#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 0.26 -0.98 -0.61 2.08 -1.26 -4.88 119.36 113.97 1ukr n ILE 4 Ca 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.27 1ukr n ILE 4 Cb 0.00 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.07 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 4.93 0.39 -3.80 4.38 6.94 -0.53 -4.91 115.26 122.66 1ukr n ASN 5 Ca 0.19 -1.36 -0.13 0.00 -0.02 0.00 0.00 54.58 53.26 1ukr n ASN 5 Cb 0.32 -0.04 -0.14 0.00 -2.36 0.00 0.00 39.78 37.56 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 -0.25 -0.12 -0.18 -2.53 5.04 -0.79 -4.67 117.35 113.85 1ukr s TYR 6 Ca 0.01 0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 54.96 1ukr s TYR 6 Cb 0.01 -0.03 -0.00 0.00 0.35 0.00 0.00 41.96 42.29 1ukr s TYR 6 CO 0.00 -0.10 -0.11 0.08 -1.34 0.00 0.00 175.55 174.08 1ukr s VAL 7 N 0.54 2.91 -0.23 3.14 1.01 -1.26 -1.35 120.40 125.15 1ukr s VAL 7 Ca -0.04 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 1ukr s VAL 7 Cb -0.06 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1ukr s VAL 7 CO -0.02 0.49 0.39 -1.58 0.00 0.00 0.00 175.10 174.37 1ukr s GLN 8 N 1.04 4.11 -0.22 2.72 2.00 0.07 -4.98 119.66 124.40 1ukr s GLN 8 Ca -0.01 0.14 -0.04 0.00 -2.00 0.00 0.00 55.36 53.45 1ukr s GLN 8 Cb -0.15 -3.58 0.09 0.00 0.80 0.00 0.00 33.01 30.17 1ukr s GLN 8 CO -0.02 -0.13 0.16 1.21 -0.50 0.00 0.00 175.29 176.01 1ukr s ASN 9 N 1.27 2.23 -0.21 6.67 3.84 -1.26 -1.71 114.94 125.77 1ukr s ASN 9 Ca 0.17 -0.65 -0.01 0.00 0.21 0.00 0.00 52.86 52.58 1ukr s ASN 9 Cb -0.15 0.01 0.06 0.00 -0.55 0.00 0.00 41.25 40.62 1ukr s ASN 9 CO 0.08 -0.37 -0.00 -0.47 -2.79 0.00 0.00 177.10 173.55 1ukr s TYR 10 N 2.21 1.59 -1.43 0.43 5.04 -0.49 -4.68 117.35 120.03 1ukr s TYR 10 Ca 0.06 -1.22 -0.13 0.00 -2.44 0.00 0.00 57.07 53.34 1ukr s TYR 10 Cb -0.16 -1.25 0.11 0.00 0.35 0.00 0.00 41.96 41.00 1ukr s TYR 10 CO -0.19 -0.67 0.63 0.09 -1.34 0.00 0.00 175.55 174.07 1ukr n ASN 11 N 4.89 -3.59 0.31 4.32 3.02 -1.26 -1.64 115.26 121.31 1ukr n ASN 11 Ca -0.10 -0.63 0.18 0.00 -0.03 0.00 0.00 54.58 54.00 1ukr n ASN 11 Cb 0.46 -2.95 0.92 0.00 -0.61 0.00 0.00 39.78 37.60 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 -1.22 0.00 2.00 7.41 0.00 -1.87 -0.94 103.07 108.45 1ukr h GLY 12 Ca -0.49 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1ukr h GLY 12 CO 0.62 0.00 -0.13 3.45 0.00 0.00 0.00 176.54 180.48 1ukr h ASN 13 N 0.00 0.00 0.18 0.19 -1.07 -1.98 -2.62 115.58 110.27 1ukr h ASN 13 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.39 1ukr h ASN 13 Cb 0.51 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.76 1ukr h ASN 13 CO -0.00 0.13 0.00 0.18 0.07 0.00 0.00 177.43 177.81 1ukr n LEU 14 N -3.53 0.28 0.00 6.14 4.77 -0.36 -4.78 117.00 119.52 1ukr n LEU 14 Ca -0.01 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1ukr n LEU 14 Cb 0.28 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1ukr n LEU 14 CO 0.30 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 1ukr n GLY 15 N -1.00 4.59 3.10 -0.72 0.00 -0.99 -4.88 105.19 105.30 1ukr n GLY 15 Ca 0.00 -1.20 -0.35 0.00 0.00 0.00 0.00 46.02 44.48 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 1.29 5.08 -0.28 1.61 2.15 0.05 -4.94 116.67 121.63 1ukr s ASP 16 Ca 0.00 -1.98 -0.11 0.00 0.43 0.00 0.00 52.55 50.89 1ukr s ASP 16 Cb 0.00 -1.76 -0.05 0.00 -0.30 0.00 0.00 42.92 40.81 1ukr s ASP 16 CO 0.00 -0.47 0.20 0.12 -0.17 0.00 0.00 175.17 174.85 1ukr s PHE 17 N 1.09 3.23 0.06 -5.34 5.36 -1.26 -2.02 117.98 119.09 1ukr s PHE 17 Ca 0.07 0.14 0.07 0.00 -0.96 0.00 0.00 56.93 56.26 1ukr s PHE 17 Cb -0.21 -2.38 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 1ukr s PHE 17 CO -0.05 -0.14 -0.21 0.99 -1.46 0.00 0.00 175.22 174.35 1ukr s THR 18 N 1.71 1.66 0.17 0.12 2.01 -0.68 -5.00 115.64 115.63 1ukr s THR 18 Ca 0.07 -1.26 -0.20 0.00 0.31 0.00 0.00 61.69 60.61 1ukr s THR 18 Cb -0.16 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 70.94 1ukr s THR 18 CO 0.10 0.15 0.55 -0.72 -0.69 0.00 0.00 174.62 174.01 1ukr s TYR 19 N -0.88 -0.32 -0.25 4.92 1.13 -1.26 -0.99 117.35 119.71 1ukr s TYR 19 Ca 0.07 0.02 -0.02 0.00 -1.41 0.00 0.00 57.07 55.73 1ukr s TYR 19 Cb -0.09 0.46 0.12 0.00 -1.10 0.00 0.00 41.96 41.35 1ukr s TYR 19 CO 0.02 -0.87 0.30 0.34 -2.51 0.00 0.00 175.55 172.83 1ukr s ASP 20 N -2.81 1.11 0.40 -0.18 -1.08 -0.63 -4.99 116.67 108.49 1ukr s ASP 20 Ca 0.05 -0.29 0.16 0.00 -0.52 0.00 0.00 52.55 51.95 1ukr s ASP 20 Cb -0.01 0.67 0.86 0.00 -1.46 0.00 0.00 42.92 42.98 1ukr s ASP 20 CO -0.08 -0.34 1.86 -0.33 0.52 0.00 0.00 175.17 176.80 1ukr h GLU 21 N 8.25 0.00 -0.19 4.34 3.07 -1.96 -0.81 114.58 127.29 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 1.13 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.04 1ukr h GLU 21 CO 0.30 0.32 -0.72 0.77 -1.40 0.00 0.00 179.01 178.28 1ukr h SER 22 N 0.00 0.96 1.57 1.42 0.02 -1.95 -3.05 113.55 112.52 1ukr h SER 22 Ca -0.00 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1ukr h SER 22 Cb 0.62 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ukr h SER 22 CO 0.04 1.40 -0.05 0.00 -1.14 0.00 0.00 176.83 177.08 1ukr h ALA 23 N 0.59 0.97 -1.85 3.77 0.00 -1.95 -3.48 119.26 117.31 1ukr h ALA 23 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 1ukr h ALA 23 Cb 1.34 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1ukr h ALA 23 CO 0.15 0.00 -0.26 0.41 0.00 0.00 0.00 179.25 179.55 1ukr n GLY 24 N 1.26 0.08 3.35 0.00 0.00 -0.37 -4.76 105.19 104.74 1ukr n GLY 24 Ca 0.05 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.66 1.91 0.17 2.61 -4.23 -0.84 -0.60 115.64 112.00 1ukr s THR 25 Ca 0.08 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.39 1ukr s THR 25 Cb -0.03 -1.92 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1ukr s THR 25 CO 0.09 -0.32 0.59 0.72 -0.54 0.00 0.00 174.62 175.17 1ukr s PHE 26 N -2.09 -0.47 0.05 