6.67 3.84 -1.26 -1.70 114.94 126.16 1ukr s ASN 9 Ca 0.19 -1.70 -0.01 0.00 0.21 0.00 0.00 52.86 51.55 1ukr s ASN 9 Cb -0.15 -0.13 0.07 0.00 -0.55 0.00 0.00 41.25 40.48 1ukr s ASN 9 CO 0.09 -0.34 0.04 -0.47 -2.79 0.00 0.00 177.10 173.63 1ukr s TYR 10 N 1.54 3.38 -1.46 0.43 5.04 -0.31 -4.68 117.35 121.29 1ukr s TYR 10 Ca 0.15 -2.12 -0.10 0.00 -2.44 0.00 0.00 57.07 52.56 1ukr s TYR 10 Cb -0.19 -2.41 0.04 0.00 0.35 0.00 0.00 41.96 39.75 1ukr s TYR 10 CO -0.13 -0.86 0.91 0.09 -1.34 0.00 0.00 175.55 174.22 1ukr n ASN 11 N 4.57 -5.55 0.33 4.32 3.02 -1.26 -1.00 115.26 119.69 1ukr n ASN 11 Ca -0.09 -0.54 0.18 0.00 -0.03 0.00 0.00 54.58 54.10 1ukr n ASN 11 Cb 0.43 -4.43 0.98 0.00 -0.61 0.00 0.00 39.78 36.15 1ukr n ASN 11 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ukr h GLY 12 N -2.01 0.00 2.00 7.41 0.00 -1.87 -1.03 103.07 107.57 1ukr h GLY 12 Ca -0.55 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1ukr h GLY 12 CO 0.60 0.00 -0.01 3.45 0.00 0.00 0.00 176.54 180.58 1ukr h ASN 13 N 0.00 0.00 0.99 0.19 -1.07 -1.98 -2.59 115.58 111.12 1ukr h ASN 13 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1ukr h ASN 13 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1ukr h ASN 13 CO -0.00 0.01 0.00 0.18 0.07 0.00 0.00 177.43 177.69 1ukr n LEU 14 N -3.32 0.37 0.00 6.14 4.77 -0.39 -4.88 117.00 119.68 1ukr n LEU 14 Ca -0.03 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1ukr n LEU 14 Cb 0.09 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1ukr n LEU 14 CO 0.23 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1ukr n GLY 15 N 0.86 4.67 3.08 -0.72 0.00 -0.98 -4.88 105.19 107.22 1ukr n GLY 15 Ca 0.05 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 1ukr n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ukr s ASP 16 N 1.26 4.99 -0.28 1.61 2.15 -0.00 -4.94 116.67 121.45 1ukr s ASP 16 Ca 0.00 -2.03 -0.12 0.00 0.43 0.00 0.00 52.55 50.83 1ukr s ASP 16 Cb 0.00 -1.72 -0.05 0.00 -0.30 0.00 0.00 42.92 40.85 1ukr s ASP 16 CO 0.00 -0.44 0.22 0.12 -0.17 0.00 0.00 175.17 174.90 1ukr s PHE 17 N 1.03 3.22 0.05 -5.34 5.36 -1.26 -2.00 117.98 119.05 1ukr s PHE 17 Ca 0.08 0.15 0.08 0.00 -0.96 0.00 0.00 56.93 56.28 1ukr s PHE 17 Cb -0.21 -2.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.03 1ukr s PHE 17 CO -0.06 -0.18 -0.21 0.99 -1.46 0.00 0.00 175.22 174.30 1ukr s THR 18 N 1.81 1.70 0.17 0.12 2.01 -0.70 -5.00 115.64 115.75 1ukr s THR 18 Ca 0.08 -1.26 -0.19 0.00 0.31 0.00 0.00 61.69 60.63 1ukr s THR 18 Cb -0.16 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 70.91 1ukr s THR 18 CO 0.11 0.17 0.53 -0.72 -0.69 0.00 0.00 174.62 174.02 1ukr s TYR 19 N -0.85 -0.28 -0.25 4.92 1.13 -1.26 -1.02 117.35 119.73 1ukr s TYR 19 Ca 0.08 -0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.70 1ukr s TYR 19 Cb -0.09 0.44 0.12 0.00 -1.10 0.00 0.00 41.96 41.33 1ukr s TYR 19 CO 0.02 -0.86 0.29 0.34 -2.51 0.00 0.00 175.55 172.83 1ukr s ASP 20 N -2.82 1.26 0.42 -0.18 -1.08 -0.63 -4.99 116.67 108.65 1ukr s ASP 20 Ca 0.05 -0.38 0.16 0.00 -0.52 0.00 0.00 52.55 51.87 1ukr s ASP 20 Cb -0.01 0.60 0.91 0.00 -1.46 0.00 0.00 42.92 42.97 1ukr s ASP 20 CO -0.08 -0.35 1.90 -0.33 0.52 0.00 0.00 175.17 176.83 1ukr h GLU 21 N 8.26 0.00 -0.17 4.34 3.07 -1.96 -1.03 114.58 127.10 1ukr h GLU 21 Ca -0.16 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.49 1ukr h GLU 21 Cb 1.12 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.03 1ukr h GLU 21 CO 0.30 0.29 -0.74 0.77 -1.40 0.00 0.00 179.01 178.23 1ukr h SER 22 N 0.00 0.91 1.47 1.42 0.02 -1.95 -3.05 113.55 112.37 1ukr h SER 22 Ca -0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1ukr h SER 22 Cb 0.55 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1ukr h SER 22 CO 0.04 1.37 -0.12 0.00 -1.14 0.00 0.00 176.83 176.97 1ukr h ALA 23 N 0.62 0.92 -2.07 3.77 0.00 -1.95 -3.48 119.26 117.07 1ukr h ALA 23 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1ukr h ALA 23 Cb 1.36 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.16 1ukr h ALA 23 CO 0.15 0.00 -0.28 0.41 0.00 0.00 0.00 179.25 179.54 1ukr n GLY 24 N 1.27 0.07 3.33 0.00 0.00 -0.45 -4.77 105.19 104.64 1ukr n GLY 24 Ca 0.05 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1ukr n GLY 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ukr s THR 25 N -2.73 1.82 0.16 2.61 -4.23 -0.86 -0.63 115.64 111.79 1ukr s THR 25 Ca 0.10 -1.86 -0.21 0.00 -1.18 0.00 0.00 61.69 58.54 1ukr s THR 25 Cb -0.04 -1.81 0.06 0.00 1.34 0.00 0.00 72.50 72.05 1ukr s THR 25 CO 0.12 -0.26 0.56 0.72 -0.54 0.00 0.00 174.62 175.22 1ukr s PHE 26 N -1.88 -0.43 0.05 3.99 -0.12 -0.63 -1.61 117.98 117.36 1ukr s PHE 26 Ca 0.14 0.17 -0.07 0.00 -0.05 0.00 0.00 56.93 57.13 1ukr s PHE 26 Cb -0.07 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.81 1ukr s PHE 26 CO 0.06 -0.84 0.14 -1.54 -0.05 0.00 0.00 175.22 172.98 1ukr s SER 27 N -2.78 0.14 -0.05 1.98 1.04 -0.18 -1.03 113.70 112.81 1ukr s SER 27 Ca 0.02 -0.53 -0.02 0.00 0.48 0.00 0.00 55.95 55.90 1ukr s SER 27 Cb -0.01 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.41 1ukr s SER 27 CO -0.11 -0.57 0.09 -0.32 0.98 0.00 0.00 173.24 173.31 1ukr s MET 28 N -2.91 -0.03 -0.15 4.02 0.00 0.04 -1.73 119.30 118.54 1ukr s MET 28 Ca -0.02 0.40 -0.01 0.00 0.00 0.00 0.00 55.69 56.05 1ukr s MET 28 Cb 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 34.83 34.45 1ukr s MET 28 CO -0.06 -0.28 -0.10 0.71 0.00 0.00 0.00 175.02 175.28 1ukr s TYR 29 N 1.95 2.87 -0.29 4.11 2.02 -0.85 -0.72 117.35 126.44 1ukr s TYR 29 Ca 0.01 -0.69 0.19 0.00 -0.37 0.00 0.00 57.07 56.21 1ukr s TYR 29 Cb -0.12 -1.91 0.49 0.00 -0.40 0.00 0.00 41.96 40.01 1ukr s TYR 29 CO -0.04 -0.28 1.07 -2.67 -1.57 0.00 0.00 175.55 172.06 1ukr n TRP 30 N 3.82 1.48 0.30 2.71 2.14 -0.09 -0.82 117.44 126.97 1ukr n TRP 30 Ca -0.18 -2.40 0.17 0.00 2.07 0.00 0.00 57.50 57.17 1ukr n TRP 30 Cb 0.52 -0.28 0.83 0.00 -0.81 0.00 0.00 31.31 31.57 1ukr n TRP 30 CO 0.00 0.00 0.00 0.93 2.07 0.00 0.00 177.69 180.69 1ukr h GLU 31 