#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 0.08 -1.08 -0.61 2.08 -1.26 -4.90 119.36 113.67 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 -1.69 0.00 0.00 -0.75 0.00 0.00 39.64 37.20 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 3.97 0.15 -3.82 4.38 6.94 -0.53 -4.91 115.26 121.44 1ukr n ASN 5 Ca 0.17 -1.23 -0.13 0.00 -0.02 0.00 0.00 54.58 53.38 1ukr n ASN 5 Cb 0.31 -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 -0.10 -0.06 -0.18 -2.53 5.04 -0.80 -4.67 117.35 114.06 1ukr s TYR 6 Ca 0.00 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 54.82 1ukr s TYR 6 Cb 0.00 -0.05 -0.00 0.00 0.35 0.00 0.00 41.96 42.26 1ukr s TYR 6 CO 0.00 -0.06 -0.12 0.08 -1.34 0.00 0.00 175.55 174.11 1ukr s VAL 7 N 0.42 2.85 -0.23 3.14 1.01 -1.26 -1.38 120.40 124.96 1ukr s VAL 7 Ca -0.03 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 1ukr s VAL 7 Cb -0.05 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1ukr s VAL 7 CO -0.02 0.49 0.45 -1.58 0.00 0.00 0.00 175.10 174.44 1ukr s GLN 8 N 1.10 4.12 -0.31 2.72 2.00 0.01 -4.99 119.66 124.33 1ukr s GLN 8 Ca 0.00 0.25 -0.02 0.00 -2.00 0.00 0.00 55.36 53.60 1ukr s GLN 8 Cb -0.14 -3.59 0.12 0.00 0.80 0.00 0.00 33.01 30.20 1ukr s GLN 8 CO -0.03 -0.18 0.21 1.21 -0.50 0.00 0.00 175.29 176.00 1ukr s ASN 9 N 1.29 2.68 -0.31 6.67 3.84 -1.26 -1.73 114.94 126.12 1ukr s ASN 9 Ca 0.20 -1.32 0.01 0.00 0.21 0.00 0.00 52.86 51.96 1ukr s ASN 9 Cb -0.15 -0.02 0.07 0.00 -0.55 0.00 0.00 41.25 40.60 1ukr s ASN 9 CO 0.09 -0.39 0.00 -0.47 -2.79 0.00 0.00 177.10 173.55 1ukr s TYR 10 N 1.93 3.42 -1.48 0.43 5.04 -0.13 -4.68 117.35 121.89 1ukr s TYR 10 Ca 0.11 -2.36 -0.11 0.00 -2.44 0.00 0.00 57.07 52.28 1ukr s TYR 10 Cb -0.17 -2.39 0.07 0.00 0.35 0.00 0.00 41.96 39.83 1ukr s TYR 10 CO -0.26 -0.88 0.84 0.09 -1.34 0.00 0.00 175.55 173.99 1ukr n ASN 11 N 4.47 -4.88 0.31 4.32 3.02 -1.26 -1.27 115.26 119.96 1ukr n ASN 11 Ca -0.08 -0.61 0.18 0.00 -0.03 0.00 0.00 54.58 54.04 1ukr n ASN 11 Cb 0.42 -3.93 0.95 0.00 -0.61 0.00 0.00 39.78 36.61 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 -1.78 0.00 2.00 7.41 0.00 -1.87 -1.42 103.07 107.41 1ukr h GLY 12 Ca -0.54 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1ukr h GLY 12 CO 0.62 0.00 -0.03 3.45 0.00 0.00 0.00 176.54 180.59 1ukr h ASN 13 N 0.00 0.00 0.58 0.19 7.08 -1.98 -2.61 115.58 118.84 1ukr h ASN 13 Ca 0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.24 1ukr h ASN 13 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.69 1ukr h ASN 13 CO -0.00 0.03 0.00 0.18 -2.08 0.00 0.00 177.43 175.56 1ukr n LEU 14 N -3.27 0.26 0.00 6.14 4.77 -0.54 -4.83 117.00 119.53 1ukr n LEU 14 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1ukr n LEU 14 Cb 0.16 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1ukr n LEU 14 CO 0.24 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1ukr n GLY 15 N -0.01 4.61 3.10 -0.72 0.00 -0.98 -4.87 105.19 106.31 1ukr n GLY 15 Ca 0.03 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 1.22 5.10 -0.28 1.61 2.15 0.05 -4.94 116.67 121.58 1ukr s ASP 16 Ca 0.00 -1.99 -0.12 0.00 0.43 0.00 0.00 52.55 50.87 1ukr s ASP 16 Cb 0.00 -1.77 -0.05 0.00 -0.30 0.00 0.00 42.92 40.80 1ukr s ASP 16 CO 0.00 -0.48 0.22 0.12 -0.17 0.00 0.00 175.17 174.86 1ukr s PHE 17 N 1.09 3.22 0.06 -5.34 5.36 -1.26 -2.09 117.98 119.03 1ukr s PHE 17 Ca 0.08 0.17 0.08 0.00 -0.96 0.00 0.00 56.93 56.29 1ukr s PHE 17 Cb -0.22 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.03 1ukr s PHE 17 CO -0.05 -0.17 -0.21 0.99 -1.46 0.00 0.00 175.22 174.32 1ukr s THR 18 N 1.80 1.72 0.18 0.12 2.01 -0.67 -5.00 115.64 115.81 1ukr s THR 18 Ca 0.08 -1.30 -0.19 0.00 0.31 0.00 0.00 61.69 60.59 1ukr s THR 18 Cb -0.16 -1.51 0.04 0.00 0.01 0.00 0.00 72.50 70.88 1ukr s THR 18 CO 0.11 0.16 0.54 -0.72 -0.69 0.00 0.00 174.62 174.02 1ukr s TYR 19 N -0.88 -0.27 -0.26 4.92 1.13 -1.26 -1.06 117.35 119.66 1ukr s TYR 19 Ca 0.08 -0.03 -0.02 0.00 -1.41 0.00 0.00 57.07 55.69 1ukr s TYR 19 Cb -0.09 0.45 0.13 0.00 -1.10 0.00 0.00 41.96 41.35 1ukr s TYR 19 CO 0.02 -0.89 0.32 0.34 -2.51 0.00 0.00 175.55 172.83 1ukr s ASP 20 N -2.83 1.00 0.42 -0.18 -1.08 -0.64 -4.99 116.67 108.37 1ukr s ASP 20 Ca 0.06 -0.29 0.17 0.00 -0.52 0.00 0.00 52.55 51.96 1ukr s ASP 20 Cb -0.01 0.74 0.93 0.00 -1.46 0.00 0.00 42.92 43.12 1ukr s ASP 20 CO -0.07 -0.34 1.90 -0.33 0.52 0.00 0.00 175.17 176.85 1ukr h GLU 21 N 8.24 0.00 -0.18 4.34 3.07 -1.96 -1.01 114.58 127.09 1ukr h GLU 21 Ca -0.15 0.00 -0.22 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 29.04 1ukr h GLU 21 CO 0.29 0.28 -0.73 0.77 -1.40 0.00 0.00 179.01 178.23 1ukr h SER 22 N 0.00 0.95 1.52 1.42 0.02 -1.95 -3.05 113.55 112.47 1ukr h SER 22 Ca -0.00 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.33 1ukr h SER 22 Cb 0.54 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1ukr h SER 22 CO 0.04 1.40 -0.04 0.00 -1.14 0.00 0.00 176.83 177.09 1ukr h ALA 23 N 0.57 0.97 -2.15 3.77 0.00 -1.95 -3.48 119.26 116.99 1ukr h ALA 23 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 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 -0.30 0.41 0.00 0.00 0.00 179.25 179.52 1ukr n GLY 24 N 1.28 0.02 3.36 0.00 0.00 -0.43 -4.76 105.19 104.64 1ukr n GLY 24 Ca 0.05 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.74 1.95 0.16 2.61 -4.23 -0.88 -0.55 115.64 111.96 1ukr s THR 25 Ca 0.10 -1.95 -0.21 0.00 -1.18 0.00 0.00 61.69 58.44 1ukr s THR 25 Cb -0.04 -1.91 0.06 0.00 1.34 0.00 0.00 72.50 71.94 1ukr s THR 25 CO 0.12 -0.27 0.57 0.72 -0.54 0.00 0.00 174.62 175.22 1ukr s PHE 26 N -1.97 -0.44 0.05 3.99 -0.12 -0.62 -1.63 117.98 117.25 1ukr s PHE 26 Ca 0.17 0.18 -0.08 0.00 -0.05 0.00 0.00 56.93 57.16 1ukr s PHE 26 Cb -0.06 0.51 -0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1ukr s PHE 26 CO 0.07 -0.85 0.16 -1.54 -0.05 0.00 0.00 175.22 173.01 1ukr s SER 27 N -2.78 0.11 -0.06 1.98 1.04 -0.22 -1.01 113.70 112.76 1ukr s SER 27 Ca 0.02 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.92 1ukr s SER 27 Cb -0.01 0.28 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1ukr s SER 27 CO -0.11 -0.59 0.11 -0.32 0.98 0.00 0.00 173.24 173.31 1ukr s MET 28 N -2.96 -0.00 -0.15 4.02 0.00 -0.05 -1.67 119.30 118.49 1ukr s MET 28 Ca -0.02 0.43 -0.01 0.00 0.00 0.00 0.00 55.69 56.09 1ukr s MET 28 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 34.83 34.49 1ukr s MET 28 CO -0.06 -0.28 -0.11 0.71 0.00 0.00 0.00 175.02 175.28 1ukr s TYR 29 N 1.95 2.85 -0.28 4.11 2.02 -0.89 -0.60 117.35 126.51 1ukr s TYR 29 Ca 0.00 -0.71 0.20 0.00 -0.37 0.00 0.00 57.07 56.20 1ukr s TYR 29 Cb -0.12 -1.90 0.49 0.00 -0.40 0.00 0.00 41.96 40.03 1ukr s TYR 29 CO -0.05 -0.28 1.07 -2.67 -1.57 0.00 0.00 175.55 172.06 1ukr n TRP 30 N 3.78 1.37 0.17 2.71 2.14 -0.05 -0.77 117.44 126.80 1ukr n TRP 30 Ca -0.18 -2.34 0.06 0.00 2.07 0.00 0.00 57.50 57.10 1ukr n TRP 30 Cb 0.52 -0.27 0.29 0.00 -0.81 0.00 0.00 31.31 31.04 1ukr n TRP 30 CO 0.00 0.00 0.00 -1.91 2.07 0.00 0.00 177.69 177.85 1ukr n GLU 31 N -0.46 0.07 0.00 -2.67 2.13 -0.99 -0.89 120.64 117.83 1ukr n GLU 31 Ca 0.11 0.50 0.12 0.00 0.66 0.00 0.00 57.16 58.54 1ukr n GLU 31 Cb 0.81 -1.69 0.11 0.00 0.27 0.00 0.00 31.44 30.94 1ukr n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ukr n ASP 32 N -1.83 1.54 0.00 4.31 8.00 -1.26 -4.76 116.55 122.55 1ukr n ASP 32 Ca 0.00 -1.21 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1ukr n ASP 32 Cb 0.06 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 1.41 1.95 3.04 0.44 0.00 -0.07 -4.97 105.19 106.98 1ukr n GLY 33 Ca 0.09 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.90 0.11 -0.04 1.61 1.01 -0.80 -4.95 120.40 114.43 1ukr s VAL 34 Ca 0.00 -0.89 0.13 0.00 0.00 0.00 0.00 61.98 61.21 1ukr s VAL 34 Cb 0.00 -0.42 0.23 0.00 0.00 0.00 0.00 36.38 36.19 1ukr s VAL 34 CO 0.00 -0.49 1.10 -1.54 0.00 0.00 0.00 175.10 174.17 1ukr n SER 35 N 1.41 0.84 -3.85 3.32 3.41 -1.26 -3.39 113.62 114.11 1ukr n SER 35 Ca -0.23 -2.35 -0.09 0.00 -0.26 0.00 0.00 58.87 55.95 1ukr n SER 35 Cb 0.56 -0.30 -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 -1.84 0.08 0.15 4.04 0.15 -1.22 -4.93 113.70 110.14 1ukr s SER 36 Ca 0.20 -0.64 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 1ukr s SER 36 Cb 0.21 0.36 -0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1ukr s SER 36 CO -0.06 -0.76 1.17 -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 2.13 0.06 0.00 0.43 0.00 0.00 52.55 55.23 1ukr s ASP 37 Cb 0.04 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 40.03 1ukr s ASP 37 CO -0.10 -0.35 -0.15 0.72 -0.17 0.00 0.00 175.17 175.11 1ukr s PHE 38 N 0.20 1.39 -0.11 -5.34 -0.12 -0.49 -4.68 117.98 108.82 1ukr s PHE 38 Ca 0.53 -0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 56.90 1ukr s PHE 38 Cb -0.31 -0.76 0.04 0.00 -0.63 0.00 0.00 43.02 41.37 1ukr s PHE 38 CO 0.34 0.12 0.04 0.08 -0.05 0.00 0.00 175.22 175.75 1ukr s VAL 39 N -1.54 0.17 0.11 -2.49 1.01 -0.40 -2.40 120.40 114.86 1ukr s VAL 39 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1ukr s VAL 39 Cb -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1ukr s VAL 39 CO 0.03 0.03 -0.15 0.68 0.00 0.00 0.00 175.10 175.69 1ukr s VAL 40 N 2.04 1.35 -2.84 2.92 -7.23 -0.62 -0.96 120.40 115.06 1ukr s VAL 40 Ca 0.03 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 1ukr s VAL 40 Cb -0.14 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.35 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 0.74 -1.62 3.20 2.32 0.00 -0.70 -1.15 105.19 107.97 1ukr n GLY 41 Ca -0.17 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.07 -0.81 118.68 121.48 1ukr s LEU 42 Ca 0.00 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1ukr s LEU 42 Cb 0.00 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.57 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 1.35 0.94 3.09 -3.19 0.00 -0.48 -1.47 105.19 105.43 1ukr n GLY 43 Ca -0.20 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 0.96 1.05 0.36 1.61 0.51 -0.12 -1.45 118.94 121.85 1ukr s TRP 44 Ca 0.00 -0.29 0.21 0.00 -2.12 0.00 0.00 56.10 53.90 1ukr s TRP 44 Cb 0.00 -0.64 1.11 0.00 -0.81 0.00 0.00 33.47 33.13 1ukr s TRP 44 CO 0.00 0.00 1.95 1.79 -0.51 0.00 0.00 176.95 180.19 1ukr h THR 45 N 4.66 0.82 -3.22 2.01 1.35 -1.86 -1.70 112.91 114.98 1ukr h THR 45 Ca -0.35 -0.86 -0.56 0.00 -0.55 0.00 0.00 66.41 64.09 1ukr h THR 45 Cb 1.18 1.51 -0.35 0.00 -1.73 0.00 0.00 68.15 68.76 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 -4.14 1.34 0.91 6.82 2.01 -1.26 -2.76 115.64 118.57 1ukr s THR 46 Ca -0.02 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1ukr s THR 46 Cb 0.13 -1.27 0.14 0.00 0.01 0.00 0.00 72.50 71.51 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 1.30 1.59 0.36 4.40 0.00 0.38 -4.77 107.32 110.58 1ukr s GLY 47 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 44.72 44.28 1ukr s GLY 47 CO -0.05 0.21 0.65 -1.35 0.00 0.00 0.00 173.10 172.56 1ukr s SER 48 N -3.71 0.34 -0.04 1.64 1.04 -1.26 -4.79 113.70 106.92 1ukr s SER 48 Ca 0.64 -1.24 0.15 0.00 0.48 0.00 0.00 55.95 55.98 1ukr s SER 48 Cb -0.16 0.76 0.50 0.00 0.10 0.00 0.00 66.02 67.22 1ukr s SER 48 CO 0.55 -1.50 1.40 -1.54 0.98 0.00 0.00 173.24 173.13 1ukr n SER 49 N -1.32 3.23 -4.76 7.02 3.41 -1.26 -4.94 113.62 115.01 1ukr n SER 49 Ca -0.04 -2.14 -0.36 0.00 -0.26 0.00 0.00 58.87 56.06 1ukr n SER 49 Cb 0.61 -0.42 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.91 5.33 0.44 4.04 0.02 -1.26 -2.87 114.94 119.73 1ukr s ASN 50 Ca 0.37 2.43 -0.25 0.00 -1.02 0.00 0.00 52.86 54.40 1ukr s ASN 50 Cb 0.21 -2.60 -0.08 0.00 0.02 0.00 0.00 41.25 38.80 1ukr s ASN 50 CO 0.22 -1.50 1.29 0.00 0.02 0.00 0.00 177.10 177.12 1ukr s ALA 51 N -1.54 3.12 -0.10 0.60 0.00 -1.26 -4.41 121.76 118.16 1ukr s ALA 51 Ca 0.75 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.93 1ukr s ALA 51 Cb -0.32 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 1ukr s ALA 51 CO 0.35 -0.90 -0.22 0.42 0.00 0.00 0.00 175.76 175.42 1ukr s ILE 52 N -1.33 2.26 -0.11 0.00 1.01 -0.59 -4.96 121.20 117.48 1ukr s ILE 52 Ca 0.61 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1ukr s ILE 52 Cb -0.37 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 1ukr s ILE 52 CO 0.46 0.55 -0.15 -0.89 0.00 0.00 0.00 174.94 174.91 1ukr s THR 53 N 0.32 2.93 0.15 2.92 2.01 -1.26 -0.89 115.64 121.82 1ukr s THR 53 Ca -0.17 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1ukr s THR 53 Cb -0.17 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1ukr s THR 53 CO 0.08 0.54 0.14 -0.72 -0.69 0.00 0.00 174.62 173.98 1ukr s TYR 54 N 0.13 0.74 -0.06 4.92 1.13 -0.61 -1.04 117.35 122.55 1ukr s TYR 54 Ca -0.07 -1.10 -0.04 0.00 -1.41 0.00 0.00 57.07 54.45 1ukr s TYR 54 Cb -0.15 -0.34 0.03 0.00 -1.10 0.00 0.00 41.96 40.39 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 -3.04 -0.13 0.04 -0.18 0.15 -0.27 -1.82 113.70 108.44 1ukr s SER 55 Ca 0.24 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 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ukr s SER 55 CO 0.03 -0.11 0.17 0.00 1.20 0.00 0.00 173.24 174.53 1ukr s ALA 56 N 0.71 -0.31 -0.23 5.45 0.00 0.87 -0.72 121.76 127.53 1ukr s ALA 56 Ca -0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1ukr s ALA 56 Cb -0.07 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1ukr s ALA 56 CO -0.03 -0.34 0.01 -1.21 0.00 0.00 0.00 175.76 174.18 1ukr s GLU 57 N -2.50 3.53 -0.04 0.00 0.41 -0.34 -4.68 118.70 115.07 1ukr s GLU 57 Ca -0.06 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 53.94 1ukr s GLU 57 Cb -0.01 -3.14 0.03 0.00 -1.78 0.00 0.00 34.13 29.23 1ukr s GLU 57 CO -0.04 -0.15 0.07 -0.47 -0.49 0.00 0.00 175.26 174.19 1ukr s TYR 58 N 1.43 -0.02 -0.21 1.61 5.04 -1.26 -1.06 117.35 122.88 1ukr s TYR 58 Ca 0.05 0.29 -0.03 0.00 -2.44 0.00 0.00 57.07 54.94 1ukr s TYR 58 Cb -0.15 -0.28 0.07 0.00 0.35 0.00 0.00 41.96 41.95 1ukr s TYR 58 CO 0.00 -0.15 0.05 0.45 -1.34 0.00 0.00 175.55 174.56 1ukr s SER 59 N 1.55 3.00 -0.21 4.32 0.15 0.19 -4.99 113.70 117.69 1ukr s SER 59 Ca -0.04 -0.91 0.18 0.00 0.70 0.00 0.00 55.95 55.88 1ukr s SER 59 Cb -0.12 -0.56 0.41 0.00 -1.71 0.00 0.00 66.02 64.03 1ukr s SER 59 CO -0.04 -0.33 1.24 0.00 1.20 0.00 0.00 173.24 175.31 1ukr n ALA 60 N 5.07 2.78 -1.99 5.45 0.00 -1.26 -1.60 120.51 128.96 1ukr n ALA 60 Ca -0.08 -1.92 -0.41 0.00 0.00 0.00 0.00 53.44 51.03 1ukr n ALA 60 Cb 0.46 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1ukr n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ukr s SER 61 N -2.38 7.01 -0.40 0.00 1.04 -1.26 -1.87 113.70 115.84 1ukr s SER 61 Ca 0.20 2.33 0.00 0.00 0.48 0.00 0.00 55.95 58.96 1ukr s SER 61 Cb 0.33 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1ukr s SER 61 CO -0.08 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1ukr n GLY 62 N 2.06 0.67 3.05 7.32 0.00 -1.26 -4.79 105.19 112.24 1ukr n GLY 62 Ca 0.04 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.73 1.75 -0.86 1.61 0.15 -0.78 -4.23 113.70 108.62 1ukr s SER 63 Ca 0.00 -0.29 -0.25 0.00 0.70 0.00 0.00 55.95 56.11 1ukr s SER 63 Cb 0.00 -0.63 0.04 0.00 -1.71 0.00 0.00 66.02 63.71 1ukr s SER 63 CO 0.00 0.08 1.38 0.00 1.20 0.00 0.00 173.24 175.90 1ukr s ALA 64 N 0.36 2.70 0.08 5.45 0.00 -1.08 -1.37 121.76 127.90 1ukr s ALA 64 Ca -0.09 -1.72 -0.09 0.00 0.00 0.00 0.00 51.96 50.07 1ukr s ALA 64 Cb -0.13 -4.38 -0.00 0.00 0.00 0.00 0.00 23.12 18.61 1ukr s ALA 64 CO 0.02 -3.47 0.18 0.45 0.00 0.00 0.00 175.76 172.94 1ukr s SER 65 N 4.46 0.11 0.02 0.00 0.15 -1.26 -1.50 113.70 115.68 1ukr s SER 65 Ca 0.41 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.49 1ukr s SER 65 Cb -0.05 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 1ukr s SER 65 CO 0.05 -0.68 -0.07 -0.31 1.20 0.00 0.00 173.24 173.42 1ukr s TYR 66 N -3.55 0.59 -0.33 3.44 2.02 -0.29 -1.39 117.35 117.83 1ukr s TYR 66 Ca 0.03 -0.27 -0.08 0.00 -0.37 0.00 0.00 57.07 56.38 1ukr s TYR 66 Cb 0.04 -0.36 0.02 0.00 -0.40 0.00 0.00 41.96 41.25 1ukr s TYR 66 CO -0.09 -0.04 0.12 -1.17 -1.57 0.00 0.00 175.55 172.80 1ukr s LEU 67 N -0.76 4.21 0.05 -1.29 2.96 -0.41 -1.92 118.68 121.52 1ukr s LEU 67 Ca -0.03 -0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 52.87 1ukr s LEU 67 Cb -0.06 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1ukr s LEU 67 CO 0.00 -0.28 0.22 0.00 -1.32 0.00 0.00 176.35 174.98 1ukr s ALA 68 N 1.48 -0.42 -0.05 5.97 0.00 -0.61 -1.50 121.76 126.63 1ukr s ALA 68 Ca 0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 51.96 51.48 1ukr s ALA 68 Cb -0.18 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1ukr s ALA 68 CO 0.04 -0.41 0.65 0.08 0.00 0.00 0.00 175.76 176.12 1ukr s VAL 69 N -2.83 5.00 0.02 0.00 1.01 -0.57 -0.81 120.40 122.22 1ukr s VAL 69 Ca -0.03 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.31 1ukr s VAL 69 Cb 0.00 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ukr s VAL 69 CO -0.05 0.31 -0.05 -0.47 0.00 0.00 0.00 175.10 174.84 1ukr s TYR 70 N 0.46 0.41 -0.01 5.22 5.04 -0.09 -0.92 117.35 127.46 1ukr s TYR 70 Ca 0.34 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1ukr s TYR 70 Cb -0.18 -0.26 0.00 0.00 0.35 0.00 0.00 41.96 41.87 1ukr s TYR 70 CO 0.17 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.70 1ukr n GLY 71 N 1.95 -1.18 3.08 8.97 0.00 -1.04 -0.66 105.19 116.31 1ukr n GLY 71 Ca -0.20 -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 -2.62 0.59 -0.07 1.61 0.52 -0.93 -1.55 118.94 116.49 1ukr s TRP 72 Ca 0.00 -0.82 0.06 0.00 0.02 0.00 0.00 56.10 55.36 1ukr s TRP 72 Cb 0.00 -0.38 -0.01 0.00 -1.15 0.00 0.00 33.47 31.93 1ukr s TRP 72 CO 0.00 -0.23 -0.25 0.08 0.02 0.00 0.00 176.95 176.57 1ukr s VAL 73 N -2.89 2.05 0.01 4.03 1.01 0.29 -0.95 120.40 123.95 1ukr s VAL 73 Ca 0.01 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 1ukr s VAL 73 Cb 0.00 -1.74 -0.16 0.00 0.00 0.00 0.00 36.38 34.48 1ukr s VAL 73 CO -0.05 0.57 1.22 0.78 0.00 0.00 0.00 175.10 177.62 1ukr h ASN 74 N 6.19 -0.36 -3.51 3.32 2.35 -1.31 -2.37 115.58 119.88 1ukr h ASN 74 Ca -0.29 -0.17 -0.22 0.00 -0.55 0.00 0.00 56.30 55.06 1ukr h ASN 74 Cb 1.19 0.09 -0.30 0.00 0.05 0.00 0.00 38.32 39.35 1ukr h ASN 74 CO 0.47 0.01 -0.56 -0.47 -1.65 0.00 0.00 177.43 175.23 1ukr s TYR 75 N -4.62 -0.19 0.29 1.19 5.04 -1.26 -3.05 117.35 114.74 1ukr s TYR 75 Ca -0.14 0.52 -0.30 0.00 -2.44 0.00 0.00 57.07 54.70 1ukr s TYR 75 Cb 0.02 -0.02 -0.12 0.00 0.35 0.00 0.00 41.96 42.19 1ukr s TYR 75 CO 0.54 -0.16 1.55 -2.30 -1.34 0.00 0.00 175.55 173.84 1ukr n PRO 76 N 3.89 2.57 -1.95 4.97 -0.02 -1.26 -4.83 135.00 138.37 1ukr n PRO 76 Ca -0.23 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1ukr n PRO 76 Cb 0.54 -2.67 -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 -0.57 4.18 -0.04 -0.52 0.74 -1.17 -4.71 119.66 117.57 1ukr s GLN 77 Ca 0.64 2.27 -0.04 0.00 0.05 0.00 0.00 55.36 58.29 1ukr s GLN 77 Cb -0.52 -3.96 0.02 0.00 1.10 0.00 0.00 33.01 29.64 1ukr s GLN 77 CO 0.49 -0.85 0.11 0.00 -0.55 0.00 0.00 175.29 174.50 1ukr s ALA 78 N 3.92 -0.27 -0.16 1.58 0.00 -0.89 -2.29 121.76 123.64 1ukr s ALA 78 Ca 0.76 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 53.00 1ukr s ALA 78 Cb -0.36 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1ukr s ALA 78 CO 0.32 -0.07 0.13 -2.00 0.00 0.00 0.00 175.76 174.14 1ukr s GLU 79 N 0.24 3.82 0.05 0.00 2.12 -0.10 -0.54 118.70 124.28 1ukr s GLU 79 Ca -0.01 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.16 1ukr s GLU 79 Cb -0.03 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 1ukr s GLU 79 CO -0.01 0.54 -0.08 1.52 -0.54 0.00 0.00 175.26 176.69 1ukr s TYR 80 N -0.33 0.72 -0.01 5.30 -0.85 -0.60 -1.77 117.35 119.83 1ukr s TYR 80 Ca 0.11 -0.52 0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1ukr s TYR 80 Cb -0.11 -0.43 -0.00 0.00 0.38 0.00 0.00 41.96 41.79 1ukr s TYR 80 CO 0.01 -0.08 -0.07 0.71 -1.52 0.00 0.00 175.55 174.61 1ukr s TYR 81 N -1.47 0.59 -0.36 -3.49 1.51 -0.39 -2.50 117.35 111.23 1ukr s TYR 81 Ca -0.08 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 1ukr s TYR 81 Cb -0.09 -0.38 0.10 0.00 -0.11 0.00 0.00 41.96 41.48 1ukr s TYR 81 CO 0.00 -0.01 0.08 0.42 -1.11 0.00 0.00 175.55 174.93 1ukr s ILE 82 N -0.14 2.32 -0.41 2.71 1.01 -0.10 -1.73 121.20 124.85 1ukr s ILE 82 Ca 0.02 -2.47 -0.25 0.00 0.00 0.00 0.00 60.65 57.96 1ukr s ILE 82 Cb -0.03 -2.70 0.02 0.00 0.01 0.00 0.00 42.46 39.76 1ukr s ILE 82 CO -0.00 -0.62 0.91 -0.69 0.00 0.00 0.00 174.94 174.53 1ukr s VAL 83 N 0.76 4.55 -0.01 2.92 1.01 0.45 -1.51 120.40 128.57 1ukr s VAL 83 Ca 0.12 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 1ukr s VAL 83 Cb -0.20 -4.36 -0.28 0.00 0.00 0.00 0.00 36.38 31.54 1ukr s VAL 83 CO -0.07 -0.66 0.81 -0.33 0.00 0.00 0.00 175.10 174.85 1ukr h GLU 84 N 8.74 0.27 -3.51 2.72 4.39 -1.56 -0.82 114.58 124.81 1ukr h GLU 84 Ca -0.24 -0.46 -0.06 0.00 0.34 0.00 0.00 59.36 58.94 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 1.14 -0.15 0.34 -1.16 0.00 0.00 179.01 180.17 1ukr s ASP 85 N -7.02 -0.14 0.31 1.42 -1.08 -1.19 -1.97 116.67 107.00 1ukr s ASP 85 Ca -0.10 -0.42 -0.19 0.00 -0.52 0.00 0.00 52.55 51.31 1ukr s ASP 85 Cb 0.07 0.44 0.04 0.00 -1.46 0.00 0.00 42.92 42.01 1ukr s ASP 85 CO 0.85 -0.83 0.77 -0.72 0.52 0.00 0.00 175.17 175.76 1ukr s TYR 86 N -3.83 -0.07 0.00 -5.34 1.13 -1.26 -1.29 117.35 106.69 1ukr s TYR 86 Ca 0.04 -0.45 0.00 0.00 -1.41 0.00 0.00 57.07 55.25 1ukr s TYR 86 Cb 0.03 0.75 0.00 0.00 -1.10 0.00 0.00 41.96 41.64 1ukr s TYR 86 CO -0.11 -1.32 0.00 0.41 -2.51 0.00 0.00 175.55 172.02 1ukr n GLY 87 N -0.49 0.56 0.24 5.49 0.00 -0.49 -4.89 105.19 105.60 1ukr n GLY 87 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1ukr n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ukr h ASP 88 N 0.00 0.00 -3.30 1.61 3.32 -1.42 -3.46 116.42 113.16 1ukr h ASP 88 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1ukr h ASP 88 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.26 1ukr h ASP 88 CO 0.00 0.00 -0.79 -0.47 -1.72 0.00 0.00 179.24 176.26 1ukr s TYR 89 N -3.37 2.79 -0.31 4.55 5.04 -1.26 -5.02 117.35 119.77 1ukr s TYR 89 Ca 0.05 -0.88 -0.08 0.00 -2.44 0.00 0.00 57.07 53.72 1ukr s TYR 89 Cb 0.06 -1.87 0.00 0.00 0.35 0.00 0.00 41.96 40.51 1ukr s TYR 89 CO 0.62 -0.37 0.12 1.21 -1.34 0.00 0.00 175.55 175.79 1ukr s ASN 90 N 0.64 5.33 0.48 4.32 3.84 -1.26 -4.84 114.94 123.45 1ukr s ASN 90 Ca -0.08 -0.67 0.15 0.00 0.21 0.00 0.00 52.86 52.48 1ukr s ASN 90 Cb -0.16 -1.94 1.13 0.00 -0.55 0.00 0.00 41.25 39.74 1ukr s ASN 90 CO 0.02 -0.21 2.07 1.55 -2.79 0.00 0.00 177.10 177.74 1ukr h PRO 91 N 8.29 0.00 0.00 0.43 0.13 -2.00 -2.58 132.00 136.27 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 0.10 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 1ukr h SER 93 N 0.00 0.54 0.02 0.00 4.64 -1.89 -3.06 113.55 113.79 1ukr h SER 93 Ca 0.00 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1ukr h SER 93 Cb 0.59 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1ukr h SER 93 CO 0.00 0.39 -2.03 -1.20 -0.87 0.00 0.00 176.83 173.12 1ukr n SER 94 N -4.47 0.02 -4.89 4.97 7.64 -1.14 -5.04 113.62 110.72 1ukr n SER 94 Ca 0.04 0.01 -0.22 0.00 1.01 0.00 0.00 58.87 59.71 1ukr n SER 94 Cb 0.06 1.85 0.06 0.00 -1.01 0.00 0.00 64.21 65.18 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 -3.40 3.89 -0.23 -0.43 0.00 -1.08 -5.03 121.76 115.49 1ukr s ALA 95 Ca -0.08 -1.50 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 1ukr s ALA 95 Cb 0.13 -2.02 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 1ukr s ALA 95 CO 0.90 -0.97 1.50 0.99 0.00 0.00 0.00 175.76 178.18 1ukr s THR 96 N -2.87 3.87 0.37 0.00 2.01 -0.62 -4.83 115.64 113.57 1ukr s THR 96 Ca 0.60 0.99 -0.27 0.00 0.31 0.00 0.00 61.69 63.32 1ukr s THR 96 Cb -0.09 -3.84 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1ukr s THR 96 CO 0.40 -0.32 1.23 -0.55 -0.69 0.00 0.00 174.62 174.69 1ukr s SER 97 N 3.56 6.60 0.00 3.53 0.15 -1.26 -0.76 113.70 125.53 1ukr s SER 97 Ca 0.66 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.80 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 0.26 -0.63 0.00 -0.11 1.20 0.00 0.00 173.24 173.96 1ukr n LEU 98 N 0.37 0.00 0.00 3.45 7.94 -0.14 -4.89 117.00 123.73 1ukr n LEU 98 Ca 0.03 -0.09 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 0.54 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.43 1ukr n GLY 99 N 2.18 0.67 3.01 -3.96 0.00 -1.17 -4.97 105.19 100.95 1ukr n GLY 99 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 -3.30 0.02 0.08 2.61 2.01 -1.26 -1.62 115.64 114.17 1ukr s THR 100 Ca 0.00 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1ukr s THR 100 Cb 0.00 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 1ukr s THR 100 CO 0.00 -0.09 -0.20 0.54 -0.69 0.00 0.00 174.62 174.18 1ukr s VAL 101 N -0.25 1.65 -0.12 3.82 0.11 -0.88 -4.96 120.40 119.77 1ukr s VAL 101 Ca -0.03 -1.39 -0.00 0.00 -2.93 0.00 0.00 61.98 57.62 1ukr s VAL 101 Cb -0.02 -1.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.33 1ukr s VAL 101 CO 0.00 0.02 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.22 1ukr s TYR 102 N -1.03 2.84 -0.20 1.54 5.04 -1.26 -0.73 117.35 123.55 1ukr s TYR 102 Ca 0.06 -0.47 -0.27 0.00 -2.44 0.00 0.00 57.07 53.94 1ukr s TYR 102 Cb -0.09 -1.83 0.10 0.00 0.35 0.00 0.00 41.96 40.48 1ukr s TYR 102 CO 0.03 -0.09 0.85 0.45 -1.34 0.00 0.00 175.55 175.45 1ukr s SER 103 N 0.14 -0.57 -1.68 4.32 0.15 -0.14 -4.98 113.70 110.94 1ukr s SER 103 Ca -0.05 0.91 -0.13 0.00 0.70 0.00 0.00 55.95 57.37 1ukr s SER 103 Cb -0.15 0.85 0.12 0.00 -1.71 0.00 0.00 66.02 65.14 1ukr s SER 103 CO 0.04 -0.33 0.51 0.47 1.20 0.00 0.00 173.24 175.13 1ukr n ASP 104 N 1.74 -1.51 0.00 5.45 8.00 -1.26 -1.75 116.55 127.22 1ukr n ASP 104 Ca -0.14 -1.14 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1ukr n ASP 104 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 41.12 39.44 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 -1.64 0.81 3.51 0.44 0.00 -1.26 -4.97 105.19 102.08 1ukr n GLY 105 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.08 -0.46 0.36 1.61 0.15 -0.72 -5.00 113.70 107.56 1ukr s SER 106 Ca 0.00 -0.18 -0.15 0.00 0.70 0.00 0.00 55.95 56.31 1ukr s SER 106 Cb 0.00 0.62 -0.09 0.00 -1.71 0.00 0.00 66.02 64.84 1ukr s SER 106 CO 0.00 -1.05 0.78 0.42 1.20 0.00 0.00 173.24 174.59 1ukr s THR 107 N -3.80 4.64 -0.08 6.45 -4.23 -1.26 -0.96 115.64 116.40 1ukr s THR 107 Ca 0.04 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 61.57 1ukr s THR 107 Cb -0.02 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.21 1ukr s THR 107 CO -0.08 -0.26 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.30 1ukr s TYR 108 N -2.08 1.57 0.25 3.99 1.51 0.09 -1.06 117.35 121.61 1ukr s TYR 108 Ca 0.55 -0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1ukr s TYR 108 Cb -0.10 -1.15 -0.09 0.00 -0.11 0.00 0.00 41.96 40.51 1ukr s TYR 108 CO 0.19 -0.32 1.26 -0.65 -1.11 0.00 0.00 175.55 174.92 1ukr s GLN 109 N 0.77 4.43 -0.08 -0.62 -0.21 -0.31 -2.07 119.66 121.57 1ukr s GLN 109 Ca -0.12 2.04 0.04 0.00 0.02 0.00 0.00 55.36 57.34 1ukr s GLN 109 Cb -0.16 -3.16 -0.01 0.00 1.00 0.00 0.00 33.01 30.68 1ukr s GLN 109 CO 0.02 -0.14 -0.22 0.08 -2.12 0.00 0.00 175.29 172.91 1ukr s VAL 110 N -0.45 2.28 0.24 1.09 1.01 -0.64 -0.44 120.40 123.49 1ukr s VAL 110 Ca 0.52 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1ukr s VAL 110 Cb -0.36 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1ukr s VAL 110 CO 0.42 0.56 0.37 0.00 0.00 0.00 0.00 175.10 176.46 1ukr s THR 112 N -3.97 0.19 0.16 0.00 -1.32 0.06 -1.28 115.64 109.49 1ukr s THR 112 Ca 0.28 -1.60 -0.18 0.00 -1.21 0.00 0.00 61.69 58.99 1ukr s THR 112 Cb 0.02 -1.34 0.04 0.00 -1.51 0.00 0.00 72.50 69.71 1ukr s THR 112 CO 0.11 -0.88 0.49 -0.62 -2.21 0.00 0.00 174.62 171.51 1ukr s ASP 113 N -2.72 -0.31 -0.11 8.08 2.15 -0.88 -1.59 116.67 121.29 1ukr s ASP 113 Ca 0.04 -0.32 0.03 0.00 0.43 0.00 0.00 52.55 52.72 1ukr s ASP 113 Cb 0.05 0.54 0.01 0.00 -0.30 0.00 0.00 42.92 43.22 1ukr s ASP 113 CO -0.09 -0.96 -0.20 -0.89 -0.17 0.00 0.00 175.17 172.86 1ukr s THR 114 N -3.82 1.85 -0.21 1.71 2.01 -1.26 -0.82 115.64 115.11 1ukr s THR 114 Ca 0.05 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1ukr s THR 114 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.84 1ukr s THR 114 CO -0.08 0.51 0.05 -0.13 -0.69 0.00 0.00 174.62 174.27 1ukr s ARG 115 N 0.66 3.77 -0.10 4.92 1.81 -0.39 -5.00 118.95 124.61 1ukr s ARG 115 Ca -0.12 -0.44 -0.00 0.00 -1.72 0.00 0.00 55.73 53.45 1ukr s ARG 115 Cb -0.16 -3.21 -0.02 0.00 -0.45 0.00 0.00 34.95 31.11 1ukr s ARG 115 CO 0.03 0.06 -0.09 0.95 -0.68 0.00 0.00 175.30 175.56 1ukr s THR 116 N 0.93 3.43 -1.40 0.02 -4.23 -1.26 -1.20 115.64 111.93 1ukr s THR 116 Ca 0.03 -0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1ukr s THR 116 Cb -0.14 