3.99 -0.12 -0.63 -1.61 117.98 117.10 1ukr s PHE 26 Ca 0.18 0.23 -0.07 0.00 -0.05 0.00 0.00 56.93 57.21 1ukr s PHE 26 Cb -0.06 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1ukr s PHE 26 CO 0.07 -0.87 0.15 -1.54 -0.05 0.00 0.00 175.22 172.98 1ukr s SER 27 N -2.77 0.13 -0.06 1.98 1.04 -0.16 -0.97 113.70 112.89 1ukr s SER 27 Ca 0.02 -0.53 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 1ukr s SER 27 Cb -0.01 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.42 1ukr s SER 27 CO -0.11 -0.59 0.11 -0.32 0.98 0.00 0.00 173.24 173.32 1ukr s MET 28 N -2.99 -0.01 -0.16 4.02 0.00 0.02 -1.69 119.30 118.50 1ukr s MET 28 Ca -0.02 0.45 -0.02 0.00 0.00 0.00 0.00 55.69 56.11 1ukr s MET 28 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 34.83 34.48 1ukr s MET 28 CO -0.06 -0.29 -0.09 0.71 0.00 0.00 0.00 175.02 175.28 1ukr s TYR 29 N 2.06 2.89 -0.28 4.11 2.02 -0.86 -0.74 117.35 126.56 1ukr s TYR 29 Ca 0.02 -0.65 0.20 0.00 -0.37 0.00 0.00 57.07 56.26 1ukr s TYR 29 Cb -0.12 -1.93 0.49 0.00 -0.40 0.00 0.00 41.96 40.00 1ukr s TYR 29 CO -0.05 -0.26 1.08 -2.67 -1.57 0.00 0.00 175.55 172.09 1ukr n TRP 30 N 3.83 1.43 0.20 2.71 2.14 -0.09 -0.77 117.44 126.88 1ukr n TRP 30 Ca -0.18 -2.32 0.04 0.00 2.07 0.00 0.00 57.50 57.12 1ukr n TRP 30 Cb 0.52 -0.27 0.19 0.00 -0.81 0.00 0.00 31.31 30.95 1ukr n TRP 30 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1ukr n GLU 31 N -0.49 0.03 0.00 -2.67 1.02 -1.00 -1.10 120.64 116.42 1ukr n GLU 31 Ca 0.12 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 1ukr n GLU 31 Cb 0.82 -1.58 0.19 0.00 -0.02 0.00 0.00 31.44 30.85 1ukr n GLU 31 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ukr n ASP 32 N -1.63 1.50 0.00 1.62 8.00 -1.26 -4.74 116.55 120.03 1ukr n ASP 32 Ca 0.01 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1ukr n ASP 32 Cb 0.07 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 1.38 1.46 3.00 0.44 0.00 -0.26 -4.96 105.19 106.24 1ukr n GLY 33 Ca 0.11 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.99 0.12 -0.04 1.61 1.01 -0.81 -4.95 120.40 114.36 1ukr s VAL 34 Ca 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 61.98 61.09 1ukr s VAL 34 Cb 0.00 -0.41 0.21 0.00 0.00 0.00 0.00 36.38 36.18 1ukr s VAL 34 CO 0.00 -0.55 1.09 -1.54 0.00 0.00 0.00 175.10 174.10 1ukr n SER 35 N 1.43 0.79 -3.84 3.32 3.41 -1.26 -3.41 113.62 114.05 1ukr n SER 35 Ca -0.23 -2.33 -0.09 0.00 -0.26 0.00 0.00 58.87 55.97 1ukr n SER 35 Cb 0.56 -0.29 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.10 0.16 4.04 0.15 -1.22 -4.92 113.70 110.23 1ukr s SER 36 Ca 0.18 -0.63 -0.30 0.00 0.70 0.00 0.00 55.95 55.90 1ukr s SER 36 Cb 0.19 0.35 -0.07 0.00 -1.71 0.00 0.00 66.02 64.77 1ukr s SER 36 CO -0.05 -0.73 1.18 -0.62 1.20 0.00 0.00 173.24 174.21 1ukr s ASP 37 N -2.85 7.12 0.10 5.45 2.15 -1.26 -4.35 116.67 123.03 1ukr s ASP 37 Ca 0.05 2.16 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 -0.11 -0.36 -0.15 0.72 -0.17 0.00 0.00 175.17 175.10 1ukr s PHE 38 N 0.14 1.37 -0.10 -5.34 -0.12 -0.49 -4.66 117.98 108.78 1ukr s PHE 38 Ca 0.53 -0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 56.89 1ukr s PHE 38 Cb -0.31 -0.74 0.04 0.00 -0.63 0.00 0.00 43.02 41.37 1ukr s PHE 38 CO 0.35 0.11 0.05 0.08 -0.05 0.00 0.00 175.22 175.76 1ukr s VAL 39 N -1.65 0.14 0.12 -2.49 1.01 -0.65 -2.41 120.40 114.46 1ukr s VAL 39 Ca 0.04 0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1ukr s VAL 39 Cb -0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1ukr s VAL 39 CO 0.03 0.04 -0.15 0.68 0.00 0.00 0.00 175.10 175.69 1ukr s VAL 40 N 2.06 1.39 -3.16 2.92 -7.23 -0.60 -1.40 120.40 114.37 1ukr s VAL 40 Ca 0.03 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1ukr s VAL 40 Cb -0.14 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.31 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 0.69 -1.72 3.22 2.32 0.00 -0.69 -1.16 105.19 107.85 1ukr n GLY 41 Ca -0.17 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 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 2.28 0.00 0.99 1.43 -1.06 -0.75 118.68 121.57 1ukr s LEU 42 Ca 0.00 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1ukr s LEU 42 Cb 0.00 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.53 1ukr s LEU 42 CO 0.00 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1ukr n GLY 43 N 1.21 -1.07 3.09 -3.19 0.00 -0.46 -1.58 105.19 103.19 1ukr n GLY 43 Ca -0.20 0.06 -0.19 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 1.06 0.36 1.61 0.51 -0.20 -1.45 118.94 116.83 1ukr s TRP 44 Ca 0.00 -0.28 0.22 0.00 -2.12 0.00 0.00 56.10 53.92 1ukr s TRP 44 Cb 0.00 -0.65 1.13 0.00 -0.81 0.00 0.00 33.47 33.14 1ukr s TRP 44 CO 0.00 0.00 1.96 1.79 -0.51 0.00 0.00 176.95 180.19 1ukr h THR 45 N 4.68 0.79 -3.22 2.01 1.35 -1.86 -1.70 112.91 114.97 1ukr h THR 45 Ca -0.35 -0.84 -0.56 0.00 -0.55 0.00 0.00 66.41 64.11 1ukr h THR 45 Cb 1.18 1.51 -0.36 0.00 -1.73 0.00 0.00 68.15 68.75 1ukr h THR 45 CO 0.46 0.21 -0.82 -0.89 -0.25 0.00 0.00 175.52 174.23 1ukr s THR 46 N -4.13 1.29 0.91 6.82 2.01 -1.26 -2.74 115.64 118.54 1ukr s THR 46 Ca -0.02 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 1ukr s THR 46 Cb 0.13 -1.23 0.14 0.00 0.01 0.00 0.00 72.50 71.55 1ukr s THR 46 CO 0.64 0.41 1.11 -0.83 -0.69 0.00 0.00 174.62 175.26 1ukr s GLY 47 N 1.34 1.59 0.35 4.40 0.00 0.29 -4.77 107.32 110.51 1ukr s GLY 47 Ca -0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 44.72 44.20 1ukr s GLY 47 CO -0.06 0.16 0.68 -1.35 0.00 0.00 0.00 173.10 172.54 1ukr s SER 48 N -3.81 0.13 -0.02 1.64 1.04 -1.26 -4.79 113.70 106.63 1ukr s SER 48 Ca 0.63 -1.10 0.15 0.00 0.48 0.00 0.00 55.95 56.11 1ukr s SER 48 Cb -0.16 0.77 0.47 0.00 0.10 0.00 0.00 66.02 67.20 1ukr s SER 48 CO 0.55 -1.50 1.37 -1.54 0.98 0.00 0.00 173.24 173.10 1ukr n SER 49 N -1.15 2.96 -4.75 7.02 3.41 -1.26 -4.94 113.62 114.91 1ukr n SER 