#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe s SER 1509N 0.00 1.40 0.00 1.61 0.15 -1.26 -5.00 113.70 110.61 1xwe s SER 1509Ca 0.00 -0.06 0.20 0.00 0.70 0.00 0.00 55.95 56.79 1xwe s SER 1509Cb 0.00 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.08 1xwe s SER 1509CO 0.00 -0.26 0.98 0.00 1.20 0.00 0.00 173.24 175.15 1xwe n HIS 1510N 5.28 0.00 -3.61 3.44 -0.00 -1.26 -4.90 115.22 114.18 1xwe n HIS 1510Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.65 1xwe n HIS 1510Cb 0.50 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.44 1xwe n HIS 1510CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1xwe s MET 1511N -2.36 0.51 0.00 -1.40 1.75 -1.26 -5.01 119.30 111.53 1xwe s MET 1511Ca 0.15 1.30 0.00 0.00 -1.25 0.00 0.00 55.69 55.89 1xwe s MET 1511Cb 0.16 0.69 0.00 0.00 2.84 0.00 0.00 34.83 38.52 1xwe s MET 1511CO 0.56 -0.26 0.07 0.00 -0.65 0.00 0.00 175.02 174.74 1xwe n ALA 1512N 5.43 0.42 -1.00 4.11 0.00 -1.26 -5.07 120.51 123.15 1xwe n ALA 1512Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xwe n ALA 1512Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1xwe n ALA 1512CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xwe n ASP 1513N -0.05 0.00 -3.26 0.00 9.92 -1.26 -4.82 116.55 117.08 1xwe n ASP 1513Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 1xwe n ASP 1513Cb 0.15 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.65 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xwe n GLY 1515N -0.42 0.84 3.36 0.00 0.00 -0.13 -3.96 105.19 104.87 1xwe n GLY 1515Ca -0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.46 1xwe n GLY 1515CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xwe n GLN 1516N 0.00 0.52 -2.42 1.61 6.02 -1.25 -4.01 117.38 117.85 1xwe n GLN 1516Ca 0.00 0.14 -0.14 0.00 -0.01 0.00 0.00 57.00 56.99 1xwe n GLN 1516Cb 0.00 -1.99 0.05 0.00 1.02 0.00 0.00 30.24 29.32 1xwe n GLN 1516CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe n MET 1517N 7.90 0.73 -3.33 -1.09 0.00 -1.16 -3.67 117.12 116.51 1xwe n MET 1517Ca 0.49 -2.21 -0.20 0.00 0.00 0.00 0.00 57.70 55.78 1xwe n MET 1517Cb 0.10 -0.15 0.01 0.00 0.00 0.00 0.00 33.22 33.18 1xwe n MET 1517CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1xwe s GLN 1518N -3.84 2.51 -0.13 3.17 -1.52 -0.97 -4.96 119.66 113.91 1xwe s GLN 1518Ca 0.42 -1.56 -0.02 0.00 -1.95 0.00 0.00 55.36 52.25 1xwe s GLN 1518Cb -0.03 -2.50 0.02 0.00 -0.22 0.00 0.00 33.01 30.28 1xwe s GLN 1518CO 0.27 -0.45 2.36 0.39 -0.25 0.00 0.00 175.29 177.60 1xwe n GLU 1519N -1.84 1.53 0.00 2.91 -0.58 -1.26 -4.87 120.64 116.53 1xwe n GLU 1519Ca 0.07 -0.84 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1xwe n GLU 1519Cb 0.61 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 1xwe n GLU 1519CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1xwe n GLU 1520N 1.28 0.00 -3.50 3.49 2.13 -1.26 -4.11 120.64 118.67 1xwe n GLU 1520Ca 0.21 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.60 1xwe n GLU 1520Cb 0.60 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.24 1xwe n GLU 1520CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1xwe s LEU 1521N 0.00 5.91 -0.07 4.31 1.43 -1.26 -4.73 118.68 124.27 1xwe s LEU 1521Ca 0.00 -2.19 -0.03 0.00 -1.03 0.00 0.00 54.13 50.88 1xwe s LEU 1521Cb 0.00 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.21 1xwe s LEU 1521CO 0.00 -0.65 0.14 1.51 0.23 0.00 0.00 176.35 177.59 1xwe s ASP 1522N 2.41 0.60 0.00 2.29 -4.77 -1.26 -5.12 116.67 110.82 1xwe s ASP 1522Ca 0.09 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.64 1xwe s ASP 1522Cb -0.23 0.21 0.00 0.00 -1.09 0.00 0.00 42.92 41.81 1xwe s ASP 1522CO -0.02 -0.22 0.00 0.18 0.70 0.00 0.00 175.17 175.81 1xwe n LEU 1523N 5.07 0.00 -1.44 2.11 4.77 -1.26 -4.61 117.00 121.64 1xwe n LEU 1523Ca -0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 1xwe n LEU 1523Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1xwe n LEU 1523CO 0.08 0.00 -0.13 0.35 -1.33 0.00 0.00 177.39 176.36 1xwe n THR 1524N 0.00 -0.04 -3.79 -5.08 -2.24 -1.26 -4.90 114.28 96.97 1xwe n THR 1524Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1xwe n THR 1524Cb 0.00 -1.26 -0.16 0.00 -2.10 0.00 0.00 70.33 66.81 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xwe s ILE 1525N -2.12 0.91 1.05 2.28 1.01 -1.26 -5.14 121.20 117.93 1xwe s ILE 1525Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 1xwe s ILE 1525Cb 0.00 -1.43 0.22 0.00 0.01 0.00 0.00 42.46 41.25 1xwe s ILE 1525CO 0.00 -0.31 1.15 -0.94 0.00 0.00 0.00 174.94 174.84 1xwe s SER 1526N 1.66 2.29 0.00 3.58 1.04 -1.26 -4.93 113.70 116.07 1xwe s SER 1526Ca 0.01 0.74 0.29 0.00 0.48 0.00 0.00 55.95 57.47 1xwe s SER 1526Cb -0.18 -1.10 1.48 0.00 0.10 0.00 0.00 66.02 66.32 1xwe s SER 1526CO -0.12 -3.29 2.02 0.00 0.98 0.00 0.00 173.24 172.83 1xwe n ALA 1527N -4.22 2.45 0.99 5.32 0.00 -1.26 -2.79 120.51 121.00 1xwe n ALA 1527Ca 0.10 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.52 1xwe n ALA 1527Cb 0.59 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.61 1xwe n ALA 