N 2.69 0.00 -0.00 -2.67 5.08 -1.84 0.30 114.58 118.13 1ukr h GLU 31 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ukr h GLU 31 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ukr h GLU 31 CO 0.37 0.00 -0.22 -0.25 -1.00 0.00 0.00 179.01 177.90 1ukr n ASP 32 N -2.80 0.48 0.00 1.42 8.00 -1.26 -4.70 116.55 117.68 1ukr n ASP 32 Ca -0.01 -0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1ukr n ASP 32 Cb 0.16 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 1ukr n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ukr n GLY 33 N 1.39 1.74 3.07 0.44 0.00 0.07 -4.96 105.19 106.95 1ukr n GLY 33 Ca 0.10 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 1ukr n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukr s VAL 34 N -2.74 0.10 -0.03 1.61 1.01 -0.78 -4.95 120.40 114.63 1ukr s VAL 34 Ca 0.00 -0.84 0.12 0.00 0.00 0.00 0.00 61.98 61.26 1ukr s VAL 34 Cb 0.00 -0.48 0.22 0.00 0.00 0.00 0.00 36.38 36.12 1ukr s VAL 34 CO 0.00 -0.46 1.10 -1.54 0.00 0.00 0.00 175.10 174.19 1ukr n SER 35 N 1.35 0.78 -3.85 3.32 3.41 -1.26 -3.39 113.62 113.98 1ukr n SER 35 Ca -0.22 -2.30 -0.09 0.00 -0.26 0.00 0.00 58.87 55.99 1ukr n SER 35 Cb 0.56 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.15 1ukr n SER 35 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ukr s SER 36 N -1.77 0.09 0.16 4.04 0.15 -1.22 -4.92 113.70 110.22 1ukr s SER 36 Ca 0.19 -0.65 -0.30 0.00 0.70 0.00 0.00 55.95 55.89 1ukr s SER 36 Cb 0.20 0.36 -0.07 0.00 -1.71 0.00 0.00 66.02 64.79 1ukr s SER 36 CO -0.06 -0.75 1.16 -0.62 1.20 0.00 0.00 173.24 174.17 1ukr s ASP 37 N -2.87 7.14 0.09 5.45 2.15 -1.26 -4.34 116.67 123.04 1ukr s ASP 37 Ca 0.06 2.14 0.06 0.00 0.43 0.00 0.00 52.55 55.24 1ukr s ASP 37 Cb 0.05 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 40.03 1ukr s ASP 37 CO -0.10 -0.34 -0.14 0.72 -0.17 0.00 0.00 175.17 175.13 1ukr s PHE 38 N 0.10 1.31 -0.11 -5.34 -0.12 -0.48 -4.67 117.98 108.67 1ukr s PHE 38 Ca 0.53 -0.50 -0.02 0.00 -0.05 0.00 0.00 56.93 56.88 1ukr s PHE 38 Cb -0.31 -0.72 0.04 0.00 -0.63 0.00 0.00 43.02 41.41 1ukr s PHE 38 CO 0.35 0.09 0.04 0.08 -0.05 0.00 0.00 175.22 175.73 1ukr s VAL 39 N -1.61 0.20 0.11 -2.49 1.01 -0.17 -2.39 120.40 115.05 1ukr s VAL 39 Ca 0.03 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.07 1ukr s VAL 39 Cb -0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1ukr s VAL 39 CO 0.03 0.05 -0.15 0.68 0.00 0.00 0.00 175.10 175.70 1ukr s VAL 40 N 2.03 1.31 -3.14 2.92 -7.23 -0.66 -1.17 120.40 114.46 1ukr s VAL 40 Ca 0.03 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1ukr s VAL 40 Cb -0.14 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.39 1ukr s VAL 40 CO -0.06 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1ukr n GLY 41 N 0.78 -1.70 3.19 2.32 0.00 -0.69 -1.18 105.19 107.90 1ukr n GLY 41 Ca -0.17 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.53 1ukr n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ukr s LEU 42 N 0.00 2.26 0.00 0.99 1.43 -1.05 -0.70 118.68 121.61 1ukr s LEU 42 Ca 0.00 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1ukr s LEU 42 Cb 0.00 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.63 1ukr s LEU 42 CO 0.00 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.15 1ukr n GLY 43 N 1.34 -1.07 3.11 -3.19 0.00 -0.48 -1.56 105.19 103.33 1ukr n GLY 43 Ca -0.20 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1ukr n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ukr s TRP 44 N -4.00 1.12 0.36 1.61 0.51 -0.15 -1.39 118.94 117.01 1ukr s TRP 44 Ca 0.00 -0.30 0.22 0.00 -2.12 0.00 0.00 56.10 53.90 1ukr s TRP 44 Cb 0.00 -0.69 1.17 0.00 -0.81 0.00 0.00 33.47 33.14 1ukr s TRP 44 CO 0.00 0.01 1.97 1.79 -0.51 0.00 0.00 176.95 180.21 1ukr h THR 45 N 4.64 0.77 -3.23 2.01 1.35 -1.86 -1.64 112.91 114.95 1ukr h THR 45 Ca -0.36 -0.80 -0.55 0.00 -0.55 0.00 0.00 66.41 64.15 1ukr h THR 45 Cb 1.18 1.49 -0.36 0.00 -1.73 0.00 0.00 68.15 68.73 1ukr h THR 45 CO 0.46 0.20 -0.82 -0.89 -0.25 0.00 0.00 175.52 174.21 1ukr s THR 46 N -4.14 1.26 0.89 6.82 2.01 -1.26 -2.73 115.64 118.48 1ukr s THR 46 Ca -0.02 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 61.39 1ukr s THR 46 Cb 0.13 -1.20 0.13 0.00 0.01 0.00 0.00 72.50 71.57 1ukr s THR 46 CO 0.63 0.40 1.10 -0.83 -0.69 0.00 0.00 174.62 175.24 1ukr s GLY 47 N 1.33 1.60 0.35 4.40 0.00 0.26 -4.77 107.32 110.48 1ukr s GLY 47 Ca -0.01 -0.27 -0.13 0.00 0.00 0.00 0.00 44.72 44.32 1ukr s GLY 47 CO -0.05 0.24 0.67 -1.35 0.00 0.00 0.00 173.10 172.61 1ukr s SER 48 N -3.70 0.19 -0.02 1.64 1.04 -1.26 -4.79 113.70 106.81 1ukr s SER 48 Ca 0.63 -1.14 0.16 0.00 0.48 0.00 0.00 55.95 56.08 1ukr s SER 48 Cb -0.16 0.76 0.48 0.00 0.10 0.00 0.00 66.02 67.19 1ukr s SER 48 CO 0.55 -1.49 1.39 -1.54 0.98 0.00 0.00 173.24 173.13 1ukr n SER 49 N -1.18 2.96 -4.75 7.02 3.41 -1.26 -4.94 113.62 114.89 1ukr n SER 49 Ca -0.05 -2.06 -0.37 0.00 -0.26 0.00 0.00 58.87 56.13 1ukr n SER 49 Cb 0.60 -0.38 0.04 0.00 -0.26 0.00 0.00 64.21 64.21 1ukr n SER 49 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ukr s ASN 50 N -0.96 5.18 0.45 4.04 0.02 -1.26 -2.90 114.94 119.52 1ukr s ASN 50 Ca 0.36 2.48 -0.24 0.00 -1.02 0.00 0.00 52.86 54.43 1ukr s ASN 50 Cb 0.19 -2.61 -0.07 0.00 0.02 0.00 0.00 41.25 38.78 1ukr s ASN 50 CO 0.23 -1.60 1.28 0.00 0.02 0.00 0.00 177.10 177.02 1ukr s ALA 51 N -1.51 3.08 -0.10 0.60 0.00 -1.26 -4.41 121.76 118.16 1ukr s ALA 51 Ca 0.76 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.93 1ukr s ALA 51 Cb -0.33 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.31 1ukr s ALA 51 CO 0.36 -0.91 -0.23 0.42 0.00 0.00 0.00 175.76 175.41 1ukr s ILE 52 N -1.35 2.16 -0.11 0.00 1.01 -0.53 -4.96 121.20 117.42 1ukr s ILE 52 Ca 0.62 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1ukr s ILE 52 Cb -0.36 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1ukr s ILE 52 CO 0.45 0.56 -0.14 -0.89 0.00 0.00 0.00 174.94 174.91 1ukr s THR 53 N 0.33 2.97 0.15 2.92 2.01 -1.26 -0.84 115.64 121.92 