#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ukj n HIS 1502N 0.00 0.68 0.00 2.03 8.25 -1.26 -4.52 115.22 120.40 1ukj n HIS 1502Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1ukj n HIS 1502Cb 0.00 -1.19 0.00 0.00 1.12 0.00 0.00 29.99 29.92 1ukj n HIS 1502CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukj n GLY 1503N 3.51 -1.86 0.00 -1.41 0.00 -1.26 -3.93 105.19 100.25 1ukj n GLY 1503Ca 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1ukj n GLY 1503CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ukj n SER 1504N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.45 113.62 112.40 1ukj n SER 1504Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ukj n SER 1504Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ukj n SER 1504CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1ukj n ASN 1505N 0.00 -1.30 0.00 -3.46 3.02 -1.26 -1.56 115.26 110.70 1ukj n ASN 1505Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ukj n ASN 1505Cb 0.00 -2.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.60 1ukj n ASN 1505CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ukj n LYS 1506N -1.38 -0.76 -0.05 3.52 4.76 -1.26 -4.90 118.16 118.09 1ukj n LYS 1506Ca 0.00 0.19 -0.01 0.00 -2.87 0.00 0.00 58.31 55.62 1ukj n LYS 1506Cb 0.10 -3.89 -0.00 0.00 -1.84 0.00 0.00 35.03 29.40 1ukj n LYS 1506CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1ukj h LEU 1507N 0.00 0.00 -9.69 -0.35 -0.00 -1.62 -3.46 115.31 100.19 1ukj h LEU 1507Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 57.88 57.30 1ukj h LEU 1507Cb 0.38 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.18 1ukj h LEU 1507CO 0.00 0.50 0.20 -2.65 -0.00 0.00 0.00 178.44 176.49 1ukj n PRO 1508N -4.41 1.37 -0.86 0.17 -0.02 -1.25 -4.91 135.00 125.09 1ukj n PRO 1508Ca -0.02 0.50 -0.31 0.00 -2.02 0.00 0.00 63.50 61.65 1ukj n PRO 1508Cb 0.06 -2.11 0.15 0.00 -0.02 0.00 0.00 33.50 31.58 1ukj n PRO 1508CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ukj s GLY 1509N -0.78 1.67 0.24 -1.23 0.00 -1.26 -4.60 107.32 101.36 1ukj s GLY 1509Ca 0.64 0.43 -0.07 0.00 0.00 0.00 0.00 44.72 45.73 1ukj s GLY 1509CO 0.56 0.85 1.67 -2.75 0.00 0.00 0.00 173.10 173.42 1ukj h PHE 1510N -1.70 0.12 0.00 1.90 3.57 -1.96 0.34 116.94 119.21 1ukj h PHE 1510Ca -0.45 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.03 1ukj h PHE 1510Cb 1.26 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1ukj h PHE 1510CO 0.51 -0.15 -0.32 0.00 -2.23 0.00 0.00 178.31 176.12 1ukj h ALA 1511N 1.63 1.36 0.30 2.41 0.00 -1.97 0.61 119.26 123.59 1ukj h ALA 1511Ca 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ukj h ALA 1511Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ukj h ALA 1511CO -0.56 0.39 -0.14 1.15 0.00 0.00 0.00 179.25 180.10 1ukj h THR 1512N 0.00 0.29 -0.62 0.00 2.02 -1.36 -3.27 112.91 109.98 1ukj h THR 1512Ca -0.00 -0.80 0.11 0.00 0.77 0.00 0.00 66.41 66.49 1ukj h THR 1512Cb 0.60 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1ukj h THR 1512CO 0.04 0.07 0.42 0.03 0.37 0.00 0.00 175.52 176.45 1ukj h ARG 1513N -1.04 0.35 0.00 6.66 3.08 -0.94 -0.15 114.38 122.34 1ukj h ARG 1513Ca -0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ukj h ARG 1513Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1ukj h ARG 1513CO 0.07 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.20 1ukj n ALA 1514N -2.53 2.61 -0.01 0.04 0.00 0.20 -1.53 120.51 119.29 1ukj n ALA 1514Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 1ukj n ALA 1514Cb 0.43 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1ukj n ALA 1514CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1ukj n ILE 1515N -1.00 0.12 0.05 0.00 5.41 -0.21 -4.08 119.36 119.66 1ukj n ILE 1515Ca 0.22 -0.06 0.01 0.00 1.00 0.00 0.00 62.75 63.92 1ukj n ILE 1515Cb 0.10 -0.71 -0.01 0.00 -0.71 0.00 0.00 39.64 38.32 1ukj n ILE 1515CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1ukj n HIS 1516N -2.39 0.00 -1.67 1.39 8.25 -0.40 -5.00 115.22 115.40 1ukj n HIS 1516Ca -0.03 0.00 -0.53 0.00 -0.26 0.00 0.00 57.72 56.89 1ukj n HIS 1516Cb 0.55 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.59 1ukj n HIS 1516CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ukj n HIS 1517N -0.94 2.01 -1.63 4.41 -0.00 -0.58 -1.77 115.22 116.72 1ukj n HIS 1517Ca 0.00 0.42 -0.11 0.00 0.46 0.00 0.00 57.72 58.50 1ukj n HIS 1517Cb 0.02 -2.48 -0.03 0.00 -0.12 0.00 0.00 29.99 27.38 1ukj n HIS 1517CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ukj n GLY 1518N 3.79 0.74 2.79 1.57 0.00 -1.26 -4.60 105.19 108.22 1ukj n GLY 1518Ca 0.23 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1ukj n GLY 1518CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ukj s TYR 1519N -2.44 -0.02 -0.24 1.61 6.14 -0.73 -4.98 117.35 116.69 1ukj s TYR 1519Ca 0.00 0.26 -0.00 0.00 0.64 0.00 0.00 57.07 57.96 1ukj s TYR 1519Cb 0.00 -0.24 0.07 0.00 0.42 0.00 0.00 41.96 42.21 1ukj s TYR 1519CO 0.00 -0.13 0.00 0.34 0.64 0.00 0.00 175.55 176.40 1ukj s ASP 1520N 1.34 3.65 0.31 4.32 -1.08 -1.26 -4.72 116.67 119.23 1ukj s ASP 1520Ca -0.06 -1.20 0.07 0.00 -0.52 0.00 0.00 52.55 50.83 1ukj s ASP 1520Cb -0.12 -0.98 0.88 0.00 -1.46 0.00 0.00 42.92 41.24 1ukj s ASP 1520CO -0.04 -0.29 1.63 -0.65 0.52 0.00 0.00 175.17 176.33 1ukj h PRO 1521N 8.04 0.16 -1.07 4.34 0.11 -1.89 0.26 132.00 141.95 1ukj h PRO 1521Ca -0.16 -0.01 0.30 0.00 0.11 0.00 0.00 66.00 66.24 1ukj h PRO 1521Cb 1.07 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.03 1ukj h PRO 1521CO 0.41 0.11 0.67 0.37 -0.21 0.00 0.00 178.00 179.34 1ukj h GLN 1522N 0.17 0.36 0.00 1.05 4.15 -1.90 0.90 115.11 119.83 1ukj h GLN 1522Ca 0.64 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 60.04 1ukj h GLN 1522Cb 1.40 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1ukj h GLN 1522CO -0.71 0.24 0.00 -0.25 -1.93 0.00 0.00 178.83 176.17 1ukj n ASP 1523N -4.75 0.00 -2.81 -0.69 8.00 0.91 -3.93 116.55 113.27 1ukj n ASP 1523Ca 0.29 -0.21 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 1ukj n ASP 1523Cb 0.96 -0.26 -0.00 0.00 -0.02 0.00 0.00 41.12 41.80 1ukj n ASP 1523CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ukj n HIS 1524N -1.26 1.60 -1.35 1.24 8.25 0.27 -4.93 115.22 119.05 1ukj n HIS 1524Ca 0.15 -3.29 -0.12 0.00 -0.26 0.00 0.00 57.72 54.20 1ukj n HIS 1524Cb 0.22 -0.35 -0.05 0.00 1.12 0.00 0.00 29.99 30.93 1ukj n HIS 1524CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukj n GLY 1525N -0.06 1.24 2.37 -1.41 0.00 -1.19 -2.56 105.19 103.58 1ukj n GLY 1525Ca 0.21 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1ukj n GLY 1525CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukj n GLY 1526N -0.56 -0.10 3.63 -0.02 0.00 0.12 -4.97 105.19 103.30 1ukj n GLY 1526Ca -0.12 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1ukj n GLY 1526CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj s ALA 1527N -2.77 3.59 0.12 4.61 0.00 -1.06 -4.87 121.76 121.39 1ukj s ALA 1527Ca 0.09 -0.20 -0.33 0.00 0.00 0.00 0.00 51.96 51.52 1ukj s ALA 1527Cb -0.04 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.60 1ukj s ALA 1527CO 0.11 -1.11 1.55 1.25 0.00 0.00 0.00 175.76 177.56 1ukj h LEU 1528N 9.43 -1.75 -9.43 0.00 6.46 -1.92 -3.38 115.31 114.71 1ukj h LEU 1528Ca -0.23 0.22 -0.61 0.00 -0.12 0.00 0.00 57.88 57.14 1ukj h LEU 1528Cb 1.09 0.70 -0.09 0.00 -0.73 0.00 0.00 40.66 41.63 1ukj h LEU 1528CO 0.91 -0.45 -0.38 0.54 -0.62 0.00 0.00 178.44 178.44 1ukj s VAL 1529N -5.70 5.33 0.27 1.05 0.11 -1.26 -4.85 120.40 115.35 1ukj s VAL 1529Ca -0.15 0.44 -0.30 0.00 -2.93 0.00 0.00 61.98 59.04 1ukj s VAL 1529Cb 0.08 -3.56 -0.14 0.00 -1.53 0.00 0.00 36.38 31.24 1ukj s VAL 1529CO 0.62 0.48 1.22 -0.81 -3.33 0.00 0.00 175.10 173.28 1ukj n PRO 1530N 2.91 1.70 -2.27 1.54 -0.04 -1.26 -4.93 135.00 132.66 1ukj n PRO 1530Ca -0.15 0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 63.52 1ukj n PRO 1530Cb 0.53 -2.13 -0.02 0.00 -0.04 0.00 0.00 33.50 31.84 1ukj n PRO 1530CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1ukj s PRO 1531N -1.07 4.14 -0.29 0.54 0.04 -1.26 -4.95 135.00 132.15 1ukj s PRO 1531Ca 0.63 1.91 -0.24 0.00 0.04 0.00 0.00 61.00 63.34 1ukj s PRO 1531Cb -0.68 -2.78 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 1ukj s PRO 1531CO 0.56 -0.26 0.80 0.54 0.04 0.00 0.00 177.00 178.68 1ukj s VAL 1532N -1.34 4.80 -1.44 -0.36 0.11 -1.26 -4.86 120.40 116.06 1ukj s VAL 1532Ca 0.55 1.30 -0.12 0.00 -2.93 0.00 0.00 61.98 60.78 1ukj s VAL 1532Cb -0.32 -4.14 0.05 0.00 -1.53 0.00 0.00 36.38 30.44 1ukj s VAL 1532CO 0.41 -0.20 2.29 -1.22 -3.33 0.00 0.00 175.10 173.05 1ukj n TYR 1533N 6.15 3.13 -2.31 1.54 4.02 -1.26 -4.86 117.16 123.57 1ukj n TYR 1533Ca 0.04 -2.94 -0.42 0.00 -0.01 0.00 0.00 57.90 54.57 1ukj n TYR 1533Cb 0.48 -2.35 -0.00 0.00 -0.02 0.00 0.00 39.34 37.44 1ukj n TYR 1533CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1ukj n GLN 1534N 4.83 3.02 -3.84 -0.72 -0.06 -1.26 -4.82 117.38 114.53 1ukj n GLN 1534Ca 0.55 -3.05 -0.12 0.00 -2.00 0.00 0.00 57.00 52.38 1ukj n GLN 1534Cb 0.35 -3.44 -0.12 0.00 -4.06 0.00 0.00 30.24 22.97 1ukj n GLN 1534CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1ukj s THR 1535N 4.24 0.03 -0.01 1.69 -1.32 -1.26 -5.07 115.64 113.94 1ukj s THR 1535Ca 0.53 -0.26 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 1ukj s THR 1535Cb 0.07 -0.29 -0.26 0.00 -1.51 0.00 0.00 72.50 70.50 1ukj s THR 1535CO 0.04 -0.14 0.81 0.00 -2.21 0.00 0.00 174.62 173.12 1ukj h ALA 1536N 5.33 0.40 -2.73 11.08 0.00 -1.98 -3.42 119.26 127.95 1ukj h ALA 1536Ca -0.27 -1.19 -0.52 0.00 0.00 0.00 0.00 54.91 52.93 1ukj h ALA 1536Cb 1.20 0.32 -0.17 0.00 0.00 0.00 0.00 17.79 19.14 1ukj h ALA 1536CO 0.41 1.26 -0.77 -0.08 0.00 0.00 0.00 179.25 180.07 1ukj s THR 1537N -2.62 1.87 -0.05 0.00 -1.32 -1.26 -1.45 115.64 110.81 1ukj s THR 1537Ca -0.08 -2.02 0.04 0.00 -1.21 0.00 0.00 61.69 58.41 1ukj s THR 1537Cb 0.07 -1.93 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 1ukj s THR 1537CO 0.84 -0.37 -0.17 -0.36 -2.21 0.00 0.00 174.62 172.35 1ukj s PHE 1538N -2.26 1.73 0.43 9.09 0.40 -0.95 -4.96 117.98 121.47 1ukj s PHE 1538Ca 0.18 -0.55 -0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1ukj s PHE 1538Cb -0.05 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 1ukj s PHE 1538CO 0.07 -0.21 0.70 0.95 0.70 0.00 0.00 175.22 177.43 1ukj s THR 1539N 0.20 4.90 0.06 0.64 -4.23 -1.26 -4.44 115.64 111.51 1ukj s THR 1539Ca -0.08 -0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1ukj s THR 1539Cb -0.13 -3.84 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 1ukj s THR 1539CO 0.03 -0.71 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.02 1ukj s PHE 1540N -2.59 2.96 0.02 3.99 2.99 -1.26 -5.00 117.98 119.10 1ukj s PHE 1540Ca 0.45 -0.02 0.14 0.00 0.00 0.00 0.00 56.93 57.50 1ukj s PHE 1540Cb -0.10 -1.57 0.19 0.00 0.00 0.00 0.00 43.02 41.54 1ukj s PHE 1540CO 0.41 0.45 1.50 -1.00 -0.00 0.00 0.00 175.22 176.58 1ukj h PRO 1541N 3.85 0.00 -3.63 0.24 0.13 -1.99 -3.46 132.00 127.14 1ukj h PRO 1541Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1ukj h PRO 1541Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1ukj h PRO 1541CO 0.57 0.59 -0.19 0.95 -0.23 0.00 0.00 178.00 179.69 1ukj s THR 1542N -3.12 0.07 0.27 1.56 -4.23 -1.26 -5.05 115.64 103.89 1ukj s THR 1542Ca 0.02 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1ukj s THR 1542Cb 0.09 -1.57 0.05 0.00 1.34 0.00 0.00 72.50 72.41 1ukj s THR 1542CO 0.75 -0.31 1.70 0.58 -0.54 0.00 0.00 174.62 176.79 1ukj h VAL 1543N 2.46 1.28 0.33 2.29 2.07 -2.00 -2.89 116.25 119.79 1ukj h VAL 1543Ca -0.32 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1ukj h VAL 1543Cb 1.24 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1ukj h VAL 1543CO 0.46 0.43 -0.26 -0.33 0.02 0.00 0.00 177.57 177.89 1ukj h GLU 1544N 0.38 -0.57 -0.36 1.57 3.07 -1.99 -1.86 114.58 114.82 1ukj h GLU 1544Ca 0.05 0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.02 1ukj h GLU 1544Cb 0.73 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 28.71 1ukj h GLU 1544CO 0.06 -0.38 -0.09 -0.92 -1.40 0.00 0.00 179.01 176.28 1ukj h TYR 1545N -0.59 -0.19 -0.96 4.33 5.03 -1.96 0.20 116.97 122.83 1ukj h TYR 1545Ca -0.03 0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.46 1ukj h TYR 1545Cb 0.52 0.14 -0.09 0.00 1.55 0.00 0.00 36.73 38.84 1ukj h TYR 1545CO -0.13 -0.15 0.57 0.78 -1.32 0.00 0.00 178.16 177.90 1ukj h GLY 1546N 0.00 1.61 0.51 1.82 0.00 -1.33 0.07 103.07 105.75 1ukj h GLY 1546Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1ukj h GLY 1546CO -0.37 0.04 -0.24 0.00 0.00 0.00 0.00 176.54 175.97 1ukj h ALA 1547N 1.57 -0.88 -1.63 3.60 0.00 -0.16 -2.00 119.26 119.76 1ukj h ALA 1547Ca 0.51 -0.15 0.48 0.00 0.00 0.00 0.00 54.91 55.75 1ukj h ALA 1547Cb 0.65 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1ukj h ALA 1547CO -0.32 -0.83 1.16 0.00 0.00 0.00 0.00 179.25 179.26 1ukj h ALA 1548N -1.47 3.47 0.26 0.00 0.00 -0.25 0.83 119.26 122.11 1ukj h ALA 1548Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ukj h ALA 1548Cb 0.52 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ukj h ALA 1548CO 0.11 -1.97 -0.13 0.00 0.00 0.00 0.00 179.25 177.27 1ukj h PHE 1550N -0.84 0.00 -0.37 0.00 0.04 0.14 0.92 116.94 116.82 1ukj h PHE 1550Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1ukj h PHE 1550Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1ukj h PHE 1550CO 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.76 1ukj n ALA 1551N -1.84 3.13 0.00 2.45 0.00 -0.25 -4.95 120.51 119.06 1ukj n ALA 1551Ca -0.02 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.37 1ukj n ALA 1551Cb 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1ukj n ALA 1551CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ukj n GLY 1552N -0.02 0.38 