1527CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xwe n GLU 1528N -1.28 1.76 0.02 0.00 1.02 -1.26 -3.28 120.64 117.62 1xwe n GLU 1528Ca 0.14 -1.46 -0.10 0.00 -0.02 0.00 0.00 57.16 55.73 1xwe n GLU 1528Cb 0.23 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 30.05 1xwe n GLU 1528CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1xwe h THR 1529N 3.55 1.17 0.00 2.62 2.02 -1.89 -3.32 112.91 117.06 1xwe h THR 1529Ca 0.00 -2.94 -0.37 0.00 0.77 0.00 0.00 66.41 63.87 1xwe h THR 1529Cb 0.87 2.62 -0.07 0.00 -1.74 0.00 0.00 68.15 69.83 1xwe h THR 1529CO 0.00 0.71 -2.36 0.54 0.37 0.00 0.00 175.52 174.78 1xwe n ARG 1530N -3.23 0.68 -0.36 6.66 1.74 -1.26 -4.40 116.66 116.50 1xwe n ARG 1530Ca -0.12 0.04 0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1xwe n ARG 1530Cb 1.01 -1.54 0.17 0.00 -1.02 0.00 0.00 32.46 31.09 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1xwe h LYS 1531N 0.00 1.10 -0.04 5.56 3.64 -1.72 0.15 116.57 125.25 1xwe h LYS 1531Ca -0.54 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1xwe h LYS 1531Cb 2.16 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1xwe h LYS 1531CO 0.01 0.73 0.07 1.96 -2.27 0.00 0.00 179.45 179.95 1xwe h GLN 1532N 1.13 0.00 0.00 1.90 1.08 -1.77 0.22 115.11 117.67 1xwe h GLN 1532Ca 0.43 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.55 1xwe h GLN 1532Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1xwe h GLN 1532CO -0.18 0.00 -0.98 1.15 -0.95 0.00 0.00 178.83 177.87 1xwe h THR 1533N 0.00 0.30 0.00 -0.54 2.02 -0.96 -1.74 112.91 111.99 1xwe h THR 1533Ca 0.02 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1xwe h THR 1533Cb 0.16 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.45 1xwe h THR 1533CO -0.00 0.17 0.00 0.00 0.37 0.00 0.00 175.52 176.06 1xwe n ALA 1534N -2.26 2.47 -1.50 6.16 0.00 0.75 -3.21 120.51 122.92 1xwe n ALA 1534Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xwe n ALA 1534Cb 0.68 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1xwe n ALA 1534CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwe s LYS 1536N 0.00 4.34 0.21 0.00 2.20 -0.65 -4.93 119.74 120.90 1xwe s LYS 1536Ca 0.00 2.23 -0.13 0.00 -0.36 0.00 0.00 55.97 57.71 1xwe s LYS 1536Cb 0.00 -3.08 0.24 0.00 -1.51 0.00 0.00 37.83 33.48 1xwe s LYS 1536CO 0.00 -0.23 1.64 -1.35 -0.36 0.00 0.00 175.35 175.05 1xwe h PRO 1537N 3.71 0.03 0.00 4.03 0.11 -1.93 0.14 132.00 138.09 1xwe h PRO 1537Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1xwe h PRO 1537Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xwe h PRO 1537CO 0.68 0.02 -0.14 1.05 -0.21 0.00 0.00 178.00 179.40 1xwe h GLU 1538N 0.03 0.00 -6.59 1.05 4.11 -1.97 -3.42 114.58 107.79 1xwe h GLU 1538Ca 0.30 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.22 1xwe h GLU 1538Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1xwe h GLU 1538CO -0.60 0.14 0.26 0.42 0.07 0.00 0.00 179.01 179.30 1xwe s ILE 1539N -4.71 4.30 -0.12 -1.06 -1.09 0.48 -3.77 121.20 115.24 1xwe s ILE 1539Ca -0.04 1.87 0.13 0.00 -2.23 0.00 0.00 60.65 60.39 1xwe s ILE 1539Cb 0.16 -4.22 -0.20 0.00 -1.58 0.00 0.00 42.46 36.62 1xwe s ILE 1539CO 0.68 0.48 0.34 0.00 -1.23 0.00 0.00 174.94 175.21 1xwe n ALA 1540N 1.77 2.70 -3.31 9.38 0.00 0.18 -4.62 120.51 126.61 1xwe n ALA 1540Ca -0.03 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 52.97 1xwe n ALA 1540Cb 0.48 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 1xwe n ALA 1540CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xwe s TYR 1541N -2.80 -0.45 -0.38 0.00 -0.85 -0.79 -3.52 117.35 108.57 1xwe s TYR 1541Ca -0.03 0.21 0.04 0.00 -0.52 0.00 0.00 57.07 56.77 1xwe s TYR 1541Cb 0.09 0.48 0.16 0.00 0.38 0.00 0.00 41.96 43.07 1xwe s TYR 1541CO 0.55 -0.81 0.41 0.00 -1.52 0.00 0.00 175.55 174.18 1xwe s ALA 1542N -3.77 -0.60 0.29 9.51 0.00 -0.90 -1.63 121.76 124.66 1xwe s ALA 1542Ca 0.02 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1xwe s ALA 1542Cb -0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.93 1xwe s ALA 1542CO -0.13 -2.16 0.07 1.52 0.00 0.00 0.00 175.76 175.06 1xwe s TYR 1543N 1.39 1.74 -0.38 0.00 -0.85 -0.75 -1.43 117.35 117.07 1xwe s TYR 1543Ca 0.18 -1.05 -0.11 0.00 -0.52 0.00 0.00 57.07 55.56 1xwe s TYR 1543Cb -0.13 -1.08 0.03 0.00 0.38 0.00 0.00 41.96 41.16 1xwe s TYR 1543CO -0.03 -0.15 0.22 0.21 -1.52 0.00 0.00 175.55 174.28 1xwe s LYS 1544N -3.95 2.82 0.66 -3.49 2.20 -0.67 -1.80 119.74 115.50 1xwe s LYS 1544Ca 0.36 -1.10 0.02 0.00 -0.36 0.00 0.00 55.97 54.89 1xwe s LYS 1544Cb 0.08 -3.76 0.10 0.00 -1.51 0.00 0.00 37.83 32.74 1xwe s LYS 1544CO 0.14 -0.72 0.91 0.08 -0.36 0.00 0.00 175.35 175.40 1xwe s VAL 1545N 1.56 2.23 -0.28 4.02 1.01 0.14 0.07 120.40 129.14 1xwe s VAL 1545Ca 0.02 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1xwe s VAL 1545Cb -0.19 -2.53 0.17 0.00 0.00 0.00 0.00 36.38 33.83 1xwe s VAL 1545CO 0.07 0.00 0.49 -0.94 0.00 0.00 0.00 175.10 174.72 1xwe s SER 1546N -4.67 -0.56 0.25 3.32 1.04 0.12 -1.71 113.70 111.48 1xwe s SER 1546Ca 0.64 0.15 -0.30 0.00 0.48 0.00 0.00 55.95 56.92 1xwe s SER 1546Cb -0.06 1.58 -0.14 0.00 0.10 0.00 0.00 66.02 67.50 1xwe s SER 1546CO 0.42 -0.31 1.13 -0.38 0.98 0.00 0.00 173.24 175.08 1xwe n ILE 1547N 5.39 1.49 -0.04 -1.02 2.08 -1.21 -0.92 119.36 125.12 1xwe n ILE 1547Ca 0.01 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.94 1xwe n ILE 1547Cb 0.51 -1.05 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 1xwe n ILE 1547CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1xwe n THR 1548N 0.88 0.00 -3.80 1.39 5.66 -1.02 -3.27 114.28 114.12 1xwe n THR 1548Ca 0.11 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.99 1xwe n THR 1548Cb 0.30 0.51 -0.09 0.00 -1.55 0.00 0.00 70.33 69.49 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1xwe s SER 1549N 0.00 -0.12 -0.07 1.09 0.15 -0.55 -4.95 113.70 109.25 1xwe s SER 1549Ca 0.00 0.01 -0.08 0.00 0.70 0.00 0.00 55.95 56.58 1xwe s SER 1549Cb 0.00 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1xwe s SER 1549CO 0.00 -0.40 0.22 -0.63 1.20 0.00 0.00 173.24 173.63 1xwe s ILE 1550N -1.26 0.01 -0.30 6.45 1.01 -1.26 -1.16 121.20 124.69 1xwe s ILE 1550Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1xwe s ILE 1550Cb -0.06 -0.34 0.14 0.00 0.01 0.00 0.00 42.46 42.21 1xwe s ILE 1550CO 0.03 -0.04 0.31 -0.89 0.00 0.00 0.00 174.94 174.35 1xwe s THR 1551N -0.08 -0.40 -0.05 2.92 2.01 -0.89 -4.99 115.64 114.16 1xwe s THR 1551Ca -0.02 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1xwe s THR 1551Cb -0.02 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.50 1xwe s THR 1551CO 0.01 -0.48 0.27 0.54 -0.69 0.00 0.00 174.62 174.26 1xwe s VAL 1552N 2.22 5.29 0.00 3.82 0.11 -1.26 -1.04 120.40 129.54 1xwe s VAL 1552Ca 0.11 0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 1xwe s VAL 1552Cb -0.14 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 1xwe s VAL 1552CO -0.28 0.56 0.00 -0.62 -3.33 0.00 0.00 175.10 171.43 1xwe n GLU 1553N 1.77 1.82 0.29 1.54 -0.58 -0.76 -4.99 120.64 119.72 1xwe n GLU 1553Ca -0.16 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.74 1xwe n GLU 1553Cb 0.54 0.00 0.89 0.00 -0.57 0.00 0.00 31.44 32.30 1xwe n GLU 1553CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1xwe h ASN 1554N 0.00 0.00 0.00 1.62 2.35 -2.05 -3.42 115.58 114.08 1xwe h ASN 1554Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1xwe h ASN 1554Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1xwe h ASN 1554CO 0.00 0.05 0.00 0.55 -1.65 0.00 0.00 177.43 176.38 1xwe n VAL 1555N -3.53 0.00 -1.97 2.81 3.14 -1.26 -5.10 118.33 112.41 1xwe n VAL 1555Ca -0.02 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.96 1xwe n VAL 1555Cb 0.16 -0.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1xwe s PHE 1556N -0.07 2.69 0.01 1.45 0.40 -1.26 -4.09 117.98 117.11 1xwe s PHE 1556Ca 0.00 1.37 0.06 0.00 -0.60 0.00 0.00 56.93 57.76 1xwe s PHE 1556Cb 0.00 -3.74 -0.02 0.00 0.51 0.00 0.00 43.02 39.77 1xwe s PHE 1556CO 0.00 -2.35 -0.18 0.54 0.70 0.00 0.00 175.22 173.92 1xwe s VAL 1557N -1.26 1.46 0.12 -0.44 0.11 -0.97 -1.84 120.40 117.59 1xwe s VAL 1557Ca 0.59 -0.92 0.08 0.00 -2.93 0.00 0.00 61.98 58.80 1xwe s VAL 1557Cb -0.39 -1.24 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 1xwe s VAL 1557CO 0.50 0.31 -0.14 -0.54 -3.33 0.00 0.00 175.10 171.90 1xwe s LYS 1558N -0.71 1.96 -0.27 1.54 3.01 -0.20 -1.68 119.74 123.39 1xwe s LYS 1558Ca 0.07 -1.12 -0.04 0.00 -1.01 0.00 0.00 55.97 53.87 1xwe s LYS 1558Cb -0.08 -2.21 0.09 0.00 -1.01 0.00 0.00 37.83 34.63 1xwe s LYS 1558CO 0.00 0.49 0.13 0.71 0.51 0.00 0.00 175.35 177.19 1xwe s TYR 1559N -1.23 0.29 0.04 3.18 2.02 -0.24 -2.08 117.35 119.34 1xwe s TYR 1559Ca 0.20 -0.79 -0.18 0.00 -0.37 0.00 0.00 57.07 55.93 1xwe s TYR 1559Cb -0.11 -0.87 -0.06 0.00 -0.40 0.00 0.00 41.96 40.53 1xwe s TYR 1559CO 0.12 -0.79 0.51 0.15 -1.57 0.00 0.00 175.55 173.98 1xwe s LYS 1560N 2.11 4.11 0.29 -0.62 1.02 -0.31 -1.29 119.74 125.04 1xwe s LYS 1560Ca 0.08 0.62 -0.01 0.00 0.02 0.00 0.00 55.97 56.68 1xwe s LYS 1560Cb -0.16 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1xwe s LYS 1560CO -0.33 0.64 0.32 0.00 -0.92 0.00 0.00 175.35 175.06 1xwe s ALA 1561N -1.03 1.06 -0.07 5.17 0.00 -0.98 -1.48 121.76 124.43 1xwe s ALA 1561Ca 0.27 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.63 1xwe s ALA 1561Cb -0.18 1.30 -0.01 0.00 0.00 0.00 0.00 23.12 24.23 1xwe s ALA 1561CO 0.17 -0.71 -0.22 0.99 0.00 0.00 0.00 175.76 175.99 1xwe s THR 1562N -3.61 2.29 -0.80 0.00 2.01 -0.10 -2.80 115.64 112.63 1xwe s THR 1562Ca 0.35 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 61.12 1xwe s THR 1562Cb 0.02 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1xwe s THR 1562CO 0.19 0.57 1.56 -0.76 -0.69 0.00 0.00 174.62 175.48 1xwe s LEU 1563N -0.12 3.27 0.49 4.42 1.43 -1.05 0.15 118.68 127.28 1xwe s LEU 1563Ca -0.04 -0.53 0.18 0.00 -1.03 0.00 0.00 54.13 52.70 1xwe s LEU 1563Cb -0.14 -2.55 1.21 0.00 0.03 0.00 0.00 46.19 44.74 1xwe s LEU 1563CO 0.04 -2.03 2.05 -0.07 0.23 0.00 0.00 176.35 176.57 1xwe h LEU 1564N 14.53 0.13 -7.40 1.79 3.38 -0.62 0.63 115.31 127.75 1xwe h LEU 1564Ca -0.10 