1ukr s THR 53 Ca -0.18 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 1ukr s THR 53 Cb -0.18 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 1ukr s THR 53 CO 0.09 0.54 0.15 -0.72 -0.69 0.00 0.00 174.62 173.98 1ukr s TYR 54 N 0.12 0.71 -0.06 4.92 1.13 -0.62 -1.07 117.35 122.49 1ukr s TYR 54 Ca -0.07 -1.07 -0.03 0.00 -1.41 0.00 0.00 57.07 54.48 1ukr s TYR 54 Cb -0.15 -0.33 0.03 0.00 -1.10 0.00 0.00 41.96 40.41 1ukr s TYR 54 CO 0.05 -0.60 0.13 0.45 -2.51 0.00 0.00 175.55 173.07 1ukr s SER 55 N -3.03 -0.11 0.06 -0.18 0.15 -0.26 -1.76 113.70 108.57 1ukr s SER 55 Ca 0.23 0.27 -0.09 0.00 0.70 0.00 0.00 55.95 57.06 1ukr s SER 55 Cb 0.06 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1ukr s SER 55 CO 0.02 -0.10 0.19 0.00 1.20 0.00 0.00 173.24 174.55 1ukr s ALA 56 N 0.68 -0.29 -0.23 5.45 0.00 0.72 -0.69 121.76 127.39 1ukr s ALA 56 Ca -0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1ukr s ALA 56 Cb -0.07 0.36 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1ukr s ALA 56 CO -0.03 -0.42 0.01 -1.21 0.00 0.00 0.00 175.76 174.11 1ukr s GLU 57 N -3.07 3.52 -0.07 0.00 0.41 0.00 -4.68 118.70 114.81 1ukr s GLU 57 Ca -0.01 -0.55 -0.03 0.00 -0.41 0.00 0.00 54.97 53.97 1ukr s GLU 57 Cb 0.01 -3.15 0.04 0.00 -1.78 0.00 0.00 34.13 29.25 1ukr s GLU 57 CO -0.07 -0.17 0.14 -0.47 -0.49 0.00 0.00 175.26 174.20 1ukr s TYR 58 N 1.49 -0.15 -0.19 1.61 5.04 -1.26 -1.25 117.35 122.64 1ukr s TYR 58 Ca 0.06 0.51 -0.03 0.00 -2.44 0.00 0.00 57.07 55.16 1ukr s TYR 58 Cb -0.15 -0.18 0.06 0.00 0.35 0.00 0.00 41.96 42.05 1ukr s TYR 58 CO 0.00 -0.21 0.04 0.45 -1.34 0.00 0.00 175.55 174.50 1ukr s SER 59 N 1.66 2.86 -0.02 4.32 0.15 0.10 -5.01 113.70 117.76 1ukr s SER 59 Ca -0.04 -0.81 0.18 0.00 0.70 0.00 0.00 55.95 55.98 1ukr s SER 59 Cb -0.12 -0.56 0.31 0.00 -1.71 0.00 0.00 66.02 63.94 1ukr s SER 59 CO -0.06 -0.31 1.13 0.00 1.20 0.00 0.00 173.24 175.20 1ukr n ALA 60 N 5.07 2.80 -1.95 5.45 0.00 -1.26 -1.54 120.51 129.09 1ukr n ALA 60 Ca -0.09 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.09 1ukr n ALA 60 Cb 0.47 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 1ukr n ALA 60 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ukr s SER 61 N -1.78 6.62 -0.84 0.00 0.01 -1.26 -1.42 113.70 115.02 1ukr s SER 61 Ca 0.23 2.60 0.00 0.00 1.31 0.00 0.00 55.95 60.09 1ukr s SER 61 Cb 0.27 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1ukr s SER 61 CO -0.11 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.36 1ukr n GLY 62 N 3.43 0.96 3.33 3.44 0.00 -1.26 -4.69 105.19 110.40 1ukr n GLY 62 Ca 0.12 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.40 1ukr n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ukr s SER 63 N -2.67 3.54 -0.84 1.61 0.15 -0.50 -4.29 113.70 110.69 1ukr s SER 63 Ca 0.00 -0.41 -0.25 0.00 0.70 0.00 0.00 55.95 55.99 1ukr s SER 63 Cb 0.00 -1.20 0.04 0.00 -1.71 0.00 0.00 66.02 63.15 1ukr s SER 63 CO 0.00 0.22 1.32 0.00 1.20 0.00 0.00 173.24 175.98 1ukr s ALA 64 N 0.01 2.77 0.08 5.45 0.00 -1.07 -1.43 121.76 127.57 1ukr s ALA 64 Ca -0.07 -1.76 -0.09 0.00 0.00 0.00 0.00 51.96 50.05 1ukr s ALA 64 Cb -0.15 -4.33 -0.00 0.00 0.00 0.00 0.00 23.12 18.64 1ukr s ALA 64 CO 0.05 -3.37 0.19 0.45 0.00 0.00 0.00 175.76 173.07 1ukr s SER 65 N 4.19 0.11 0.02 0.00 0.15 -1.26 -1.44 113.70 115.46 1ukr s SER 65 Ca 0.38 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.45 1ukr s SER 65 Cb -0.05 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1ukr s SER 65 CO 0.05 -0.69 -0.07 -0.31 1.20 0.00 0.00 173.24 173.42 1ukr s TYR 66 N -3.61 0.57 -0.31 3.44 2.02 -0.30 -1.41 117.35 117.74 1ukr s TYR 66 Ca 0.03 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.38 1ukr s TYR 66 Cb 0.04 -0.35 0.02 0.00 -0.40 0.00 0.00 41.96 41.26 1ukr s TYR 66 CO -0.10 -0.04 0.11 -1.17 -1.57 0.00 0.00 175.55 172.78 1ukr s LEU 67 N -0.77 4.06 0.05 -1.29 2.96 -0.39 -1.92 118.68 121.38 1ukr s LEU 67 Ca -0.03 -0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 52.96 1ukr s LEU 67 Cb -0.06 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1ukr s LEU 67 CO 0.00 -0.24 0.23 0.00 -1.32 0.00 0.00 176.35 175.03 1ukr s ALA 68 N 1.50 -0.47 -0.05 5.97 0.00 -0.60 -1.60 121.76 126.52 1ukr s ALA 68 Ca 0.02 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 1ukr s ALA 68 Cb -0.18 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1ukr s ALA 68 CO 0.03 -0.40 0.68 0.08 0.00 0.00 0.00 175.76 176.16 1ukr s VAL 69 N -2.71 5.00 0.02 0.00 1.01 -0.49 -0.77 120.40 122.47 1ukr s VAL 69 Ca -0.04 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.37 1ukr s VAL 69 Cb -0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1ukr s VAL 69 CO -0.05 0.29 -0.05 -0.47 0.00 0.00 0.00 175.10 174.83 1ukr s TYR 70 N 0.55 0.41 -0.04 5.22 5.04 -0.12 -0.89 117.35 127.52 1ukr s TYR 70 Ca 0.36 -0.39 -0.12 0.00 -2.44 0.00 0.00 57.07 54.48 1ukr s TYR 70 Cb -0.18 -0.26 0.04 0.00 0.35 0.00 0.00 41.96 41.91 1ukr s TYR 70 CO 0.18 -0.10 0.54 0.41 -1.34 0.00 0.00 175.55 175.24 1ukr n GLY 71 N 1.91 0.27 3.06 8.97 0.00 -1.04 -0.67 105.19 117.68 1ukr n GLY 71 Ca -0.21 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 1ukr n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ukr s TRP 72 N -2.01 0.51 -0.07 1.61 0.52 -0.94 -1.60 118.94 116.96 1ukr s TRP 72 Ca 0.13 -0.78 0.05 0.00 0.02 0.00 0.00 56.10 55.52 1ukr s TRP 72 Cb -0.00 -0.34 -0.01 0.00 -1.15 0.00 0.00 33.47 31.97 1ukr s TRP 72 CO -0.01 -0.24 -0.23 0.08 0.02 0.00 0.00 176.95 176.57 1ukr s VAL 73 N -2.68 2.25 0.01 4.03 1.01 0.43 -0.78 120.40 124.66 1ukr s VAL 73 Ca -0.02 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 1ukr s VAL 73 Cb -0.01 -1.84 -0.16 0.00 0.00 0.00 0.00 36.38 34.37 1ukr s VAL 73 CO -0.05 0.57 1.21 0.78 0.00 0.00 0.00 175.10 177.60 1ukr h ASN 74 N 6.16 -0.37 -3.50 3.32 2.35 -1.30 -2.38 115.58 119.85 1ukr h ASN 74 Ca -0.31 -0.17 -0.24 0.00 -0.55 0.00 0.00 56.30 55.04 1ukr h ASN 74 Cb 1.19 0.09 -0.31 0.00 0.05 0.00 0.00 38.32 39.34 1ukr h ASN 74 CO 0.48 