0.34 0.00 0.00 0.32 -4.73 105.19 101.48 1ukj n GLY 1552Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.34 1ukj n GLY 1552CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ukj h GLU 1553N 0.23 0.40 -6.40 1.61 5.08 -1.33 -3.41 114.58 110.75 1ukj h GLU 1553Ca 0.00 -0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.72 1ukj h GLU 1553Cb 0.00 -0.09 -0.24 0.00 0.50 0.00 0.00 28.75 28.92 1ukj h GLU 1553CO 0.00 0.27 -0.85 -1.14 -1.00 0.00 0.00 179.01 176.29 1ukj s GLN 1554N -5.39 1.38 -0.22 2.33 2.00 -0.19 -4.97 119.66 114.60 1ukj s GLN 1554Ca -0.08 -1.12 -0.09 0.00 -2.00 0.00 0.00 55.36 52.07 1ukj s GLN 1554Cb 0.19 -1.64 -0.05 0.00 0.80 0.00 0.00 33.01 32.32 1ukj s GLN 1554CO 0.74 0.40 0.12 0.00 -0.50 0.00 0.00 175.29 176.06 1ukj s ALA 1555N -0.96 3.55 0.00 1.58 0.00 -1.26 -4.28 121.76 120.38 1ukj s ALA 1555Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1ukj s ALA 1555Cb -0.10 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.84 1ukj s ALA 1555CO 0.03 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.15 1ukj n GLY 1556N 3.99 -1.15 3.65 0.00 0.00 -1.26 -5.08 105.19 105.34 1ukj n GLY 1556Ca -0.16 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1ukj n GLY 1556CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ukj s HIS 1557N -3.00 1.83 0.00 1.61 3.76 -1.26 -5.04 115.29 113.19 1ukj s HIS 1557Ca 0.00 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 53.80 1ukj s HIS 1557Cb 0.00 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.28 1ukj s HIS 1557CO 0.00 -0.01 0.00 1.97 -0.85 0.00 0.00 174.74 175.85 1ukj n PHE 1558N -1.11 0.00 -3.67 1.40 -1.74 -1.26 -4.76 117.46 106.31 1ukj n PHE 1558Ca -0.13 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.67 1ukj n PHE 1558Cb 0.66 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.56 1ukj n PHE 1558CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1ukj s TYR 1559N -1.00 -0.74 -1.93 2.97 5.04 -1.26 -2.23 117.35 118.20 1ukj s TYR 1559Ca 0.00 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 1ukj s TYR 1559Cb 0.00 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1ukj s TYR 1559CO 0.00 -0.43 0.33 0.43 -1.34 0.00 0.00 175.55 174.54 1ukj n SER 1560N 4.85 0.02 -0.08 4.32 7.64 -0.53 -1.93 113.62 127.92 1ukj n SER 1560Ca -0.16 -0.68 -0.09 0.00 1.01 0.00 0.00 58.87 58.96 1ukj n SER 1560Cb 0.52 -0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 1ukj n SER 1560CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1ukj n ARG 1561N -0.44 0.68 -0.05 1.43 0.63 -1.26 -4.46 116.66 113.18 1ukj n ARG 1561Ca 0.00 0.05 -0.22 0.00 -0.92 0.00 0.00 57.85 56.76 1ukj n ARG 1561Cb 0.01 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.21 1ukj n ARG 1561CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1ukj n ILE 1562N -2.79 1.65 -3.63 5.15 -0.00 -0.81 -4.67 119.36 114.25 1ukj n ILE 1562Ca -0.29 -0.31 -0.05 0.00 -0.00 0.00 0.00 62.75 62.10 1ukj n ILE 1562Cb 1.12 -1.91 -0.06 0.00 -0.00 0.00 0.00 39.64 38.79 1ukj n ILE 1562CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1ukj s SER 1563N -6.95 -0.92 0.09 4.38 0.15 -0.95 -4.95 113.70 104.54 1ukj s SER 1563Ca -0.26 1.40 0.08 0.00 0.70 0.00 0.00 55.95 57.88 1ukj s SER 1563Cb 0.06 1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 65.92 1ukj s SER 1563CO 0.67 -0.21 -0.22 0.21 1.20 0.00 0.00 173.24 174.89 1ukj s ASN 1564N 1.91 2.65 0.05 5.45 3.84 -1.26 -4.04 114.94 123.54 1ukj s ASN 1564Ca -0.09 -0.64 -0.28 0.00 0.21 0.00 0.00 52.86 52.06 1ukj s ASN 1564Cb -0.06 -0.18 -0.17 0.00 -0.55 0.00 0.00 41.25 40.29 1ukj s ASN 1564CO -0.19 0.11 1.51 -0.65 -2.79 0.00 0.00 177.10 175.09 1ukj h PRO 1565N 4.31 -0.51 -0.66 0.43 0.11 -1.98 0.16 132.00 133.86 1ukj h PRO 1565Ca -0.46 0.03 0.12 0.00 0.11 0.00 0.00 66.00 65.80 1ukj h PRO 1565Cb 1.17 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.31 1ukj h PRO 1565CO 0.41 -0.27 0.22 1.15 -0.21 0.00 0.00 178.00 179.30 1ukj h THR 1566N -0.66 0.69 -0.55 -1.15 2.02 -1.89 0.57 112.91 111.94 1ukj h THR 1566Ca -0.05 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1ukj h THR 1566Cb 0.48 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1ukj h THR 1566CO 0.09 0.07 -0.03 -0.07 0.37 0.00 0.00 175.52 175.94 1ukj h LEU 1567N 0.37 0.96 -0.55 2.58 4.07 -1.90 -3.06 115.31 117.78 1ukj h LEU 1567Ca 0.35 -0.28 0.11 0.00 0.08 0.00 0.00 57.88 58.14 1ukj h LEU 1567Cb 0.49 -0.26 -0.10 0.00 1.08 0.00 0.00 40.66 41.88 1ukj h LEU 1567CO -0.37 1.04 -0.06 0.78 -1.08 0.00 0.00 178.44 178.74 1ukj h ASN 1568N 0.89 -0.36 0.25 -0.43 4.21 0.12 0.23 115.58 120.49 1ukj h ASN 1568Ca 0.16 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.82 1ukj h ASN 1568Cb 0.57 0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 38.03 1ukj h ASN 1568CO 0.03 -0.13 -0.25 0.25 -1.29 0.00 0.00 177.43 176.04 1ukj h LEU 1569N 0.06 -0.68 -0.91 1.61 5.85 -1.27 0.26 115.31 120.23 1ukj h LEU 1569Ca 0.27 0.06 0.21 0.00 0.84 0.00 0.00 57.88 59.27 1ukj h LEU 1569Cb 0.43 0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.57 1ukj h LEU 1569CO -0.51 -0.37 0.44 0.25 -0.34 0.00 0.00 178.44 177.91 1ukj h LEU 1570N -0.53 0.43 -0.46 2.25 5.85 -1.33 0.26 115.31 121.78 1ukj h LEU 1570Ca -0.00 0.14 -0.17 0.00 0.84 0.00 0.00 57.88 58.69 1ukj h LEU 1570Cb 0.50 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1ukj h LEU 1570CO -0.06 0.06 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.25 1ukj h GLU 1571N 0.47 0.69 -0.32 1.25 5.08 0.06 0.08 114.58 121.90 1ukj h GLU 1571Ca 0.56 -0.42 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1ukj h GLU 1571Cb 1.02 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1ukj h GLU 1571CO -0.49 1.04 -0.34 0.00 -1.00 0.00 0.00 179.01 178.22 1ukj h ALA 1572N 0.88 0.80 0.35 3.43 0.00 0.16 -2.64 119.26 122.25 1ukj h ALA 1572Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1ukj h ALA 1572Cb 1.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1ukj h ALA 1572CO 0.11 0.65 -0.17 0.00 0.00 0.00 0.00 179.25 179.83 1ukj h ARG 1573N 0.60 -0.46 -0.09 0.00 3.08 -0.46 -2.48 114.38 114.57 1ukj h ARG 1573Ca 0.06 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.17 1ukj h ARG 1573Cb 0.86 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1ukj h ARG 1573CO 0.08 -0.15 0.07 0.52 -1.07 0.00 0.00 179.97 179.41 1ukj h MET 1574N -0.78 0.00 -0.14 0.04 2.86 -1.01 -1.04 114.93 114.87 1ukj h MET 1574Ca -0.05 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1ukj h MET 1574Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1ukj h MET 1574CO 0.08 0.00 -0.07 0.00 1.06 0.00 0.00 176.91 177.98 1ukj h ALA 1575N 1.95 0.19 0.09 6.32 0.00 -1.43 -1.46 119.26 124.92 1ukj h ALA 1575Ca 0.04 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1ukj h ALA 1575Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ukj h ALA 1575CO -0.00 -0.01 -0.24 1.03 0.00 0.00 0.00 179.25 180.03 1ukj h SER 1576N -0.05 -0.67 -0.98 0.00 0.87 -0.79 0.99 113.55 112.92 1ukj h SER 1576Ca 0.03 0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.72 1ukj h SER 1576Cb 0.54 0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.70 1ukj h SER 1576CO 0.02 -0.32 0.63 -0.07 -0.53 0.00 0.00 176.83 176.56 1ukj h LEU 1577N -0.42 1.03 0.00 2.23 3.38 -1.23 -1.50 115.31 118.81 1ukj h LEU 1577Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ukj h LEU 1577Cb 0.46 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1ukj h LEU 1577CO -0.15 0.68 -0.04 -0.33 0.09 0.00 0.00 178.44 178.68 1ukj h GLU 1578N 1.18 0.00 0.00 1.13 4.39 -0.69 -3.45 114.58 117.14 1ukj h GLU 1578Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1ukj h GLU 1578Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ukj h GLU 1578CO -0.15 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.11 1ukj n GLY 1579N 1.18 0.42 3.80 -3.84 0.00 0.33 -4.60 105.19 102.47 1ukj n GLY 1579Ca 0.04 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 1ukj n GLY 1579CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ukj s GLY 1580N -2.96 2.31 0.11 -0.02 0.00 -0.24 -4.85 107.32 101.66 1ukj s GLY 1580Ca 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 44.72 42.78 1ukj s GLY 1580CO 0.00 -1.87 1.24 0.83 0.00 0.00 0.00 173.10 173.30 1ukj h GLU 1581N 1.24 0.30 -3.92 2.90 5.08 -1.83 -3.39 114.58 114.95 1ukj h GLU 1581Ca -0.42 -0.41 -0.12 0.00 -1.00 0.00 0.00 59.36 57.42 1ukj h GLU 1581Cb 1.26 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.49 1ukj h GLU 1581CO 0.65 1.14 -0.54 0.00 -1.00 0.00 0.00 179.01 179.26 1ukj s ALA 1582N -2.95 0.05 0.31 3.43 0.00 0.85 -4.82 121.76 118.63 1ukj s ALA 1582Ca -0.04 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1ukj s ALA 1582Cb 0.08 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1ukj s ALA 1582CO 0.87 -0.37 0.13 0.20 0.00 0.00 0.00 175.76 176.59 1ukj s GLY 1583N -2.46 2.04 -0.26 0.00 0.00 -1.25 -0.70 107.32 104.68 1ukj s GLY 1583Ca -0.00 -1.75 -0.15 0.00 0.00 0.00 0.00 44.72 42.81 1ukj s GLY 1583CO -0.07 -1.64 0.65 -2.27 0.00 0.00 0.00 173.10 169.76 1ukj s LEU 1584N -3.40 -0.83 -0.14 0.66 2.96 -0.22 -4.88 118.68 112.83 1ukj s LEU 1584Ca 0.35 1.43 -0.10 0.00 -0.22 0.00 0.00 54.13 55.59 1ukj s LEU 1584Cb 0.06 2.24 -0.05 0.00 0.50 0.00 0.00 46.19 48.95 1ukj s LEU 1584CO 0.16 -0.23 0.19 0.00 -1.32 0.00 0.00 176.35 175.15 1ukj s ALA 1585N 1.60 3.74 0.14 5.97 0.00 -1.26 -2.05 121.76 129.91 1ukj s ALA 1585Ca -0.10 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1ukj s ALA 1585Cb -0.05 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1ukj s ALA 1585CO -0.19 0.35 -0.11 -0.51 0.00 0.00 0.00 175.76 175.30 1ukj s LEU 1586N -0.28 2.49 0.54 0.00 1.02 -0.75 -4.42 118.68 117.29 1ukj s LEU 1586Ca 0.14 -0.95 0.17 0.00 0.02 0.00 0.00 54.13 53.51 1ukj s LEU 1586Cb -0.12 -0.41 0.91 0.00 0.02 0.00 0.00 46.19 46.58 1ukj s LEU 1586CO 0.03 -0.27 1.46 0.00 0.02 0.00 0.00 176.35 177.59 1ukj h ALA 1587N 3.01 1.45 -2.20 4.21 0.00 -0.17 0.32 119.26 125.88 1ukj h ALA 1587Ca -0.37 0.00 0.24 0.00 0.00 0.00 0.00 54.91 54.78 1ukj h ALA 1587Cb 1.19 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 1ukj h ALA 1587CO 0.59 -0.45 0.69 -1.54 0.00 0.00 0.00 179.25 178.55 1ukj s SER 1588N -3.69 -0.04 0.20 0.00 1.04 -1.26 -3.67 113.70 106.28 1ukj s SER 1588Ca -0.02 -0.42 -0.07 0.00 0.48 0.00 0.00 55.95 55.92 1ukj s SER 1588Cb 0.05 0.35 0.14 0.00 0.10 0.00 0.00 66.02 66.66 1ukj s SER 1588CO 0.15 -0.68 1.70 1.23 0.98 0.00 0.00 173.24 176.62 1ukj h GLY 1589N 2.00 1.14 1.26 7.32 0.00 -1.66 -2.06 103.07 111.06 1ukj h GLY 1589Ca -0.26 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.18 1ukj h GLY 1589CO 0.32 0.71 -0.21 -0.33 0.00 0.00 0.00 176.54 177.03 1ukj h MET 1590N 0.98 0.85 0.00 4.80 2.86 -1.90 -1.45 114.93 121.08 1ukj h MET 1590Ca 0.19 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1ukj h MET 1590Cb 0.46 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1ukj h MET 1590CO 0.02 0.98 -0.05 0.78 1.06 0.00 0.00 176.91 179.70 1ukj h GLY 1591N 0.94 0.00 0.04 8.32 0.00 -1.84 0.18 103.07 110.71 1ukj h GLY 1591Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ukj h GLY 1591CO 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.59 1ukj h ALA 1592N 1.95 -0.02 0.32 3.60 0.00 -0.81 -2.81 119.26 121.49 1ukj h ALA 1592Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ukj h ALA 1592Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ukj h ALA 1592CO 0.01 -0.03 -0.43 0.82 0.00 0.00 0.00 179.25 179.62 1ukj h ILE 1593N -0.98 0.00 -0.50 0.00 2.04 -0.83 -1.08 117.51 116.17 1ukj h ILE 1593Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1ukj h ILE 1593Cb 0.68 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 1ukj h ILE 1593CO 0.00 0.00 0.22 0.71 0.00 0.00 0.00 178.15 179.09 1ukj h THR 1594N -0.77 0.91 -0.99 -0.27 1.35 -0.84 -1.37 112.91 110.93 1ukj h THR 1594Ca -0.04 -0.15 0.04 0.00 -0.55 0.00 0.00 66.41 65.71 1ukj h THR 1594Cb 0.70 0.43 -0.06 0.00 -1.73 0.00 0.00 68.15 67.49 1ukj h THR 1594CO -0.11 0.08 0.65 0.28 -0.25 0.00 0.00 175.52 176.17 1ukj h SER 1595N 0.44 1.07 -0.13 5.36 0.02 -1.35 0.52 113.55 119.47 1ukj h SER 1595Ca 0.23 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1ukj h SER 1595Cb 0.18 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ukj h SER 1595CO -0.19 0.72 -0.03 0.74 -1.14 0.00 0.00 176.83 176.93 1ukj h THR 1596N 1.24 1.29 -0.27 -2.27 2.02 -0.49 -3.13 112.91 111.29 1ukj h THR 1596Ca 0.40 -0.97 -0.17 0.00 0.77 0.00 0.00 66.41 66.43 1ukj h THR 1596Cb 0.03 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1ukj h THR 1596CO -0.13 0.28 -0.52 -0.07 0.37 0.00 0.00 175.52 175.45 1ukj h LEU 1597N -0.05 0.87 -2.54 2.58 3.38 -0.96 -2.52 115.31 116.07 1ukj h LEU 1597Ca 0.03 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1ukj h LEU 1597Cb 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ukj h LEU 1597CO 0.01 1.23 0.00 -0.50 0.09 0.00 0.00 178.44 179.27 1ukj h TRP 1598N 0.61 0.00 0.00 1.13 -0.00 0.01 -1.22 115.95 116.48 1ukj h TRP 1598Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1ukj h TRP 1598Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.27 1ukj h TRP 1598CO 0.06 0.00 -1.23 0.25 -0.00 0.00 0.00 178.44 177.52 1ukj n THR 1599N -2.87 0.00 0.27 1.49 -2.24 -1.14 -4.51 114.28 105.28 1ukj n THR 1599Ca -0.02 -0.26 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1ukj n THR 1599Cb 0.07 0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 1ukj n THR 1599CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ukj n LEU 1600N -1.71 0.50 -4.60 3.22 4.77 -0.96 -4.95 117.00 113.26 1ukj n LEU 1600Ca -0.01 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 1ukj n LEU 1600Cb 0.27 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1ukj n LEU 1600CO 0.24 -0.03 -0.39 -0.76 -1.33 0.00 0.00 177.39 175.12 1ukj s LEU 1601N -4.48 3.10 0.14 2.23 2.01 -0.49 -4.94 