49 Ca -0.05 -2.10 -0.36 0.00 -0.26 0.00 0.00 58.87 56.10 1ukr n SER 49 Cb 0.60 -0.38 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.93 5.20 0.47 4.04 0.02 -1.26 -2.87 114.94 119.61 1ukr s ASN 50 Ca 0.35 2.40 -0.23 0.00 -1.02 0.00 0.00 52.86 54.36 1ukr s ASN 50 Cb 0.19 -2.60 -0.07 0.00 0.02 0.00 0.00 41.25 38.79 1ukr s ASN 50 CO 0.21 -1.59 1.25 0.00 0.02 0.00 0.00 177.10 177.00 1ukr s ALA 51 N -1.58 3.01 -0.09 0.60 0.00 -1.26 -4.40 121.76 118.03 1ukr s ALA 51 Ca 0.77 1.12 0.04 0.00 0.00 0.00 0.00 51.96 53.89 1ukr s ALA 51 Cb -0.31 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 1ukr s ALA 51 CO 0.34 -0.89 -0.24 0.42 0.00 0.00 0.00 175.76 175.39 1ukr s ILE 52 N -1.40 2.05 -0.11 0.00 1.01 -0.58 -4.96 121.20 117.21 1ukr s ILE 52 Ca 0.64 -1.02 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1ukr s ILE 52 Cb -0.34 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1ukr s ILE 52 CO 0.42 0.56 -0.15 -0.89 0.00 0.00 0.00 174.94 174.88 1ukr s THR 53 N 0.27 2.88 0.15 2.92 2.01 -1.26 -0.83 115.64 121.79 1ukr s THR 53 Ca -0.17 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 1ukr s THR 53 Cb -0.17 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1ukr s THR 53 CO 0.08 0.54 0.15 -0.72 -0.69 0.00 0.00 174.62 173.98 1ukr s TYR 54 N 0.12 0.73 -0.06 4.92 1.13 -0.65 -1.06 117.35 122.47 1ukr s TYR 54 Ca -0.07 -1.09 -0.04 0.00 -1.41 0.00 0.00 57.07 54.46 1ukr s TYR 54 Cb -0.15 -0.33 0.03 0.00 -1.10 0.00 0.00 41.96 40.40 1ukr s TYR 54 CO 0.05 -0.61 0.15 0.45 -2.51 0.00 0.00 175.55 173.08 1ukr s SER 55 N -3.03 -0.13 0.01 -0.18 0.15 -0.28 -1.82 113.70 108.41 1ukr s SER 55 Ca 0.23 0.30 -0.09 0.00 0.70 0.00 0.00 55.95 57.10 1ukr s SER 55 Cb 0.06 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1ukr s SER 55 CO 0.03 -0.11 0.18 0.00 1.20 0.00 0.00 173.24 174.53 1ukr s ALA 56 N 0.73 -0.41 -0.22 5.45 0.00 0.78 -0.77 121.76 127.32 1ukr s ALA 56 Ca -0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 1ukr s ALA 56 Cb -0.07 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1ukr s ALA 56 CO -0.04 -0.24 0.16 -1.21 0.00 0.00 0.00 175.76 174.43 1ukr s GLU 57 N -1.58 4.13 -0.12 0.00 0.41 0.18 -4.68 118.70 117.04 1ukr s GLU 57 Ca -0.13 -0.22 -0.05 0.00 -0.41 0.00 0.00 54.97 54.16 1ukr s GLU 57 Cb -0.06 -3.49 0.05 0.00 -1.78 0.00 0.00 34.13 28.85 1ukr s GLU 57 CO 0.01 0.16 0.26 -0.47 -0.49 0.00 0.00 175.26 174.72 1ukr s TYR 58 N 0.78 -0.37 -0.20 1.61 5.04 -1.26 -1.28 117.35 121.66 1ukr s TYR 58 Ca 0.08 0.88 -0.03 0.00 -2.44 0.00 0.00 57.07 55.56 1ukr s TYR 58 Cb -0.13 0.01 0.06 0.00 0.35 0.00 0.00 41.96 42.26 1ukr s TYR 58 CO 0.02 -0.29 0.05 0.45 -1.34 0.00 0.00 175.55 174.44 1ukr s SER 59 N 1.76 2.95 -0.32 4.32 0.15 0.18 -5.00 113.70 117.74 1ukr s SER 59 Ca -0.05 -0.87 0.17 0.00 0.70 0.00 0.00 55.95 55.90 1ukr s SER 59 Cb -0.11 -0.56 0.45 0.00 -1.71 0.00 0.00 66.02 64.10 1ukr s SER 59 CO -0.09 -0.33 1.16 0.00 1.20 0.00 0.00 173.24 175.19 1ukr n ALA 60 N 5.07 2.70 -2.25 5.45 0.00 -1.26 -1.63 120.51 128.60 1ukr n ALA 60 Ca -0.08 -2.38 -0.43 0.00 0.00 0.00 0.00 53.44 50.56 1ukr n ALA 60 Cb 0.47 -0.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 1ukr n ALA 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ukr s SER 61 N -2.68 6.65 0.00 0.00 0.15 -1.26 -1.98 113.70 114.58 1ukr s SER 61 Ca 0.24 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.55 1ukr s SER 61 Cb 0.41 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1ukr s SER 61 CO -0.03 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.00 1ukr n GLY 62 N 4.19 0.54 3.22 9.45 0.00 -1.26 -4.76 105.19 116.58 1ukr n GLY 62 Ca 0.16 -0.50 -0.28 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 -2.46 2.53 -0.86 1.61 0.15 -0.84 -4.46 113.70 109.39 1ukr s SER 63 Ca 0.00 -0.40 -0.23 0.00 0.70 0.00 0.00 55.95 56.02 1ukr s SER 63 Cb 0.00 -0.41 0.06 0.00 -1.71 0.00 0.00 66.02 63.96 1ukr s SER 63 CO 0.00 0.24 1.25 0.00 1.20 0.00 0.00 173.24 175.93 1ukr s ALA 64 N -0.37 2.92 0.08 5.45 0.00 -1.10 -1.13 121.76 127.60 1ukr s ALA 64 Ca 0.05 -2.02 -0.08 0.00 0.00 0.00 0.00 51.96 49.91 1ukr s ALA 64 Cb -0.10 -4.24 -0.01 0.00 0.00 0.00 0.00 23.12 18.78 1ukr s ALA 64 CO 0.00 -3.25 0.16 0.45 0.00 0.00 0.00 175.76 173.12 1ukr s SER 65 N 4.14 0.15 0.02 0.00 0.15 -1.26 -1.42 113.70 115.49 1ukr s SER 65 Ca 0.36 -0.65 0.02 0.00 0.70 0.00 0.00 55.95 56.37 1ukr s SER 65 Cb -0.06 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.55 1ukr s SER 65 CO 0.01 -0.69 -0.06 -0.31 1.20 0.00 0.00 173.24 173.39 1ukr s TYR 66 N -3.67 0.55 -0.30 3.44 2.02 -0.31 -1.46 117.35 117.62 1ukr s TYR 66 Ca 0.04 -0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 1ukr s TYR 66 Cb 0.04 -0.34 0.02 0.00 -0.40 0.00 0.00 41.96 41.28 1ukr s TYR 66 CO -0.10 -0.05 0.07 -1.17 -1.57 0.00 0.00 175.55 172.73 1ukr s LEU 67 N -0.90 3.89 0.05 -1.29 2.96 -0.41 -1.91 118.68 121.08 1ukr s LEU 67 Ca -0.05 -0.81 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 1ukr s LEU 67 Cb -0.06 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1ukr s LEU 67 CO 0.00 -0.21 0.24 0.00 -1.32 0.00 0.00 176.35 175.06 1ukr s ALA 68 N 1.46 -0.49 -0.04 5.97 0.00 -0.54 -1.53 121.76 126.59 1ukr s ALA 68 Ca 0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 1ukr s ALA 68 Cb -0.18 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 1ukr s ALA 68 CO 0.02 -0.42 0.67 0.08 0.00 0.00 0.00 175.76 176.11 1ukr s VAL 69 N -2.84 4.99 0.02 0.00 1.01 -0.51 -0.80 120.40 122.28 1ukr s VAL 69 Ca -0.03 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.34 1ukr s VAL 69 Cb 0.00 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1ukr s VAL 69 CO -0.05 0.31 -0.04 -0.47 0.00 0.00 0.00 175.10 174.84 1ukr s TYR 70 N 0.48 0.38 -0.04 5.22 5.04 -0.06 -0.91 117.35 127.46 1ukr s TYR 70 Ca 0.35 -0.39 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 1ukr s TYR 70 Cb -0.18 -0.24 0.04 0.00 0.35 0.00 0.00 41.96 41.93 1ukr s TYR 70 CO 0.18 -0.11 0.59 0.41 -1.34 0.00 0.00 175.55 175.28 1ukr n GLY 71 N 1.93 0.30 3.06 8.97 0.00 -1.04 -0.72 105.19 117.69 1ukr n GLY 71 Ca -0.21 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.15 0.50 -0.07 1.61 0.52 -0.94 -1.59 118.94 116.81 1ukr s TRP 72 Ca 0.14 -0.79 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 -0.25 -0.24 0.08 0.02 0.00 0.00 176.95 176.55 1ukr s VAL 73 N -2.72 2.12 0.01 4.03 1.01 0.37 -0.84 120.40 124.38 1ukr s VAL 73 Ca -0.02 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 60.67 1ukr s VAL 73 Cb -0.01 -1.78 -0.16 0.00 0.00 0.00 0.00 36.38 34.43 1ukr s VAL 73 CO -0.05 0.57 1.24 0.78 0.00 0.00 0.00 175.10 177.64 1ukr h ASN 74 N 6.26 -0.42 -3.51 3.32 2.35 -1.28 -2.28 115.58 120.01 1ukr h ASN 74 Ca -0.28 -0.13 -0.23 0.00 -0.55 0.00 0.00 56.30 55.10 1ukr h ASN 74 Cb 1.20 0.11 -0.30 0.00 0.05 0.00 0.00 38.32 39.37 1ukr h ASN 74 CO 0.47 -0.07 -0.59 -0.47 -1.65 0.00 0.00 177.43 175.13 1ukr s TYR 75 N -4.75 -0.16 0.30 1.19 5.04 -1.26 -3.04 117.35 114.66 1ukr s TYR 75 Ca -0.14 0.46 -0.30 0.00 -2.44 0.00 0.00 57.07 54.64 1ukr s TYR 75 Cb 0.02 -0.05 -0.12 0.00 0.35 0.00 0.00 41.96 42.16 1ukr s TYR 75 CO 0.53 -0.14 1.52 -2.30 -1.34 0.00 0.00 175.55 173.82 1ukr n PRO 76 N 3.91 2.51 -1.98 4.97 -0.02 -1.26 -4.83 135.00 138.30 1ukr n PRO 76 Ca -0.23 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.72 1ukr n PRO 76 Cb 0.53 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.77 4.18 -0.04 -0.52 0.74 -1.17 -4.71 119.66 117.37 1ukr s GLN 77 Ca 0.63 2.23 -0.04 0.00 0.05 0.00 0.00 55.36 58.23 1ukr s GLN 77 Cb -0.53 -3.93 0.01 0.00 1.10 0.00 0.00 33.01 29.65 1ukr s GLN 77 CO 0.52 -0.83 0.11 0.00 -0.55 0.00 0.00 175.29 174.53 1ukr s ALA 78 N 3.83 -0.27 -0.15 1.58 0.00 -0.86 -2.26 121.76 123.63 1ukr s ALA 78 Ca 0.74 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 1ukr s ALA 78 Cb -0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1ukr s ALA 78 CO 0.31 -0.05 0.11 -2.00 0.00 0.00 0.00 175.76 174.13 1ukr s GLU 79 N 0.06 3.75 0.05 0.00 2.12 -0.22 -0.48 118.70 123.98 1ukr s GLU 79 Ca -0.00 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.13 1ukr s GLU 79 Cb -0.01 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1ukr s GLU 79 CO 0.00 0.52 -0.08 1.52 -0.54 0.00 0.00 175.26 176.68 1ukr s TYR 80 N -0.30 0.71 -0.00 5.30 -0.85 -0.62 -1.83 117.35 119.76 1ukr s TYR 80 Ca 0.10 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 56.12 1ukr s TYR 80 Cb -0.12 -0.42 -0.01 0.00 0.38 0.00 0.00 41.96 41.79 1ukr s TYR 80 CO 0.01 -0.09 -0.06 0.71 -1.52 0.00 0.00 175.55 174.60 1ukr s TYR 81 N -1.67 0.53 -0.36 -3.49 1.51 -0.36 -2.51 117.35 111.01 1ukr s TYR 81 Ca -0.07 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1ukr s TYR 81 Cb -0.08 -0.34 0.10 0.00 -0.11 0.00 0.00 41.96 41.53 1ukr s TYR 81 CO -0.00 -0.01 0.08 0.42 -1.11 0.00 0.00 175.55 174.92 1ukr s ILE 82 N -0.19 2.34 -0.42 2.71 1.01 -0.08 -1.73 121.20 124.83 1ukr s ILE 82 Ca 0.02 -2.46 -0.25 0.00 0.00 0.00 0.00 60.65 57.95 1ukr s ILE 82 Cb -0.03 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.75 1ukr s ILE 82 CO -0.00 -0.63 0.90 -0.69 0.00 0.00 0.00 174.94 174.53 1ukr s VAL 83 N 0.76 4.55 -0.00 2.92 1.01 0.43 -1.42 120.40 128.65 1ukr s VAL 83 Ca 0.12 0.91 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 1ukr s VAL 83 Cb -0.20 -4.37 -0.28 0.00 0.00 0.00 0.00 36.38 31.54 1ukr s VAL 83 CO -0.07 -0.67 0.83 -0.33 0.00 0.00 0.00 175.10 174.85 1ukr h GLU 84 N 8.78 0.26 -3.49 2.72 4.39 -1.57 -0.91 114.58 124.76 1ukr h GLU 84 Ca -0.24 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 58.95 1ukr h GLU 84 Cb 1.08 0.17 -0.13 0.00 -0.10 0.00 0.00 28.75 29.77 1ukr h GLU 84 CO 0.99 1.13 -0.12 0.34 -1.16 0.00 0.00 179.01 180.19 1ukr s ASP 85 N -7.00 -0.16 0.29 1.42 -1.08 -1.19 -2.01 116.67 106.94 1ukr s ASP 85 Ca -0.10 -0.44 -0.20 0.00 -0.52 0.00 0.00 52.55 51.29 1ukr s ASP 85 Cb 0.07 0.46 0.04 0.00 -1.46 0.00 0.00 42.92 42.03 1ukr s ASP 85 CO 0.85 -0.87 0.80 -0.72 0.52 0.00 0.00 175.17 175.76 1ukr s TYR 86 N -3.84 -0.06 0.00 -5.34 1.13 -1.26 -1.29 117.35 106.69 1ukr s TYR 86 Ca 0.05 -0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.27 1ukr s TYR 86 Cb 0.02 0.74 0.00 0.00 -1.10 0.00 0.00 41.96 41.62 1ukr s TYR 86 CO -0.09 -1.26 0.00 0.41 -2.51 0.00 0.00 175.55 172.09 1ukr n GLY 87 N -0.50 0.54 0.68 5.49 0.00 -0.53 -4.92 105.19 105.95 1ukr n GLY 87 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1ukr n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ukr n ASP 88 N 0.00 2.17 -4.17 1.61 9.92 -0.28 -4.84 116.55 120.96 1ukr n ASP 88 Ca 0.00 -1.69 -0.32 0.00 -0.53 0.00 0.00 54.79 52.25 1ukr n ASP 88 Cb 0.00 0.04 -0.17 0.00 -0.64 0.00 0.00 41.12 40.35 1ukr n ASP 88 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 1ukr s TYR 89 N -2.06 2.61 -0.31 1.24 5.04 -1.26 -5.00 117.35 117.61 1ukr s TYR 89 Ca 0.32 -1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 53.58 1ukr s TYR 89 Cb 0.20 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.74 1ukr s TYR 89 CO 0.34 -0.58 0.12 1.21 -1.34 0.00 0.00 175.55 175.31 1ukr s ASN 90 N 0.76 5.36 0.49 4.32 3.84 -1.26 -4.84 114.94 123.62 1ukr s ASN 90 Ca -0.09 -0.64 0.16 0.00 0.21 0.00 0.00 52.86 52.51 1ukr s ASN 90 Cb -0.16 -1.95 1.18 0.00 -0.55 0.00 0.00 41.25 39.78 1ukr s ASN 90 CO -0.01 -0.20 2.08 1.55 -2.79 0.00 0.00 177.10 177.73 1ukr h PRO 91 N 8.30 0.00 0.00 0.43 0.13 -2.00 -2.48 132.00 136.38 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 0.61 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 1ukr h SER 93 N 0.00 0.43 0.00 0.00 4.64 -1.88 -3.07 113.55 113.68 1ukr h SER 93 Ca 0.00 -0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.21 1ukr h SER 93 Cb 0.60 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1ukr h SER 93 CO 0.00 0.33 -2.07 -1.20 -0.87 0.00 0.00 176.83 173.02 1ukr n SER 94 N -4.46 0.11 -4.86 4.97 7.64 -1.14 -5.04 113.62 110.85 1ukr n SER 94 Ca 0.02 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.68 1ukr n SER 94 Cb 0.08 1.73 0.07 0.00 -1.01 0.00 0.00 64.21 65.08 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 -3.23 3.74 -0.20 -0.43 0.00 -1.08 -5.03 121.76 115.53 1ukr s ALA 95 Ca -0.08 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.15 1ukr s ALA 95 Cb 0.12 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 1ukr s ALA 95 CO 0.87 -1.08 1.50 0.99 0.00 0.00 0.00 175.76 178.04 1ukr s THR 96 N -2.96 3.86 0.37 0.00 2.01 -0.62 -4.83 115.64 113.47 1ukr s THR 96 Ca 0.61 0.99 -0.27 0.00 0.31 0.00 0.00 61.69 63.33 1ukr s THR 96 Cb -0.08 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 1ukr s THR 96 CO 0.41 -0.27 1.20 -0.55 -0.69 0.00 0.00 174.62 174.72 1ukr s SER 97 N 3.48 6.65 0.00 3.53 0.15 -1.26 -0.73 113.70 125.52 1ukr s SER 97 Ca 0.66 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.75 1ukr s SER 97 Cb -0.24 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1ukr s SER 97 CO 0.26 -0.60 0.00 -0.11 1.20 0.00 0.00 173.24 173.99 1ukr n LEU 98 N 0.37 0.00 0.00 3.45 7.94 -0.17 -4.89 117.00 123.70 1ukr n LEU 98 Ca 0.03 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 1ukr n LEU 98 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1ukr n LEU 98 CO 0.53 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.42 1ukr n GLY 99 N 2.13 0.66 2.99 -3.96 0.00 -1.18 -4.98 105.19 100.86 1ukr n GLY 99 Ca 0.00 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.23 0.04 0.08 2.61 2.01 -1.26 -1.68 115.64 114.20 1ukr s THR 100 Ca 0.00 -0.31 0.07 0.00 0.31 0.00 0.00 61.69 61.76 1ukr s THR 100 Cb 0.00 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.27 1ukr s THR 100 CO 0.00 -0.17 -0.19 0.54 -0.69 0.00 0.00 174.62 174.11 1ukr s VAL 101 N -0.53 1.55 -0.12 3.82 0.11 -0.88 -4.96 120.40 119.40 1ukr s VAL 101 Ca -0.06 -1.36 -0.00 0.00 -2.93 0.00 0.00 61.98 57.63 1ukr s VAL 101 Cb -0.04 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.39 1ukr s VAL 101 CO 0.00 -0.00 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.19 1ukr s TYR 102 N -1.04 2.84 -0.20 1.54 5.04 -1.26 -0.70 117.35 123.56 1ukr s TYR 102 Ca 0.05 -0.45 -0.28 0.00 -2.44 0.00 0.00 57.07 53.95 1ukr s TYR 102 Cb -0.09 -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 0.86 0.45 -1.34 0.00 0.00 175.55 175.48 1ukr s SER 103 N 0.08 -0.56 -1.69 4.32 0.15 -0.13 -4.98 113.70 110.88 1ukr s SER 103 Ca -0.04 0.88 -0.15 0.00 0.70 0.00 0.00 55.95 57.34 1ukr s SER 103 Cb -0.14 0.83 0.14 0.00 -1.71 0.00 0.00 66.02 65.13 1ukr s SER 103 CO 0.04 -0.32 0.56 0.47 1.20 0.00 0.00 173.24 175.19 1ukr n ASP 104 N 1.71 -1.80 0.00 5.45 8.00 -1.26 -1.68 116.55 126.98 1ukr n ASP 104 Ca -0.14 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1ukr n ASP 104 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.38 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 -1.57 0.82 3.60 0.44 0.00 -1.26 -4.97 105.19 102.25 1ukr n GLY 105 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.03 -0.42 0.25 1.61 0.15 -0.67 -5.00 113.70 107.59 1ukr s SER 106 Ca 0.00 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 1ukr s SER 106 Cb 0.00 0.65 -0.06 0.00 -1.71 0.00 0.00 66.02 64.90 1ukr s SER 106 CO 0.00 -1.12 0.53 0.42 1.20 0.00 0.00 173.24 174.27 1ukr s THR 107 N -3.83 5.00 -0.08 6.45 -4.23 -1.26 -0.96 115.64 116.73 1ukr s THR 107 Ca 0.06 0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.82 1ukr s THR 107 Cb -0.03 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1ukr s THR 107 CO -0.04 -0.18 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.39 1ukr s TYR 108 N -1.93 1.84 0.26 3.99 1.51 0.12 -0.89 117.35 122.24 1ukr s TYR 108 Ca 0.45 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 1ukr s TYR 108 Cb -0.11 -1.30 -0.09 0.00 -0.11 0.00 0.00 41.96 40.34 1ukr s TYR 108 CO 0.26 -0.35 1.27 -0.65 -1.11 0.00 0.00 175.55 174.96 1ukr s GLN 109 N 0.66 4.43 -0.08 -0.62 -0.21 -0.27 -2.07 119.66 121.50 1ukr s GLN 109 Ca -0.14 2.06 0.05 0.00 0.02 0.00 0.00 55.36 57.35 1ukr s GLN 109 Cb -0.16 -3.15 -0.01 0.00 1.00 0.00 0.00 33.01 30.69 1ukr s GLN 109 CO 0.04 -0.14 -0.23 0.08 -2.12 0.00 0.00 175.29 172.92 1ukr s VAL 110 N -0.56 2.19 0.25 1.09 1.01 -0.68 -0.43 120.40 123.27 1ukr s VAL 110 Ca 0.52 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 1ukr s VAL 110 Cb -0.37 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1ukr s VAL 110 CO 0.44 0.56 0.37 0.00 0.00 0.00 0.00 175.10 176.47 1ukr s THR 112 N -3.93 0.20 0.15 0.00 -1.32 0.09 -1.31 115.64 109.52 1ukr s THR 112 Ca 0.29 -1.63 -0.18 0.00 -1.21 0.00 0.00 61.69 58.95 1ukr s THR 112 Cb 0.02 -1.39 0.04 0.00 -1.51 0.00 0.00 72.50 69.66 1ukr s THR 112 CO 0.12 -0.90 0.49 -0.62 -2.21 0.00 0.00 174.62 171.49 1ukr s ASP 113 N -2.79 -0.34 -0.11 8.08 2.15 -0.87 -1.59 116.67 121.20 1ukr s ASP 113 Ca 0.05 -0.26 0.03 0.00 0.43 0.00 0.00 52.55 52.80 1ukr s ASP 113 Cb 0.06 0.54 0.01 0.00 -0.30 0.00 0.00 42.92 43.22 1ukr s ASP 113 CO -0.09 -0.93 -0.22 -0.89 -0.17 0.00 0.00 175.17 172.86 1ukr s THR 114 N -3.80 1.95 -0.21 1.71 2.01 -1.26 -0.66 115.64 115.38 1ukr s THR 114 Ca 0.04 -0.94 -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 70.78 1ukr s THR 114 CO -0.10 0.53 0.02 -0.13 -0.69 0.00 0.00 174.62 174.26 1ukr s ARG 115 N 0.57 3.69 -0.11 4.92 1.81 -0.34 -5.00 118.95 124.48 1ukr s ARG 115 Ca -0.14 -0.48 -0.00 0.00 -1.72 0.00 0.00 55.73 53.39 1ukr s ARG 115 Cb -0.17 -3.15 -0.02 0.00 -0.45 0.00 0.00 34.95 31.16 1ukr s ARG 115 CO 0.04 0.02 -0.09 0.95 -0.68 0.00 0.00 175.30 175.55 1ukr s THR 116 N 1.01 3.49 -1.42 0.02 -4.23 -1.26 -1.17 115.64 112.07 1ukr s THR 116 Ca 0.03 -0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.95 1ukr s THR 116 Cb -0.14 