0.01 -0.60 -0.47 -1.65 0.00 0.00 177.43 175.20 1ukr s TYR 75 N -4.59 -0.16 0.29 1.19 5.04 -1.26 -3.07 117.35 114.79 1ukr s TYR 75 Ca -0.14 0.45 -0.30 0.00 -2.44 0.00 0.00 57.07 54.64 1ukr s TYR 75 Cb 0.02 -0.06 -0.12 0.00 0.35 0.00 0.00 41.96 42.15 1ukr s TYR 75 CO 0.53 -0.15 1.55 -2.30 -1.34 0.00 0.00 175.55 173.84 1ukr n PRO 76 N 3.97 2.57 -1.96 4.97 -0.02 -1.26 -4.84 135.00 138.43 1ukr n PRO 76 Ca -0.24 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 1ukr n PRO 76 Cb 0.53 -2.66 -0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1ukr n PRO 76 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ukr s GLN 77 N -0.66 4.18 -0.06 -0.52 0.74 -1.18 -4.71 119.66 117.45 1ukr s GLN 77 Ca 0.64 2.25 -0.05 0.00 0.05 0.00 0.00 55.36 58.25 1ukr s GLN 77 Cb -0.52 -3.93 0.02 0.00 1.10 0.00 0.00 33.01 29.68 1ukr s GLN 77 CO 0.50 -0.83 0.16 0.00 -0.55 0.00 0.00 175.29 174.57 1ukr s ALA 78 N 3.80 -0.39 -0.17 1.58 0.00 -0.90 -2.29 121.76 123.40 1ukr s ALA 78 Ca 0.75 0.48 -0.08 0.00 0.00 0.00 0.00 51.96 53.11 1ukr s ALA 78 Cb -0.35 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1ukr s ALA 78 CO 0.31 -0.08 0.12 -2.00 0.00 0.00 0.00 175.76 174.11 1ukr s GLU 79 N 0.20 3.87 0.05 0.00 2.12 -0.14 -0.43 118.70 124.38 1ukr s GLU 79 Ca -0.01 -0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.14 1ukr s GLU 79 Cb -0.02 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1ukr s GLU 79 CO -0.00 0.48 -0.09 1.52 -0.54 0.00 0.00 175.26 176.62 1ukr s TYR 80 N -0.16 0.80 -0.01 5.30 -0.85 -0.63 -1.88 117.35 119.93 1ukr s TYR 80 Ca 0.10 -0.54 0.02 0.00 -0.52 0.00 0.00 57.07 56.13 1ukr s TYR 80 Cb -0.11 -0.47 -0.00 0.00 0.38 0.00 0.00 41.96 41.75 1ukr s TYR 80 CO 0.00 -0.06 -0.06 0.71 -1.52 0.00 0.00 175.55 174.62 1ukr s TYR 81 N -1.62 0.56 -0.37 -3.49 1.51 -0.40 -2.51 117.35 111.02 1ukr s TYR 81 Ca -0.06 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1ukr s TYR 81 Cb -0.08 -0.37 0.11 0.00 -0.11 0.00 0.00 41.96 41.51 1ukr s TYR 81 CO 0.00 -0.02 0.10 0.42 -1.11 0.00 0.00 175.55 174.94 1ukr s ILE 82 N -0.09 2.46 -0.42 2.71 1.01 -0.07 -1.71 121.20 125.09 1ukr s ILE 82 Ca 0.02 -2.42 -0.25 0.00 0.00 0.00 0.00 60.65 57.99 1ukr s ILE 82 Cb -0.03 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1ukr s ILE 82 CO -0.00 -0.64 0.92 -0.69 0.00 0.00 0.00 174.94 174.53 1ukr s VAL 83 N 0.79 4.53 -0.00 2.92 1.01 0.31 -1.39 120.40 128.57 1ukr s VAL 83 Ca 0.11 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.97 1ukr s VAL 83 Cb -0.20 -4.38 -0.28 0.00 0.00 0.00 0.00 36.38 31.51 1ukr s VAL 83 CO -0.07 -0.70 0.84 -0.33 0.00 0.00 0.00 175.10 174.84 1ukr h GLU 84 N 8.82 0.28 -3.51 2.72 4.39 -1.59 -1.00 114.58 124.68 1ukr h GLU 84 Ca -0.24 -0.49 -0.06 0.00 0.34 0.00 0.00 59.36 58.92 1ukr h GLU 84 Cb 1.08 0.18 -0.13 0.00 -0.10 0.00 0.00 28.75 29.78 1ukr h GLU 84 CO 1.00 1.16 -0.15 0.34 -1.16 0.00 0.00 179.01 180.20 1ukr s ASP 85 N -7.05 -0.14 0.31 1.42 -1.08 -1.20 -2.05 116.67 106.88 1ukr s ASP 85 Ca -0.10 -0.45 -0.19 0.00 -0.52 0.00 0.00 52.55 51.29 1ukr s ASP 85 Cb 0.06 0.45 0.04 0.00 -1.46 0.00 0.00 42.92 42.01 1ukr s ASP 85 CO 0.86 -0.85 0.78 -0.72 0.52 0.00 0.00 175.17 175.76 1ukr s TYR 86 N -3.83 -0.06 0.00 -5.34 1.13 -1.26 -1.26 117.35 106.73 1ukr s TYR 86 Ca 0.05 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 1ukr s TYR 86 Cb 0.02 0.76 0.00 0.00 -1.10 0.00 0.00 41.96 41.64 1ukr s TYR 86 CO -0.10 -1.33 0.00 0.41 -2.51 0.00 0.00 175.55 172.02 1ukr n GLY 87 N -0.50 0.52 1.43 5.49 0.00 -0.50 -4.91 105.19 106.72 1ukr n GLY 87 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 1ukr n GLY 87 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ukr n ASP 88 N 0.00 4.24 -4.17 1.61 5.68 -0.52 -4.85 116.55 118.54 1ukr n ASP 88 Ca 0.00 -2.16 -0.32 0.00 -0.50 0.00 0.00 54.79 51.81 1ukr n ASP 88 Cb 0.00 -0.52 -0.17 0.00 -1.14 0.00 0.00 41.12 39.30 1ukr n ASP 88 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ukr s TYR 89 N -1.30 2.57 -0.31 2.11 5.04 -1.26 -5.00 117.35 119.20 1ukr s TYR 89 Ca 0.50 -1.25 -0.09 0.00 -2.44 0.00 0.00 57.07 53.79 1ukr s TYR 89 Cb 0.28 -1.75 0.01 0.00 0.35 0.00 0.00 41.96 40.84 1ukr s TYR 89 CO 0.30 -0.57 0.13 1.21 -1.34 0.00 0.00 175.55 175.28 1ukr s ASN 90 N 0.75 5.39 0.49 4.32 3.84 -1.26 -4.84 114.94 123.64 1ukr s ASN 90 Ca -0.09 -0.69 0.16 0.00 0.21 0.00 0.00 52.86 52.45 1ukr s ASN 90 Cb -0.16 -1.95 1.19 0.00 -0.55 0.00 0.00 41.25 39.79 1ukr s ASN 90 CO -0.00 -0.23 2.09 1.55 -2.79 0.00 0.00 177.10 177.72 1ukr h PRO 91 N 8.31 0.00 0.00 0.43 0.13 -2.00 -2.47 132.00 136.40 1ukr h PRO 91 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1ukr h PRO 91 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ukr h PRO 91 CO 0.62 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 1ukr h SER 93 N 0.00 0.61 0.07 0.00 4.64 -1.87 -3.07 113.55 113.93 1ukr h SER 93 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1ukr h SER 93 Cb 0.59 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1ukr h SER 93 CO 0.00 0.46 -2.02 -1.20 -0.87 0.00 0.00 176.83 173.20 1ukr n SER 94 N -4.44 0.07 -4.86 4.97 7.64 -1.16 -5.04 113.62 110.81 1ukr n SER 94 Ca 0.05 0.03 -0.22 0.00 1.01 0.00 0.00 58.87 59.73 1ukr n SER 94 Cb 0.07 1.63 0.07 0.00 -1.01 0.00 0.00 64.21 64.97 1ukr n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ukr s ALA 95 N -3.25 3.79 -0.21 -0.43 0.00 -1.09 -5.03 121.76 115.54 1ukr s ALA 95 Ca -0.08 -1.47 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 1ukr s ALA 95 Cb 0.12 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.15 1ukr s ALA 95 CO 0.88 -1.06 1.45 0.99 0.00 0.00 0.00 175.76 178.02 1ukr s THR 96 N -2.94 3.95 0.36 0.00 2.01 -0.63 -4.83 115.64 113.56 1ukr s THR 96 Ca 0.61 1.10 -0.27 0.00 0.31 0.00 0.00 61.69 63.44 1ukr s THR 96 Cb -0.08 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 1ukr s THR 96 CO 0.41 -0.29 1.22 -0.55 -0.69 0.00 0.00 174.62 174.72 1ukr s SER 97 N 3.19 6.69 0.00 3.53 0.15 -1.26 -0.76 113.70 125.24 1ukr s SER 97 Ca 0.63 2.48 0.00 