118.68 116.25 1ukj s LEU 1601Ca -0.01 -0.43 -0.08 0.00 0.01 0.00 0.00 54.13 53.62 1ukj s LEU 1601Cb 0.13 -1.83 -0.01 0.00 0.01 0.00 0.00 46.19 44.49 1ukj s LEU 1601CO 0.84 0.14 0.23 -0.13 1.01 0.00 0.00 176.35 178.44 1ukj s ARG 1602N -2.54 1.03 0.20 1.70 1.81 -1.26 -4.86 118.95 115.03 1ukj s ARG 1602Ca 0.24 -1.13 -0.32 0.00 -1.72 0.00 0.00 55.73 52.80 1ukj s ARG 1602Cb -0.10 0.35 -0.14 0.00 -0.45 0.00 0.00 34.95 34.61 1ukj s ARG 1602CO 0.15 -0.36 1.39 -2.30 -0.68 0.00 0.00 175.30 173.51 1ukj n PRO 1603N -0.15 1.83 0.00 3.54 -0.02 -1.26 -1.13 135.00 137.81 1ukj n PRO 1603Ca -0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1ukj n PRO 1603Cb 0.63 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1ukj n PRO 1603CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ukj n GLY 1604N 2.39 3.23 3.75 -1.23 0.00 0.12 -4.96 105.19 108.49 1ukj n GLY 1604Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1ukj n GLY 1604CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukj s ASP 1605N -0.21 4.72 -0.01 1.61 -0.00 -0.28 -4.78 116.67 117.71 1ukj s ASP 1605Ca 0.00 2.06 0.07 0.00 -0.00 0.00 0.00 52.55 54.68 1ukj s ASP 1605Cb 0.00 -2.56 -0.02 0.00 -0.00 0.00 0.00 42.92 40.35 1ukj s ASP 1605CO 0.00 -1.90 -0.24 -0.70 -0.00 0.00 0.00 175.17 172.34 1ukj s GLU 1606N -4.20 1.87 -0.19 8.23 2.12 0.12 -1.40 118.70 125.26 1ukj s GLU 1606Ca 0.68 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 55.15 1ukj s GLU 1606Cb -0.22 -1.83 0.02 0.00 0.26 0.00 0.00 34.13 32.36 1ukj s GLU 1606CO 0.45 0.50 -0.17 0.08 -0.54 0.00 0.00 175.26 175.58 1ukj s VAL 1607N -0.58 2.26 -0.29 3.70 1.01 0.28 -1.48 120.40 125.30 1ukj s VAL 1607Ca 0.09 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.92 1ukj s VAL 1607Cb -0.09 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1ukj s VAL 1607CO -0.01 0.47 0.67 -0.76 0.00 0.00 0.00 175.10 175.47 1ukj s LEU 1608N 1.30 4.12 0.14 3.92 1.02 -0.99 -0.59 118.68 127.60 1ukj s LEU 1608Ca 0.04 0.54 0.09 0.00 0.02 0.00 0.00 54.13 54.82 1ukj s LEU 1608Cb -0.14 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.15 1ukj s LEU 1608CO -0.11 -0.49 -0.14 -0.76 0.02 0.00 0.00 176.35 174.88 1ukj s LEU 1609N 2.67 2.86 0.98 1.79 1.43 0.22 -1.40 118.68 127.23 1ukj s LEU 1609Ca 0.27 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 1ukj s LEU 1609Cb -0.15 -1.63 0.18 0.00 0.03 0.00 0.00 46.19 44.63 1ukj s LEU 1609CO 0.11 0.15 1.10 -0.83 0.23 0.00 0.00 176.35 177.11 1ukj s GLY 1610N -2.44 1.64 0.06 -3.19 0.00 -0.61 0.13 107.32 102.91 1ukj s GLY 1610Ca 0.21 0.32 -0.38 0.00 0.00 0.00 0.00 44.72 44.87 1ukj s GLY 1610CO 0.13 0.83 1.57 3.43 0.00 0.00 0.00 173.10 179.06 1ukj h ASN 1611N -2.06 -1.17 -3.00 1.64 4.21 -1.82 -3.40 115.58 109.97 1ukj h ASN 1611Ca -0.49 0.04 -0.66 0.00 1.21 0.00 0.00 56.30 56.41 1ukj h ASN 1611Cb 1.29 0.31 -0.11 0.00 -1.12 0.00 0.00 38.32 38.68 1ukj h ASN 1611CO 0.45 -0.82 -0.54 0.42 -1.29 0.00 0.00 177.43 175.66 1ukj s THR 1612N -5.98 5.04 0.15 2.81 -4.23 -1.26 -4.97 115.64 107.19 1ukj s THR 1612Ca -0.20 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.41 1ukj s THR 1612Cb 0.02 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 1ukj s THR 1612CO 0.60 0.57 -0.15 -0.76 -0.54 0.00 0.00 174.62 174.34 1ukj s LEU 1613N -0.60 2.45 0.32 4.79 1.43 -1.26 -4.78 118.68 121.02 1ukj s LEU 1613Ca 0.12 -0.87 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 1ukj s LEU 1613Cb -0.12 -0.61 -0.12 0.00 0.03 0.00 0.00 46.19 45.37 1ukj s LEU 1613CO 0.02 -0.14 1.38 0.00 0.23 0.00 0.00 176.35 177.84 1ukj n TYR 1614N 0.27 2.41 0.00 0.29 9.36 -1.26 -4.69 117.16 123.54 1ukj n TYR 1614Ca -0.13 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1ukj n TYR 1614Cb 0.58 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.83 1ukj n TYR 1614CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ukj n GLY 1615N 1.21 -1.85 0.33 2.98 0.00 -1.26 -0.40 105.19 106.21 1ukj n GLY 1615Ca 0.06 0.35 0.22 0.00 0.00 0.00 0.00 46.02 46.65 1ukj n GLY 1615CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj h THR 1617N 0.00 1.47 0.40 0.00 2.02 -1.07 -1.95 112.91 113.80 1ukj h THR 1617Ca -0.00 -2.79 -0.02 0.00 0.77 0.00 0.00 66.41 64.37 1ukj h THR 1617Cb 0.06 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1ukj h THR 1617CO 0.00 0.82 -0.19 0.15 0.37 0.00 0.00 175.52 176.66 1ukj h PHE 1618N 0.13 -0.50 -0.13 3.16 3.57 -0.11 -2.08 116.94 120.97 1ukj h PHE 1618Ca -0.09 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.43 1ukj h PHE 1618Cb 1.74 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.65 1ukj h PHE 1618CO 0.05 -0.18 0.10 0.00 -2.23 0.00 0.00 178.31 176.06 1ukj h ALA 1619N -0.48 2.08 -0.24 2.41 0.00 -1.37 -0.77 119.26 120.88 1ukj h ALA 1619Ca -0.06 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1ukj h ALA 1619Cb 0.55 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ukj h ALA 1619CO 0.09 -0.17 -0.28 0.35 0.00 0.00 0.00 179.25 179.25 1ukj h PHE 1620N 0.00 0.73 -0.02 0.00 3.57 -1.20 -1.23 116.94 118.79 1ukj h PHE 1620Ca 0.06 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 1ukj h PHE 1620Cb 0.26 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1ukj h PHE 1620CO 0.00 0.95 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.86 1ukj h LEU 1621N 0.30 0.13 -0.36 0.59 3.38 -0.62 0.49 115.31 119.23 1ukj h LEU 1621Ca 0.03 -0.65 -0.13 0.00 0.09 0.00 0.00 57.88 57.22 1ukj h LEU 1621Cb 0.84 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1ukj h LEU 1621CO 0.07 0.76 -0.63 0.45 0.09 0.00 0.00 178.44 179.17 1ukj h HIS 1622N -0.49 0.00 -0.00 1.13 3.86 -1.29 0.45 115.15 118.82 1ukj h HIS 1622Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ukj h HIS 1622Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1ukj h HIS 1622CO 0.15 0.63 -0.07 0.72 0.86 0.00 0.00 177.93 180.22 1ukj n HIS 1623N -3.43 0.00 0.00 2.45 8.25 -0.48 -4.43 115.22 117.58 1ukj n HIS 1623Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ukj n HIS 1623Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 1ukj n HIS 1623CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukj n GLY 1624N 0.64 0.86 0.33 -1.41 0.00 0.16 -4.64 105.19 101.13 1ukj n GLY 1624Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1ukj n GLY 1624CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ukj h ILE 1625N 0.00 0.00 -0.01 -0.61 2.10 -1.30 0.87 117.51 118.55 1ukj h ILE 1625Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.82 1ukj h ILE 1625Cb 0.00 0.57 -0.02 0.00 -1.09 0.00 0.00 36.82 36.29 1ukj h ILE 1625CO 0.00 0.00 -0.53 1.23 -1.08 0.00 0.00 178.15 177.77 1ukj h GLY 1626N 0.00 0.04 -1.99 8.18 0.00 -0.21 -2.90 103.07 106.19 1ukj h GLY 1626Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1ukj h GLY 1626CO 0.00 0.04 0.00 1.18 0.00 0.00 0.00 176.54 177.76 1ukj n GLU 1627N -3.91 2.53 -0.62 4.80 1.02 0.30 -3.83 120.64 120.94 1ukj n GLU 1627Ca -0.01 -1.25 0.06 0.00 -0.02 0.00 0.00 57.16 55.94 1ukj n GLU 1627Cb 0.55 -1.79 0.14 0.00 -0.02 0.00 0.00 31.44 30.31 1ukj n GLU 1627CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ukj n PHE 1628N 0.25 0.00 -0.44 -0.32 3.01 -1.09 -4.98 117.46 113.89 1ukj n PHE 1628Ca 0.11 -1.07 0.00 0.00 1.01 0.00 0.00 57.45 57.50 1ukj n PHE 1628Cb 0.62 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1ukj n PHE 1628CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ukj n GLY 1629N -0.82 0.76 3.71 1.37 0.00 -1.25 -4.43 105.19 104.54 1ukj n GLY 1629Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1ukj n GLY 1629CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ukj s VAL 1630N -2.25 5.33 -0.08 1.61 1.01 -1.25 0.15 120.40 124.93 1ukj s VAL 1630Ca 0.00 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 1ukj s VAL 1630Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1ukj s VAL 1630CO 0.00 0.38 0.67 -0.54 0.00 0.00 0.00 175.10 175.62 1ukj s LYS 1631N 0.61 4.41 -0.08 2.72 1.02 -0.49 -4.63 119.74 123.29 1ukj s LYS 1631Ca 0.13 0.82 0.02 0.00 0.02 0.00 0.00 55.97 56.96 1ukj s LYS 1631Cb -0.13 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1ukj s LYS 1631CO 0.03 0.05 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.85 1ukj s LEU 1632N 0.88 2.69 -0.12 3.17 1.43 -1.26 0.10 118.68 125.57 1ukj s LEU 1632Ca 0.36 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1ukj s LEU 1632Cb -0.17 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.52 1ukj s LEU 1632CO 0.17 0.26 0.04 -0.60 0.23 0.00 0.00 176.35 176.45 1ukj s ARG 1633N -0.23 0.34 0.05 1.70 3.52 0.24 -4.95 118.95 119.62 1ukj s ARG 1633Ca 0.01 0.00 -0.28 0.00 -0.13 0.00 0.00 55.73 55.32 1ukj s ARG 1633Cb -0.13 -1.33 -0.05 0.00 -1.56 0.00 0.00 34.95 31.88 1ukj s ARG 1633CO 0.03 -0.47 0.91 -1.01 -0.81 0.00 0.00 175.30 173.94 1ukj s HIS 1634N 2.03 3.73 0.09 5.12 3.76 -1.26 0.73 115.29 129.49 1ukj s HIS 1634Ca 0.03 1.66 -0.01 0.00 -0.15 0.00 0.00 55.06 56.58 1ukj s HIS 1634Cb -0.14 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 1ukj s HIS 1634CO -0.06 0.14 0.02 0.14 -0.85 0.00 0.00 174.74 174.13 1ukj s VAL 1635N 0.38 0.17 -0.73 -0.90 -7.23 0.34 -4.87 120.40 107.55 1ukj s VAL 1635Ca 0.46 -1.83 -0.21 0.00 -1.81 0.00 0.00 61.98 58.59 1ukj s VAL 1635Cb -0.22 -1.73 0.09 0.00 0.56 0.00 0.00 36.38 35.09 1ukj s VAL 1635CO 0.27 -0.76 0.99 -0.62 -0.31 0.00 0.00 175.10 174.66 1ukj s ASP 1636N -2.97 6.31 0.00 4.85 3.68 -1.26 -2.39 116.67 124.88 1ukj s ASP 1636Ca 0.14 -1.35 0.04 0.00 2.13 0.00 0.00 52.55 53.52 1ukj s ASP 1636Cb 0.08 -2.40 0.20 0.00 -1.45 0.00 0.00 42.92 39.35 1ukj s ASP 1636CO -0.05 -1.30 1.04 0.23 0.13 0.00 0.00 175.17 175.22 1ukj n MET 1637N 7.24 0.04 0.15 4.34 2.81 -1.26 -0.14 117.12 130.30 1ukj n MET 1637Ca 0.04 0.32 0.12 0.00 -1.81 0.00 0.00 57.70 56.37 1ukj n MET 1637Cb 0.46 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.64 1ukj n MET 1637CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ukj h ALA 1638N 2.18 0.83 -2.66 3.04 0.00 -1.90 -3.12 119.26 117.63 1ukj h ALA 1638Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1ukj h ALA 1638Cb 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.58 1ukj h ALA 1638CO 0.00 0.00 -0.43 0.34 0.00 0.00 0.00 179.25 179.16 1ukj s ASP 1639N -5.48 5.79 0.33 0.00 3.68 0.81 -4.80 116.67 117.00 1ukj s ASP 1639Ca 0.06 -1.41 0.17 0.00 2.13 0.00 0.00 52.55 53.50 1ukj s ASP 1639Cb 0.08 -2.04 0.49 0.00 -1.45 0.00 0.00 42.92 39.99 1ukj s ASP 1639CO 0.69 -0.55 1.64 -0.07 0.13 0.00 0.00 175.17 177.01 1ukj h LEU 1640N 8.50 0.00 -0.48 -1.34 3.38 -1.81 -2.55 115.31 121.01 1ukj h LEU 1640Ca -0.25 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.55 1ukj h LEU 1640Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1ukj h LEU 1640CO 0.78 0.46 -0.73 1.56 0.09 0.00 0.00 178.44 180.60 1ukj h GLN 1641N 0.00 0.21 -0.04 1.13 7.50 -1.94 -2.16 115.11 119.81 1ukj h GLN 1641Ca -0.00 -0.18 -0.10 0.00 0.50 0.00 0.00 58.65 58.86 1ukj h GLN 1641Cb 1.06 0.04 0.01 0.00 0.05 0.00 0.00 27.48 28.63 1ukj h GLN 1641CO 0.06 0.85 -0.37 0.00 -1.50 0.00 0.00 178.83 177.87 1ukj h ALA 1642N 1.10 0.10 0.63 3.87 0.00 -1.88 -2.73 119.26 120.34 1ukj h ALA 1642Ca -0.02 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1ukj h ALA 1642Cb 1.29 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ukj h ALA 1642CO 0.11 0.21 -0.38 1.25 0.00 0.00 0.00 179.25 180.44 1ukj h LEU 1643N -0.21 -0.96 -1.74 0.00 5.85 -1.48 -1.04 115.31 115.73 1ukj h LEU 1643Ca -0.04 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.89 1ukj h LEU 1643Cb 1.06 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1ukj h LEU 1643CO 0.08 -0.59 0.63 -0.08 -0.34 0.00 0.00 178.44 178.14 1ukj h GLU 1644N -0.94 0.00 -0.02 1.25 4.57 -1.51 0.44 114.58 118.37 1ukj h GLU 1644Ca -0.08 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.84 1ukj h GLU 1644Cb 0.75 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.36 1ukj h GLU 1644CO 0.09 0.00 -0.97 0.00 -1.18 0.00 0.00 179.01 176.95 1ukj h ALA 1645N 1.24 0.15 0.00 2.92 0.00 -0.99 -3.17 119.26 119.40 1ukj h ALA 1645Ca 0.26 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1ukj h ALA 1645Cb 1.