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.09 1xwe h LEU 1564Cb 1.06 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 1xwe h LEU 1564CO 1.29 0.09 0.63 -0.62 0.09 0.00 0.00 178.44 179.91 1xwe s ASP 1565N -6.56 -0.15 -0.04 -0.43 2.15 -0.87 -4.57 116.67 106.20 1xwe s ASP 1565Ca -0.06 -0.24 -0.02 0.00 0.43 0.00 0.00 52.55 52.66 1xwe s ASP 1565Cb 0.19 0.34 0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1xwe s ASP 1565CO 0.71 -0.62 0.05 -0.63 -0.17 0.00 0.00 175.17 174.52 1xwe s ILE 1566N -2.91 -0.07 -0.17 4.11 1.01 -1.26 -1.66 121.20 120.24 1xwe s ILE 1566Ca 0.12 0.40 0.12 0.00 0.00 0.00 0.00 60.65 61.29 1xwe s ILE 1566Cb 0.01 -0.18 -0.23 0.00 0.01 0.00 0.00 42.46 42.07 1xwe s ILE 1566CO -0.02 0.18 0.18 -1.22 0.00 0.00 0.00 174.94 174.07 1xwe n TYR 1567N 5.26 0.34 -3.95 3.97 4.01 -0.72 -4.81 117.16 121.26 1xwe n TYR 1567Ca -0.04 0.11 -0.31 0.00 -0.16 0.00 0.00 57.90 57.50 1xwe n TYR 1567Cb 0.50 -1.06 -0.15 0.00 -0.31 0.00 0.00 39.34 38.32 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1xwe s LYS 1568N -2.53 1.58 0.26 -0.72 2.47 -0.51 -4.93 119.74 115.36 1xwe s LYS 1568Ca -0.14 -1.22 -0.28 0.00 -1.56 0.00 0.00 55.97 52.77 1xwe s LYS 1568Cb 0.07 -2.68 -0.15 0.00 -1.46 0.00 0.00 37.83 33.61 1xwe s LYS 1568CO 0.78 -0.70 0.89 2.41 0.16 0.00 0.00 175.35 178.89 1xwe n THR 1569N 4.58 1.91 -3.27 3.43 -1.04 -1.26 -2.12 114.28 116.52 1xwe n THR 1569Ca -0.08 -0.48 -0.38 0.00 -2.04 0.00 0.00 64.05 61.07 1xwe n THR 1569Cb 0.43 -0.72 -0.06 0.00 -1.82 0.00 0.00 70.33 68.16 1xwe n THR 1569CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1xwe s GLY 1570N -0.64 2.29 0.59 3.41 0.00 -1.26 -4.23 107.32 107.49 1xwe s GLY 1570Ca 0.61 -0.24 0.29 0.00 0.00 0.00 0.00 44.72 45.38 1xwe s GLY 1570CO 0.58 0.92 2.23 0.83 0.00 0.00 0.00 173.10 177.67 1xwe h GLU 1571N 6.99 0.00 -1.57 2.90 5.08 -1.92 -1.89 114.58 124.17 1xwe h GLU 1571Ca -0.38 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.55 1xwe h GLU 1571Cb 1.17 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.25 1xwe h GLU 1571CO 0.75 0.00 0.50 0.00 -1.00 0.00 0.00 179.01 179.26 1xwe n ALA 1572N -2.34 5.66 -2.70 3.43 0.00 -1.26 -4.88 120.51 118.42 1xwe n ALA 1572Ca -0.02 -2.32 -0.02 0.00 0.00 0.00 0.00 53.44 51.08 1xwe n ALA 1572Cb 0.11 -1.63 -0.01 0.00 0.00 0.00 0.00 19.45 17.91 1xwe n ALA 1572CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xwe n VAL 1573N 0.27-12.06 -4.39 0.00 0.31 -0.73 -4.86 118.33 96.88 1xwe n VAL 1573Ca 0.40 2.11 -0.28 0.00 -0.01 0.00 0.00 64.34 66.56 1xwe n VAL 1573Cb 0.57 -6.71 -0.17 0.00 -0.91 0.00 0.00 33.84 26.63 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xwe s ALA 1574N -1.32 1.57 0.15 3.52 0.00 -1.11 -4.91 121.76 119.66 1xwe s ALA 1574Ca -0.09 -0.65 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1xwe s ALA 1574Cb 0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1xwe s ALA 1574CO 0.77 -0.10 -0.11 -1.21 0.00 0.00 0.00 175.76 175.11 1xwe s GLU 1575N 1.05 1.06 0.01 0.00 0.41 -1.26 -4.34 118.70 115.63 1xwe s GLU 1575Ca -0.06 -1.43 -0.32 0.00 -0.41 0.00 0.00 54.97 52.75 1xwe s GLU 1575Cb -0.15 -0.66 -0.10 0.00 -1.78 0.00 0.00 34.13 31.44 1xwe s GLU 1575CO -0.02 0.09 1.92 1.17 -0.49 0.00 0.00 175.26 177.93 1xwe n LYS 1576N -0.13 2.63 -3.02 1.61 4.81 -1.26 -2.95 118.16 119.86 1xwe n LYS 1576Ca -0.11 0.96 -0.03 0.00 -0.87 0.00 0.00 58.31 58.26 1xwe n LYS 1576Cb 0.60 -2.88 0.02 0.00 0.02 0.00 0.00 35.03 32.79 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xwe n ASP 1577N 6.90 -7.24 -4.85 3.14 2.03 0.21 -5.03 116.55 111.72 1xwe n ASP 1577Ca 0.20 -0.21 -0.30 0.00 0.52 0.00 0.00 54.79 55.00 1xwe n ASP 1577Cb 0.37 -5.06 -0.03 0.00 -0.72 0.00 0.00 41.12 35.67 1xwe n ASP 1577CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1xwe s SER 1578N -3.05 4.41 -0.41 1.67 0.01 -1.15 -4.85 113.70 110.33 1xwe s SER 1578Ca 0.10 -1.47 -0.08 0.00 1.31 0.00 0.00 55.95 55.81 1xwe s SER 1578Cb -0.01 0.58 0.08 0.00 0.21 0.00 0.00 66.02 66.87 1xwe s SER 1578CO 0.71 -1.04 0.23 -0.70 0.41 0.00 0.00 173.24 172.85 1xwe s GLU 1579N -4.12 2.55 0.17 12.44 2.12 -1.26 -2.52 118.70 128.08 1xwe s GLU 1579Ca 0.19 -1.46 0.07 0.00 0.36 0.00 0.00 54.97 54.13 1xwe s GLU 1579Cb -0.01 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 1xwe s GLU 1579CO 0.12 -0.93 0.03 0.96 -0.54 0.00 0.00 175.26 174.90 1xwe s ILE 1580N 1.39 3.90 -0.10 -3.70 -5.25 -1.12 -5.04 121.20 111.28 1xwe s ILE 1580Ca 0.03 -1.36 -0.01 0.00 -0.99 0.00 0.00 60.65 58.33 1xwe s ILE 1580Cb -0.23 -2.97 0.03 0.00 2.95 0.00 0.00 42.46 42.24 1xwe s ILE 1580CO 0.01 -0.12 -0.06 -0.89 -1.79 0.00 0.00 174.94 172.09 1xwe s THR 1581N -1.76 0.90 -0.31 8.37 2.01 -1.26 -2.32 115.64 121.27 1xwe s THR 1581Ca 0.28 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 1xwe s THR 1581Cb -0.09 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.52 1xwe s THR 1581CO 0.20 0.35 0.02 -0.36 -0.69 0.00 0.00 174.62 174.14 1xwe s PHE 1582N 1.75 3.27 0.32 4.92 0.40 -0.41 -1.08 117.98 127.15 1xwe s PHE 1582Ca 0.05 -1.82 0.07 0.00 -0.60 0.00 0.00 56.93 54.63 1xwe s PHE 1582Cb -0.12 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.21 1xwe s PHE 1582CO -0.08 -0.80 0.39 0.96 0.70 0.00 0.00 175.22 176.39 1xwe s ILE 1583N 1.27 4.11 0.06 0.64 -4.36 -0.78 -1.07 121.20 121.06 1xwe s ILE 1583Ca -0.04 -1.13 -0.05 0.00 -0.26 0.00 0.00 60.65 59.17 1xwe s ILE 1583Cb -0.20 -3.41 0.02 0.00 1.25 0.00 0.00 42.46 40.12 1xwe s ILE 1583CO -0.01 -0.20 0.23 2.29 0.24 0.00 0.00 174.94 177.50 1xwe n LYS 1584N -1.50 0.19 -2.65 0.37 2.85 -0.67 -2.35 118.16 114.40 1xwe n LYS 1584Ca -0.02 -0.40 -0.14 0.00 -1.05 0.00 0.00 58.31 56.69 1xwe n LYS 1584Cb 0.58 0.53 0.02 0.00 -0.65 0.00 0.00 35.03 35.51 1xwe n LYS 1584CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xwe n LYS 1585N -0.16 0.91 0.06 -1.58 5.02 -1.26 -2.28 118.16 118.88 1xwe n LYS 1585Ca -0.01 -2.01 0.12 0.00 -2.02 0.00 0.00 58.31 54.39 1xwe n LYS 1585Cb 0.14 0.09 0.04 0.00 -0.02 0.00 0.00 35.03 35.28 1xwe n LYS 1585CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1xwe n VAL 1586N -1.45 0.38 0.23 -0.18 3.14 -1.26 -3.95 118.33 115.24 1xwe n VAL 1586Ca 0.03 -0.39 0.10 0.00 -2.96 0.00 0.00 64.34 61.11 1xwe n VAL 1586Cb 0.37 -0.11 0.52 0.00 -1.06 0.00 0.00 33.84 33.56 1xwe n VAL 1586CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1xwe h THR 1587N 0.00 0.66 -1.78 1.55 1.35 -1.96 -3.42 112.91 109.31 1xwe h THR 1587Ca 0.00 -1.02 -0.53 0.00 -0.55 0.00 0.00 66.41 64.31 1xwe h THR 1587Cb 0.86 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1xwe h THR 1587CO 0.00 0.23 1.57 0.00 -0.25 0.00 0.00 175.52 177.06 1xwe n THR 1589N 7.88 1.53 1.15 0.00 -1.04 -1.16 -4.06 114.28 118.57 1xwe n THR 1589Ca 0.34 -0.81 0.04 0.00 -2.04 0.00 0.00 64.05 61.57 1xwe n THR 1589Cb 0.49 -0.85 0.11 0.00 -1.82 0.00 0.00 70.33 68.26 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xwe n ASN 1590N -2.95 1.42 -4.19 8.00 4.13 -0.74 -4.80 115.26 116.11 1xwe n ASN 1590Ca -0.24 -2.03 -0.28 0.00 1.68 0.00 0.00 54.58 53.71 1xwe n ASN 1590Cb 1.09 -0.20 -0.16 0.00 -1.54 0.00 0.00 39.78 38.97 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xwe s ALA 1591N -1.67 1.74 -0.30 5.41 0.00 -1.25 -2.96 121.76 122.73 1xwe s ALA 1591Ca 0.16 -0.84 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1xwe s ALA 1591Cb 0.09 -0.53 0.17 0.00 0.00 0.00 0.00 23.12 22.85 1xwe s ALA 1591CO 0.10 0.35 0.97 -2.00 0.00 0.00 0.00 175.76 175.19 1xwe s GLU 1592N -0.16 0.28 0.23 0.00 2.12 -1.26 -4.97 118.70 114.93 1xwe s GLU 1592Ca -0.00 0.58 0.08 0.00 0.36 0.00 0.00 54.97 55.98 1xwe s GLU 1592Cb -0.11 0.33 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 1xwe s GLU 1592CO 0.02 -0.21 0.06 -0.51 -0.54 0.00 0.00 175.26 174.07 1xwe s LEU 1593N 2.72 3.42 -0.03 2.70 1.43 -1.26 -5.14 118.68 122.52 1xwe s LEU 1593Ca 0.01 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1xwe s LEU 1593Cb -0.09 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1xwe s LEU 1593CO -0.15 0.02 0.16 0.54 0.23 0.00 0.00 176.35 177.15 1xwe s VAL 1594N -2.06 0.04 0.42 -1.59 0.11 -1.26 -5.15 120.40 110.92 1xwe s VAL 1594Ca 0.30 -0.33 -0.23 0.00 -2.93 0.00 0.00 61.98 58.80 1xwe s VAL 1594Cb -0.08 -0.34 -0.09 0.00 -1.53 0.00 0.00 36.38 34.35 1xwe s VAL 1594CO 0.21 -0.18 1.05 -0.75 -3.33 0.00 0.00 175.10 172.10 1xwe s LYS 1595N -0.61 4.06 0.00 1.54 2.20 -1.26 -3.41 119.74 122.26 1xwe s LYS 1595Ca -0.07 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1xwe s LYS 1595Cb -0.04 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 1xwe s LYS 1595CO 0.01 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 1xwe n GLY 1596N 0.22 1.35 3.90 5.54 0.00 -1.20 -5.02 105.19 109.98 1xwe n GLY 1596Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1xwe n GLY 1596CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwe s ARG 1597N -0.58 2.59 0.07 1.61 3.00 -1.22 -5.05 118.95 119.37 1xwe s ARG 1597Ca 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 55.73 54.29 1xwe s ARG 1597Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 34.95 32.47 1xwe s ARG 1597CO 0.00 -0.20 0.02 -0.65 0.00 0.00 0.00 175.30 174.47 1xwe s GLN 1598N -4.16 2.66 0.00 3.54 -0.21 -1.26 -3.30 119.66 116.93 1xwe s GLN 1598Ca 0.49 -0.77 -0.05 0.00 0.02 0.00 0.00 55.36 55.05 1xwe s GLN 1598Cb -0.04 -2.60 -0.00 0.00 1.00 0.00 0.00 33.01 31.36 1xwe s GLN 1598CO 0.29 0.56 0.10 0.71 -2.12 0.00 0.00 175.29 174.83 1xwe s TYR 1599N -1.29 0.06 -0.23 0.91 2.02 -0.70 -2.15 117.35 115.98 1xwe s TYR 1599Ca 0.25 -0.15 -0.03 0.00 -0.37 0.00 0.00 57.07 56.77 1xwe s TYR 1599Cb -0.12 -0.06 0.01 0.00 -0.40 0.00 0.00 41.96 41.38 1xwe s TYR 1599CO 0.18 -0.24 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.70 1xwe s LEU 1600N -1.22 3.00 -0.15 -1.29 2.96 -0.44 0.25 118.68 121.79 1xwe s LEU 1600Ca -0.13 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.19 1xwe s LEU 1600Cb -0.07 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 1xwe s LEU 1600CO 0.01 -0.07 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.20 1xwe s ILE 1601N 1.42 2.83 -0.18 6.68 1.01 -0.75 -2.08 121.20 130.14 1xwe s ILE 1601Ca 0.04 -0.72 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 1xwe s ILE 1601Cb -0.15 -2.20 0.07 0.00 0.01 0.00 0.00 42.46 40.19 1xwe s ILE 1601CO -0.04 0.51 0.11 -0.04 0.00 0.00 0.00 174.94 175.49 1xwe s MET 1602N 0.69 0.09 0.00 2.79 -1.94 -0.87 -1.81 119.30 118.24 1xwe s MET 1602Ca -0.07 -0.