0.00 0.70 0.00 0.00 55.95 59.77 1ukr s SER 97 Cb -0.23 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1ukr s SER 97 CO 0.24 -0.57 0.00 -0.11 1.20 0.00 0.00 173.24 174.00 1ukr n LEU 98 N 0.49 0.00 0.00 3.45 7.94 -0.25 -4.90 117.00 123.73 1ukr n LEU 98 Ca 0.02 -0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1ukr n LEU 98 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1ukr n LEU 98 CO 0.55 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.44 1ukr n GLY 99 N 2.25 0.70 2.97 -3.96 0.00 -1.17 -4.98 105.19 101.00 1ukr n GLY 99 Ca 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 1ukr n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukr s THR 100 N -3.29 0.01 0.08 2.61 2.01 -1.26 -1.64 115.64 114.15 1ukr s THR 100 Ca 0.00 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.03 1ukr s THR 100 Cb 0.00 -0.15 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1ukr s THR 100 CO 0.00 -0.03 -0.21 0.54 -0.69 0.00 0.00 174.62 174.23 1ukr s VAL 101 N -0.05 1.73 -0.12 3.82 0.11 -0.87 -4.96 120.40 120.07 1ukr s VAL 101 Ca -0.01 -1.42 -0.00 0.00 -2.93 0.00 0.00 61.98 57.62 1ukr s VAL 101 Cb -0.01 -1.54 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1ukr s VAL 101 CO 0.00 0.06 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.25 1ukr s TYR 102 N -1.01 2.85 -0.20 1.54 5.04 -1.26 -0.54 117.35 123.77 1ukr s TYR 102 Ca 0.07 -0.44 -0.27 0.00 -2.44 0.00 0.00 57.07 53.98 1ukr s TYR 102 Cb -0.10 -1.82 0.10 0.00 0.35 0.00 0.00 41.96 40.50 1ukr s TYR 102 CO 0.03 -0.07 0.88 0.45 -1.34 0.00 0.00 175.55 175.51 1ukr s SER 103 N 0.08 -0.54 -1.70 4.32 0.15 -0.03 -4.98 113.70 110.99 1ukr s SER 103 Ca -0.04 0.87 -0.16 0.00 0.70 0.00 0.00 55.95 57.32 1ukr s SER 103 Cb -0.14 0.82 0.14 0.00 -1.71 0.00 0.00 66.02 65.13 1ukr s SER 103 CO 0.04 -0.31 0.61 0.47 1.20 0.00 0.00 173.24 175.25 1ukr n ASP 104 N 1.72 -2.11 0.00 5.45 8.00 -1.26 -1.77 116.55 126.58 1ukr n ASP 104 Ca -0.14 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1ukr n ASP 104 Cb 0.56 -2.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.30 1ukr n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ukr n GLY 105 N -1.51 0.83 3.43 0.44 0.00 -1.26 -4.97 105.19 102.16 1ukr n GLY 105 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1ukr n GLY 105 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ukr s SER 106 N -2.01 -0.57 0.53 1.61 0.15 -0.73 -5.00 113.70 107.69 1ukr s SER 106 Ca 0.00 0.12 -0.12 0.00 0.70 0.00 0.00 55.95 56.64 1ukr s SER 106 Cb 0.00 0.58 -0.06 0.00 -1.71 0.00 0.00 66.02 64.83 1ukr s SER 106 CO 0.00 -0.90 0.94 0.42 1.20 0.00 0.00 173.24 174.91 1ukr s THR 107 N -3.28 4.68 -0.06 6.45 -4.23 -1.26 -0.85 115.64 117.10 1ukr s THR 107 Ca -0.01 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 61.39 1ukr s THR 107 Cb -0.01 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.06 1ukr s THR 107 CO -0.09 -0.85 -0.09 -0.31 -0.54 0.00 0.00 174.62 172.75 1ukr s TYR 108 N -2.80 1.14 0.23 3.99 1.51 0.30 -1.80 117.35 119.92 1ukr s TYR 108 Ca 0.55 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.92 1ukr s TYR 108 Cb -0.10 -0.89 -0.09 0.00 -0.11 0.00 0.00 41.96 40.76 1ukr s TYR 108 CO 0.41 -0.25 1.29 -0.65 -1.11 0.00 0.00 175.55 175.25 1ukr s GLN 109 N 0.81 4.40 -0.09 -0.62 -0.21 -0.25 -2.06 119.66 121.65 1ukr s GLN 109 Ca -0.12 2.07 0.03 0.00 0.02 0.00 0.00 55.36 57.36 1ukr s GLN 109 Cb -0.15 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.68 1ukr s GLN 109 CO 0.02 -0.20 -0.20 0.08 -2.12 0.00 0.00 175.29 172.87 1ukr s VAL 110 N -0.26 2.49 0.25 1.09 1.01 -0.65 -0.38 120.40 123.95 1ukr s VAL 110 Ca 0.54 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1ukr s VAL 110 Cb -0.37 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1ukr s VAL 110 CO 0.41 0.56 0.37 0.00 0.00 0.00 0.00 175.10 176.44 1ukr s THR 112 N -3.92 0.18 0.15 0.00 -1.32 0.06 -1.33 115.64 109.47 1ukr s THR 112 Ca 0.29 -1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 59.10 1ukr s THR 112 Cb 0.02 -1.25 0.04 0.00 -1.51 0.00 0.00 72.50 69.80 1ukr s THR 112 CO 0.12 -0.82 0.48 -0.62 -2.21 0.00 0.00 174.62 171.57 1ukr s ASP 113 N -2.62 -0.33 -0.11 8.08 2.15 -0.88 -1.61 116.67 121.33 1ukr s ASP 113 Ca 0.02 -0.26 0.03 0.00 0.43 0.00 0.00 52.55 52.77 1ukr s ASP 113 Cb 0.04 0.53 0.01 0.00 -0.30 0.00 0.00 42.92 43.20 1ukr s ASP 113 CO -0.08 -0.93 -0.22 -0.89 -0.17 0.00 0.00 175.17 172.88 1ukr s THR 114 N -3.80 1.95 -0.20 1.71 2.01 -1.26 -0.72 115.64 115.32 1ukr s THR 114 Ca 0.04 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.04 1ukr s THR 114 Cb 0.00 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1ukr s THR 114 CO -0.10 0.53 0.04 -0.13 -0.69 0.00 0.00 174.62 174.26 1ukr s ARG 115 N 0.62 3.76 -0.11 4.92 1.81 -0.39 -5.00 118.95 124.55 1ukr s ARG 115 Ca -0.13 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 1ukr s ARG 115 Cb -0.17 -3.17 -0.02 0.00 -0.45 0.00 0.00 34.95 31.14 1ukr s ARG 115 CO 0.03 0.08 -0.11 0.95 -0.68 0.00 0.00 175.30 175.58 1ukr s THR 116 N 0.85 3.31 -0.88 0.02 -4.23 -1.26 -1.17 115.64 112.28 1ukr s THR 116 Ca 0.02 -0.59 -0.19 0.00 -1.18 0.00 0.00 61.69 59.75 1ukr s THR 116 Cb -0.14 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.35 1ukr s THR 116 CO 0.02 0.54 0.53 0.59 -0.54 0.00 0.00 174.62 175.76 1ukr n ASN 117 N 3.09 -3.51 -4.34 3.99 3.02 -0.87 -4.92 115.26 111.72 1ukr n ASN 117 Ca -0.18 -0.98 -0.19 0.00 -0.03 0.00 0.00 54.58 53.21 1ukr n ASN 117 Cb 0.53 -1.