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1ukj h ALA 1645CO -0.00 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1ukj n ALA 1646N -2.64 2.11 -1.78 0.00 0.00 0.14 -4.84 120.51 113.51 1ukj n ALA 1646Ca -0.11 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 1ukj n ALA 1646Cb 0.85 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 1ukj n ALA 1646CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ukj s MET 1647N -3.10 4.16 0.17 0.00 0.00 -0.47 -4.99 119.30 115.06 1ukj s MET 1647Ca 0.10 2.51 0.02 0.00 0.00 0.00 0.00 55.69 58.32 1ukj s MET 1647Cb 0.13 -3.65 -0.05 0.00 0.00 0.00 0.00 34.83 31.27 1ukj s MET 1647CO 0.50 -0.82 -0.00 0.95 0.00 0.00 0.00 175.02 175.65 1ukj s THR 1648N 2.88 0.67 0.63 10.11 -4.23 -1.26 -5.03 115.64 119.41 1ukj s THR 1648Ca 0.79 -1.98 0.36 0.00 -1.18 0.00 0.00 61.69 59.68 1ukj s THR 1648Cb -0.44 -2.10 0.39 0.00 1.34 0.00 0.00 72.50 71.69 1ukj s THR 1648CO 0.35 -0.49 2.25 1.55 -0.54 0.00 0.00 174.62 177.75 1ukj h PRO 1649N 2.71 0.00 -0.01 3.99 0.13 -1.98 0.10 132.00 136.95 1ukj h PRO 1649Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ukj h PRO 1649Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ukj h PRO 1649CO 0.63 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.14 1ukj n ALA 1650N -2.20 3.07 -2.16 -0.56 0.00 -1.26 -4.80 120.51 112.60 1ukj n ALA 1650Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1ukj n ALA 1650Cb 0.14 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 1ukj n ALA 1650CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ukj s THR 1651N -2.53 3.77 -0.18 0.00 2.01 0.36 0.15 115.64 119.21 1ukj s THR 1651Ca 0.24 0.87 0.11 0.00 0.31 0.00 0.00 61.69 63.22 1ukj s THR 1651Cb 0.19 -3.77 -0.19 0.00 0.01 0.00 0.00 72.50 68.74 1ukj s THR 1651CO 0.53 -0.31 -0.01 -1.14 -0.69 0.00 0.00 174.62 172.99 1ukj n ARG 1652N 7.58 1.05 -3.85 4.92 0.00 -0.55 -4.55 116.66 121.25 1ukj n ARG 1652Ca 0.18 0.03 -0.10 0.00 -0.00 0.00 0.00 57.85 57.96 1ukj n ARG 1652Cb 0.45 -1.43 -0.08 0.00 0.00 0.00 0.00 32.46 31.40 1ukj n ARG 1652CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1ukj s VAL 1653N -2.42 0.11 -0.17 5.15 -7.23 -1.23 -0.44 120.40 114.18 1ukj s VAL 1653Ca -0.14 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1ukj s VAL 1653Cb 0.06 -0.93 0.02 0.00 0.56 0.00 0.00 36.38 36.09 1ukj s VAL 1653CO 0.64 -0.51 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.13 1ukj s ILE 1654N -2.62 1.83 -0.06 -0.62 1.01 0.15 -2.35 121.20 118.54 1ukj s ILE 1654Ca -0.05 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.82 1ukj s ILE 1654Cb -0.01 -1.70 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1ukj s ILE 1654CO -0.04 0.46 -0.24 -0.47 0.00 0.00 0.00 174.94 174.65 1ukj s TYR 1655N 1.37 2.46 0.13 3.97 5.04 -0.50 -1.08 117.35 128.75 1ukj s TYR 1655Ca 0.04 -0.66 -0.25 0.00 -2.44 0.00 0.00 57.07 53.76 1ukj s TYR 1655Cb -0.13 -1.60 0.07 0.00 0.35 0.00 0.00 41.96 40.65 1ukj s TYR 1655CO -0.11 -0.18 1.03 -0.59 -1.34 0.00 0.00 175.55 174.36 1ukj s PHE 1656N -0.22 -0.08 0.14 4.97 -0.71 -1.13 -1.58 117.98 119.38 1ukj s PHE 1656Ca -0.02 -0.21 0.11 0.00 -1.04 0.00 0.00 56.93 55.78 1ukj s PHE 1656Cb -0.13 0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1ukj s PHE 1656CO 0.03 -0.75 -0.26 -1.21 -1.34 0.00 0.00 175.22 171.69 1ukj s GLU 1657N -2.97 1.44 -0.28 1.99 2.02 -1.26 -1.39 118.70 118.25 1ukj s GLU 1657Ca 0.14 -1.38 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 1ukj s GLU 1657Cb -0.01 -1.90 0.16 0.00 0.10 0.00 0.00 34.13 32.48 1ukj s GLU 1657CO 0.02 0.44 0.53 0.45 0.02 0.00 0.00 175.26 176.72 1ukj s SER 1658N -2.18 -0.83 1.04 -0.19 0.15 -1.26 -4.20 113.70 106.24 1ukj s SER 1658Ca 0.15 0.85 -0.14 0.00 0.70 0.00 0.00 55.95 57.51 1ukj s SER 1658Cb -0.10 1.85 0.21 0.00 -1.71 0.00 0.00 66.02 66.27 1ukj s SER 1658CO 0.07 -0.26 1.10 -2.16 1.20 0.00 0.00 173.24 173.19 1ukj s PRO 1659N 2.76 0.06 0.01 5.44 0.04 -1.26 -4.80 135.00 137.25 1ukj s PRO 1659Ca 0.12 0.37 0.02 0.00 0.04 0.00 0.00 61.00 61.55 1ukj s PRO 1659Cb -0.14 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 1ukj s PRO 1659CO -0.19 -2.95 -0.06 0.00 0.04 0.00 0.00 177.00 173.85 1ukj s ALA 1660N -2.99 0.45 0.97 8.56 0.00 -0.70 -4.89 121.76 123.16 1ukj s ALA 1660Ca 0.67 -0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.17 1ukj s ALA 1660Cb -0.17 -0.07 0.17 0.00 0.00 0.00 0.00 23.12 23.06 1ukj s ALA 1660CO 0.57 0.07 1.10 -0.80 0.00 0.00 0.00 175.76 176.70 1ukj s ASN 1661N -0.47 2.60 0.01 0.00 0.01 -1.26 -1.06 114.94 114.77 1ukj s ASN 1661Ca -0.01 1.84 0.25 0.00 -0.71 0.00 0.00 52.86 54.23 1ukj s ASN 1661Cb -0.04 -2.42 0.56 0.00 0.41 0.00 0.00 41.25 39.77 1ukj s ASN 1661CO -0.00 -3.24 1.46 -0.81 -1.51 0.00 0.00 177.10 172.99 1ukj n PRO 1662N -4.31 0.02 -2.56 -0.60 -0.04 -1.26 -4.71 135.00 121.55 1ukj n PRO 1662Ca 0.08 0.01 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 1ukj n PRO 1662Cb 0.53 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1ukj n PRO 1662CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ukj n ASN 1663N -1.55 4.24 -3.34 3.54 0.23 -1.25 -4.70 115.26 112.44 1ukj n ASN 1663Ca 0.05 -3.59 -0.20 0.00 -0.53 0.00 0.00 54.58 50.32 1ukj n ASN 1663Cb 0.34 -0.48 -0.05 0.00 -2.08 0.00 0.00 39.78 37.51 1ukj n ASN 1663CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1ukj n MET 1664N -0.40 -0.91 -1.85 -3.83 2.81 -0.38 -4.81 117.12 107.76 1ukj n MET 1664Ca 0.34 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.88 1ukj n MET 1664Cb 0.65 -2.21 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 1ukj n MET 1664CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1ukj s HIS 1665N -3.09 2.86 0.50 2.03 5.04 -0.23 -4.35 115.29 118.06 1ukj s HIS 1665Ca 0.20 0.79 0.05 0.00 -1.54 0.00 0.00 55.06 54.56 1ukj s HIS 1665Cb -0.11 -4.00 0.03 0.00 0.04 0.00 0.00 32.58 28.54 1ukj s HIS 1665CO 0.55 -3.40 0.69 -1.64 -2.34 0.00 0.00 174.74 168.61 1ukj s MET 1666N -0.17 2.62 0.15 2.88 -1.94 -1.26 -1.72 119.30 119.85 1ukj s MET 1666Ca 0.64 -1.05 0.05 0.00 -1.71 0.00 0.00 55.69 53.62 1ukj s MET 1666Cb -0.46 -2.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.73 1ukj s MET 1666CO 0.44 -0.56 -0.11 0.00 -0.01 0.00 0.00 175.02 174.78 1ukj s ALA 1667N -2.59 1.50 -0.84 3.03 0.00 -1.26 -4.27 121.76 117.33 1ukj s ALA 1667Ca 0.57 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.93 1ukj s ALA 1667Cb -0.10 0.01 0.21 0.00 0.00 0.00 0.00 23.12 23.24 1ukj s ALA 1667CO 0.36 -0.04 0.81 0.34 0.00 0.00 0.00 175.76 177.23 1ukj s ASP 1668N -3.02 6.76 0.10 0.00 -1.08 -1.18 -4.90 116.67 113.35 1ukj s ASP 1668Ca 0.15 -2.64 -0.29 0.00 -0.52 0.00 0.00 52.55 49.25 1ukj s ASP 1668Cb 0.01 -2.23 -0.12 0.00 -1.46 0.00 0.00 42.92 39.12 1ukj s ASP 1668CO 0.02 -0.62 1.63 0.40 0.52 0.00 0.00 175.17 177.12 1ukj h ILE 1669N 4.87 0.40 -0.90 4.11 2.04 -1.93 0.93 117.51 127.02 1ukj h ILE 1669Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1ukj h ILE 1669Cb 1.04 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 1ukj h ILE 1669CO 0.79 0.00 0.58 0.00 0.00 0.00 0.00 178.15 179.52 1ukj h ALA 1670N 0.01 1.20 -0.48 1.87 0.00 -1.91 0.75 119.26 120.69 1ukj h ALA 1670Ca -0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1ukj h ALA 1670Cb 0.55 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ukj h ALA 1670CO -0.06 0.43 -0.22 0.78 0.00 0.00 0.00 179.25 180.18 1ukj h GLY 1671N 1.12 1.08 0.94 0.00 0.00 -1.82 -2.52 103.07 101.87 1ukj h GLY 1671Ca 0.36 -0.95 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1ukj h GLY 1671CO -0.12 0.87 0.09 -2.08 0.00 0.00 0.00 176.54 175.29 1ukj h VAL 1672N 0.86 1.23 -0.35 4.60 2.07 -0.25 -2.34 116.25 122.07 1ukj h VAL 1672Ca 0.11 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.86 1ukj h VAL 1672Cb 0.79 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1ukj h VAL 1672CO 0.07 0.28 0.24 0.00 0.02 0.00 0.00 177.57 178.18 1ukj h ALA 1673N 0.94 2.01 -0.03 1.67 0.00 -0.75 -0.64 119.26 122.47 1ukj h ALA 1673Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ukj h ALA 1673Cb 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ukj h ALA 1673CO 0.00 -0.08 -0.00 -0.22 0.00 0.00 0.00 179.25 178.96 1ukj h LYS 1674N 0.25 0.05 0.15 0.00 3.64 -0.98 0.76 116.57 120.43 1ukj h LYS 1674Ca 0.15 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1ukj h LYS 1674Cb 0.29 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1ukj h LYS 1674CO -0.03 0.34 -0.07 0.82 -2.27 0.00 0.00 179.45 178.24 1ukj h ILE 1675N -0.26 0.87 -0.80 2.00 2.04 -1.17 -1.99 117.51 118.20 1ukj h ILE 1675Ca 0.01 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1ukj h ILE 1675Cb 0.32 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1ukj h ILE 1675CO 0.00 0.01 0.52 0.00 0.00 0.00 0.00 178.15 178.69 1ukj h ALA 1676N 0.63 1.51 -0.85 1.87 0.00 -1.10 -2.48 119.26 118.85 1ukj h ALA 1676Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ukj h ALA 1676Cb 0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1ukj h ALA 1676CO 0.03 0.42 0.55 -0.09 0.00 0.00 0.00 179.25 180.16 1ukj h ARG 1677N 0.99 1.07 -0.01 0.00 9.65 0.12 0.14 114.38 126.35 1ukj h ARG 1677Ca 0.31 -0.06 -0.19 0.00 -1.10 0.00 0.00 59.98 58.94 1ukj h ARG 1677Cb 0.02 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 1ukj h ARG 1677CO -0.09 0.71 -0.83 1.57 2.80 0.00 0.00 179.97 184.13 1ukj h LYS 1678N 1.11 0.19 0.19 0.20 2.10 -0.95 -3.30 116.57 116.10 1ukj h LYS 1678Ca 0.32 -0.19 -0.32 0.00 -2.00 0.00 0.00 60.65 58.46 1ukj h LYS 1678Cb -0.07 0.05 0.02 0.00 -0.90 0.00 0.00 32.23 31.33 1ukj h LYS 1678CO -0.09 0.92 -1.48 0.45 -2.00 0.00 0.00 179.45 177.24 1ukj h HIS 1679N 0.11 0.75 0.00 0.07 3.86 -1.26 -3.48 115.15 115.19 1ukj h HIS 1679Ca -0.04 -0.54 0.00 0.00 -1.16 0.00 0.00 60.37 58.63 1ukj h HIS 1679Cb 1.44 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.88 1ukj h HIS 1679CO 0.03 1.49 0.00 0.41 0.86 0.00 0.00 177.93 180.72 1ukj n GLY 1680N 1.69 1.39 3.83 2.45 0.00 0.43 -5.08 105.19 109.90 1ukj n GLY 1680Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1ukj n GLY 1680CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj s ALA 1681N -2.00 2.92 -0.25 4.61 0.00 -0.78 -4.96 121.76 121.29 1ukj s ALA 1681Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.01 1ukj s ALA 1681Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.92 1ukj s ALA 1681CO 0.00 -0.67 0.16 0.99 0.00 0.00 0.00 175.76 176.25 1ukj s THR 1682N -2.78 5.27 -0.25 0.00 2.01 0.42 -4.59 115.64 115.71 1ukj s THR 1682Ca 0.59 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.61 1ukj s THR 1682Cb -0.12 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1ukj s THR 1682CO 0.42 0.32 0.29 -0.69 -0.69 0.00 0.00 174.62 174.27 1ukj s VAL 1683N 1.30 5.25 -0.12 3.82 1.01 -1.26 0.35 120.40 130.75 1ukj s VAL 1683Ca 0.07 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1ukj s VAL 1683Cb -0.14 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1ukj s VAL 1683CO 0.07 0.24 -0.12 0.54 0.00 0.00 0.00 175.10 175.82 1ukj s VAL 1684N 1.63 1.34 -0.15 2.92 0.11 -0.24 -0.50 120.40 125.50 1ukj s VAL 1684Ca 0.12 -0.51 -0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1ukj s VAL 1684Cb -0.15 -1.27 -0.03 0.00 -1.53 0.00 0.00 36.38 33.40 1ukj s VAL 1684CO 0.09 0.42 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.58 1ukj s VAL 1685N 1.34 4.22 -0.70 2.04 1.01 -0.34 -2.84 120.40 125.14 1ukj s VAL 1685Ca -0.00 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 1ukj s VAL 1685Cb -0.14 -2.85 0.09 0.00 0.00 0.00 0.00 36.38 33.48 1ukj s VAL 1685CO -0.06 0.50 0.95 -0.62 0.00 0.00 0.00 175.10 175.88 1ukj s ASP 1686N 0.16 6.25 -0.34 3.32 -1.08 -0.49 -0.45 116.67 124.05 1ukj s ASP 1686Ca 0.01 -1.24 0.01 0.00 -0.52 0.00 0.00 52.55 50.80 1ukj s ASP 1686Cb -0.13 -2.40 0.35 0.00 -1.46 0.00 0.00 42.92 39.29 1ukj s ASP 1686CO 0.02 -1.33 1.77 -3.20 0.52 0.00 0.00 175.17 172.95 1ukj n ASN 1687N 7.30 4.96 -0.22 -0.34 4.05 -0.05 -4.00 115.26 126.96 1ukj n ASN 1687Ca 0.00 -3.12 -0.08 0.00 0.45 0.00 0.00 54.58 51.84 1ukj n ASN 1687Cb 0.46 -0.86 0.03 0.00 1.23 0.00 0.00 39.78 40.64 1ukj n ASN 1687CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1ukj h THR 1688N 0.79 1.25 -0.18 -0.44 2.02 -1.90 -1.85 112.91 112.61 1ukj h THR 1688Ca 0.39 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.52 1ukj h THR 1688Cb 1.59 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1ukj h THR 1688CO 0.82 0.34 -0.51 1.88 0.37 0.00 0.00 175.52 178.42 1ukj h TYR 1689N 0.91 0.60 0.05 3.16 -1.99 -1.91 -3.37 116.97 114.42 1ukj h TYR 1689Ca 0.20 -0.20 -0.29 0.00 2.00 0.00 0.00 58.73 60.43 1ukj h TYR 1689Cb 0.34 -0.12 -0.03 0.00 2.00 0.00 0.00 36.73 38.92 1ukj h TYR 1689CO 0.02 0.90 -1.59 0.00 -0.00 0.00 0.00 178.16 177.50 1ukj n THR 1691N -4.06 -0.08 0.26 0.00 -2.24 -0.70 -3.12 114.28 104.35 1ukj n THR 1691Ca -0.33 0.10 0.18 0.00 -2.27 0.00 0.00 64.05 61.73 1ukj n THR 1691Cb 0.83 -0.17 0.94 0.00 -2.10 0.00 0.00 70.33 69.84 1ukj n THR 1691CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ukj h PRO 1692N -0.18 0.00 -0.14 -0.78 0.13 -1.84 -1.95 132.00 127.24 1ukj h PRO 1692Ca -0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1ukj h PRO 1692Cb 0.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 1ukj h PRO 1692CO 0.01 0.00 -0.06 -0.92 -0.23 0.00 0.00 178.00 176.80 1ukj h TYR 1693N 0.00 0.33 0.00 1.56 3.20 -1.87 -3.35 116.97 116.84 1ukj h TYR 1693Ca 0.00 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 1ukj h TYR 1693Cb 0.02 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1ukj h TYR 1693CO 0.00 0.61 -1.46 1.28 -1.64 0.00 0.00 178.16 176.95 1ukj n LEU 1694N -4.67 0.54 -3.66 2.82 4.77 -0.98 -4.83 117.00 111.00 1ukj n LEU 1694Ca -0.06 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1ukj n LEU 1694Cb 0.28 0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1ukj n LEU 1694CO 0.37 -0.03 0.31 -1.58 -1.33 0.00 0.00 177.39 175.13 1ukj s GLN 1695N -3.28 0.71 -0.60 3.23 0.74 -0.77 -0.56 119.66 119.12 1ukj s GLN 1695Ca -0.04 0.94 0.04 0.00 0.05 0.00 0.00 55.36 56.35 1ukj s GLN 1695Cb 0.11 0.29 0.16 0.00 1.10 0.00 0.00 33.01 34.67 1ukj s GLN 1695CO 0.83 -0.10 0.42 1.03 -0.55 0.00 0.00 175.29 176.92 1ukj s ARG 1696N 0.65 1.97 0.52 1.67 0.52 -1.26 -3.92 118.95 119.10 1ukj s ARG 1696Ca -0.03 -2.90 0.29 0.00 -0.52 0.00 0.00 55.73 52.57 1ukj s ARG 1696Cb -0.05 -2.85 1.42 0.00 0.52 0.00 0.00 34.95 34.00 1ukj s ARG 1696CO -0.04 -1.29 1.90 -1.35 0.02 0.00 0.00 175.30 174.54 1ukj h PRO 1697N 5.63 0.05 -0.63 3.54 0.11 -1.93 0.51 132.00 139.27 1ukj h PRO 1697Ca 0.15 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 1ukj h PRO 1697Cb 0.81 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1ukj h PRO 1697CO 0.61 0.03 0.25 -0.07 -0.21 0.00 0.00 178.00 178.62 1ukj h LEU 1698N 0.05 0.85 0.00 2.35 4.07 -1.82 -0.99 115.31 119.82 1ukj h LEU 1698Ca 0.41 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1ukj h LEU 1698Cb 1.55 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1ukj h LEU 1698CO -0.03 0.76 0.00 -0.62 -1.08 0.00 0.00 178.44 177.47 1ukj n GLU 1699N -4.31 0.00 0.00 1.13 1.02 0.16 -2.52 120.64 116.13 1ukj n GLU 1699Ca 0.05 0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 1ukj n GLU 1699Cb 0.17 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.99 1ukj n GLU 1699CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ukj n LEU 1700N -1.50 0.55 0.00 -4.62 4.32 -0.48 -4.97 117.00 110.31 1ukj n LEU 1700Ca 0.05 -0.21 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1ukj n LEU 1700Cb 0.26 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.03 