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.85 1xwe s MET 1602Cb -0.16 -1.69 0.00 0.00 2.01 0.00 0.00 34.83 35.00 1xwe s MET 1602CO 0.02 -0.69 0.00 0.41 -0.01 0.00 0.00 175.02 174.75 1xwe n GLY 1603N 5.28 0.73 3.55 -0.03 0.00 -0.65 -0.85 105.19 113.22 1xwe n GLY 1603Ca -0.07 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 1xwe n GLY 1603CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwe n LYS 1604N 0.00 -0.01 -0.01 1.61 3.00 -1.25 -0.65 118.16 120.86 1xwe n LYS 1604Ca 0.00 0.06 -0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1xwe n LYS 1604Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 32.93 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xwe n GLU 1605N -2.28 -1.38 -2.39 1.64 0.28 -1.26 -4.62 120.64 110.63 1xwe n GLU 1605Ca 0.10 -0.02 -0.25 0.00 -0.16 0.00 0.00 57.16 56.83 1xwe n GLU 1605Cb 0.51 -0.02 0.11 0.00 1.43 0.00 0.00 31.44 33.47 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe s ALA 1606N -2.65 3.33 -0.30 -1.84 0.00 -1.26 -4.79 121.76 114.25 1xwe s ALA 1606Ca 0.01 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.50 1xwe s ALA 1606Cb -0.00 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.85 1xwe s ALA 1606CO 0.01 -1.53 0.05 -0.51 0.00 0.00 0.00 175.76 173.78 1xwe s LEU 1607N -5.26 3.82 0.21 0.00 1.02 -0.82 -4.92 118.68 112.73 1xwe s LEU 1607Ca 0.65 -0.86 -0.30 0.00 0.02 0.00 0.00 54.13 53.64 1xwe s LEU 1607Cb -0.07 -1.83 -0.09 0.00 0.02 0.00 0.00 46.19 44.23 1xwe s LEU 1607CO 0.45 -0.21 1.26 -1.10 0.02 0.00 0.00 176.35 176.77 1xwe s GLN 1608N 1.43 4.43 0.00 1.70 -0.21 -1.26 -3.54 119.66 122.22 1xwe s GLN 1608Ca 0.01 2.00 0.00 0.00 0.02 0.00 0.00 55.36 57.39 1xwe s GLN 1608Cb -0.18 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.64 1xwe s GLN 1608CO 0.01 -0.16 0.00 0.44 -2.12 0.00 0.00 175.29 173.46 1xwe n ILE 1609N 2.29 0.00 -1.56 1.08 -5.35 -1.26 -5.01 119.36 109.55 1xwe n ILE 1609Ca 0.04 0.00 -0.55 0.00 -0.27 0.00 0.00 62.75 61.98 1xwe n ILE 1609Cb 0.43 0.36 -0.08 0.00 -1.74 0.00 0.00 39.64 38.62 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1xwe n LYS 1610N 0.00 1.05 0.09 6.28 4.81 -1.26 -4.51 118.16 124.62 1xwe n LYS 1610Ca 0.00 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1xwe n LYS 1610Cb 0.00 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 32.85 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1xwe n TYR 1611N 7.32 -1.12 -2.23 5.64 9.36 -1.26 -4.87 117.16 130.00 1xwe n TYR 1611Ca 0.35 0.20 -0.26 0.00 3.32 0.00 0.00 57.90 61.51 1xwe n TYR 1611Cb 0.16 0.27 0.01 0.00 -0.63 0.00 0.00 39.34 39.14 1xwe n TYR 1611CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1xwe n ASN 1612N -3.44 4.92 0.00 2.98 3.02 -1.26 -4.89 115.26 116.59 1xwe n ASN 1612Ca 0.00 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1xwe n ASN 1612Cb 0.00 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe n ALA 1613N -0.60 0.00 0.78 5.41 0.00 -1.26 -4.76 120.51 120.08 1xwe n ALA 1613Ca 0.42 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.97 1xwe n ALA 1613Cb 0.80 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe n SER 1614N -0.78 0.75 -2.19 0.00 2.88 -1.26 -4.98 113.62 108.03 1xwe n SER 1614Ca 0.00 -0.67 -0.07 0.00 -1.33 0.00 0.00 58.87 56.79 1xwe n SER 1614Cb 0.39 1.06 -0.02 0.00 -0.75 0.00 0.00 64.21 64.89 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1xwe n PHE 1615N -1.68 0.05 0.00 0.66 3.72 -1.26 -5.00 117.46 113.95 1xwe n PHE 1615Ca 0.03 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 1xwe n PHE 1615Cb 0.38 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 1xwe n PHE 1615CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1xwe n ARG 1616N -0.27 -0.50 -1.70 -1.08 0.63 -1.26 -4.20 116.66 108.28 1xwe n ARG 1616Ca -0.02 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.49 1xwe n ARG 1616Cb 0.18 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.06 1xwe n ARG 1616CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1xwe s TYR 1617N -2.00 1.31 -0.04 -0.14 1.51 -1.26 -4.03 117.35 112.70 1xwe s TYR 1617Ca 0.00 0.68 0.03 0.00 -1.01 0.00 0.00 57.07 56.78 1xwe s TYR 1617Cb 0.00 -3.94 -0.00 0.00 -0.11 0.00 0.00 41.96 37.91 1xwe s TYR 1617CO 0.00 -3.62 -0.13 0.96 -1.11 0.00 0.00 175.55 171.65 1xwe s ILE 1618N 8.48 1.13 -0.07 2.71 -4.36 -1.23 -4.84 121.20 123.02 1xwe s ILE 1618Ca 0.95 -0.55 -0.21 0.00 -0.26 0.00 0.00 60.65 60.58 1xwe s ILE 1618Cb -0.28 -0.98 -0.04 0.00 1.25 0.00 0.00 42.46 42.40 1xwe s ILE 1618CO 0.33 0.33 0.62 -0.31 0.24 0.00 0.00 174.94 176.15 1xwe s TYR 1619N 0.12 3.59 0.00 1.37 1.51 -0.24 -1.95 117.35 121.74 1xwe s TYR 1619Ca -0.04 1.14 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 1xwe s TYR 1619Cb -0.10 -2.69 0.00 0.00 -0.11 0.00 0.00 41.96 39.06 1xwe s TYR 1619CO 0.01 0.17 0.00 -0.35 -1.11 