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.31 1ukr n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ukr s GLU 118 N -6.13 1.33 0.22 3.52 2.02 -0.74 -4.77 118.70 114.14 1ukr s GLU 118 Ca 0.26 -1.57 -0.32 0.00 0.02 0.00 0.00 54.97 53.36 1ukr s GLU 118 Cb -0.15 -1.15 -0.13 0.00 0.10 0.00 0.00 34.13 32.80 1ukr s GLU 118 CO 0.77 0.19 1.49 -2.30 0.02 0.00 0.00 175.26 175.44 1ukr n PRO 119 N -0.32 2.19 -4.07 0.39 -0.02 -1.26 -1.37 135.00 130.54 1ukr n PRO 119 Ca -0.08 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1ukr n PRO 119 Cb 0.60 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 1ukr n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ukr s SER 120 N 0.53 0.60 0.00 2.55 1.04 -0.46 -4.89 113.70 113.08 1ukr s SER 120 Ca 0.71 -1.34 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1ukr s SER 120 Cb -0.63 0.63 0.23 0.00 0.10 0.00 0.00 66.02 66.34 1ukr s SER 120 CO 0.45 -1.24 0.87 2.30 0.98 0.00 0.00 173.24 176.61 1ukr n ILE 121 N -0.50 0.62 -0.11 -1.02 -5.35 -1.26 -1.36 119.36 110.38 1ukr n ILE 121 Ca 0.00 0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1ukr n ILE 121 Cb 0.62 -1.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 1ukr n ILE 121 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1ukr n THR 122 N -1.18 0.95 0.00 7.28 -2.24 -1.26 -5.08 114.28 112.75 1ukr n THR 122 Ca 0.02 -0.96 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1ukr n THR 122 Cb 0.03 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1ukr n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ukr n GLY 123 N -0.49 1.52 2.82 3.38 0.00 -0.46 -4.90 105.19 107.06 1ukr n GLY 123 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1ukr n GLY 123 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukr s THR 124 N 0.00 0.31 0.22 2.61 2.01 -1.26 -1.35 115.64 118.18 1ukr s THR 124 Ca 0.00 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 61.84 1ukr s THR 124 Cb 0.00 -0.41 0.07 0.00 0.01 0.00 0.00 72.50 72.18 1ukr s THR 124 CO 0.00 0.19 1.00 -0.94 -0.69 0.00 0.00 174.62 174.19 1ukr s SER 125 N 1.25 0.01 -0.20 3.53 1.04 -0.47 -4.85 113.70 114.01 1ukr s SER 125 Ca -0.06 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 55.51 1ukr s SER 125 Cb -0.13 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1ukr s SER 125 CO -0.02 -1.11 0.13 -0.89 0.98 0.00 0.00 173.24 172.33 1ukr s THR 126 N -2.15 5.38 0.16 2.02 2.01 -1.26 -1.80 115.64 120.01 1ukr s THR 126 Ca 0.21 0.18 -0.11 0.00 0.31 0.00 0.00 61.69 62.28 1ukr s THR 126 Cb -0.03 -3.45 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1ukr s THR 126 CO 0.06 0.45 0.33 0.72 -0.69 0.00 0.00 174.62 175.49 1ukr s PHE 127 N 0.30 0.23 0.01 4.92 -0.71 -0.32 -4.91 117.98 117.50 1ukr s PHE 127 Ca 0.08 -0.59 -0.03 0.00 -1.04 0.00 0.00 56.93 55.35 1ukr s PHE 127 Cb -0.11 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1ukr s PHE 127 CO -0.02 -0.74 0.21 0.99 -1.34 0.00 0.00 175.22 174.33 1ukr s THR 128 N -3.93 5.39 -0.05 -4.49 2.01 -0.97 -1.27 115.64 112.34 1ukr s THR 128 Ca 0.13 -0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1ukr s THR 128 Cb 0.02 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1ukr s THR 128 CO -0.02 0.28 -0.15 -1.10 -0.69 0.00 0.00 174.62 172.93 1ukr s GLN 129 N -2.05 2.52 -0.06 4.92 -0.21 0.10 -0.96 119.66 123.91 1ukr s GLN 129 Ca 0.29 -0.72 0.06 0.00 0.02 0.00 0.00 55.36 55.01 1ukr s GLN 129 Cb -0.13 -2.36 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 1ukr s GLN 129 CO 0.20 0.59 -0.24 0.71 -2.12 0.00 0.00 175.29 174.43 1ukr s TYR 130 N -0.65 2.40 -0.02 0.91 2.02 -0.79 -2.08 117.35 119.14 1ukr s TYR 130 Ca 0.10 -0.76 0.03 0.00 -0.37 0.00 0.00 57.07 56.07 1ukr s TYR 130 Cb -0.11 -1.58 -0.00 0.00 -0.40 0.00 0.00 41.96 39.86 1ukr s TYR 130 CO 0.01 -0.25 -0.12 -0.06 -1.57 0.00 0.00 175.55 173.56 1ukr s PHE 131 N -0.07 1.16 -0.23 2.71 0.40 -0.44 -1.28 117.98 120.24 1ukr s PHE 131 Ca -0.06 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 55.99 1ukr s PHE 131 Cb -0.14 -0.79 0.03 0.00 0.51 0.00 0.00 43.02 42.62 1ukr s PHE 131 CO 0.04 -0.09 -0.11 -1.12 0.70 0.00 0.00 175.22 174.65 1ukr s SER 132 N 0.01 3.98 -0.23 1.36 0.01 -0.69 -1.44 113.70 116.70 1ukr s SER 132 Ca -0.01 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 1ukr s SER 132 Cb -0.08 -1.59 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 1ukr s SER 132 CO 0.00 -0.09 -0.02 -0.69 0.41 0.00 0.00 173.24 172.86 1ukr s VAL 133 N 1.28 3.53 0.16 3.43 1.01 0.49 -0.53 120.40 129.78 1ukr s VAL 133 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1ukr s VAL 133 Cb -0.16 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 1ukr s VAL 133 CO -0.07 0.36 1.47 -0.60 0.00 0.00 0.00 175.10 176.26 1ukr s ARG 134 N 1.49 4.27 0.08 2.72 3.52 -0.38 -1.09 118.95 129.57 1ukr s ARG 134 Ca 0.05 2.23 -0.07 0.00 -0.13 0.00 0.00 55.73 57.81 1ukr s ARG 134 Cb -0.15 -3.18 -0.23 0.00 -1.56 0.00 0.00 34.95 29.82 1ukr s ARG 134 CO -0.02 -0.49 1.17 0.93 -0.81 0.00 0.00 175.30 176.08 1ukr h GLU 135 N 6.45 0.39 -3.67 5.12 5.08 -1.70 -3.36 114.58 122.89 1ukr h GLU 135 Ca -0.43 -0.56 -0.74 0.00 -1.00 0.00 0.00 59.36 56.63 1ukr h GLU 135 Cb 1.21 0.19 -0.31 0.00 0.50 0.00 0.00 28.75 30.34 1ukr h GLU 135 CO 0.87 1.23 -0.15 -1.12 -1.00 0.00 0.00 179.01 178.84 1ukr s SER 136 N -7.22 5.93 0.59 1.42 0.01 -1.26 -5.05 113.70 108.12 1ukr s SER 136 Ca -0.06 -2.83 -0.20 0.00 1.31 0.00 0.00 55.95 54.18 1ukr s SER 136 Cb 0.07 -2.01 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 1ukr s SER 136 CO 0.89 -0.45 1.31 0.42 0.41 0.00 0.00 173.24 175.83 1ukr s THR 137 N -0.03 2.12 0.21 1.44 -4.23 -1.26 -5.00 115.64 108.89 1ukr s THR 137 Ca 0.18 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 60.72 1ukr s THR 137 Cb -0.15 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1ukr s THR 137 CO -0.06 -0.01 0.24 0.00 -0.54 0.00 0.00 174.62 174.25 1ukr s ARG 138 N -3.15 1.29 -0.02 3.99 1.04 -0.87 -5.01 118.95 116.23 1ukr s ARG 138 Ca 0.77 -1.48 0.03 0.00 -1.04 0.00 0.00 55.73 54.01 1ukr s ARG 138 Cb -0.38 0.34 0.05 0.00 -2.04 0.00 0.00 34.95 32.91 1ukr s ARG 138 CO 0.43 -0.46 0.92 0.25 -0.04 0.00 0.00 175.30 176.39 1ukr n THR 139 N -0.29 0.87 -3.65 4.99 -2.24 -1.26 -3.97 114.28 108.72 1ukr n THR 139 Ca 0.00 -0.93 -0.13 0.00 -2.27 0.00 0.00 64.05 60.71 1ukr n THR 139 Cb 0.64 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 1ukr n THR 139 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1ukr s SER 140 N -1.10 -0.33 0.00 3.42 1.04 -1.26 -0.20 113.70 115.27 1ukr s SER 140 