1ukj n LEU 1700CO 0.20 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1ukj n GLY 1701N 1.38 1.19 3.58 -0.72 0.00 -0.85 -3.76 105.19 106.02 1ukj n GLY 1701Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1ukj n GLY 1701CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj n ALA 1702N 0.00 -0.32 -0.03 4.61 0.00 -0.59 -4.86 120.51 119.32 1ukj n ALA 1702Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 1ukj n ALA 1702Cb 0.00 -2.05 -0.14 0.00 0.00 0.00 0.00 19.45 17.26 1ukj n ALA 1702CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ukj n ASP 1703N -0.95 1.63 -3.91 0.00 8.00 0.34 -4.53 116.55 117.13 1ukj n ASP 1703Ca 0.13 0.18 -0.10 0.00 0.71 0.00 0.00 54.79 55.71 1ukj n ASP 1703Cb 0.49 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 1ukj n ASP 1703CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ukj s LEU 1704N -6.60 1.84 0.01 0.64 1.43 -0.34 -3.96 118.68 111.70 1ukj s LEU 1704Ca -0.19 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1ukj s LEU 1704Cb 0.07 0.40 -0.02 0.00 0.03 0.00 0.00 46.19 46.68 1ukj s LEU 1704CO 0.76 -0.30 -0.18 0.54 0.23 0.00 0.00 176.35 177.40 1ukj s VAL 1705N -1.24 1.39 0.13 -1.59 0.11 0.35 -1.20 120.40 118.35 1ukj s VAL 1705Ca -0.13 -0.88 0.09 0.00 -2.93 0.00 0.00 61.98 58.13 1ukj s VAL 1705Cb -0.08 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1ukj s VAL 1705CO 0.00 0.29 -0.22 0.68 -3.33 0.00 0.00 175.10 172.51 1ukj s VAL 1706N -0.56 1.95 -0.01 2.04 -7.23 0.41 -0.97 120.40 116.02 1ukj s VAL 1706Ca 0.06 -1.71 -0.01 0.00 -1.81 0.00 0.00 61.98 58.50 1ukj s VAL 1706Cb -0.07 -1.78 -0.00 0.00 0.56 0.00 0.00 36.38 35.08 1ukj s VAL 1706CO 0.00 -0.07 0.03 -1.00 -0.31 0.00 0.00 175.10 173.75 1ukj s HIS 1707N -1.33 0.01 -0.94 2.82 3.76 0.10 -0.87 115.29 118.84 1ukj s HIS 1707Ca 0.11 -0.02 -0.14 0.00 -0.15 0.00 0.00 55.06 54.87 1ukj s HIS 1707Cb -0.09 -0.02 0.22 0.00 1.11 0.00 0.00 32.58 33.79 1ukj s HIS 1707CO 0.06 -0.05 0.96 0.45 -0.85 0.00 0.00 174.74 175.30 1ukj s SER 1708N -0.26 6.91 0.00 1.40 0.15 -1.26 -1.57 113.70 119.06 1ukj s SER 1708Ca -0.03 -2.84 0.07 0.00 0.70 0.00 0.00 55.95 53.85 1ukj s SER 1708Cb -0.02 -2.25 0.41 0.00 -1.71 0.00 0.00 66.02 62.45 1ukj s SER 1708CO -0.00 -0.59 0.91 0.00 1.20 0.00 0.00 173.24 174.76 1ukj n ALA 1709N 4.18 1.73 0.81 5.45 0.00 -0.65 -4.47 120.51 127.56 1ukj n ALA 1709Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ukj n ALA 1709Cb 0.45 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1ukj n ALA 1709CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ukj n THR 1710N -1.04 0.00 -0.34 0.00 -1.04 -1.07 -2.33 114.28 108.47 1ukj n THR 1710Ca 0.05 0.00 0.32 0.00 -2.04 0.00 0.00 64.05 62.38 1ukj n THR 1710Cb 0.03 -0.27 0.58 0.00 -1.82 0.00 0.00 70.33 68.85 1ukj n THR 1710CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ukj n TYR 1712N -0.03 1.04 -0.03 -1.42 4.01 -1.25 -4.67 117.16 114.81 1ukj n TYR 1712Ca 0.00 1.05 -0.08 0.00 -0.16 0.00 0.00 57.90 58.71 1ukj n TYR 1712Cb 0.10 -1.46 -0.02 0.00 -0.31 0.00 0.00 39.34 37.65 1ukj n TYR 1712CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1ukj h LEU 1713N 0.00 -0.43 -0.10 7.72 3.38 -1.85 -2.11 115.31 121.92 1ukj h LEU 1713Ca 0.82 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.72 1ukj h LEU 1713Cb 2.27 0.22 0.01 0.00 0.09 0.00 0.00 40.66 43.25 1ukj h LEU 1713CO -0.69 -0.17 -0.58 -1.28 0.09 0.00 0.00 178.44 175.81 1ukj h SER 1714N -0.13 0.69 0.00 -0.43 0.87 -1.76 -3.27 113.55 109.52 1ukj h SER 1714Ca 0.11 -0.65 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1ukj h SER 1714Cb 0.30 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1ukj h SER 1714CO -0.27 1.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.87 1ukj n GLY 1715N 0.74 0.51 0.08 5.77 0.00 -0.79 -4.55 105.19 106.96 1ukj n GLY 1715Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.95 1ukj n GLY 1715CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ukj n HIS 1716N -2.00 0.05 -4.15 1.61 8.25 -1.26 -1.48 115.22 116.24 1ukj n HIS 1716Ca 0.00 -0.38 -0.33 0.00 -0.26 0.00 0.00 57.72 56.75 1ukj n HIS 1716Cb 0.00 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 1ukj n HIS 1716CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ukj n GLY 1717N -0.25 -0.39 0.05 -1.41 0.00 -1.26 -4.85 105.19 97.09 1ukj n GLY 1717Ca 0.01 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1ukj n GLY 1717CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ukj n ASP 1718N -2.75 1.35 -3.75 1.61 5.68 -1.26 -5.04 116.55 112.39 1ukj n ASP 1718Ca -0.03 -1.29 -0.10 0.00 -0.50 0.00 0.00 54.79 52.87 1ukj n ASP 1718Cb 0.54 -0.01 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 1ukj n ASP 1718CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1ukj s ILE 1719N -0.32 0.10 -0.11 2.12 -4.36 -1.26 -5.12 121.20 112.25 1ukj s ILE 1719Ca 0.02 -0.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.61 1ukj s ILE 1719Cb 0.01 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.57 1ukj s ILE 1719CO 0.01 -0.46 -0.22 0.42 0.24 0.00 0.00 174.94 174.94 1ukj s THR 1720N -3.44 1.95 0.22 8.37 -4.23 -1.26 -4.58 115.64 112.67 1ukj s THR 1720Ca 0.01 -0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 59.47 1ukj s THR 1720Cb 0.02 -1.70 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 1ukj s THR 1720CO -0.09 0.53 0.39 0.00 -0.54 0.00 0.00 174.62 174.92 1ukj s ALA 1721N 0.51 -0.08 0.09 3.99 0.00 -1.24 -4.38 121.76 120.66 1ukj s ALA 1721Ca -0.15 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1ukj s ALA 1721Cb -0.17 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1ukj s ALA 1721CO 0.05 -0.77 -0.05 0.20 0.00 0.00 0.00 175.76 175.20 1ukj s GLY 1722N -3.01 0.75 -0.00 0.00 0.00 0.11 -1.63 107.32 103.53 1ukj s GLY 1722Ca 0.22 -1.34 -0.08 0.00 0.00 0.00 0.00 44.72 43.52 1ukj s GLY 1722CO 0.06 -1.43 0.16 -0.42 0.00 0.00 0.00 173.10 171.47 1ukj s ILE 1723N -3.72 0.08 -0.01 0.90 -1.09 -0.61 -1.81 121.20 114.94 1ukj s ILE 1723Ca 0.12 -0.62 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1ukj s ILE 1723Cb 0.06 -0.44 0.01 0.00 -1.58 0.00 0.00 42.46 40.52 1ukj s ILE 1723CO -0.05 -0.34 -0.01 -0.69 -1.23 0.00 0.00 174.94 172.62 1ukj s VAL 1724N -1.27 0.19 0.01 2.92 1.01 -0.87 -0.72 120.40 121.66 1ukj s VAL 1724Ca -0.14 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1ukj s VAL 1724Cb -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1ukj s VAL 1724CO 0.02 0.10 -0.04 -0.69 0.00 0.00 0.00 175.10 174.49 1ukj s VAL 1725N 0.45 0.25 -2.18 2.92 1.01 -0.14 -1.05 120.40 121.65 1ukj s VAL 1725Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ukj s VAL 1725Cb -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1ukj s VAL 1725CO -0.01 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1ukj n GLY 1726N 2.64 -0.68 3.54 4.51 0.00 0.12 -0.50 105.19 114.82 1ukj n GLY 1726Ca -0.15 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1ukj n GLY 1726CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ukj n SER 1727N 0.26 -0.87 -0.08 1.61 3.41 -1.25 -0.11 113.62 116.59 1ukj n SER 1727Ca 0.00 0.13 -0.12 0.00 -0.26 0.00 0.00 58.87 58.62 1ukj n SER 1727Cb 0.00 -1.34 -0.05 0.00 -0.26 0.00 0.00 64.21 62.56 1ukj n SER 1727CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1ukj h GLN 1728N -2.24 0.49 -0.10 4.33 5.75 -1.90 -2.45 115.11 118.99 1ukj h GLN 1728Ca -0.52 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 57.79 1ukj h GLN 1728Cb 1.30 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 1ukj h GLN 1728CO 0.44 0.76 -0.03 0.00 -2.65 0.00 0.00 178.83 177.35 1ukj h ALA 1729N 0.71 0.06 0.16 3.38 0.00 -1.99 -0.45 119.26 121.13 1ukj h ALA 1729Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ukj h ALA 1729Cb 0.62 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ukj h ALA 1729CO 0.04 -0.49 -0.08 -0.07 0.00 0.00 0.00 179.25 178.65 1ukj h LEU 1730N -0.01 -0.18 -1.45 0.00 3.38 -1.94 -3.16 115.31 111.96 1ukj h LEU 1730Ca 0.05 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 57.77 1ukj h LEU 1730Cb 0.08 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1ukj h LEU 1730CO -0.11 0.28 0.46 0.58 0.09 0.00 0.00 178.44 179.73 1ukj h VAL 1731N -0.68 0.97 -0.53 1.22 2.07 -1.45 -1.50 116.25 116.35 1ukj h VAL 1731Ca -0.02 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1ukj h VAL 1731Cb 0.50 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ukj h VAL 1731CO 0.04 0.12 0.29 0.44 0.02 0.00 0.00 177.57 178.47 1ukj h ASP 1732N 0.65 0.66 -0.55 0.57 5.19 -1.12 0.26 116.42 122.07 1ukj h ASP 1732Ca 0.31 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 1ukj h ASP 1732Cb 0.36 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.68 1ukj h ASP 1732CO -0.10 0.57 0.31 0.03 -3.12 0.00 0.00 179.24 176.93 1ukj h ARG 1733N 0.71 0.76 -0.72 3.56 3.08 -1.26 0.49 114.38 121.00 1ukj h ARG 1733Ca 0.19 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1ukj h ARG 1733Cb 0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1ukj h ARG 1733CO -0.03 0.58 0.38 0.82 -1.07 0.00 0.00 179.97 180.65 1ukj h ILE 1734N 0.74 1.23 0.33 2.04 2.04 -0.94 0.97 117.51 123.92 1ukj h ILE 1734Ca 0.20 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1ukj h ILE 1734Cb 0.03 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1ukj h ILE 1734CO -0.03 0.26 -0.16 -0.09 0.00 0.00 0.00 178.15 178.13 1ukj h ARG 1735N 1.00 -0.42 0.00 2.37 2.43 -0.58 0.51 114.38 119.69 1ukj h ARG 1735Ca 0.25 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1ukj h ARG 1735Cb 0.06 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1ukj h ARG 1735CO -0.04 -0.11 0.00 1.28 -1.51 0.00 0.00 179.97 179.59 1ukj n LEU 1736N -5.15 0.00 0.07 3.80 4.77 0.13 -1.46 117.00 119.15 1ukj n LEU 1736Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1ukj n LEU 1736Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1ukj n LEU 1736CO 0.31 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.37 1ukj n GLN 1737N -0.85 0.00 0.23 3.23 6.02 0.33 -4.67 117.38 121.67 1ukj n GLN 1737Ca 0.15 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.98 1ukj n GLN 1737Cb 0.07 -0.05 -0.08 0.00 1.02 0.00 0.00 30.24 31.19 1ukj n GLN 1737CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ukj h GLY 1738N 0.00 -0.57 0.36 1.08 0.00 -0.72 -2.03 103.07 101.18 1ukj h GLY 1738Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ukj h GLY 1738CO 0.00 -0.21 -0.09 -2.00 0.00 0.00 0.00 176.54 174.24 1ukj h LEU 1739N -0.62 -0.21 -0.61 3.11 6.46 -0.20 -2.89 115.31 120.34 1ukj h LEU 1739Ca -0.06 -0.30 0.03 0.00 -0.12 0.00 0.00 57.88 57.43 1ukj h LEU 1739Cb 0.46 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 1ukj h LEU 1739CO 0.09 0.32 0.38 0.50 -0.62 0.00 0.00 178.44 179.11 1ukj h LYS 1740N -0.90 0.72 0.00 1.25 3.64 -1.38 -2.27 116.57 117.64 1ukj h LYS 1740Ca -0.03 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.02 1ukj h LYS 1740Cb 0.50 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1ukj h LYS 1740CO 0.04 0.48 -2.08 -0.25 -2.27 0.00 0.00 179.45 175.37 1ukj n ASP 1741N -4.72 1.77 -4.58 4.20 8.00 -0.79 -4.77 116.55 115.65 1ukj n ASP 1741Ca 0.05 -0.05 -0.29 0.00 0.71 0.00 0.00 54.79 55.22 1ukj n ASP 1741Cb 0.08 0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.43 1ukj n ASP 1741CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ukj s MET 1742N -2.38 2.10 0.00 -1.24 -1.94 -1.03 -4.75 119.30 110.06 1ukj s MET 1742Ca -0.16 -1.10 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1ukj s MET 1742Cb 0.06 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.63 1ukj s MET 1742CO 0.55 0.48 0.00 0.25 -0.01 0.00 0.00 175.02 176.30 1ukj n THR 1743N 0.49 0.00 -3.86 2.05 -2.24 -1.26 -4.00 114.28 105.47 1ukj n THR 1743Ca -0.13 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.39 1ukj n THR 1743Cb 0.53 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1ukj n THR 1743CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ukj n GLY 1744N 0.00 -0.38 3.17 3.38 0.00 -0.85 -4.86 105.19 105.65 1ukj n GLY 1744Ca 0.00 0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ukj n GLY 1744CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj n ALA 1745N -4.47 4.60 -2.53 4.61 0.00 -1.26 -5.00 120.51 116.46 1ukj n ALA 1745Ca -0.14 -4.20 -0.41 0.00 0.00 0.00 0.00 53.44 48.69 1ukj n ALA 1745Cb 0.60 -3.13 -0.04 0.00 0.00 0.00 0.00 19.45 16.89 1ukj n ALA 1745CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ukj s VAL 1746N 1.51 4.76 0.05 0.00 1.01 -1.26 0.45 120.40 126.91 1ukj s VAL 1746Ca 0.43 1.94 -0.22 0.00 0.00 0.00 0.00 61.98 64.13 1ukj s VAL 1746Cb 0.04 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1ukj s VAL 1746CO 0.00 0.25 0.65 -0.22 0.00 0.00 0.00 175.10 175.78 1ukj s LEU 1747N 0.53 4.48 0.05 3.92 2.96 -1.26 -4.15 118.68 125.21 1ukj s LEU 1747Ca 0.47 1.32 -0.31 0.00 -0.22 0.00 0.00 54.13 55.39 1ukj s LEU 1747Cb -0.21 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 1ukj s LEU 1747CO 0.27 0.15 1.18 -0.55 -1.32 0.00 0.00 176.35 176.08 1ukj s SER 1748N -0.55 7.10 0.61 3.68 0.15 -1.26 -4.89 113.70 118.54 1ukj s SER 1748Ca 0.33 1.98 0.32 0.00 0.70 0.00 0.00 55.95 59.28 1ukj s SER 1748Cb -0.20 -2.58 1.86 0.00 -1.71 0.00 0.00 66.02 63.39 1ukj s SER 1748CO 0.20 -0.46 2.19 1.55 1.20 0.00 0.00 173.24 177.92 1ukj h PRO 1749N 6.83 0.00 -0.29 5.44 0.13 -1.96 0.28 132.00 142.43 1ukj h PRO 1749Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1ukj h PRO 1749Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ukj h PRO 1749CO 0.81 0.00 0.14 1.25 -0.23 0.00 0.00 178.00 179.97 1ukj h HIS 1750N 0.00 0.41 -0.31 1.56 -0.00 -1.94 0.13 115.15 115.00 1ukj h HIS 1750Ca 0.04 -0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.28 1ukj h HIS 1750Cb 0.26 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1ukj h HIS 1750CO 0.00 0.36 -0.25 -0.44 -0.00 0.00 0.00 177.93 177.60 1ukj h ASP 1751N 0.33 0.62 -0.67 3.26 3.45 -0.96 -1.33 116.42 121.12 1ukj h ASP 1751Ca 0.10 -0.22 -0.06 0.00 0.43 0.00 0.00 57.03 57.28 1ukj h ASP 1751Cb 0.10 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 38.68 1ukj h ASP 1751CO -0.01 0.86 0.20 0.00 -1.57 0.00 0.00 179.24 178.72 1ukj h ALA 1752N 1.19 0.88 0.01 3.45 0.00 -0.26 -0.43 119.26 124.10 1ukj h ALA 1752Ca 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ukj h ALA 1752Cb 0.72 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ukj h ALA 1752CO 0.06 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.86 1ukj h ALA 1753N 1.09 -0.02 -0.65 0.00 0.00 -0.51 0.66 119.26 119.83 1ukj h ALA 1753Ca 0.22 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.17 1ukj h ALA 1753Cb 0.