0.00 0.00 175.55 174.27 1xwe n PRO 1620N 3.50 0.24 -3.44 -1.71 -0.04 -1.26 -1.87 135.00 130.42 1xwe n PRO 1620Ca -0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.21 1xwe n PRO 1620Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 1xwe n PRO 1620CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xwe s LEU 1621N 0.00 0.00 0.00 1.53 1.43 -0.99 -4.55 118.68 116.10 1xwe s LEU 1621Ca 0.00 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1xwe s LEU 1621Cb 0.00 0.24 -0.00 0.00 0.03 0.00 0.00 46.19 46.46 1xwe s LEU 1621CO 0.00 -0.41 0.01 0.47 0.23 0.00 0.00 176.35 176.65 1xwe n ASP 1622N 5.29 1.98 0.00 2.29 9.92 -1.26 -4.37 116.55 130.40 1xwe n ASP 1622Ca -0.03 -1.47 0.15 0.00 -0.53 0.00 0.00 54.79 52.91 1xwe n ASP 1622Cb 0.45 0.11 0.76 0.00 -0.64 0.00 0.00 41.12 41.80 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1xwe n SER 1623N -1.28 0.00 0.00 -2.24 7.64 -1.26 -0.96 113.62 115.52 1xwe n SER 1623Ca -0.04 -0.19 -0.12 0.00 1.01 0.00 0.00 58.87 59.53 1xwe n SER 1623Cb 0.13 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 62.93 1xwe n SER 1623CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1xwe h LEU 1624N 0.00 0.13 -8.87 -3.43 -0.00 -1.95 -3.40 115.31 97.78 1xwe h LEU 1624Ca 0.00 -0.25 -0.57 0.00 -0.00 0.00 0.00 57.88 57.06 1xwe h LEU 1624Cb 0.26 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 1xwe h LEU 1624CO 0.00 1.22 1.39 -0.89 -0.00 0.00 0.00 178.44 180.16 1xwe s THR 1625N -2.60 3.26 -0.20 0.15 2.01 -1.21 -4.82 115.64 112.23 1xwe s THR 1625Ca -0.08 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.89 1xwe s THR 1625Cb 0.08 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1xwe s THR 1625CO 0.82 -0.26 2.04 0.86 -0.69 0.00 0.00 174.62 177.39 1xwe s TRP 1626N 7.93 1.40 -0.29 4.92 -0.11 -0.03 -4.57 118.94 128.19 1xwe s TRP 1626Ca 0.88 0.39 -0.02 0.00 1.22 0.00 0.00 56.10 58.57 1xwe s TRP 1626Cb -0.25 -4.02 0.04 0.00 -1.50 0.00 0.00 33.47 27.74 1xwe s TRP 1626CO 0.33 -4.00 -0.01 0.42 -4.62 0.00 0.00 176.95 169.07 1xwe s ILE 1627N 7.11 3.05 -0.19 5.86 -1.09 -1.24 -2.06 121.20 132.64 1xwe s ILE 1627Ca 0.92 -1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1xwe s ILE 1627Cb -0.32 -2.68 0.05 0.00 -1.58 0.00 0.00 42.46 37.93 1xwe s ILE 1627CO 0.35 -0.01 -0.04 -0.70 -1.23 0.00 0.00 174.94 173.31 1xwe s GLU 1628N 1.29 1.37 0.26 2.79 2.12 -0.88 -2.28 118.70 123.37 1xwe s GLU 1628Ca -0.03 -0.64 -0.31 0.00 0.36 0.00 0.00 54.97 54.35 1xwe s GLU 1628Cb -0.19 -2.20 -0.12 0.00 0.26 0.00 0.00 34.13 31.89 1xwe s GLU 1628CO -0.02 -0.51 1.64 0.98 -0.54 0.00 0.00 175.26 176.81 1xwe n TYR 1629N 4.84 2.81 -3.48 5.30 9.36 -1.26 -1.33 117.16 133.40 1xwe n TYR 1629Ca -0.11 0.18 -0.43 0.00 3.32 0.00 0.00 57.90 60.86 1xwe n TYR 1629Cb 0.47 -2.62 -0.10 0.00 -0.63 0.00 0.00 39.34 36.46 1xwe n TYR 1629CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 1xwe s TRP 1630N 0.41 3.25 -0.21 2.98 -0.11 -0.91 -4.87 118.94 119.47 1xwe s TRP 1630Ca 0.68 -0.85 -0.38 0.00 1.22 0.00 0.00 56.10 56.77 1xwe s TRP 1630Cb -0.50 -2.75 -0.14 0.00 -1.50 0.00 0.00 33.47 28.57 1xwe s TRP 1630CO 0.43 -0.68 1.79 -2.30 -4.62 0.00 0.00 176.95 171.56 1xwe n PRO 1631N 5.12 1.50 0.09 5.86 -0.02 -1.26 -4.10 135.00 142.19 1xwe n PRO 1631Ca -0.11 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 1xwe n PRO 1631Cb 0.45 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 1xwe n PRO 1631CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xwe h ARG 1632N 7.88 0.23 -5.98 -0.52 2.43 -1.96 -3.44 114.38 113.02 1xwe h ARG 1632Ca -0.47 -0.34 -0.57 0.00 -0.81 0.00 0.00 59.98 57.80 1xwe h ARG 1632Cb 1.30 0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.91 1xwe h ARG 1632CO 0.96 1.12 0.11 -0.51 -1.51 0.00 0.00 179.97 180.13 1xwe s ASP 1633N -7.03 6.94 0.00 -3.80 1.01 -1.26 -4.87 116.67 107.67 1xwe s ASP 1633Ca -0.03 1.14 0.00 0.00 0.71 0.00 0.00 52.55 54.37 1xwe s ASP 1633Cb 0.08 -2.41 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1xwe s ASP 1633CO 0.86 -0.15 0.00 0.35 0.21 0.00 0.00 175.17 176.44 1xwe n THR 1634N 3.96 0.00 0.85 -1.27 -2.24 -1.26 -4.68 114.28 109.63 1xwe n THR 1634Ca -0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1xwe n THR 1634Cb 0.51 -0.08 0.14 0.00 -2.10 0.00 0.00 70.33 68.80 1xwe n THR 1634CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xwe n THR 1635N -0.89 0.57 0.00 4.28 -2.24 -1.26 -4.32 114.28 110.42 1xwe n THR 1635Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1xwe n THR 1635Cb 0.05 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n SER 1637N -1.93 -1.03 -0.36 0.00 7.64 -1.26 -5.00 113.62 111.68 1xwe n SER 1637Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1xwe n SER 1637Cb 0.00 1.24 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 1xwe n SER 1637CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1xwe n SER 1638N -2.79 0.00 0.00 6.43 3.41 -1.26 -4.87 113.62 114.53 1xwe n SER 1638Ca 0.00 -1.38 0.10 0.00 -0.26 0.00 0.00 58.87 57.33 1xwe n SER 1638Cb 0.00 -0.08 0.59 0.00 -0.26 0.00 0.00 64.21 64.46 