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1ukr s THR 116 CO 0.02 0.55 0.38 0.59 -0.54 0.00 0.00 174.62 175.62 1ukr n ASN 117 N 2.95 -0.70 -4.54 3.99 3.02 -0.85 -4.90 115.26 114.22 1ukr n ASN 117 Ca -0.18 -1.08 -0.25 0.00 -0.03 0.00 0.00 54.58 53.04 1ukr n ASN 117 Cb 0.53 -2.69 -0.10 0.00 -0.61 0.00 0.00 39.78 36.90 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 -6.73 1.85 0.22 3.52 2.02 -0.57 -4.70 118.70 114.32 1ukr s GLU 118 Ca 0.07 -1.83 -0.32 0.00 0.02 0.00 0.00 54.97 52.92 1ukr s GLU 118 Cb -0.03 -1.79 -0.13 0.00 0.10 0.00 0.00 34.13 32.28 1ukr s GLU 118 CO 0.91 0.21 1.56 -2.30 0.02 0.00 0.00 175.26 175.67 1ukr n PRO 119 N -0.78 2.38 -4.08 0.39 -0.02 -1.26 -1.18 135.00 130.45 1ukr n PRO 119 Ca -0.05 0.85 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1ukr n PRO 119 Cb 0.62 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.69 0.69 0.00 2.55 1.04 -0.36 -4.89 113.70 113.41 1ukr s SER 120 Ca 0.71 -1.38 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1ukr s SER 120 Cb -0.59 0.63 0.22 0.00 0.10 0.00 0.00 66.02 66.38 1ukr s SER 120 CO 0.43 -1.24 0.86 2.30 0.98 0.00 0.00 173.24 176.57 1ukr n ILE 121 N -0.51 0.60 -0.15 -1.02 -5.35 -1.26 -1.34 119.36 110.33 1ukr n ILE 121 Ca 0.01 0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.64 1ukr n ILE 121 Cb 0.62 -1.08 0.01 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 -1.17 0.93 0.00 7.28 -2.24 -1.26 -5.08 114.28 112.74 1ukr n THR 122 Ca 0.02 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.86 1ukr n THR 122 Cb 0.02 0.52 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 1.53 2.84 3.38 0.00 -0.45 -4.90 105.19 107.10 1ukr n GLY 123 Ca 0.01 -0.85 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 0.37 0.19 2.61 2.01 -1.26 -1.22 115.64 118.33 1ukr s THR 124 Ca 0.00 0.01 -0.22 0.00 0.31 0.00 0.00 61.69 61.79 1ukr s THR 124 Cb 0.00 -0.46 0.08 0.00 0.01 0.00 0.00 72.50 72.13 1ukr s THR 124 CO 0.00 0.21 1.04 -0.94 -0.69 0.00 0.00 174.62 174.24 1ukr s SER 125 N 1.23 0.00 -0.19 3.53 1.04 -0.32 -4.86 113.70 114.14 1ukr s SER 125 Ca -0.06 -0.68 -0.10 0.00 0.48 0.00 0.00 55.95 55.58 1ukr s SER 125 Cb -0.14 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1ukr s SER 125 CO -0.02 -0.99 0.16 -0.89 0.98 0.00 0.00 173.24 172.48 1ukr s THR 126 N -2.17 5.40 0.17 2.02 2.01 -1.26 -1.51 115.64 120.30 1ukr s THR 126 Ca 0.22 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.36 1ukr s THR 126 Cb -0.03 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.00 1ukr s THR 126 CO 0.05 0.45 0.36 0.72 -0.69 0.00 0.00 174.62 175.51 1ukr s PHE 127 N 0.26 0.20 0.01 4.92 -0.71 -0.34 -4.91 117.98 117.40 1ukr s PHE 127 Ca 0.10 -0.56 -0.03 0.00 -1.04 0.00 0.00 56.93 55.40 1ukr s PHE 127 Cb -0.11 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 1ukr s PHE 127 CO -0.00 -0.77 0.20 0.99 -1.34 0.00 0.00 175.22 174.30 1ukr s THR 128 N -3.92 5.41 -0.05 -4.49 2.01 -0.97 -1.26 115.64 112.36 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 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1ukr s THR 128 CO -0.02 0.30 -0.15 -1.10 -0.69 0.00 0.00 174.62 172.96 1ukr s GLN 129 N -2.00 2.50 -0.06 4.92 -0.21 0.00 -0.92 119.66 123.88 1ukr s GLN 129 Ca 0.29 -0.72 0.06 0.00 0.02 0.00 0.00 55.36 55.00 1ukr s GLN 129 Cb -0.13 -2.35 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 1ukr s GLN 129 CO 0.20 0.60 -0.24 0.71 -2.12 0.00 0.00 175.29 174.44 1ukr s TYR 130 N -0.68 2.33 -0.02 0.91 2.02 -0.73 -2.06 117.35 119.11 1ukr s TYR 130 Ca 0.10 -0.72 0.03 0.00 -0.37 0.00 0.00 57.07 56.11 1ukr s TYR 130 Cb -0.11 -1.54 -0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1ukr s TYR 130 CO 0.01 -0.23 -0.12 -0.06 -1.57 0.00 0.00 175.55 173.57 1ukr s PHE 131 N -0.07 1.18 -0.23 2.71 0.40 -0.40 -1.26 117.98 120.31 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 -0.80 0.03 0.00 0.51 0.00 0.00 43.02 42.62 1ukr s PHE 131 CO 0.04 -0.08 -0.12 -1.12 0.70 0.00 0.00 175.22 174.64 1ukr s SER 132 N -0.02 3.94 -0.23 1.36 0.01 -0.71 -1.53 113.70 116.52 1ukr s SER 132 Ca -0.00 -0.89 -0.04 0.00 1.31 0.00 0.00 55.95 56.33 1ukr s SER 132 Cb -0.08 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.56 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 1.27 3.50 0.14 3.43 1.01 0.42 -0.41 120.40 129.77 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 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 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 1.49 4.27 0.08 2.72 3.52 -0.32 -1.16 118.95 129.55 1ukr s ARG 134 Ca 0.05 2.23 -0.10 0.00 -0.13 0.00 0.00 55.73 57.78 1ukr s ARG 134 Cb -0.15 -3.20 -0.23 0.00 -1.56 0.00 0.00 34.95 29.81 1ukr s ARG 134 CO -0.02 -0.52 1.17 0.93 -0.81 0.00 0.00 175.30 176.05 1ukr h GLU 135 N 6.73 0.49 -3.71 5.12 5.08 -1.44 -3.36 114.58 123.48 1ukr h GLU 135 Ca -0.42 -0.65 -0.75 0.00 -1.00 0.00 0.00 59.36 56.54 1ukr h GLU 135 Cb 1.21 0.21 -0.30 0.00 0.50 0.00 0.00 28.75 30.37 1ukr h GLU 135 CO 0.89 1.27 -0.06 -1.12 -1.00 0.00 0.00 179.01 178.98 1ukr s SER 136 N -7.27 6.20 0.60 1.42 0.01 -1.26 -5.05 113.70 108.34 1ukr s SER 136 Ca -0.07 -2.82 -0.20 0.00 1.31 0.00 0.00 55.95 54.17 1ukr s SER 136 Cb 0.07 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.20 1ukr s SER 136 CO 0.90 -0.48 1.31 0.42 0.41 0.00 0.00 173.24 175.81 1ukr s THR 137 N -0.02 2.09 0.21 1.44 -4.23 -1.26 -5.00 115.64 108.88 1ukr s THR 137 Ca 0.18 0.06 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 1ukr s THR 137 Cb -0.14 -3.03 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 1ukr s THR 137 CO -0.07 -0.01 0.25 0.00 -0.54 0.00 0.00 174.62 174.25 1ukr s ARG 138 N -3.19 1.30 -0.02 3.99 1.04 -0.83 -5.01 118.95 116.23 1ukr s ARG 138 Ca 0.78 -1.48 0.03 0.00 -1.04 0.00 0.00 55.73 54.03 1ukr s ARG 138 Cb -0.38 