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1ukr s THR 116 CO 0.02 0.54 0.31 0.59 -0.54 0.00 0.00 174.62 175.55 1ukr n ASN 117 N 3.00 -0.67 -4.61 3.99 3.02 -0.86 -4.91 115.26 114.22 1ukr n ASN 117 Ca -0.18 -1.15 -0.25 0.00 -0.03 0.00 0.00 54.58 52.97 1ukr n ASN 117 Cb 0.53 -2.32 -0.09 0.00 -0.61 0.00 0.00 39.78 37.29 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 -6.95 2.02 0.24 3.52 2.02 -0.50 -4.67 118.70 114.37 1ukr s GLU 118 Ca 0.10 -1.79 -0.31 0.00 0.02 0.00 0.00 54.97 52.98 1ukr s GLU 118 Cb -0.05 -1.88 -0.13 0.00 0.10 0.00 0.00 34.13 32.17 1ukr s GLU 118 CO 0.94 0.13 1.56 -2.30 0.02 0.00 0.00 175.26 175.62 1ukr n PRO 119 N -0.92 2.42 -4.05 0.39 -0.02 -1.26 -1.15 135.00 130.41 1ukr n PRO 119 Ca -0.04 0.86 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 1ukr n PRO 119 Cb 0.63 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.64 0.47 0.00 2.55 1.04 -0.37 -4.89 113.70 113.15 1ukr s SER 120 Ca 0.70 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.89 1ukr s SER 120 Cb -0.58 0.63 0.18 0.00 0.10 0.00 0.00 66.02 66.35 1ukr s SER 120 CO 0.44 -1.24 0.83 2.30 0.98 0.00 0.00 173.24 176.55 1ukr n ILE 121 N -0.48 0.61 -0.13 -1.02 -5.35 -1.26 -1.30 119.36 110.43 1ukr n ILE 121 Ca -0.00 0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.63 1ukr n ILE 121 Cb 0.62 -1.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 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 -1.17 0.93 0.00 7.28 -2.24 -1.26 -5.08 114.28 112.74 1ukr n THR 122 Ca 0.02 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 1ukr n THR 122 Cb 0.02 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.48 1.49 2.89 3.38 0.00 -0.42 -4.90 105.19 107.16 1ukr n GLY 123 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 0.65 0.21 2.61 2.01 -1.26 -1.23 115.64 118.63 1ukr s THR 124 Ca 0.00 -0.14 -0.21 0.00 0.31 0.00 0.00 61.69 61.64 1ukr s THR 124 Cb 0.00 -0.68 0.07 0.00 0.01 0.00 0.00 72.50 71.90 1ukr s THR 124 CO 0.00 0.27 1.01 -0.94 -0.69 0.00 0.00 174.62 174.27 1ukr s SER 125 N 1.20 0.00 -0.20 3.53 1.04 -0.30 -4.85 113.70 114.13 1ukr s SER 125 Ca -0.06 -0.73 -0.10 0.00 0.48 0.00 0.00 55.95 55.54 1ukr s SER 125 Cb -0.14 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 1ukr s SER 125 CO -0.02 -1.07 0.13 -0.89 0.98 0.00 0.00 173.24 172.37 1ukr s THR 126 N -2.18 5.41 0.17 2.02 2.01 -1.26 -1.41 115.64 120.40 1ukr s THR 126 Ca 0.21 0.19 -0.11 0.00 0.31 0.00 0.00 61.69 62.29 1ukr s THR 126 Cb -0.03 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1ukr s THR 126 CO 0.06 0.45 0.34 0.72 -0.69 0.00 0.00 174.62 175.50 1ukr s PHE 127 N 0.29 0.27 -0.00 4.92 -0.71 -0.32 -4.91 117.98 117.51 1ukr s PHE 127 Ca 0.08 -0.63 -0.02 0.00 -1.04 0.00 0.00 56.93 55.32 1ukr s PHE 127 Cb -0.11 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.72 1ukr s PHE 127 CO -0.02 -0.77 0.19 0.99 -1.34 0.00 0.00 175.22 174.27 1ukr s THR 128 N -3.94 5.43 -0.05 -4.49 2.01 -0.96 -1.20 115.64 112.43 1ukr s THR 128 Ca 0.15 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.99 1ukr s THR 128 Cb 0.02 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1ukr s THR 128 CO -0.01 0.30 -0.14 -1.10 -0.69 0.00 0.00 174.62 172.98 1ukr s GLN 129 N -2.01 2.52 -0.06 4.92 -0.21 0.16 -1.05 119.66 123.93 1ukr s GLN 129 Ca 0.28 -0.69 0.06 0.00 0.02 0.00 0.00 55.36 55.03 1ukr s GLN 129 Cb -0.13 -2.38 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 1ukr s GLN 129 CO 0.20 0.62 -0.24 0.71 -2.12 0.00 0.00 175.29 174.46 1ukr s TYR 130 N -0.71 2.37 -0.02 0.91 2.02 -0.76 -2.06 117.35 119.10 1ukr s TYR 130 Ca 0.11 -0.73 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1ukr s TYR 130 Cb -0.11 -1.56 -0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1ukr s TYR 130 CO 0.01 -0.23 -0.12 -0.06 -1.57 0.00 0.00 175.55 173.58 1ukr s PHE 131 N -0.10 1.17 -0.23 2.71 0.40 -0.43 -1.22 117.98 120.29 1ukr s PHE 131 Ca -0.05 -0.28 -0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1ukr s PHE 131 Cb -0.14 -0.79 0.03 0.00 0.51 0.00 0.00 43.02 42.63 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 3.99 -0.23 1.36 0.01 -0.71 -1.43 113.70 116.69 1ukr s SER 132 Ca -0.00 -0.87 -0.04 0.00 1.31 0.00 0.00 55.95 56.34 1ukr s SER 132 Cb -0.08 -1.60 -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 0.00 173.24 172.85 1ukr s VAL 133 N 1.29 3.48 0.15 3.43 1.01 0.43 -0.43 120.40 129.75 1ukr s VAL 133 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.16 1ukr s VAL 133 Cb -0.16 -2.62 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 1ukr s VAL 133 CO -0.07 0.37 1.48 -0.60 0.00 0.00 0.00 175.10 176.28 1ukr s ARG 134 N 1.48 4.27 0.08 2.72 3.52 -0.35 -1.11 118.95 129.56 1ukr s ARG 134 Ca 0.05 2.23 -0.11 0.00 -0.13 0.00 0.00 55.73 57.77 1ukr s ARG 134 Cb -0.15 -3.19 -0.24 0.00 -1.56 0.00 0.00 34.95 29.81 1ukr s ARG 134 CO -0.02 -0.52 1.16 0.93 -0.81 0.00 0.00 175.30 176.04 1ukr h GLU 135 N 6.69 0.55 -3.70 5.12 5.08 -1.37 -3.36 114.58 123.60 1ukr h GLU 135 Ca -0.43 -0.70 -0.75 0.00 -1.00 0.00 0.00 59.36 56.48 1ukr h GLU 135 Cb 1.21 0.22 -0.30 0.00 0.50 0.00 0.00 28.75 30.38 1ukr h GLU 135 CO 0.88 1.30 -0.07 -1.12 -1.00 0.00 0.00 179.01 179.00 1ukr s SER 136 N -7.31 6.17 0.60 1.42 0.01 -1.26 -5.05 113.70 108.29 1ukr s SER 136 Ca -0.08 -2.84 -0.19 0.00 1.31 0.00 0.00 55.95 54.15 1ukr s SER 136 Cb 0.07 -2.06 -0.03 0.00 0.21 0.00 0.00 66.02 64.21 1ukr s SER 136 CO 0.91 -0.47 1.31 0.42 0.41 0.00 0.00 173.24 175.83 1ukr s THR 137 N -0.05 2.11 0.21 1.44 -4.23 -1.26 -5.00 115.64 108.86 1ukr s THR 137 Ca 0.18 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.71 1ukr s THR 137 Cb -0.14 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.64 1ukr s THR 137 CO -0.07 -0.01 0.26 0.00 -0.54 0.00 0.00 174.62 174.26 1ukr s ARG 138 N -3.20 1.31 -0.02 3.99 1.04 -0.85 -5.01 118.95 116.22 1ukr s ARG 138 Ca 0.78 -1.46 0.03 0.00 -1.04 0.00 