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ukj h ALA 1753CO -0.01 -0.38 0.46 -0.07 0.00 0.00 0.00 179.25 179.25 1ukj h LEU 1754N -0.27 0.13 -0.01 0.00 3.38 -1.02 0.13 115.31 117.64 1ukj h LEU 1754Ca -0.00 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1ukj h LEU 1754Cb 0.26 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ukj h LEU 1754CO 0.00 0.06 -0.36 0.25 0.09 0.00 0.00 178.44 178.48 1ukj h LEU 1755N 0.13 0.34 -2.08 1.67 5.85 -0.22 -1.75 115.31 119.26 1ukj h LEU 1755Ca 0.31 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 1ukj h LEU 1755Cb 1.06 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1ukj h LEU 1755CO -0.04 1.04 -0.06 0.24 -0.34 0.00 0.00 178.44 179.28 1ukj h MET 1756N -0.32 0.00 0.61 1.25 2.86 0.12 -0.91 114.93 118.54 1ukj h MET 1756Ca -0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1ukj h MET 1756Cb 1.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.75 1ukj h MET 1756CO 0.07 0.06 -0.29 -0.09 1.06 0.00 0.00 176.91 177.72 1ukj h ARG 1757N 0.00 -0.79 -0.06 1.72 2.43 -0.68 -2.69 114.38 114.31 1ukj h ARG 1757Ca -0.00 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1ukj h ARG 1757Cb 0.13 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1ukj h ARG 1757CO 0.01 -0.50 0.07 0.78 -1.51 0.00 0.00 179.97 178.82 1ukj h GLY 1758N -1.17 0.00 2.00 2.80 0.00 -0.93 -1.47 103.07 104.29 1ukj h GLY 1758Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1ukj h GLY 1758CO 0.14 0.00 -0.53 -2.22 0.00 0.00 0.00 176.54 173.92 1ukj h ILE 1759N 0.00 1.18 -0.21 2.60 2.04 -1.07 -3.09 117.51 118.96 1ukj h ILE 1759Ca 0.03 -1.98 0.06 0.00 1.00 0.00 0.00 64.86 63.97 1ukj h ILE 1759Cb 0.17 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1ukj h ILE 1759CO -0.00 0.52 0.26 0.11 0.00 0.00 0.00 178.15 179.04 1ukj h LYS 1760N 0.00 0.00 -0.18 2.37 1.57 -0.92 0.11 116.57 119.52 1ukj h LYS 1760Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1ukj h LYS 1760Cb 1.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1ukj h LYS 1760CO 0.07 0.00 -0.17 0.25 -0.57 0.00 0.00 179.45 179.03 1ukj n THR 1761N -3.67 2.31 0.26 -0.16 -2.24 -1.17 -4.81 114.28 104.80 1ukj n THR 1761Ca 0.02 -2.67 -0.17 0.00 -2.27 0.00 0.00 64.05 58.97 1ukj n THR 1761Cb 0.39 -0.27 -0.08 0.00 -2.10 0.00 0.00 70.33 68.26 1ukj n THR 1761CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ukj h LEU 1762N 0.95 -1.11 -0.53 3.22 5.85 -0.82 -0.37 115.31 122.50 1ukj h LEU 1762Ca 0.09 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1ukj h LEU 1762Cb 1.33 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.69 1ukj h LEU 1762CO 0.19 -0.57 0.31 -0.55 -0.34 0.00 0.00 178.44 177.49 1ukj h ASN 1763N -0.85 0.50 -0.17 1.25 -1.07 -1.87 0.10 115.58 113.46 1ukj h ASN 1763Ca -0.04 0.01 0.02 0.00 0.07 0.00 0.00 56.30 56.36 1ukj h ASN 1763Cb 0.75 -0.10 -0.02 0.00 -2.07 0.00 0.00 38.32 36.88 1ukj h ASN 1763CO -0.05 0.35 0.04 -0.07 0.07 0.00 0.00 177.43 177.76 1ukj h LEU 1764N 0.62 0.01 -0.44 6.14 3.38 -1.88 0.50 115.31 123.65 1ukj h LEU 1764Ca 0.22 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 1ukj h LEU 1764Cb 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ukj h LEU 1764CO -0.11 0.03 0.12 0.03 0.09 0.00 0.00 178.44 178.61 1ukj h ARG 1765N 0.11 0.70 -0.53 1.13 3.08 -0.69 -2.64 114.38 115.53 1ukj h ARG 1765Ca 0.08 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1ukj h ARG 1765Cb 0.07 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1ukj h ARG 1765CO -0.10 0.69 0.08 0.52 -1.07 0.00 0.00 179.97 180.09 1ukj h MET 1766N 0.58 0.85 -0.94 0.04 2.86 -0.61 -0.32 114.93 117.39 1ukj h MET 1766Ca 0.14 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1ukj h MET 1766Cb 0.30 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1ukj h MET 1766CO -0.00 0.79 0.61 -0.44 1.06 0.00 0.00 176.91 178.93 1ukj h ASP 1767N 0.80 1.02 0.60 1.22 5.19 -0.65 -2.14 116.42 122.46 1ukj h ASP 1767Ca 0.17 -0.01 -0.27 0.00 -0.62 0.00 0.00 57.03 56.30 1ukj h ASP 1767Cb 0.36 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.65 1ukj h ASP 1767CO 0.01 0.70 -1.24 -0.09 -3.12 0.00 0.00 179.24 175.49 1ukj h ARG 1768N 1.18 0.29 -0.58 3.56 9.65 -1.09 -2.55 114.38 124.84 1ukj h ARG 1768Ca 0.38 -0.49 0.05 0.00 -1.10 0.00 0.00 59.98 58.82 1ukj h ARG 1768Cb 0.01 0.18 -0.05 0.00 -1.39 0.00 0.00 29.97 28.72 1ukj h ARG 1768CO -0.12 1.23 0.32 0.45 2.80 0.00 0.00 179.97 184.64 1ukj h HIS 1769N 0.08 0.58 -0.25 2.20 3.86 -0.83 -1.39 115.15 119.40 1ukj h HIS 1769Ca -0.14 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 58.93 1ukj h HIS 1769Cb 1.96 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 30.25 1ukj h HIS 1769CO 0.07 0.29 -0.52 0.00 0.86 0.00 0.00 177.93 178.62 1ukj h ALA 1771N 0.85 0.89 -0.33 0.00 0.00 -1.15 -0.59 119.26 118.93 1ukj h ALA 1771Ca 0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1ukj h ALA 1771Cb 1.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ukj h ALA 1771CO 0.11 0.63 -0.43 -0.91 0.00 0.00 0.00 179.25 178.65 1ukj h ASN 1772N 0.71 0.95 0.55 0.00 4.21 -1.26 -3.00 115.58 117.74 1ukj h ASN 1772Ca 0.11 -0.49 -0.02 0.00 1.21 0.00 0.00 56.30 57.10 1ukj h ASN 1772Cb 0.69 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 1ukj h ASN 1772CO 0.05 1.25 -0.29 0.00 -1.29 0.00 0.00 177.43 177.16 1ukj h ALA 1773N 0.72 -0.77 -0.47 -0.83 0.00 -0.97 -0.68 119.26 116.26 1ukj h ALA 1773Ca 0.04 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ukj h ALA 1773Cb 1.03 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 19.04 1ukj h ALA 1773CO 0.10 -0.94 -0.25 0.37 0.00 0.00 0.00 179.25 178.53 1ukj h GLN 1774N -0.77 -0.14 -0.49 0.00 5.75 -1.16 0.62 115.11 118.91 1ukj h GLN 1774Ca -0.07 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1ukj h GLN 1774Cb 0.60 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.16 1ukj h GLN 1774CO 0.11 -0.10 0.29 0.28 -2.65 0.00 0.00 178.83 176.76 1ukj h VAL 1775N -0.15 1.16 -0.34 2.39 2.07 -1.43 -0.76 116.25 119.19 1ukj h VAL 1775Ca 0.22 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1ukj h VAL 1775Cb 0.49 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1ukj h VAL 1775CO -0.56 0.16 0.09 0.25 0.02 0.00 0.00 177.57 177.53 1ukj h LEU 1776N 0.66 0.51 -1.92 2.57 6.46 0.11 -1.31 115.31 122.38 1ukj h LEU 1776Ca 0.18 -0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1ukj h LEU 1776Cb 0.01 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1ukj h LEU 1776CO -0.03 0.60 -0.12 0.00 -0.62 0.00 0.00 178.44 178.27 1ukj h ALA 1777N 0.93 1.33 0.00 1.25 0.00 0.41 -0.77 119.26 122.41 1ukj h ALA 1777Ca 0.11 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1ukj h ALA 1777Cb 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ukj h ALA 1777CO -0.00 0.15 -1.01 0.93 0.00 0.00 0.00 179.25 179.32 1ukj h GLU 1778N 0.00 0.00 0.04 0.00 5.08 -0.76 -2.83 114.58 116.11 1ukj h GLU 1778Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1ukj h GLU 1778Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ukj h GLU 1778CO 0.02 0.57 -1.04 0.35 -1.00 0.00 0.00 179.01 177.90 1ukj h PHE 1779N 0.00 0.20 -0.14 4.33 3.04 -0.39 -3.17 116.94 120.80 1ukj h PHE 1779Ca -0.08 -0.14 -0.20 0.00 3.98 0.00 0.00 57.97 61.53 1ukj h PHE 1779Cb 1.61 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 40.11 1ukj h PHE 1779CO 0.00 1.07 -0.73 -0.07 -2.02 0.00 0.00 178.31 176.56 1ukj h LEU 1780N 0.04 0.78 -1.15 0.59 3.38 -1.25 -3.17 115.31 114.52 1ukj h LEU 1780Ca -0.05 -0.50 0.15 0.00 0.09 0.00 0.00 57.88 57.57 1ukj h LEU 1780Cb 1.77 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 42.21 1ukj h LEU 1780CO 0.15 1.27 0.60 0.00 0.09 0.00 0.00 178.44 180.56 1ukj h ALA 1781N 0.72 1.71 -0.20 1.53 0.00 -1.50 0.26 119.26 121.78 1ukj h ALA 1781Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ukj h ALA 1781Cb 1.34 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ukj h ALA 1781CO 0.14 0.01 0.00 0.54 0.00 0.00 0.00 179.25 179.95 1ukj n ARG 1782N -4.62 1.61 -3.52 0.00 1.74 -1.20 -4.84 116.66 105.83 1ukj n ARG 1782Ca 0.19 -0.79 -0.37 0.00 -0.77 0.00 0.00 57.85 56.12 1ukj n ARG 1782Cb 0.46 -1.27 -0.07 0.00 -1.02 0.00 0.00 32.46 30.57 1ukj n ARG 1782CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ukj s GLN 1783N -1.68 4.24 0.02 5.56 -1.52 0.90 -4.97 119.66 122.21 1ukj s GLN 1783Ca 0.14 0.13 0.23 0.00 -1.95 0.00 0.00 55.36 53.91 1ukj s GLN 1783Cb 0.08 -3.42 0.97 0.00 -0.22 0.00 0.00 33.01 30.43 1ukj s GLN 1783CO 0.09 0.25 1.74 -0.35 -0.25 0.00 0.00 175.29 176.77 1ukj n PRO 1784N 3.51 0.02 0.12 2.91 -0.04 -1.26 -2.88 135.00 137.38 1ukj n PRO 1784Ca -0.12 0.12 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1ukj n PRO 1784Cb 0.52 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1ukj n PRO 1784CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1ukj h GLN 1785N 0.00 0.00 -5.95 0.54 4.20 -1.93 -3.45 115.11 108.52 1ukj h GLN 1785Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1ukj h GLN 1785Cb 0.41 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 1ukj h GLN 1785CO 0.00 0.07 -0.08 0.08 -0.67 0.00 0.00 178.83 178.23 1ukj s VAL 1786N -3.25 5.03 -0.26 -0.54 1.01 -1.14 0.25 120.40 121.50 1ukj s VAL 1786Ca 0.01 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.04 1ukj s VAL 1786Cb 0.08 -3.86 -0.16 0.00 0.00 0.00 0.00 36.38 32.45 1ukj s VAL 1786CO 0.77 0.41 -0.25 1.21 0.00 0.00 0.00 175.10 177.23 1ukj n GLU 1787N 2.95 0.63 -3.92 2.72 2.13 0.17 -4.78 120.64 120.54 1ukj n GLU 1787Ca -0.08 0.20 -0.10 0.00 0.66 0.00 0.00 57.16 57.83 1ukj n GLU 1787Cb 0.51 -1.52 -0.12 0.00 0.27 0.00 0.00 31.44 30.59 1ukj n GLU 1787CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1ukj s LEU 1788N -6.89 2.00 -0.03 4.31 2.96 -1.18 -4.98 118.68 114.87 1ukj s LEU 1788Ca -0.36 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 1ukj s LEU 1788Cb 0.11 0.19 0.01 0.00 0.50 0.00 0.00 46.19 47.00 1ukj s LEU 1788CO 0.57 -0.20 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.72 1ukj s ILE 1789N -0.88 0.54 -0.41 6.68 1.01 -1.26 0.35 121.20 127.22 1ukj s ILE 1789Ca -0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 1ukj s ILE 1789Cb -0.06 -0.53 0.11 0.00 0.01 0.00 0.00 42.46 41.99 1ukj s ILE 1789CO -0.00 0.20 0.21 -1.00 0.00 0.00 0.00 174.94 174.35 1ukj s HIS 1790N 0.57 3.54 -0.22 3.97 3.76 0.15 -4.92 115.29 122.14 1ukj s HIS 1790Ca -0.07 -2.26 -0.05 0.00 -0.15 0.00 0.00 55.06 52.52 1ukj s HIS 1790Cb -0.11 -3.18 0.11 0.00 1.11 0.00 0.00 32.58 30.52 1ukj s HIS 1790CO 0.00 -0.96 0.41 -0.47 -0.85 0.00 0.00 174.74 172.88 1ukj s TYR 1791N 1.19 -0.85 0.10 1.40 5.04 -1.26 -2.82 117.35 120.16 1ukj s TYR 1791Ca 0.07 1.29 0.14 0.00 -2.44 0.00 0.00 57.07 56.13 1ukj s TYR 1791Cb -0.23 0.22 0.77 0.00 0.35 0.00 0.00 41.96 43.06 1ukj s TYR 1791CO -0.03 -0.59 1.34 -1.35 -1.34 0.00 0.00 175.55 173.58 1ukj h PRO 1792N 8.17 0.00 0.01 4.97 0.11 -1.90 -1.26 132.00 142.10 1ukj h PRO 1792Ca -0.17 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.75 1ukj h PRO 1792Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ukj h PRO 1792CO 0.18 0.00 -0.89 0.78 -0.21 0.00 0.00 178.00 177.86 1ukj h GLY 1793N 0.00 0.05 -3.31 -0.55 0.00 -1.95 -3.46 103.07 93.85 1ukj h GLY 1793Ca 0.00 -0.10 -0.50 0.00 0.00 0.00 0.00 47.33 46.73 1ukj h GLY 1793CO 0.00 0.09 0.50 1.08 0.00 0.00 0.00 176.54 178.21 1ukj s LEU 1794N -7.08 4.29 0.47 3.11 1.43 -0.48 -4.92 118.68 115.50 1ukj s LEU 1794Ca -0.00 2.33 0.20 0.00 -1.03 0.00 0.00 54.13 55.62 1ukj s LEU 1794Cb 0.11 -3.91 1.17 0.00 0.03 0.00 0.00 46.19 43.58 1ukj s LEU 1794CO 0.81 -0.52 2.01 0.00 0.23 0.00 0.00 176.35 178.88 1ukj h ALA 1795N 2.96 1.47 0.00 4.21 0.00 -1.88 -2.01 119.26 124.01 1ukj h ALA 1795Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ukj h ALA 1795Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ukj h ALA 1795CO 0.64 0.22 0.00 0.66 0.00 0.00 0.00 179.25 180.77 1ukj h SER 1796N 0.00 0.00 -1.46 0.00 4.64 -1.93 -3.46 113.55 111.34 1ukj h SER 1796Ca -0.00 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.56 1ukj h SER 1796Cb 0.37 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1ukj h SER 1796CO 0.02 0.00 0.79 0.33 -0.87 0.00 0.00 176.83 177.10 1ukj n PHE 1797N -2.64 1.90 -0.28 4.77 7.35 -0.76 -4.84 117.46 122.96 1ukj n PHE 1797Ca 0.02 0.66 0.07 0.00 -0.76 0.00 0.00 57.45 57.44 1ukj n PHE 1797Cb 0.31 -2.40 0.18 0.00 0.35 0.00 0.00 39.48 37.92 1ukj n PHE 1797CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1ukj h PRO 1798N 6.42 0.07 -0.69 -7.13 0.11 -1.90 -0.20 132.00 128.67 1ukj h PRO 1798Ca -0.46 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 1ukj h PRO 1798Cb 1.33 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 32.26 1ukj h PRO 1798CO 0.93 0.04 0.29 1.04 -0.21 0.00 0.00 178.00 180.09 1ukj n GLN 1799N -5.41 2.90 -0.37 1.05 6.02 -1.26 -4.74 117.38 115.57 1ukj n GLN 1799Ca 0.16 -3.07 0.29 0.00 -0.01 0.00 0.00 57.00 54.37 1ukj n GLN 1799Cb 0.53 -2.10 0.59 0.00 1.02 0.00 0.00 30.24 30.28 1ukj n GLN 1799CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1ukj h TYR 1800N 