0.34 0.05 0.00 -2.04 0.00 0.00 34.95 32.92 1ukr s ARG 138 CO 0.42 -0.47 0.93 0.25 -0.04 0.00 0.00 175.30 176.39 1ukr n THR 139 N -0.30 0.90 -3.65 4.99 -2.24 -1.26 -3.99 114.28 108.74 1ukr n THR 139 Ca 0.00 -0.97 -0.14 0.00 -2.27 0.00 0.00 64.05 60.68 1ukr n THR 139 Cb 0.64 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.14 -0.34 0.00 3.42 1.04 -1.26 -0.09 113.70 115.33 1ukr s SER 140 Ca 0.06 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.60 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 0.00 173.24 174.20 1ukr n GLY 141 N 0.64 0.09 3.48 7.32 0.00 -0.76 -5.01 105.19 110.96 1ukr n GLY 141 Ca -0.19 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.64 3.00 -0.28 2.61 2.01 -1.26 -1.58 115.64 117.50 1ukr s THR 142 Ca 0.00 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1ukr s THR 142 Cb 0.00 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.36 1ukr s THR 142 CO 0.00 0.51 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.70 1ukr s VAL 143 N -0.80 2.67 -1.05 3.82 1.01 -0.07 -4.82 120.40 121.16 1ukr s VAL 143 Ca 0.13 -1.43 -0.19 0.00 0.00 0.00 0.00 61.98 60.49 1ukr s VAL 143 Cb -0.11 -2.52 0.11 0.00 0.00 0.00 0.00 36.38 33.86 1ukr s VAL 143 CO 0.02 -0.04 1.34 -0.89 0.00 0.00 0.00 175.10 175.53 1ukr s THR 144 N 1.21 4.52 0.33 3.92 2.01 -1.26 -1.54 115.64 124.83 1ukr s THR 144 Ca -0.06 -1.62 0.09 0.00 0.31 0.00 0.00 61.69 60.40 1ukr s THR 144 Cb -0.19 -4.92 0.32 0.00 0.01 0.00 0.00 72.50 67.71 1ukr s THR 144 CO -0.03 -1.70 1.81 0.58 -0.69 0.00 0.00 174.62 174.59 1ukr h VAL 145 N 5.81 0.73 -0.67 3.82 2.07 -1.77 -1.81 116.25 124.43 1ukr h VAL 145 Ca 0.23 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1ukr h VAL 145 Cb 0.97 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1ukr h VAL 145 CO 1.25 0.13 0.45 0.00 0.02 0.00 0.00 177.57 179.42 1ukr h ALA 146 N 1.62 1.96 -0.15 1.67 0.00 -1.84 -1.59 119.26 120.94 1ukr h ALA 146 Ca 0.54 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.37 1ukr h ALA 146 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ukr h ALA 146 CO -0.31 -0.11 -0.24 -0.91 0.00 0.00 0.00 179.25 177.68 1ukr h ASN 147 N 0.50 0.25 0.07 0.00 -0.26 -1.68 -1.28 115.58 113.19 1ukr h ASN 147 Ca 0.31 -0.07 -0.16 0.00 -0.56 0.00 0.00 56.30 55.82 1ukr h ASN 147 Cb 0.56 -0.07 0.02 0.00 -1.06 0.00 0.00 38.32 37.77 1ukr h ASN 147 CO -0.10 0.51 -0.69 0.45 -1.06 0.00 0.00 177.43 176.54 1ukr h HIS 148 N 0.24 0.55 -0.88 1.19 3.86 -1.45 -2.91 115.15 115.73 1ukr h HIS 148 Ca 0.04 -0.35 -0.01 0.00 -1.16 0.00 0.00 60.37 58.88 1ukr h HIS 148 Cb 0.56 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1ukr h HIS 148 CO 0.01 1.22 0.50 0.74 0.86 0.00 0.00 177.93 181.26 1ukr h PHE 149 N -0.28 1.20 -0.19 2.45 -1.00 -1.14 -1.14 116.94 116.84 1ukr h PHE 149 Ca -0.11 -0.02 -0.13 0.00 2.81 0.00 0.00 57.97 60.53 1ukr h PHE 149 Cb 1.47 -0.39 -0.01 0.00 3.61 0.00 0.00 35.95 40.63 1ukr h PHE 149 CO 0.18 0.82 -0.42 -0.91 -1.61 0.00 0.00 178.31 176.37 1ukr h ASN 150 N 1.23 0.46 -0.05 2.17 -0.26 -1.33 -1.23 115.58 116.57 1ukr h ASN 150 Ca 0.31 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1ukr h ASN 150 Cb 0.00 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 37.13 1ukr h ASN 150 CO -0.05 0.83 -0.06 0.15 -1.06 0.00 0.00 177.43 177.24 1ukr h PHE 151 N 0.36 0.16 -0.11 1.19 3.57 -1.24 -3.19 116.94 117.69 1ukr h PHE 151 Ca 0.03 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1ukr h PHE 151 Cb 0.89 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1ukr h PHE 151 CO 0.03 0.61 -0.07 -1.49 -2.23 0.00 0.00 178.31 175.16 1ukr h TRP 152 N -0.34 0.16 0.00 0.41 6.55 -1.19 -2.16 115.95 119.38 1ukr h TRP 152 Ca 0.01 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.83 1ukr h TRP 152 Cb 0.59 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 28.84 1ukr h TRP 152 CO 0.10 0.23 -0.02 0.00 -1.05 0.00 0.00 178.44 177.70 1ukr h ALA 153 N 1.79 1.26 0.00 1.49 0.00 -1.20 0.20 119.26 122.79 1ukr h ALA 153 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ukr h ALA 153 Cb 0.22 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ukr h ALA 153 CO 0.01 0.03 -0.04 0.45 0.00 0.00 0.00 179.25 179.70 1ukr h HIS 154 N 0.00 0.00 -0.23 0.00 3.86 -1.47 -3.18 115.15 114.14 1ukr h HIS 154 Ca -0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1ukr h HIS 154 Cb 0.09 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.51 1ukr h HIS 154 CO 0.00 0.04 -0.16 0.72 0.86 0.00 0.00 177.93 179.39 1ukr n HIS 155 N -3.16 0.72 -0.09 2.45 -0.00 0.01 -4.96 115.22 110.19 1ukr n HIS 155 Ca 0.00 -1.43 0.00 0.00 -0.00 0.00 0.00 57.72 56.30 1ukr n HIS 155 Cb 0.32 -0.38 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 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 -1.08 0.60 3.71 -1.41 0.00 -1.17 -5.05 105.19 100.78 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 -2.29 2.83 0.47 1.61 5.36 -0.94 -4.89 117.98 120.13 1ukr s PHE 157 Ca 0.00 0.53 0.15 0.00 -0.96 0.00 0.00 56.93 56.64 1ukr s PHE 157 Cb 0.00 -3.93 1.12 0.00 -0.34 0.00 0.00 43.02 39.87 1ukr s PHE 157 CO 0.00 -3.53 2.05 0.78 -1.46 0.00 0.00 175.22 173.06 1ukr h GLY 158 N 7.47 0.32 -4.22 13.12 0.00 -1.88 -3.38 103.07 114.50 1ukr h GLY 158 Ca -0.43 -0.10 -0.23 0.00 0.00 0.00 0.00 47.33 46.57 1ukr h GLY 158 CO 0.92 0.08 -0.31 -2.01 0.00 0.00 0.00 176.54 175.22 1ukr n ASN 159 N -4.48 -3.48 -3.60 0.19 5.15 -1.26 -4.85 115.26 102.94 1ukr n ASN 159 Ca 0.04 0.16 -0.03 0.00 -0.60 0.00 0.00 54.58 54.15 1ukr n ASN 159 Cb 0.25 -2.96 -0.00 0.00 -0.53 0.00 0.00 39.78 36.54 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 -2.12 -0.11 -1.13 1.20 1.04 -1.26 -5.02 113.70 106.30 1ukr s SER 160 Ca 0.06 -0.50 -0.10 0.00 0.48 0.00 0.00 55.95 55.88 1ukr s SER 160 Cb -0.03 