0.00 55.73 54.04 1ukr s ARG 138 Cb -0.38 0.35 0.04 0.00 -2.04 0.00 0.00 34.95 32.92 1ukr s ARG 138 CO 0.42 -0.48 0.90 0.25 -0.04 0.00 0.00 175.30 176.36 1ukr n THR 139 N -0.30 0.83 -3.66 4.99 -2.24 -1.26 -3.98 114.28 108.66 1ukr n THR 139 Ca -0.00 -0.88 -0.13 0.00 -2.27 0.00 0.00 64.05 60.76 1ukr n THR 139 Cb 0.64 0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.02 -0.32 0.00 3.42 1.04 -1.26 -0.16 113.70 115.40 1ukr s SER 140 Ca 0.04 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1ukr s SER 140 Cb 0.04 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1ukr s SER 140 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.21 1ukr n GLY 141 N 0.67 0.07 3.44 7.32 0.00 -0.75 -5.01 105.19 110.93 1ukr n GLY 141 Ca -0.19 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.67 2.83 -0.28 2.61 2.01 -1.26 -1.64 115.64 117.24 1ukr s THR 142 Ca 0.00 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 1ukr s THR 142 Cb 0.00 -2.10 0.05 0.00 0.01 0.00 0.00 72.50 70.46 1ukr s THR 142 CO 0.00 0.56 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 1ukr s VAL 143 N -0.73 2.77 -1.06 3.82 1.01 -0.01 -4.82 120.40 121.37 1ukr s VAL 143 Ca 0.12 -1.40 -0.19 0.00 0.00 0.00 0.00 61.98 60.51 1ukr s VAL 143 Cb -0.10 -2.58 0.10 0.00 0.00 0.00 0.00 36.38 33.80 1ukr s VAL 143 CO 0.01 -0.05 1.38 -0.89 0.00 0.00 0.00 175.10 175.55 1ukr s THR 144 N 1.23 4.44 0.36 3.92 2.01 -1.26 -1.53 115.64 124.80 1ukr s THR 144 Ca -0.05 -1.57 0.11 0.00 0.31 0.00 0.00 61.69 60.49 1ukr s THR 144 Cb -0.19 -4.95 0.34 0.00 0.01 0.00 0.00 72.50 67.70 1ukr s THR 144 CO -0.02 -1.74 1.82 0.58 -0.69 0.00 0.00 174.62 174.56 1ukr h VAL 145 N 5.88 0.71 -0.63 3.82 2.07 -1.77 -1.95 116.25 124.39 1ukr h VAL 145 Ca 0.24 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1ukr h VAL 145 Cb 0.97 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1ukr h VAL 145 CO 1.29 0.11 0.42 0.00 0.02 0.00 0.00 177.57 179.41 1ukr h ALA 146 N 1.62 1.85 -0.19 1.67 0.00 -1.84 -1.74 119.26 120.63 1ukr h ALA 146 Ca 0.52 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.34 1ukr h ALA 146 Cb 1.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ukr h ALA 146 CO -0.27 0.03 -0.20 -0.91 0.00 0.00 0.00 179.25 177.90 1ukr h ASN 147 N 0.57 0.32 0.07 0.00 -0.26 -1.70 -1.15 115.58 113.42 1ukr h ASN 147 Ca 0.28 -0.09 -0.16 0.00 -0.56 0.00 0.00 56.30 55.77 1ukr h ASN 147 Cb 0.37 -0.09 0.02 0.00 -1.06 0.00 0.00 38.32 37.56 1ukr h ASN 147 CO -0.09 0.54 -0.68 0.45 -1.06 0.00 0.00 177.43 176.59 1ukr h HIS 148 N 0.30 0.55 -0.87 1.19 3.86 -1.48 -2.91 115.15 115.79 1ukr h HIS 148 Ca 0.05 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 58.90 1ukr h HIS 148 Cb 0.53 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1ukr h HIS 148 CO 0.01 1.22 0.49 0.74 0.86 0.00 0.00 177.93 181.25 1ukr h PHE 149 N -0.27 1.19 -0.19 2.45 -1.00 -1.16 -1.25 116.94 116.71 1ukr h PHE 149 Ca -0.11 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.53 1ukr h PHE 149 Cb 1.46 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 1ukr h PHE 149 CO 0.18 0.81 -0.41 -0.91 -1.61 0.00 0.00 178.31 176.37 1ukr h ASN 150 N 1.21 0.46 -0.03 2.17 -0.26 -1.30 -1.07 115.58 116.77 1ukr h ASN 150 Ca 0.31 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1ukr h ASN 150 Cb 0.01 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1ukr h ASN 150 CO -0.05 0.82 -0.04 0.15 -1.06 0.00 0.00 177.43 177.25 1ukr h PHE 151 N 0.37 0.09 -0.07 1.19 3.57 -1.25 -3.18 116.94 117.66 1ukr h PHE 151 Ca 0.03 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1ukr h PHE 151 Cb 0.87 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1ukr h PHE 151 CO 0.03 0.60 -0.07 -1.49 -2.23 0.00 0.00 178.31 175.15 1ukr h TRP 152 N -0.44 0.10 0.00 0.41 6.55 -1.22 -2.08 115.95 119.26 1ukr h TRP 152 Ca 0.00 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 1ukr h TRP 152 Cb 0.59 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 28.86 1ukr h TRP 152 CO 0.11 0.17 -0.03 0.00 -1.05 0.00 0.00 178.44 177.65 1ukr h ALA 153 N 1.84 1.28 0.00 1.49 0.00 -1.16 0.14 119.26 122.84 1ukr h ALA 153 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ukr h ALA 153 Cb 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ukr h ALA 153 CO 0.01 0.03 -0.06 0.45 0.00 0.00 0.00 179.25 179.68 1ukr h HIS 154 N 0.00 0.00 -0.23 0.00 3.86 -1.44 -3.18 115.15 114.16 1ukr h HIS 154 Ca -0.00 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1ukr h HIS 154 Cb 0.11 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.51 1ukr h HIS 154 CO 0.00 0.06 -0.17 0.72 0.86 0.00 0.00 177.93 179.40 1ukr n HIS 155 N -3.21 0.73 -0.07 2.45 -0.00 -0.01 -4.96 115.22 110.15 1ukr n HIS 155 Ca -0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 57.72 56.26 1ukr n HIS 155 Cb 0.30 -0.39 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 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 -1.09 0.54 3.71 -1.41 0.00 -1.17 -5.05 105.19 100.72 1ukr n GLY 156 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.24 2.94 0.48 1.61 5.36 -0.90 -4.89 117.98 120.34 1ukr s PHE 157 Ca 0.00 0.59 0.15 0.00 -0.96 0.00 0.00 56.93 56.70 1ukr s PHE 157 Cb 0.00 -3.91 1.15 0.00 -0.34 0.00 0.00 43.02 39.92 1ukr s PHE 157 CO 0.00 -3.42 2.09 0.78 -1.46 0.00 0.00 175.22 173.20 1ukr h GLY 158 N 7.20 0.21 -4.38 13.12 0.00 -1.88 -3.37 103.07 113.97 1ukr h GLY 158 Ca -0.43 -0.07 -0.23 0.00 0.00 0.00 0.00 47.33 46.60 1ukr h GLY 158 CO 0.91 0.06 -0.32 -2.01 0.00 0.00 0.00 176.54 175.19 1ukr n ASN 159 N -4.50 -3.37 -3.60 0.19 5.15 -1.26 -4.85 115.26 103.02 1ukr n ASN 159 Ca 0.02 0.12 -0.03 0.00 -0.60 0.00 0.00 54.58 54.08 1ukr n ASN 159 Cb 0.18 -2.87 -0.00 0.00 -0.53 0.00 0.00 39.78 36.55 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 -2.17 -0.10 -1.12 1.20 1.04 -1.26 -5.02 113.70 106.26 1ukr s SER 160 Ca 0.09 -0.48 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 