1.82 0.51 0.20 1.08 3.20 -1.35 0.12 116.97 122.55 1ukj h TYR 1800Ca 0.34 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.94 1ukj h TYR 1800Cb 2.28 -0.14 0.03 0.00 1.54 0.00 0.00 36.73 40.44 1ukj h TYR 1800CO 1.25 -0.03 -1.23 1.15 -1.64 0.00 0.00 178.16 177.66 1ukj h THR 1801N 0.23 1.35 -0.42 1.81 2.02 -1.85 -2.87 112.91 113.20 1ukj h THR 1801Ca 0.67 -2.60 -0.09 0.00 0.77 0.00 0.00 66.41 65.15 1ukj h THR 1801Cb 1.99 3.03 -0.02 0.00 -1.74 0.00 0.00 68.15 71.41 1ukj h THR 1801CO -0.29 0.77 -0.11 0.25 0.37 0.00 0.00 175.52 176.51 1ukj h LEU 1802N 0.01 0.73 -0.13 2.58 6.46 -1.68 -2.92 115.31 120.36 1ukj h LEU 1802Ca -0.21 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.33 1ukj h LEU 1802Cb 1.96 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 1ukj h LEU 1802CO 0.23 0.87 0.08 0.00 -0.62 0.00 0.00 178.44 179.00 1ukj h ALA 1803N 1.20 0.16 0.00 1.25 0.00 -0.87 -2.72 119.26 118.29 1ukj h ALA 1803Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ukj h ALA 1803Cb 0.58 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ukj h ALA 1803CO 0.04 -0.32 0.00 0.54 0.00 0.00 0.00 179.25 179.51 1ukj n ARG 1804N -4.97 0.17 0.02 0.00 1.74 -1.08 -0.40 116.66 112.14 1ukj n ARG 1804Ca -0.05 0.43 0.11 0.00 -0.77 0.00 0.00 57.85 57.58 1ukj n ARG 1804Cb 0.05 -1.85 0.01 0.00 -1.02 0.00 0.00 32.46 29.66 1ukj n ARG 1804CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ukj n GLN 1805N -2.18 0.25 -0.06 5.56 10.64 -1.05 -4.37 117.38 126.17 1ukj n GLN 1805Ca 0.02 -0.01 -0.07 0.00 -1.83 0.00 0.00 57.00 55.11 1ukj n GLN 1805Cb 0.20 -1.57 -0.09 0.00 -0.86 0.00 0.00 30.24 27.92 1ukj n GLN 1805CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1ukj n GLN 1806N -1.89 1.78 -4.87 2.61 6.02 -0.97 -5.00 117.38 115.07 1ukj n GLN 1806Ca 0.02 0.01 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1ukj n GLN 1806Cb 0.42 -1.30 -0.13 0.00 1.02 0.00 0.00 30.24 30.25 1ukj n GLN 1806CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1ukj s MET 1807N -2.29 2.73 0.43 -1.09 -1.94 0.46 -4.54 119.30 113.08 1ukj s MET 1807Ca -0.08 -0.70 0.24 0.00 -1.71 0.00 0.00 55.69 53.44 1ukj s MET 1807Cb 0.04 -2.44 0.68 0.00 2.01 0.00 0.00 34.83 35.12 1ukj s MET 1807CO 0.46 0.51 1.72 0.66 -0.01 0.00 0.00 175.02 178.36 1ukj h SER 1808N 5.72 0.00 -3.93 3.03 4.64 -1.12 -3.41 113.55 118.47 1ukj h SER 1808Ca -0.41 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 1ukj h SER 1808Cb 1.17 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.01 1ukj h SER 1808CO 0.52 0.17 -0.38 -1.10 -0.87 0.00 0.00 176.83 175.17 1ukj s GLN 1809N -3.39 0.36 0.27 4.77 -0.21 -1.26 -5.04 119.66 115.15 1ukj s GLN 1809Ca 0.03 0.34 0.10 0.00 0.02 0.00 0.00 55.36 55.85 1ukj s GLN 1809Cb 0.08 0.17 0.53 0.00 1.00 0.00 0.00 33.01 34.79 1ukj s GLN 1809CO 0.65 -0.05 1.16 -0.35 -2.12 0.00 0.00 175.29 174.58 1ukj n PRO 1810N 2.79 0.07 0.00 2.91 -0.04 -1.26 -4.93 135.00 134.53 1ukj n PRO 1810Ca -0.14 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1ukj n PRO 1810Cb 0.58 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1ukj n PRO 1810CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ukj n GLY 1811N -1.27 -2.59 0.26 0.55 0.00 -1.26 -4.51 105.19 96.37 1ukj n GLY 1811Ca -0.01 -1.92 0.03 0.00 0.00 0.00 0.00 46.02 44.12 1ukj n GLY 1811CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukj n GLY 1812N -0.10 1.12 3.75 -0.02 0.00 -1.26 -3.92 105.19 104.75 1ukj n GLY 1812Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1ukj n GLY 1812CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ukj s MET 1813N -0.74 3.21 -0.01 1.61 -1.94 -1.26 -2.07 119.30 118.09 1ukj s MET 1813Ca 0.09 -0.31 0.03 0.00 -1.71 0.00 0.00 55.69 53.79 1ukj s MET 1813Cb 0.05 -2.96 -0.01 0.00 2.01 0.00 0.00 34.83 33.93 1ukj s MET 1813CO 0.07 0.70 -0.09 0.42 -0.01 0.00 0.00 175.02 176.11 1ukj s ILE 1814N -0.86 0.73 -0.00 2.53 1.01 -0.02 -4.86 121.20 119.74 1ukj s ILE 1814Ca 0.13 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1ukj s ILE 1814Cb -0.12 -0.62 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 1ukj s ILE 1814CO 0.03 0.21 -0.11 0.00 0.00 0.00 0.00 174.94 175.07 1ukj s ALA 1815N -0.14 0.94 0.22 9.38 0.00 -1.13 0.82 121.76 131.86 1ukj s ALA 1815Ca 0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 1ukj s ALA 1815Cb -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1ukj s ALA 1815CO -0.00 0.22 0.53 -0.59 0.00 0.00 0.00 175.76 175.92 1ukj s PHE 1816N -0.36 0.01 -0.08 0.00 -0.71 -0.64 0.35 117.98 116.55 1ukj s PHE 1816Ca 0.04 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.59 1ukj s PHE 1816Cb -0.05 0.37 -0.00 0.00 -1.21 0.00 0.00 43.02 42.13 1ukj s PHE 1816CO -0.00 -0.97 -0.22 -1.21 -1.34 0.00 0.00 175.22 171.48 1ukj s GLU 1817N -3.92 2.60 0.08 1.99 2.02 0.15 -0.80 118.70 120.82 1ukj s GLU 1817Ca 0.13 -0.78 -0.22 0.00 0.02 0.00 0.00 54.97 54.12 1ukj s GLU 1817Cb -0.01 -2.05 -0.07 0.00 0.10 0.00 0.00 34.13 32.10 1ukj s GLU 1817CO 0.01 0.20 0.65 -0.51 0.02 0.00 0.00 175.26 175.64 1ukj s LEU 1818N 0.26 4.51 0.39 1.80 1.43 0.04 0.43 118.68 127.55 1ukj s LEU 1818Ca -0.14 1.36 0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1ukj s LEU 1818Cb -0.16 -3.04 0.91 0.00 0.03 0.00 0.00 46.19 43.92 1ukj s LEU 1818CO 0.06 0.19 1.93 0.11 0.23 0.00 0.00 176.35 178.88 1ukj h LYS 1819N 4.85 0.56 -0.14 1.70 6.56 -0.50 -1.95 116.57 127.64 1ukj h LYS 1819Ca -0.47 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1ukj h LYS 1819Cb 1.21 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1ukj h LYS 1819CO 0.66 0.37 0.00 0.41 -2.06 0.00 0.00 179.45 178.83 1ukj n GLY 1820N -1.48 -0.61 7.00 3.86 0.00 -1.26 -4.99 105.19 107.70 1ukj n GLY 1820Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ukj n GLY 1820CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ukj n GLY 1821N 0.41 1.01 3.74 -0.02 0.00 -0.73 -3.85 105.19 105.74 1ukj n GLY 1821Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1ukj n GLY 1821CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ukj n ILE 1822N 0.00 1.62 0.00 -0.61 3.06 -0.33 -1.74 119.36 121.36 1ukj n ILE 1822Ca 0.00 -0.41 0.00 0.00 -2.50 0.00 0.00 62.75 59.84 1ukj n ILE 1822Cb 0.00 -1.84 0.00 0.00 0.54 0.00 0.00 39.64 38.34 1ukj n ILE 1822CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ukj n GLY 1823N 1.17 3.10 0.13 4.50 0.00 -1.26 -4.71 105.19 108.11 1ukj n GLY 1823Ca 0.05 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 1ukj n GLY 1823CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ukj h ALA 1824N 0.00 -0.01 -0.49 4.61 0.00 -1.44 -0.96 119.26 120.96 1ukj h ALA 1824Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1ukj h ALA 1824Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ukj h ALA 1824CO 0.00 0.38 -0.21 0.78 0.00 0.00 0.00 179.25 180.20 1ukj h GLY 1825N -0.20 1.10 0.76 0.00 0.00 -1.74 0.11 103.07 103.10 1ukj h GLY 1825Ca -0.11 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.23 1ukj h GLY 1825CO 0.14 0.88 0.00 -0.09 0.00 0.00 0.00 176.54 177.48 1ukj h ARG 1826N 0.87 0.20 -0.78 4.80 2.43 -1.84 0.12 114.38 120.18 1ukj h ARG 1826Ca 0.11 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ukj h ARG 1826Cb 0.80 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 1ukj h ARG 1826CO 0.07 0.45 0.37 0.00 -1.51 0.00 0.00 179.97 179.34 1ukj h ARG 1827N -0.07 1.13 0.87 0.20 3.08 -1.14 0.16 114.38 118.61 1ukj h ARG 1827Ca 0.03 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1ukj h ARG 1827Cb 0.35 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1ukj h ARG 1827CO 0.01 0.88 -0.42 0.35 -1.07 0.00 0.00 179.97 179.71 1ukj h PHE 1828N 1.11 -1.10 -0.41 3.04 3.04 -0.65 -2.68 116.94 119.30 1ukj h PHE 1828Ca 0.27 -0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.28 1ukj h PHE 1828Cb 0.13 0.36 -0.09 0.00 2.56 0.00 0.00 35.95 38.91 1ukj h PHE 1828CO 0.01 -0.68 -0.23 0.52 -2.02 0.00 0.00 178.31 175.91 1ukj h MET 1829N -1.18 -0.15 0.00 1.11 2.86 -0.84 0.64 114.93 117.37 1ukj h MET 1829Ca -0.12 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1ukj h MET 1829Cb 0.90 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1ukj h MET 1829CO 0.19 -0.10 0.00 0.09 1.06 0.00 0.00 176.91 178.15 1ukj n ASN 1830N -5.39 0.00 -0.01 1.22 5.03 0.53 -2.07 115.26 114.57 1ukj n ASN 1830Ca 0.02 -0.47 0.02 0.00 0.87 0.00 0.00 54.58 55.02 1ukj n ASN 1830Cb 0.30 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.00 1ukj n ASN 1830CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ukj n ALA 1831N -0.84 2.19 -1.60 5.41 0.00 0.17 -5.03 120.51 120.81 1ukj n ALA 1831Ca 0.06 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1ukj n ALA 1831Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 1ukj n ALA 1831CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ukj n LEU 1832N -1.88 2.11 0.00 0.00 4.77 -0.88 -4.80 117.00 116.33 1ukj n LEU 1832Ca -0.04 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.07 1ukj n LEU 1832Cb 0.32 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1ukj n LEU 1832CO 0.16 -1.40 -0.45 0.00 -1.33 0.00 0.00 177.39 174.38 1ukj n GLN 1833N 0.54 3.03 -0.13 3.23 6.02 -1.26 -4.83 117.38 123.98 1ukj n GLN 1833Ca 0.09 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.89 1ukj n GLN 1833Cb 0.35 -0.95 -0.12 0.00 1.02 0.00 0.00 30.24 30.54 1ukj n GLN 1833CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1ukj n LEU 1834N -1.93 2.89 -4.78 1.08 7.94 -1.26 -4.90 117.00 116.03 1ukj n LEU 1834Ca 0.00 -0.09 -0.36 0.00 -1.11 0.00 0.00 56.01 54.45 1ukj n LEU 1834Cb 0.45 -0.90 -0.01 0.00 0.53 0.00 0.00 43.42 43.49 1ukj n LEU 1834CO 0.00 0.91 0.79 -0.36 -1.11 0.00 0.00 177.39 177.61 1ukj s PHE 1835N -2.52 2.78 0.14 1.96 0.40 -1.26 -4.74 117.98 114.75 1ukj s PHE 1835Ca -0.35 1.55 0.04 0.00 -0.60 0.00 0.00 56.93 57.57 1ukj s PHE 1835Cb 0.10 -3.29 -0.04 0.00 0.51 0.00 0.00 43.02 40.30 1ukj s PHE 1835CO 0.59 -1.45 0.15 -1.12 0.70 0.00 0.00 175.22 174.10 1ukj s SER 1836N -1.68 5.68 -0.49 1.36 0.01 -0.39 -4.89 113.70 113.30 1ukj s SER 1836Ca 0.69 -0.05 -0.20 0.00 1.31 0.00 0.00 55.95 57.70 1ukj s SER 1836Cb -0.24 -1.54 0.05 0.00 0.21 0.00 0.00 66.02 64.49 1ukj s SER 1836CO 0.28 0.09 0.67 -0.13 0.41 0.00 0.00 173.24 174.56 1ukj s ARG 1837N -2.98 3.19 -0.18 12.44 0.52 -1.26 0.41 118.95 131.09 1ukj s ARG 1837Ca 0.31 -0.66 -0.33 0.00 -0.52 0.00 0.00 55.73 54.54 1ukj s ARG 1837Cb -0.11 -4.05 0.14 0.00 0.52 0.00 0.00 34.95 31.46 1ukj s ARG 1837CO 0.24 -1.19 1.17 0.00 0.02 0.00 0.00 175.30 175.54 1ukj s ALA 1838N 2.85 -2.03 0.68 2.13 0.00 -0.86 -4.95 121.76 119.58 1ukj s ALA 1838Ca 0.19 1.58 -0.09 0.00 0.00 0.00 0.00 51.96 53.65 1ukj s ALA 1838Cb -0.17 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1ukj s ALA 1838CO 0.15 -0.51 1.02 0.14 0.00 0.00 0.00 175.76 176.56 1ukj s VAL 1839N -2.10 3.10 0.00 0.00 -7.23 -1.26 -4.29 120.40 108.63 1ukj s VAL 1839Ca 0.07 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1ukj s VAL 1839Cb -0.01 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.62 1ukj s VAL 1839CO -0.05 -0.36 0.00 -0.24 -0.31 0.00 0.00 175.10 174.14 1ukj n SER 1840N -2.88 0.00 -2.30 4.85 2.88 -1.26 -5.05 113.62 109.86 1ukj n SER 1840Ca 0.06 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1ukj n SER 1840Cb 0.58 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1ukj n SER 1840CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ukj n LEU 1841N -0.65 0.00 -0.52 2.46 -0.00 -1.26 -4.88 117.00 112.15 1ukj n LEU 1841Ca 0.00 -1.87 -0.06 0.00 -0.00 0.00 0.00 56.01 54.08 1ukj n LEU 1841Cb 0.00 2.18 -0.02 0.00 -0.00 0.00 0.00 43.42 45.58 1ukj n LEU 1841CO 0.00 -0.52 -0.06 0.61 -0.00 0.00 0.00 177.39 177.42 1ukj n GLY 1842N -0.38 0.75 3.90 1.47 0.00 -1.26 -4.47 105.19 105.21 1ukj n GLY 1842Ca -0.03 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1ukj n GLY 1842CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ukj s ASP 1843N -2.90 5.73 0.51 1.61 1.01 -1.26 -3.38 116.67 117.99 1ukj s ASP 1843Ca 0.00 -0.24 0.28 0.00 0.71 0.00 0.00 52.55 53.30 1ukj s ASP 1843Cb 0.00 -1.34 1.33 0.00 1.01 0.00 0.00 42.92 43.92 1ukj s ASP 1843CO 0.00 -0.23 2.00 0.00 0.21 0.00 0.00 175.17 177.15 1ukj h ALA 1844N 1.21 1.15 -2.68 5.23 0.00 -1.59 -3.41 119.26 119.17 1ukj h ALA 1844Ca -0.48 -0.12 -0.58 0.00 0.00 0.00 0.00 54.91 53.73 1ukj h ALA 1844Cb 1.25 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1ukj h ALA 1844CO 0.58 0.17 -0.09 -1.21 0.00 0.00 0.00 179.25 178.71 1ukj s GLU 1845N -3.96 4.09 0.06 0.00 8.01 -1.26 -1.52 118.70 124.12 1ukj s GLU 1845Ca -0.01 0.62 -0.30 0.00 0.01 0.00 0.00 54.97 55.28 1ukj s GLU 1845Cb 0.12 -3.19 -0.05 0.00 -4.31 0.00 0.00 34.13 26.70 1ukj s GLU 1845CO 0.59 0.63 1.03 -1.12 0.01 0.00 0.00 175.26 176.39 1ukj s SER 1846N -1.20 7.34 0.14 -0.19 0.01 -1.26 -4.52 113.70 114.02 1ukj s SER 1846Ca 0.29 1.81 0.10 0.00 1.31 0.00 0.00 55.95 59.45 1ukj s SER 1846Cb -0.18 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 1ukj s SER 1846CO 0.18 -0.24 -0.22 -0.76 0.41 0.00 0.00 173.24 172.60 1ukj s LEU 1847N 0.60 2.36 0.05 2.44 1.43 -1.07 -1.27 118.68 123.22 1ukj s LEU 1847Ca 0.52 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1ukj s LEU 1847Cb -0.24 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 1ukj s LEU 1847CO 0.29 0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.91 1ukj s ALA 1848N -1.45 0.50 -0.26 4.21 0.00 0.16 -0.98 121.76 123.93 1ukj s ALA 1848Ca 0.13 -0.98 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1ukj s ALA 1848Cb -0.09 0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.28 1ukj s ALA 1848CO 0.06 -0.22 0.70 1.14 0.00 0.00 0.00 175.76 177.44 1ukj s GLN 1849N -2.78 0.81 -0.54 0.00 -2.07 -0.36 -2.02 119.66 112.70 1ukj s GLN 1849Ca -0.02 1.00 0.03 0.00 -1.82 0.00 0.00 55.36 54.55 1ukj s GLN 1849Cb -0.01 0.37 0.14 0.00 -1.09 0.00 0.00 33.01 32.42 