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1ukr s SER 160 CO 0.07 -0.92 0.84 -0.67 0.98 0.00 0.00 173.24 173.54 1ukr n ASP 161 N -0.74 -5.01 -4.74 7.02 2.03 -1.26 -4.69 116.55 109.16 1ukr n ASP 161 Ca -0.05 -0.84 -0.40 0.00 0.52 0.00 0.00 54.79 54.01 1ukr n ASP 161 Cb 0.60 -4.33 -0.05 0.00 -0.72 0.00 0.00 41.12 36.62 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 3.87 0.00 -0.67 0.08 -1.26 -0.93 117.98 115.61 1ukr s PHE 162 Ca 0.37 1.84 0.00 0.00 0.12 0.00 0.00 56.93 59.26 1ukr s PHE 162 Cb -0.09 -3.05 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 1ukr s PHE 162 CO 0.80 0.20 0.00 -1.71 -0.10 0.00 0.00 175.22 174.41 1ukr n ASN 163 N 1.84 0.00 -4.81 1.36 2.85 -0.12 -4.43 115.26 111.95 1ukr n ASN 163 Ca -0.00 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.16 1ukr n ASN 163 Cb 0.47 0.00 0.07 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 3.72 2.94 -0.07 1.20 -0.85 -1.11 -0.47 117.35 122.72 1ukr s TYR 164 Ca 0.00 1.26 -0.03 0.00 -0.52 0.00 0.00 57.07 57.78 1ukr s TYR 164 Cb 0.00 -3.02 0.04 0.00 0.38 0.00 0.00 41.96 39.35 1ukr s TYR 164 CO 0.00 -1.55 0.16 -1.14 -1.52 0.00 0.00 175.55 171.49 1ukr s GLN 165 N -5.11 0.11 0.09 -3.49 0.74 -0.64 -2.19 119.66 109.17 1ukr s GLN 165 Ca 0.60 0.37 -0.01 0.00 0.05 0.00 0.00 55.36 56.36 1ukr s GLN 165 Cb -0.14 -0.14 -0.04 0.00 1.10 0.00 0.00 33.01 33.79 1ukr s GLN 165 CO 0.55 -0.15 0.01 0.14 -0.55 0.00 0.00 175.29 175.29 1ukr s VAL 166 N 1.04 0.16 -0.22 1.34 -7.23 0.17 -0.94 120.40 114.72 1ukr s VAL 166 Ca -0.08 -1.85 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 1ukr s VAL 166 Cb -0.10 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1ukr s VAL 166 CO -0.05 -0.74 0.43 -0.69 -0.31 0.00 0.00 175.10 173.73 1ukr s VAL 167 N -3.98 5.17 0.15 1.32 1.01 -0.54 -0.91 120.40 122.61 1ukr s VAL 167 Ca 0.15 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.93 1ukr s VAL 167 Cb 0.08 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1ukr s VAL 167 CO -0.04 0.21 -0.11 0.00 0.00 0.00 0.00 175.10 175.15 1ukr s ALA 168 N 1.57 1.50 -0.10 5.51 0.00 0.01 -2.60 121.76 127.65 1ukr s ALA 168 Ca 0.20 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.73 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 -0.21 0.08 0.00 0.00 0.00 175.76 175.67 1ukr s VAL 169 N -3.01 1.89 0.08 0.00 1.01 -0.30 -1.57 120.40 118.50 1ukr s VAL 169 Ca 0.15 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.30 1ukr s VAL 169 Cb 0.00 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1ukr s VAL 169 CO 0.02 0.52 -0.21 -0.70 0.00 0.00 0.00 175.10 174.73 1ukr s GLU 170 N 0.53 1.21 -0.07 2.72 2.12 -0.81 -1.60 118.70 122.80 1ukr s GLU 170 Ca -0.15 -1.08 -0.30 0.00 0.36 0.00 0.00 54.97 53.81 1ukr s GLU 170 Cb -0.17 -1.42 0.07 0.00 0.26 0.00 0.00 34.13 32.87 1ukr s GLU 170 CO 0.05 0.34 0.66 0.00 -0.54 0.00 0.00 175.26 175.78 1ukr s ALA 171 N -1.03 -1.72 0.00 6.30 0.00 -1.01 -1.14 121.76 123.16 1ukr s ALA 171 Ca 0.07 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1ukr s ALA 171 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.94 1ukr s ALA 171 CO 0.03 -0.36 0.41 -2.67 0.00 0.00 0.00 175.76 173.17 1ukr n TRP 172 N 1.07 0.00 -3.54 0.00 2.14 -0.56 -1.40 117.44 115.16 1ukr n TRP 172 Ca -0.19 -0.07 -0.08 0.00 2.07 0.00 0.00 57.50 59.23 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 -0.35 0.06 -0.67 1.04 -1.25 -3.44 113.70 108.94 1ukr s SER 173 Ca 0.00 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.36 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 -0.30 -2.06 3.29 7.32 0.00 -1.22 -2.64 105.19 109.59 1ukr n GLY 174 Ca -0.09 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.07 1.65 0.00 4.61 0.00 -1.26 -1.90 121.76 123.79 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 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1ukr s ALA 175 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1ukr n GLY 176 N -0.32 -1.14 3.32 0.00 0.00 -1.08 -4.52 105.19 101.45 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 -0.19 -0.09 1.61 1.04 -0.63 -0.87 113.70 110.56 1ukr s SER 177 Ca 0.00 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.86 1ukr s SER 177 Cb 0.00 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.63 1ukr s SER 177 CO 0.00 -0.86 0.46 0.00 0.98 0.00 0.00 173.24 173.82 1ukr s ALA 178 N -3.82 -1.16 -0.15 5.32 0.00 0.23 -0.64 121.76 121.54 1ukr s ALA 178 Ca 0.04 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 1ukr s ALA 178 Cb 0.02 -0.30 0.08 0.00 0.00 0.00 0.00 23.12 22.91 1ukr s ALA 178 CO -0.11 -0.27 0.25 0.45 0.00 0.00 0.00 175.76 176.08 1ukr s SER 179 N -0.63 0.67 0.04 0.00 0.15 -0.23 -0.87 113.70 112.83 1ukr s SER 179 Ca -0.07 0.31 0.08 0.00 0.70 0.00 0.00 55.95 56.97 1ukr s SER 179 Cb -0.03 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 1ukr s SER 179 CO 0.04 -0.27 -0.23 -0.69 1.20 0.00 0.00 173.24 173.29 1ukr s VAL 180 N 2.39 1.85 -0.06 4.45 1.01 -0.18 -1.20 120.40 128.66 1ukr s VAL 180 Ca 0.04 -1.23 0.04 0.00 0.00 0.00 0.00 61.98 60.82 1ukr s VAL 180 Cb -0.13 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.66 1ukr s VAL 180 CO -0.10 0.31 -0.17 -0.89 0.00 0.00 0.00 175.10 174.25 1ukr s THR 181 N -0.76 1.43 -0.21 3.92 2.01 0.10 -1.58 115.64 120.55 1ukr s THR 181 Ca 0.09 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1ukr s THR 181 Cb -0.09 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.15 1ukr s THR 181 CO 0.02 0.42 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.72 1ukr s ILE 182 N 0.27 3.83 -2.85 1.82 1.01 0.28 -1.12 121.20 124.44 1ukr s ILE 182 Ca -0.09 -0.35 0.25 0.00 0.00 0.00 0.00 60.65 60.46 1ukr s ILE 182 Cb -0.14 -2.73 0.30 0.00 0.01 0.00 0.00 42.46 39.90 1ukr s ILE 182 CO 0.04 0.42 1.41 -1.20 0.00 0.00 0.00 174.94 175.61