1ukr s SER 160 Cb -0.05 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 1ukr s SER 160 CO 0.11 -0.89 0.85 -0.67 0.98 0.00 0.00 173.24 173.61 1ukr n ASP 161 N -0.74 -5.40 -4.75 7.02 2.03 -1.26 -4.69 116.55 108.76 1ukr n ASP 161 Ca -0.05 -0.85 -0.40 0.00 0.52 0.00 0.00 54.79 54.01 1ukr n ASP 161 Cb 0.60 -4.31 -0.06 0.00 -0.72 0.00 0.00 41.12 36.64 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 -3.45 3.95 0.00 -0.67 0.08 -1.26 -0.87 117.98 115.76 1ukr s PHE 162 Ca 0.41 1.87 0.00 0.00 0.12 0.00 0.00 56.93 59.33 1ukr s PHE 162 Cb -0.10 -2.97 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 1ukr s PHE 162 CO 0.80 0.42 0.00 -1.71 -0.10 0.00 0.00 175.22 174.63 1ukr n ASN 163 N 1.73 0.00 -4.80 1.36 2.85 -0.02 -4.44 115.26 111.94 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 0.48 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.57 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 3.65 2.89 -0.05 1.20 -0.85 -1.11 -0.55 117.35 122.53 1ukr s TYR 164 Ca 0.00 1.29 -0.03 0.00 -0.52 0.00 0.00 57.07 57.82 1ukr s TYR 164 Cb 0.00 -3.02 0.03 0.00 0.38 0.00 0.00 41.96 39.35 1ukr s TYR 164 CO 0.00 -1.60 0.12 -1.14 -1.52 0.00 0.00 175.55 171.41 1ukr s GLN 165 N -5.08 0.08 0.08 -3.49 0.74 -0.64 -2.22 119.66 109.13 1ukr s GLN 165 Ca 0.60 0.31 -0.01 0.00 0.05 0.00 0.00 55.36 56.30 1ukr s GLN 165 Cb -0.15 -0.15 -0.04 0.00 1.10 0.00 0.00 33.01 33.78 1ukr s GLN 165 CO 0.55 -0.14 0.01 0.14 -0.55 0.00 0.00 175.29 175.30 1ukr s VAL 166 N 0.97 0.17 -0.21 1.34 -7.23 0.10 -1.03 120.40 114.51 1ukr s VAL 166 Ca -0.08 -1.83 -0.17 0.00 -1.81 0.00 0.00 61.98 58.09 1ukr s VAL 166 Cb -0.10 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1ukr s VAL 166 CO -0.05 -0.78 0.46 -0.69 -0.31 0.00 0.00 175.10 173.74 1ukr s VAL 167 N -3.97 5.15 0.15 1.32 1.01 -0.61 -0.88 120.40 122.56 1ukr s VAL 167 Ca 0.14 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.99 1ukr s VAL 167 Cb 0.08 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1ukr s VAL 167 CO -0.05 0.20 -0.11 0.00 0.00 0.00 0.00 175.10 175.13 1ukr s ALA 168 N 1.57 1.53 -0.09 5.51 0.00 0.02 -2.58 121.76 127.71 1ukr s ALA 168 Ca 0.21 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1ukr s ALA 168 Cb -0.15 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1ukr s ALA 168 CO 0.09 -0.04 -0.22 0.08 0.00 0.00 0.00 175.76 175.67 1ukr s VAL 169 N -3.05 1.87 0.07 0.00 1.01 -0.31 -1.47 120.40 118.53 1ukr s VAL 169 Ca 0.16 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1ukr s VAL 169 Cb 0.01 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1ukr s VAL 169 CO 0.02 0.52 -0.19 -0.70 0.00 0.00 0.00 175.10 174.75 1ukr s GLU 170 N 0.42 1.14 -0.06 2.72 2.12 -0.80 -1.56 118.70 122.66 1ukr s GLU 170 Ca -0.18 -1.02 -0.30 0.00 0.36 0.00 0.00 54.97 53.83 1ukr s GLU 170 Cb -0.18 -1.30 0.07 0.00 0.26 0.00 0.00 34.13 32.99 1ukr s GLU 170 CO 0.08 0.31 0.67 0.00 -0.54 0.00 0.00 175.26 175.78 1ukr s ALA 171 N -1.03 -1.74 0.00 6.30 0.00 -1.01 -1.17 121.76 123.11 1ukr s ALA 171 Ca 0.05 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1ukr s ALA 171 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1ukr s ALA 171 CO 0.03 -0.36 0.42 -2.67 0.00 0.00 0.00 175.76 173.17 1ukr n TRP 172 N 1.05 0.00 -3.56 0.00 2.14 -0.50 -1.39 117.44 115.18 1ukr n TRP 172 Ca -0.19 -0.07 -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 -0.14 -0.34 0.10 -0.67 1.04 -1.25 -3.46 113.70 108.98 1ukr s SER 173 Ca 0.00 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.33 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 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1ukr n GLY 174 N -0.31 -2.01 3.31 7.32 0.00 -1.22 -2.72 105.19 109.56 1ukr n GLY 174 Ca -0.09 -1.40 -0.17 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.12 1.75 0.00 4.61 0.00 -1.26 -1.92 121.76 123.82 1ukr s ALA 175 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1ukr s ALA 175 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.45 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 -0.37 -1.13 3.35 0.00 0.00 -1.08 -4.53 105.19 101.43 1ukr n GLY 176 Ca -0.07 -0.97 -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 -0.20 -0.10 1.61 1.04 -0.64 -0.92 113.70 110.49 1ukr s SER 177 Ca 0.00 -0.41 -0.20 0.00 0.48 0.00 0.00 55.95 55.82 1ukr s SER 177 Cb 0.00 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.65 1ukr s SER 177 CO 0.00 -0.88 0.49 0.00 0.98 0.00 0.00 173.24 173.82 1ukr s ALA 178 N -3.83 -1.23 -0.16 5.32 0.00 0.08 -0.65 121.76 121.29 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 -0.33 0.08 0.00 0.00 0.00 0.00 23.12 22.88 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 -0.61 0.62 0.04 0.00 0.15 -0.40 -0.80 113.70 112.71 1ukr s SER 179 Ca -0.07 0.34 0.08 0.00 0.70 0.00 0.00 55.95 57.00 1ukr s SER 179 Cb -0.03 0.64 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1ukr s SER 179 CO 0.04 -0.27 -0.23 -0.69 1.20 0.00 0.00 173.24 173.30 1ukr s VAL 180 N 2.40 1.84 -0.05 4.45 1.01 -0.14 -0.64 120.40 129.26 1ukr s VAL 180 Ca 0.04 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1ukr s VAL 180 Cb -0.13 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.67 1ukr s VAL 180 CO -0.10 0.29 -0.16 -0.89 0.00 0.00 0.00 175.10 174.24 1ukr s THR 181 N -0.77 1.38 -0.21 3.92 2.01 0.05 -1.61 115.64 120.41 1ukr s THR 181 Ca 0.09 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 1ukr s THR 181 Cb -0.09 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1ukr s THR 181 CO 0.02 0.40 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.71 1ukr s ILE 182 N 0.25 3.80 -2.85 1.82 1.01 0.23 -1.13 121.20 124.34 1ukr s ILE 182 Ca -0.08 -0.36 0.25 0.00 0.00 0.00 0.00 60.65 60.46 1ukr s ILE 182 Cb -0.13 -2.72 0.30 0.00 0.01 0.00 0.00 42.46 39.92 1ukr s ILE 182 CO 0.03 0.42 1.41 -1.20 0.00 0.00 0.00 174.94 175.60