Ca 0.05 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1ukr s SER 140 Cb 0.05 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1ukr s SER 140 CO 0.01 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1ukr n GLY 141 N 0.62 0.14 3.46 7.32 0.00 -0.72 -5.01 105.19 111.00 1ukr n GLY 141 Ca -0.19 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1ukr n GLY 141 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ukr s THR 142 N -2.66 2.96 -0.28 2.61 2.01 -1.26 -1.58 115.64 117.43 1ukr s THR 142 Ca 0.00 -0.83 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 1ukr s THR 142 Cb 0.00 -2.17 0.05 0.00 0.01 0.00 0.00 72.50 70.39 1ukr s THR 142 CO 0.00 0.54 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1ukr s VAL 143 N -0.77 2.80 -1.03 3.82 1.01 -0.02 -4.83 120.40 121.39 1ukr s VAL 143 Ca 0.12 -1.34 -0.19 0.00 0.00 0.00 0.00 61.98 60.57 1ukr s VAL 143 Cb -0.11 -2.57 0.12 0.00 0.00 0.00 0.00 36.38 33.83 1ukr s VAL 143 CO 0.01 -0.01 1.30 -0.89 0.00 0.00 0.00 175.10 175.51 1ukr s THR 144 N 1.24 4.56 0.36 3.92 2.01 -1.26 -1.45 115.64 125.02 1ukr s THR 144 Ca -0.05 -1.62 0.11 0.00 0.31 0.00 0.00 61.69 60.45 1ukr s THR 144 Cb -0.19 -4.90 0.34 0.00 0.01 0.00 0.00 72.50 67.76 1ukr s THR 144 CO -0.03 -1.66 1.83 0.58 -0.69 0.00 0.00 174.62 174.65 1ukr h VAL 145 N 5.81 0.72 -0.66 3.82 2.07 -1.77 -1.77 116.25 124.47 1ukr h VAL 145 Ca 0.22 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1ukr h VAL 145 Cb 0.98 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1ukr h VAL 145 CO 1.23 0.11 0.44 0.00 0.02 0.00 0.00 177.57 179.37 1ukr h ALA 146 N 1.61 1.85 -0.13 1.67 0.00 -1.84 -1.65 119.26 120.77 1ukr h ALA 146 Ca 0.51 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 1ukr h ALA 146 Cb 0.97 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ukr h ALA 146 CO -0.26 0.03 -0.27 -0.91 0.00 0.00 0.00 179.25 177.84 1ukr h ASN 147 N 0.59 0.23 0.07 0.00 -0.26 -1.67 -1.02 115.58 113.51 1ukr h ASN 147 Ca 0.30 -0.07 -0.16 0.00 -0.56 0.00 0.00 56.30 55.81 1ukr h ASN 147 Cb 0.39 -0.06 0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1ukr h ASN 147 CO -0.09 0.51 -0.67 0.45 -1.06 0.00 0.00 177.43 176.56 1ukr h HIS 148 N 0.21 0.54 -0.87 1.19 3.86 -1.47 -2.94 115.15 115.67 1ukr h HIS 148 Ca 0.03 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 1ukr h HIS 148 Cb 0.60 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.98 1ukr h HIS 148 CO 0.01 1.21 0.49 0.74 0.86 0.00 0.00 177.93 181.25 1ukr h PHE 149 N -0.28 1.18 -0.16 2.45 -1.00 -1.13 -1.09 116.94 116.91 1ukr h PHE 149 Ca -0.10 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.53 1ukr h PHE 149 Cb 1.45 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 1ukr h PHE 149 CO 0.18 0.80 -0.43 -0.91 -1.61 0.00 0.00 178.31 176.35 1ukr h ASN 150 N 1.21 0.40 -0.03 2.17 -0.26 -1.28 -0.99 115.58 116.80 1ukr h ASN 150 Ca 0.31 -0.18 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 1ukr h ASN 150 Cb 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1ukr h ASN 150 CO -0.05 0.78 -0.05 0.15 -1.06 0.00 0.00 177.43 177.20 1ukr h PHE 151 N 0.31 0.11 -0.12 1.19 3.57 -1.26 -3.19 116.94 117.54 1ukr h PHE 151 Ca 0.03 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1ukr h PHE 151 Cb 0.88 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1ukr h PHE 151 CO 0.02 0.63 -0.05 -1.49 -2.23 0.00 0.00 178.31 175.20 1ukr h TRP 152 N -0.45 0.18 0.00 0.41 6.55 -1.17 -1.90 115.95 119.57 1ukr h TRP 152 Ca 0.00 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.83 1ukr h TRP 152 Cb 0.62 -0.06 -0.00 0.00 -0.86 0.00 0.00 29.16 28.87 1ukr h TRP 152 CO 0.12 0.23 -0.00 0.00 -1.05 0.00 0.00 178.44 177.74 1ukr h ALA 153 N 1.78 1.10 0.00 1.49 0.00 -1.16 0.26 119.26 122.73 1ukr h ALA 153 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ukr h ALA 153 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ukr h ALA 153 CO 0.01 0.01 0.00 0.45 0.00 0.00 0.00 179.25 179.71 1ukr h HIS 154 N 0.00 0.00 -0.13 0.00 3.86 -1.42 -3.18 115.15 114.28 1ukr h HIS 154 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1ukr h HIS 154 Cb 0.05 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.48 1ukr h HIS 154 CO 0.00 0.00 -0.25 0.72 0.86 0.00 0.00 177.93 179.26 1ukr n HIS 155 N -2.97 0.42 -0.07 2.45 -0.00 0.03 -4.97 115.22 110.11 1ukr n HIS 155 Ca 0.02 -1.40 0.00 0.00 -0.00 0.00 0.00 57.72 56.33 1ukr n HIS 155 Cb 0.34 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 1ukr n HIS 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ukr n GLY 156 N -1.13 0.52 3.71 -1.41 0.00 -1.17 -5.05 105.19 100.66 1ukr n GLY 156 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1ukr n GLY 156 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ukr s PHE 157 N -2.23 2.95 0.47 1.61 5.36 -0.91 -4.89 117.98 120.35 1ukr s PHE 157 Ca 0.00 0.60 0.15 0.00 -0.96 0.00 0.00 56.93 56.72 1ukr s PHE 157 Cb 0.00 -3.91 1.13 0.00 -0.34 0.00 0.00 43.02 39.91 1ukr s PHE 157 CO 0.00 -3.39 2.05 0.78 -1.46 0.00 0.00 175.22 173.20 1ukr h GLY 158 N 7.17 0.30 -4.30 13.12 0.00 -1.88 -3.37 103.07 114.11 1ukr h GLY 158 Ca -0.42 -0.10 -0.23 0.00 0.00 0.00 0.00 47.33 46.58 1ukr h GLY 158 CO 0.91 0.08 -0.31 -2.01 0.00 0.00 0.00 176.54 175.21 1ukr n ASN 159 N -4.47 -3.42 -3.59 0.19 5.15 -1.26 -4.85 115.26 103.00 1ukr n ASN 159 Ca 0.05 0.14 -0.03 0.00 -0.60 0.00 0.00 54.58 54.13 1ukr n ASN 159 Cb 0.27 -2.92 -0.00 0.00 -0.53 0.00 0.00 39.78 36.60 1ukr n ASN 159 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1ukr s SER 160 N -2.15 -0.10 -1.13 1.20 1.04 -1.26 -5.02 113.70 106.28 1ukr s SER 160 Ca 0.07 -0.50 -0.10 0.00 0.48 0.00 0.00 55.95 55.90 1ukr s SER 160 Cb -0.04 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1ukr s SER 160 CO 0.09 -0.92 0.85 -0.67 0.98 0.00 0.00 173.24 173.56 1ukr n ASP 161 N -0.75 -5.14 -4.75 7.02 2.03 -1.26 -4.69 116.55 109.01 1ukr n ASP 161 Ca -0.05 -0.84 -0.40 0.00 0.52 0.00 0.00 54.79 54.02 1ukr n ASP 161 Cb 0.60 -4.36 -0.06 0.00 -0.72 0.00 0.00 41.12 36.59 