1ukj s GLN 1849CO -0.05 -0.10 0.30 -1.58 -1.32 0.00 0.00 175.29 172.54 1ukj s HIS 1850N 0.49 3.23 0.21 9.60 5.65 -1.26 -0.77 115.29 132.44 1ukj s HIS 1850Ca -0.01 -3.12 -0.20 0.00 0.25 0.00 0.00 55.06 51.98 1ukj s HIS 1850Cb -0.05 -2.87 0.19 0.00 -1.18 0.00 0.00 32.58 28.66 1ukj s HIS 1850CO -0.01 -0.75 1.56 -1.35 -0.65 0.00 0.00 174.74 173.54 1ukj h PRO 1851N 6.52 -0.03 0.00 2.88 0.11 -1.94 0.11 132.00 139.65 1ukj h PRO 1851Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ukj h PRO 1851Cb 0.89 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ukj h PRO 1851CO 0.69 -0.02 0.43 0.00 -0.21 0.00 0.00 178.00 178.90 1ukj h ALA 1852N 1.21 1.37 0.00 -0.75 0.00 -1.83 0.22 119.26 119.47 1ukj h ALA 1852Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ukj h ALA 1852Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ukj h ALA 1852CO -0.94 -0.37 0.00 -1.13 0.00 0.00 0.00 179.25 176.82 1ukj n SER 1853N -2.41 0.31 0.00 0.00 3.41 0.18 -3.97 113.62 111.14 1ukj n SER 1853Ca -0.01 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1ukj n SER 1853Cb 0.46 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1ukj n SER 1853CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ukj n MET 1854N -0.21 0.00 0.09 4.33 2.81 -0.08 -4.54 117.12 119.52 1ukj n MET 1854Ca 0.00 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.83 1ukj n MET 1854Cb 0.07 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.66 1ukj n MET 1854CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ukj h THR 1855N 0.00 1.44 -0.36 2.03 1.35 -1.76 -3.26 112.91 112.36 1ukj h THR 1855Ca 0.00 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1ukj h THR 1855Cb 0.00 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1ukj h THR 1855CO 0.00 0.66 0.00 1.41 -0.25 0.00 0.00 175.52 177.34 1ukj n HIS 1856N -3.77 1.01 0.24 4.73 8.25 0.69 -4.47 115.22 121.90 1ukj n HIS 1856Ca -0.03 -0.75 0.17 0.00 -0.26 0.00 0.00 57.72 56.86 1ukj n HIS 1856Cb 0.69 -0.26 0.88 0.00 1.12 0.00 0.00 29.99 32.42 1ukj n HIS 1856CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ukj h SER 1857N 2.34 0.00 -0.19 0.41 4.64 -1.57 -2.14 113.55 117.05 1ukj h SER 1857Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1ukj h SER 1857Cb 1.34 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.40 1ukj h SER 1857CO 0.20 0.00 0.01 0.77 -0.87 0.00 0.00 176.83 176.94 1ukj h SER 1858N 0.00 -0.05 -0.54 4.97 4.64 -1.85 -3.44 113.55 117.29 1ukj h SER 1858Ca 0.06 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1ukj h SER 1858Cb 0.35 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1ukj h SER 1858CO -0.00 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.74 1ukj n TYR 1859N -5.12 -1.53 -4.28 4.77 4.02 -0.81 -5.08 117.16 109.13 1ukj n TYR 1859Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.71 1ukj n TYR 1859Cb 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.32 1ukj n TYR 1859CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1ukj s THR 1860N -0.46 1.17 0.25 -0.72 -4.23 -1.26 -4.92 115.64 105.46 1ukj s THR 1860Ca 0.00 -2.06 -0.12 0.00 -1.18 0.00 0.00 61.69 58.32 1ukj s THR 1860Cb 0.00 -2.02 0.34 0.00 1.34 0.00 0.00 72.50 72.16 1ukj s THR 1860CO 0.00 -0.61 1.57 -0.65 -0.54 0.00 0.00 174.62 174.40 1ukj h PRO 1861N 2.67 -0.02 0.66 3.99 0.11 -1.97 0.12 132.00 137.56 1ukj h PRO 1861Ca -0.37 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 1ukj h PRO 1861Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1ukj h PRO 1861CO 0.64 -0.01 -0.39 1.05 -0.21 0.00 0.00 178.00 179.08 1ukj h GLU 1862N -0.02 -0.95 0.00 1.05 9.09 -1.97 0.77 114.58 122.55 1ukj h GLU 1862Ca 0.40 0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.87 1ukj h GLU 1862Cb 0.63 0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 1ukj h GLU 1862CO -0.92 -0.63 0.00 0.39 0.05 0.00 0.00 179.01 177.90 1ukj n GLU 1863N -4.88 0.00 -0.28 1.06 1.02 -0.28 0.10 120.64 117.39 1ukj n GLU 1863Ca -0.12 0.80 -0.06 0.00 -0.02 0.00 0.00 57.16 57.76 1ukj n GLU 1863Cb 0.40 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 1ukj n GLU 1863CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ukj h ARG 1864N 0.00 -0.13 -0.01 3.49 3.08 -0.90 0.10 114.38 120.02 1ukj h ARG 1864Ca 0.00 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1ukj h ARG 1864Cb 0.00 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.02 1ukj h ARG 1864CO 0.00 -0.08 -0.51 0.00 -1.07 0.00 0.00 179.97 178.31 1ukj h ALA 1865N 0.86 -0.87 0.00 0.04 0.00 -0.19 0.62 119.26 119.72 1ukj h ALA 1865Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ukj h ALA 1865Cb 0.55 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1ukj h ALA 1865CO -0.80 -1.07 0.00 0.72 0.00 0.00 0.00 179.25 178.10 1ukj n HIS 1866N -5.46 0.00 0.14 0.00 8.25 0.28 -0.91 115.22 117.52 1ukj n HIS 1866Ca -0.07 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1ukj n HIS 1866Cb 0.39 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.53 1ukj n HIS 1866CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ukj n TYR 1867N -0.74 0.05 0.00 4.41 4.02 0.21 -5.00 117.16 120.10 1ukj n TYR 1867Ca 0.03 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1ukj n TYR 1867Cb 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1ukj n TYR 1867CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ukj n GLY 1868N 0.20 3.08 3.58 2.72 0.00 -0.09 -5.01 105.19 109.66 1ukj n GLY 1868Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ukj n GLY 1868CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ukj s ILE 1869N -2.89 4.68 1.35 -0.61 1.09 -0.80 -4.93 121.20 119.08 1ukj s ILE 1869Ca 0.00 0.88 -0.21 0.00 -1.10 0.00 0.00 60.65 60.22 1ukj s ILE 1869Cb 0.00 -4.26 0.34 0.00 -1.06 0.00 0.00 42.46 37.48 1ukj s ILE 1869CO 0.00 -0.51 0.98 -0.55 -0.10 0.00 0.00 174.94 174.76 1ukj s SER 1870N 1.91 -0.43 0.05 3.58 0.15 -1.26 -2.98 113.70 114.72 1ukj s SER 1870Ca 0.33 0.86 0.23 0.00 0.70 0.00 0.00 55.95 58.08 1ukj s SER 1870Cb -0.13 -1.24 0.15 0.00 -1.71 0.00 0.00 66.02 63.09 1ukj s SER 1870CO 0.18 -4.98 1.12 -0.62 1.20 0.00 0.00 173.24 170.15 1ukj n GLU 1871N -5.37 0.22 -0.72 5.44 -0.58 -1.26 -4.23 120.64 114.14 1ukj n GLU 1871Ca 0.12 0.01 0.05 0.00 -0.42 0.00 0.00 57.16 56.91 1ukj n GLU 1871Cb 0.59 -1.59 0.09 0.00 -0.57 0.00 0.00 31.44 29.97 1ukj n GLU 1871CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ukj n GLY 1872N 1.39 2.74 3.65 0.62 0.00 -1.26 -1.18 105.19 111.15 1ukj n GLY 1872Ca 0.03 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1ukj n GLY 1872CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ukj s LEU 1873N -1.43 4.12 0.03 0.99 2.96 -1.26 -0.78 118.68 123.32 1ukj s LEU 1873Ca 0.26 0.76 0.08 0.00 -0.22 0.00 0.00 54.13 55.01 1ukj s LEU 1873Cb 0.27 -2.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 1ukj s LEU 1873CO -0.06 -0.28 -0.23 0.68 -1.32 0.00 0.00 176.35 175.14 1ukj s VAL 1874N 2.02 1.85 -0.13 1.68 -7.23 0.02 -4.16 120.40 114.45 1ukj s VAL 1874Ca 0.27 -1.20 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1ukj s VAL 1874Cb -0.16 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.18 1ukj s VAL 1874CO 0.10 0.33 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.54 1ukj s ARG 1875N -1.03 3.42 -0.01 4.82 3.52 0.05 -1.62 118.95 128.09 1ukj s ARG 1875Ca 0.09 -0.60 0.06 0.00 -0.13 0.00 0.00 55.73 55.15 1ukj s ARG 1875Cb -0.09 -2.74 -0.03 0.00 -1.56 0.00 0.00 34.95 30.53 1ukj s ARG 1875CO 0.01 0.29 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.11 1ukj s LEU 1876N 0.19 2.58 -0.56 -0.88 1.43 0.24 -1.22 118.68 120.47 1ukj s LEU 1876Ca -0.05 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 52.72 1ukj s LEU 1876Cb -0.14 -1.51 0.14 0.00 0.03 0.00 0.00 46.19 44.71 1ukj s LEU 1876CO 0.04 0.31 0.34 -0.55 0.23 0.00 0.00 176.35 176.72 1ukj s SER 1877N -1.00 4.95 0.19 2.29 0.15 -0.15 -0.84 113.70 119.28 1ukj s SER 1877Ca 0.13 -2.78 -0.32 0.00 0.70 0.00 0.00 55.95 53.68 1ukj s SER 1877Cb -0.10 -1.78 -0.12 0.00 -1.71 0.00 0.00 66.02 62.31 1ukj s SER 1877CO 0.02 -0.35 1.74 0.54 1.20 0.00 0.00 173.24 176.39 1ukj s VAL 1878N 0.05 2.14 0.00 4.45 0.11 -0.88 -2.61 120.40 123.66 1ukj s VAL 1878Ca 0.16 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1ukj s VAL 1878Cb -0.22 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 1ukj s VAL 1878CO -0.03 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1ukj n GLY 1879N 4.02 0.86 0.93 6.54 0.00 -1.26 -4.83 105.19 111.45 1ukj n GLY 1879Ca 0.16 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.39 1ukj n GLY 1879CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ukj n LEU 1880N 0.00 2.79 -4.37 0.99 4.77 -0.57 -4.68 117.00 115.93 1ukj n LEU 1880Ca 0.00 -1.19 -0.29 0.00 -0.03 0.00 0.00 56.01 54.50 1ukj n LEU 1880Cb 0.00 -0.19 0.28 0.00 -2.33 0.00 0.00 43.42 41.17 1ukj n LEU 1880CO 0.00 0.59 0.42 -0.62 -1.33 0.00 0.00 177.39 176.45 1ukj n GLU 1881N 1.06 -3.44 -2.16 3.23 4.71 -1.26 -4.88 120.64 117.89 1ukj n GLU 1881Ca 0.18 -1.00 -0.42 0.00 -0.01 0.00 0.00 57.16 55.91 1ukj n GLU 1881Cb 0.50 -2.06 -0.03 0.00 -1.01 0.00 0.00 31.44 28.84 1ukj n GLU 1881CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1ukj s ASP 1882N -2.60 6.81 0.32 1.62 1.11 -1.26 -4.91 116.67 117.75 1ukj s ASP 1882Ca 0.68 2.24 0.08 0.00 0.18 0.00 0.00 52.55 55.73 1ukj s ASP 1882Cb -0.21 -2.57 0.79 0.00 1.07 0.00 0.00 42.92 42.00 1ukj s ASP 1882CO 0.63 -0.72 1.80 -0.29 1.18 0.00 0.00 175.17 177.77 1ukj h ILE 1883N 4.68 0.73 -0.07 0.77 6.09 -1.96 -0.28 117.51 127.46 1ukj h ILE 1883Ca -0.40 -0.25 -0.07 0.00 -1.37 0.00 0.00 64.86 62.77 1ukj h ILE 1883Cb 1.19 -0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.41 1ukj h ILE 1883CO 0.89 0.13 -0.29 -0.78 -3.07 0.00 0.00 178.15 175.04 1ukj h ASP 1884N 0.72 0.12 -0.25 2.19 3.58 -1.98 0.14 116.42 120.94 1ukj h ASP 1884Ca 0.55 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.87 1ukj h ASP 1884Cb 0.90 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 1ukj h ASP 1884CO -0.32 0.42 -0.17 0.44 -2.88 0.00 0.00 179.24 176.72 1ukj h ASP 1885N 0.11 0.59 -0.02 2.28 3.32 -1.46 -1.30 116.42 119.96 1ukj h ASP 1885Ca 0.02 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 1ukj h ASP 1885Cb 0.57 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ukj h ASP 1885CO 0.04 0.90 0.01 -0.07 -1.72 0.00 0.00 179.24 178.40 1ukj h LEU 1886N 0.28 0.03 -1.48 1.55 4.07 -1.04 -2.31 115.31 116.42 1ukj h LEU 1886Ca 0.05 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.84 1ukj h LEU 1886Cb 0.71 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.41 1ukj h LEU 1886CO 0.05 0.21 0.37 -0.07 -1.08 0.00 0.00 178.44 177.92 1ukj h LEU 1887N -0.16 0.60 -0.08 1.67 4.07 -0.72 -1.34 115.31 119.35 1ukj h LEU 1887Ca 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1ukj h LEU 1887Cb 0.19 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1ukj h LEU 1887CO -0.00 0.42 0.00 0.00 -1.08 0.00 0.00 178.44 177.78 1ukj h ALA 1888N 1.66 1.00 0.20 1.53 0.00 -1.13 -1.40 119.26 121.13 1ukj h ALA 1888Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.80 1ukj h ALA 1888Cb -0.00 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ukj h ALA 1888CO -0.05 0.00 -1.52 0.22 0.00 0.00 0.00 179.25 177.90 1ukj h ASP 1889N 0.00 0.67 0.21 0.00 3.58 -0.68 -2.51 116.42 117.69 1ukj h ASP 1889Ca 0.00 -0.80 -0.20 0.00 0.42 0.00 0.00 57.03 56.45 1ukj h ASP 1889Cb 0.85 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1ukj h ASP 1889CO 0.00 1.64 -0.81 0.58 -2.88 0.00 0.00 179.24 177.78 1ukj h VAL 1890N 0.12 1.37 0.08 2.25 2.07 -1.42 -1.98 116.25 118.73 1ukj h VAL 1890Ca -0.26 -2.21 -0.00 0.00 0.82 0.00 0.00 66.70 65.05 1ukj h VAL 1890Cb 2.11 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 34.06 1ukj h VAL 1890CO 0.23 0.67 -0.04 -0.61 0.02 0.00 0.00 177.57 177.84 1ukj h GLN 1891N 0.31 -0.10 -0.57 1.57 4.15 -1.33 0.23 115.11 119.37 1ukj h GLN 1891Ca -0.05 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1ukj h GLN 1891Cb 1.41 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 29.09 1ukj h GLN 1891CO 0.14 0.09 0.33 0.37 -1.93 0.00 0.00 178.83 177.84 1ukj h GLN 1892N -0.28 0.78 -0.69 1.69 -0.00 -1.49 -2.35 115.11 112.77 1ukj h GLN 1892Ca -0.01 -0.08 -0.07 0.00 -0.00 0.00 0.00 58.65 58.49 1ukj h GLN 1892Cb 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 27.53 1ukj h GLN 1892CO 0.02 0.57 0.15 0.00 0.00 0.00 0.00 178.83 179.57 1ukj h ALA 1893N 1.16 0.95 -0.69 3.38 0.00 -1.22 -1.97 119.26 120.87 1ukj h ALA 1893Ca 0.20 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ukj h ALA 1893Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1ukj h ALA 1893CO -0.04 0.66 0.45 1.25 0.00 0.00 0.00 179.25 181.58 1ukj h LEU 1894N 1.05 0.78 -1.19 0.00 5.85 -0.27 -0.48 115.31 121.05 1ukj h LEU 1894Ca 0.21 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.84 1ukj h LEU 1894Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1ukj h LEU 1894CO 0.01 0.56 -0.22 0.50 -0.34 0.00 0.00 178.44 178.95 1ukj h LYS 1895N 0.92 0.28 0.00 1.25 3.64 -1.16 -1.97 116.57 119.54 1ukj h LYS 1895Ca 0.26 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1ukj h LYS 1895Cb -0.09 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1ukj h LYS 1895CO -0.06 0.50 -0.04 0.00 -2.27 0.00 0.00 179.45 177.58 1ukj n ALA 1896N -2.48 2.40 1.19 5.00 0.00 -0.71 -3.00 120.51 122.90 1ukj n ALA 1896Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.39 1ukj n ALA 1896Cb 0.35 -1.44 0.21 0.00 0.00 0.00 0.00 19.45 18.56 1ukj n ALA 1896CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ukj n SER 1897N -1.64 1.45 0.00 0.00 3.41 -0.27 -4.69 113.62 111.88 1ukj n SER 1897Ca 0.07 -1.90 0.01 0.00 -0.26 0.00 0.00 58.87 56.79 1ukj n SER 1897Cb 0.36 -0.16 0.08 0.00 -0.26 0.00 0.00 64.21 64.23 1ukj n SER 1897CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88