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n GLN 1640N -0.91 1.55 -0.18 0.00 10.64 -1.26 -4.11 117.38 123.11 1xwe n GLN 1640Ca 0.15 -0.58 -0.07 0.00 -1.83 0.00 0.00 57.00 54.67 1xwe n GLN 1640Cb 0.07 -1.37 0.02 0.00 -0.86 0.00 0.00 30.24 28.11 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xwe h ALA 1641N 2.87 0.67 0.00 2.61 0.00 -1.94 -1.65 119.26 121.83 1xwe h ALA 1641Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1xwe h ALA 1641Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xwe h ALA 1641CO 0.05 0.11 -0.59 0.35 0.00 0.00 0.00 179.25 179.17 1xwe h PHE 1642N 0.72 0.00 0.00 0.00 3.57 -1.91 -3.14 116.94 116.18 1xwe h PHE 1642Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1xwe h PHE 1642Cb -0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1xwe h PHE 1642CO -0.04 0.56 0.00 1.28 -2.23 0.00 0.00 178.31 177.88 1xwe n LEU 1643N -3.23 0.00 0.11 0.59 7.99 -0.95 -2.84 117.00 118.67 1xwe n LEU 1643Ca 0.01 0.29 0.03 0.00 -0.01 0.00 0.00 56.01 56.33 1xwe n LEU 1643Cb 0.76 -0.29 -0.00 0.00 -0.11 0.00 0.00 43.42 43.78 1xwe n LEU 1643CO 0.41 -0.04 0.24 0.00 -1.51 0.00 0.00 177.39 176.49 1xwe h ALA 1644N 3.21 0.67 0.00 -1.18 0.00 -1.26 -3.23 119.26 117.47 1xwe h ALA 1644Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xwe h ALA 1644Cb 0.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xwe h ALA 1644CO 0.00 0.65 -0.74 -0.91 0.00 0.00 0.00 179.25 178.25 1xwe h ASN 1645N 0.00 0.00 1.00 0.00 2.35 -1.69 -3.33 115.58 113.91 1xwe h ASN 1645Ca -0.05 -0.21 -0.20 0.00 -0.55 0.00 0.00 56.30 55.30 1xwe h ASN 1645Cb 1.40 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.74 1xwe h ASN 1645CO 0.05 0.10 -1.05 -0.07 -1.65 0.00 0.00 177.43 174.82 1xwe h LEU 1646N 0.00 0.00 -0.74 1.61 3.38 -1.61 -3.28 115.31 114.67 1xwe h LEU 1646Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1xwe h LEU 1646Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1xwe h LEU 1646CO 0.00 0.85 -0.28 -0.78 0.09 0.00 0.00 178.44 178.32 1xwe h ASP 1647N 0.00 0.66 -0.48 -0.43 1.82 -1.66 -2.01 116.42 114.32 1xwe h ASP 1647Ca -0.07 -0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.28 1xwe h ASP 1647Cb 1.71 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 41.51 1xwe h ASP 1647CO 0.10 0.91 0.13 -0.08 -1.61 0.00 0.00 179.24 178.69 1xwe h GLU 1648N 0.56 0.76 -0.03 0.28 4.57 -1.70 -2.72 114.58 116.30 1xwe h GLU 1648Ca 0.07 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 57.98 1xwe h GLU 1648Cb 0.77 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1xwe h GLU 1648CO 0.06 0.73 -0.41 0.35 -1.18 0.00 0.00 179.01 178.56 1xwe h PHE 1649N 0.65 0.07 -0.30 0.92 3.57 -1.60 -0.72 116.94 119.53 1xwe h PHE 1649Ca 0.15 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.72 1xwe h PHE 1649Cb 0.30 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1xwe h PHE 1649CO 0.02 0.46 0.27 0.00 -2.23 0.00 0.00 178.31 176.83 1xwe h ALA 1650N 1.54 2.08 -0.00 2.41 0.00 -1.03 -1.35 119.26 122.90 1xwe h ALA 1650Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xwe h ALA 1650Cb 0.75 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xwe h ALA 1650CO 0.06 -0.42 -0.07 -1.91 0.00 0.00 0.00 179.25 176.90 1xwe n GLU 1651N -4.03 2.23 0.08 0.00 2.13 -1.06 -4.11 120.64 115.88 1xwe n GLU 1651Ca 0.04 -0.43 0.12 0.00 0.66 0.00 0.00 57.16 57.55 1xwe n GLU 1651Cb 0.43 -0.91 0.15 0.00 0.27 0.00 0.00 31.44 31.38 1xwe n GLU 1651CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1xwe h ASP 1652N 0.47 0.00 0.00 4.31 3.58 -0.03 -2.98 116.42 121.77 1xwe h ASP 1652Ca 0.00 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.13 1xwe h ASP 1652Cb 0.14 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1xwe h ASP 1652CO 0.00 0.08 -1.68 0.00 -2.88 0.00 0.00 179.24 174.76 1xwe n ILE 1653N -2.28 0.64 -0.01 2.25 0.13 -0.86 -2.93 119.36 116.28 1xwe n ILE 1653Ca 0.03 -0.41 -0.16 0.00 -1.10 0.00 0.00 62.75 61.10 1xwe n ILE 1653Cb 0.47 -0.65 -0.13 0.00 -0.84 0.00 0.00 39.64 38.49 1xwe n ILE 1653CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 1xwe h PHE 1654N 0.00 0.31 0.01 9.51 3.04 -1.71 -2.91 116.94 125.18 1xwe h PHE 1654Ca -0.25 -0.20 -0.00 0.00 3.98 0.00 0.00 57.97 61.50 1xwe h PHE 1654Cb 1.53 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.02 1xwe h PHE 1654CO 0.00 1.08 -0.00 1.25 -2.02 0.00 0.00 178.31 178.62 1xwe h LEU 1655N -0.55 -0.01 0.00 0.59 6.46 -1.79 -3.42 115.31 116.59 1xwe h LEU 1655Ca -0.06 -0.71 0.00 0.00 -0.12 0.00 0.00 57.88 56.99 1xwe h LEU 1655Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1xwe h LEU 1655CO 0.07 0.84 0.00 0.59 -0.62 0.00 0.00 178.44 179.32 1xwe n ASN 1656N -4.67 0.00 -0.46 1.25 5.03 -1.25 -5.08 115.26 110.08 1xwe n ASN 1656Ca -0.07 0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1xwe n ASN 1656Cb 0.34 -0.11 -0.00 0.00 -1.02 0.00 0.00 39.78 38.99 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xwe n GLY 1657N 2.23 -3.15 0.00 7.41 0.00 -1.10 -4.97 105.19 105.61 1xwe n GLY 1657Ca 0.00 -1.18 0.04 0.00 0.00 0.00 0.00 46.02 44.88 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32