1ukr n ASP 161 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ukr s PHE 162 N -3.46 3.95 0.00 -0.67 0.08 -1.26 -0.91 117.98 115.71 1ukr s PHE 162 Ca 0.38 1.89 0.00 0.00 0.12 0.00 0.00 56.93 59.32 1ukr s PHE 162 Cb -0.09 -3.01 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1ukr s PHE 162 CO 0.80 0.36 0.00 -1.71 -0.10 0.00 0.00 175.22 174.57 1ukr n ASN 163 N 1.56 0.00 -4.81 1.36 2.85 0.04 -4.45 115.26 111.81 1ukr n ASN 163 Ca -0.02 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.15 1ukr n ASN 163 Cb 0.47 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.56 1ukr n ASN 163 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1ukr s TYR 164 N 3.83 2.93 -0.07 1.20 -0.85 -1.11 -0.57 117.35 122.71 1ukr s TYR 164 Ca 0.00 1.28 -0.03 0.00 -0.52 0.00 0.00 57.07 57.79 1ukr s TYR 164 Cb 0.00 -3.02 0.04 0.00 0.38 0.00 0.00 41.96 39.36 1ukr s TYR 164 CO 0.00 -1.56 0.16 -1.14 -1.52 0.00 0.00 175.55 171.48 1ukr s GLN 165 N -5.10 0.11 0.08 -3.49 0.74 -0.62 -2.21 119.66 109.17 1ukr s GLN 165 Ca 0.60 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 56.37 1ukr s GLN 165 Cb -0.14 -0.15 -0.04 0.00 1.10 0.00 0.00 33.01 33.77 1ukr s GLN 165 CO 0.55 -0.15 -0.00 0.14 -0.55 0.00 0.00 175.29 175.27 1ukr s VAL 166 N 1.10 0.19 -0.20 1.34 -7.23 0.15 -0.98 120.40 114.78 1ukr s VAL 166 Ca -0.08 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 1ukr s VAL 166 Cb -0.11 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1ukr s VAL 166 CO -0.06 -0.82 0.43 -0.69 -0.31 0.00 0.00 175.10 173.66 1ukr s VAL 167 N -3.96 5.17 0.14 1.32 1.01 -0.60 -0.94 120.40 122.54 1ukr s VAL 167 Ca 0.13 0.79 0.05 0.00 0.00 0.00 0.00 61.98 62.94 1ukr s VAL 167 Cb 0.08 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1ukr s VAL 167 CO -0.06 0.24 -0.11 0.00 0.00 0.00 0.00 175.10 175.17 1ukr s ALA 168 N 1.35 1.45 -0.10 5.51 0.00 0.06 -2.54 121.76 127.49 1ukr s ALA 168 Ca 0.21 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.75 1ukr s ALA 168 Cb -0.15 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1ukr s ALA 168 CO 0.09 -0.07 -0.21 0.08 0.00 0.00 0.00 175.76 175.65 1ukr s VAL 169 N -3.12 1.85 0.08 0.00 1.01 -0.33 -1.55 120.40 118.33 1ukr s VAL 169 Ca 0.15 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1ukr s VAL 169 Cb 0.01 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1ukr s VAL 169 CO 0.01 0.51 -0.20 -0.70 0.00 0.00 0.00 175.10 174.72 1ukr s GLU 170 N 0.51 1.16 -0.05 2.72 2.12 -0.81 -1.65 118.70 122.70 1ukr s GLU 170 Ca -0.16 -1.05 -0.30 0.00 0.36 0.00 0.00 54.97 53.82 1ukr s GLU 170 Cb -0.17 -1.34 0.07 0.00 0.26 0.00 0.00 34.13 32.95 1ukr s GLU 170 CO 0.06 0.32 0.66 0.00 -0.54 0.00 0.00 175.26 175.76 1ukr s ALA 171 N -1.04 -1.71 0.00 6.30 0.00 -1.01 -1.15 121.76 123.16 1ukr s ALA 171 Ca 0.06 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1ukr s ALA 171 Cb -0.09 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1ukr s ALA 171 CO 0.03 -0.37 0.38 -2.67 0.00 0.00 0.00 175.76 173.14 1ukr n TRP 172 N 0.93 0.00 -3.52 0.00 2.14 -0.52 -1.38 117.44 115.08 1ukr n TRP 172 Ca -0.19 -0.06 -0.08 0.00 2.07 0.00 0.00 57.50 59.24 1ukr n TRP 172 Cb 0.57 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 31.04 1ukr n TRP 172 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1ukr s SER 173 N -0.11 -0.37 0.07 -0.67 1.04 -1.25 -3.45 113.70 108.95 1ukr s SER 173 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1ukr s SER 173 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1ukr s SER 173 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1ukr n GLY 174 N -0.29 -2.04 3.29 7.32 0.00 -1.22 -2.59 105.19 109.66 1ukr n GLY 174 Ca -0.10 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 1ukr n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukr s ALA 175 N -1.08 1.65 0.00 4.61 0.00 -1.26 -1.86 121.76 123.82 1ukr s ALA 175 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.31 1ukr s ALA 175 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1ukr s ALA 175 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1ukr n GLY 176 N -0.32 -1.16 3.33 0.00 0.00 -1.10 -4.52 105.19 101.43 1ukr n GLY 176 Ca -0.07 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1ukr n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ukr s SER 177 N -4.00 -0.17 -0.10 1.61 1.04 -0.59 -0.92 113.70 110.58 1ukr s SER 177 Ca 0.00 -0.43 -0.20 0.00 0.48 0.00 0.00 55.95 55.79 1ukr s SER 177 Cb 0.00 0.47 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1ukr s SER 177 CO 0.00 -0.87 0.49 0.00 0.98 0.00 0.00 173.24 173.84 1ukr s ALA 178 N -3.84 -1.25 -0.15 5.32 0.00 0.10 -0.72 121.76 121.22 1ukr s ALA 178 Ca 0.05 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 1ukr s ALA 178 Cb 0.02 -0.32 0.08 0.00 0.00 0.00 0.00 23.12 22.90 1ukr s ALA 178 CO -0.09 -0.28 0.26 0.45 0.00 0.00 0.00 175.76 176.10 1ukr s SER 179 N -0.64 0.55 0.04 0.00 0.15 -0.38 -0.78 113.70 112.64 1ukr s SER 179 Ca -0.07 0.40 0.08 0.00 0.70 0.00 0.00 55.95 57.06 1ukr s SER 179 Cb -0.03 0.67 -0.03 0.00 -1.71 0.00 0.00 66.02 64.92 1ukr s SER 179 CO 0.04 -0.26 -0.22 -0.69 1.20 0.00 0.00 173.24 173.31 1ukr s VAL 180 N 2.41 1.80 -0.06 4.45 1.01 -0.20 -0.82 120.40 128.99 1ukr s VAL 180 Ca 0.03 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1ukr s VAL 180 Cb -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1ukr s VAL 180 CO -0.10 0.27 -0.16 -0.89 0.00 0.00 0.00 175.10 174.22 1ukr s THR 181 N -0.78 1.40 -0.21 3.92 2.01 0.13 -1.60 115.64 120.51 1ukr s THR 181 Ca 0.09 -0.67 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1ukr s THR 181 Cb -0.09 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1ukr s THR 181 CO 0.02 0.41 0.01 -0.63 -0.69 0.00 0.00 174.62 173.73 1ukr s ILE 182 N 0.27 3.97 -2.82 1.82 1.01 0.20 -1.10 121.20 124.55 1ukr s ILE 182 Ca -0.09 -0.30 0.25 0.00 0.00 0.00 0.00 60.65 60.51 1ukr s ILE 182 Cb -0.14 -2.81 0.32 0.00 0.01 0.00 0.00 42.46 39.85 1ukr s ILE 182 CO 0.03 0.41 1.44 -1.20 0.00 0.00 0.00 174.94 175.62