#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe n SER 1509N 0.00 -2.44 -1.23 1.61 2.88 -1.26 -5.12 113.62 108.07 1xwe n SER 1509Ca 0.00 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1xwe n SER 1509Cb 0.00 2.38 -0.00 0.00 -0.75 0.00 0.00 64.21 65.84 1xwe n SER 1509CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1xwe n HIS 1510N -3.34 -3.35 -2.92 0.66 -0.00 -1.26 -4.75 115.22 100.26 1xwe n HIS 1510Ca 0.00 1.82 0.00 0.00 -0.00 0.00 0.00 57.72 59.54 1xwe n HIS 1510Cb 0.00 -2.93 0.00 0.00 -0.00 0.00 0.00 29.99 27.06 1xwe n HIS 1510CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1xwe n MET 1511N -2.40 0.00 0.00 1.57 1.56 -1.26 -4.58 117.12 112.01 1xwe n MET 1511Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1xwe n MET 1511Cb 0.38 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.75 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1xwe n ALA 1512N -3.00 0.00 -1.65 -5.12 0.00 -1.26 -3.59 120.51 105.89 1xwe n ALA 1512Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1xwe n ALA 1512Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 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 3.68 1.24 -4.51 0.00 8.00 -1.26 -4.84 116.55 118.86 1xwe n ASP 1513Ca 0.00 -2.66 -0.45 0.00 0.71 0.00 0.00 54.79 52.40 1xwe n ASP 1513Cb 0.00 -0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xwe n GLY 1515N 1.56 -0.42 2.06 0.00 0.00 -1.26 -3.34 105.19 103.79 1xwe n GLY 1515Ca 0.12 0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1xwe n GLY 1515CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xwe n GLN 1516N -4.20 0.00 -0.70 1.61 7.27 0.11 -4.35 117.38 117.13 1xwe n GLN 1516Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.17 1xwe n GLN 1516Cb 0.47 -0.91 0.00 0.00 2.41 0.00 0.00 30.24 32.21 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1xwe n MET 1517N 3.98 1.20 -4.23 3.69 2.81 -1.26 -4.59 117.12 118.71 1xwe n MET 1517Ca 0.29 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 56.06 1xwe n MET 1517Cb -0.03 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 32.38 1xwe n MET 1517CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1xwe s GLN 1518N -1.28 1.12 0.37 0.03 -1.52 -1.26 -4.96 119.66 112.16 1xwe s GLN 1518Ca 0.00 -1.55 -0.28 0.00 -1.95 0.00 0.00 55.36 51.58 1xwe s GLN 1518Cb 0.00 -0.11 -0.11 0.00 -0.22 0.00 0.00 33.01 32.56 1xwe s GLN 1518CO 0.00 -0.20 1.44 0.39 -0.25 0.00 0.00 175.29 176.67 1xwe n GLU 1519N -0.24 2.54 0.27 2.91 -0.58 -1.26 -4.88 120.64 119.40 1xwe n GLU 1519Ca -0.05 0.89 0.14 0.00 -0.42 0.00 0.00 57.16 57.73 1xwe n GLU 1519Cb 0.64 -2.59 0.74 0.00 -0.57 0.00 0.00 31.44 29.66 1xwe n GLU 1519CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1xwe h GLU 1520N 2.88 0.00 -1.93 3.49 4.81 -2.00 -3.39 114.58 118.43 1xwe h GLU 1520Ca -0.50 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.47 1xwe h GLU 1520Cb 1.25 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.32 1xwe h GLU 1520CO 0.64 0.10 -0.59 -0.51 -0.73 0.00 0.00 179.01 177.92 1xwe s LEU 1521N -6.89 -0.50 -0.18 1.64 1.43 -1.26 -4.77 118.68 108.15 1xwe s LEU 1521Ca -0.02 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1xwe s LEU 1521Cb 0.12 0.79 0.02 0.00 0.03 0.00 0.00 46.19 47.16 1xwe s LEU 1521CO 0.56 -0.37 -0.19 1.51 0.23 0.00 0.00 176.35 178.10 1xwe s ASP 1522N 2.43 3.21 0.00 2.29 -4.77 -1.26 -4.97 116.67 113.60 1xwe s ASP 1522Ca 0.10 -0.71 0.16 0.00 -3.30 0.00 0.00 52.55 48.80 1xwe s ASP 1522Cb -0.13 -1.46 0.28 0.00 -1.09 0.00 0.00 42.92 40.52 1xwe s ASP 1522CO -0.31 -0.02 1.19 0.18 0.70 0.00 0.00 175.17 176.90 1xwe n LEU 1523N 4.62 2.84 0.00 2.11 4.77 -1.26 -4.35 117.00 125.73 1xwe n LEU 1523Ca -0.20 -1.45 -0.01 0.00 -0.03 0.00 0.00 56.01 54.32 1xwe n LEU 1523Cb 0.49 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 1xwe n LEU 1523CO 0.25 0.62 -0.49 0.35 -1.33 0.00 0.00 177.39 176.78 1xwe n THR 1524N 0.98 1.14 -2.75 -5.08 -2.24 -1.26 -4.88 114.28 100.18 1xwe n THR 1524Ca 0.13 -0.71 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1xwe n THR 1524Cb 0.46 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 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 -2.89 4.88 0.63 2.28 1.01 -1.26 -5.05 121.20 120.81 1xwe s ILE 1525Ca -0.05 1.97 -0.09 0.00 0.00 0.00 0.00 60.65 62.49 1xwe s ILE 1525Cb 0.09 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 1xwe s ILE 1525CO 0.82 0.15 0.99 -0.44 0.00 0.00 0.00 174.94 176.47 1xwe s SER 1526N 0.99 5.70 0.53 3.58 0.01 -1.26 -4.96 113.70 118.29 1xwe s SER 1526Ca 0.50 1.02 0.31 0.00 1.31 0.00 0.00 55.95 59.08 1xwe s SER 1526Cb -0.20 -1.97 1.36 0.00 0.21 0.00 0.00 66.02 65.41 1xwe s SER 1526CO 0.26 -1.09 1.99 0.00 0.41 0.00 0.00 173.24 174.80 1xwe h ALA 1527N -0.35 1.05 0.00 1.44 0.00 -1.97 -2.72 119.26 116.71 1xwe h ALA 1527Ca -0.45 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.14 1xwe h ALA 1527Cb 1.24 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1xwe h ALA 1527CO 0.62 0.10 -1.51 0.93 0.00 0.00 0.00 179.25 179.40 1xwe h GLU 1528N 0.00 0.00 -0.51 0.00 5.08 -1.94 -3.29 114.58 113.92 1xwe h GLU 1528Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1xwe h GLU 1528Cb 0.50 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1xwe h GLU 1528CO 0.01 0.52 0.24 1.15 -1.00 0.00 0.00 179.01 179.93 1xwe h THR 1529N 0.00 1.20 0.00 1.13 2.02 -1.86 -1.37 112.91 114.03 1xwe h THR 1529Ca -0.21 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.40 1xwe h THR 1529Cb 1.87 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1xwe h THR 1529CO 0.08 0.22 0.00 -2.11 0.37 0.00 0.00 175.52 174.08 1xwe n ARG 1530N -4.59 0.05 0.01 6.66 1.85 -1.18 -2.88 116.66 116.58 1xwe n ARG 1530Ca 0.02 0.08 -0.01 0.00 -1.00 0.00 0.00 57.85 56.94 1xwe n ARG 1530Cb 0.12 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.94 1xwe n ARG 1530CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1xwe n LYS 1531N -1.47 0.63 0.25 2.89 3.00 -0.69 -3.89 118.16 118.88 1xwe n LYS 1531Ca 0.07 0.19 0.16 0.00 -0.00 0.00 0.00 58.31 58.72 1xwe n LYS 1531Cb 0.27 -1.77 0.87 0.00 0.00 0.00 0.00 35.03 34.40 1xwe n LYS 1531CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1xwe h GLN 1532N 0.00 0.00 0.00 1.64 1.08 -1.15 0.72 115.11 117.41 1xwe h GLN 1532Ca -0.20 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.74 1xwe h GLN 1532Cb 1.65 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.03 1xwe h GLN 1532CO 0.04 0.00 -1.83 2.41 -0.95 0.00 0.00 178.83 178.50 1xwe n THR 1533N -2.64 1.35 -0.13 -0.54 -1.04 -1.25 -4.19 114.28 105.83 1xwe n THR 1533Ca -0.02 -0.77 -0.12 0.00 -2.04 0.00 0.00 64.05 61.10 1xwe n THR 1533Cb 0.09 -0.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.84 1xwe n THR 1533CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwe h ALA 1534N 1.17 0.56 0.00 2.41 0.00 -1.00 -2.66 119.26 119.73 1xwe h ALA 1534Ca -0.31 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1xwe h ALA 1534Cb 1.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1xwe h ALA 1534CO 0.05 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.86 1xwe s LYS 1536N -2.55 4.70 0.55 0.00 1.02 -1.00 -4.95 119.74 117.51 1xwe s LYS 1536Ca 0.15 1.40 0.23 0.00 0.02 0.00 0.00 55.97 57.77 1xwe s LYS 1536Cb 0.11 -3.00 1.48 0.00 -0.52 0.00 0.00 37.83 35.89 1xwe s LYS 1536CO 0.24 0.38 2.13 -1.35 -0.92 0.00 0.00 175.35 175.83 1xwe h PRO 1537N 3.59 0.00 -0.11 -1.68 0.11 -1.87 -1.36 132.00 130.68 1xwe h PRO 1537Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xwe h PRO 1537Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xwe h PRO 1537CO 0.66 0.00 0.07 1.49 -0.21 0.00 0.00 178.00 180.01 1xwe h GLU 1538N 0.00 0.12 -4.96 1.05 4.57 -1.92 -3.39 114.58 110.05 1xwe h GLU 1538Ca 0.06 -0.01 -0.64 0.00 -1.18 0.00 0.00 59.36 57.60 1xwe h GLU 1538Cb 0.28 -0.03 -0.16 0.00 -0.16 0.00 0.00 28.75 28.68 1xwe h GLU 1538CO -0.00 0.08 -0.46 0.42 -1.18 0.00 0.00 179.01 177.87 1xwe s ILE 1539N -5.17 5.29 -0.16 2.32 1.09 -0.52 -2.28 121.20 121.77 1xwe s ILE 1539Ca -0.06 0.25 -0.13 0.00 -1.10 0.00 0.00 60.65 59.61 1xwe s ILE 1539Cb 0.17 -3.56 -0.05 0.00 -1.06 0.00 0.00 42.46 37.96 1xwe s ILE 1539CO 0.69 0.24 -0.22 0.00 -0.10 0.00 0.00 174.94 175.54 1xwe n ALA 1540N 5.06 0.64 -2.35 9.38 0.00 0.81 -4.75 120.51 129.30 1xwe n ALA 1540Ca -0.13 -0.59 -0.21 0.00 0.00 0.00 0.00 53.44 52.52 1xwe n ALA 1540Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -2.49 2.82 -0.26 0.00 -0.85 -0.92 -4.67 117.35 110.98 1xwe s TYR 1541Ca -0.21 -0.39 -0.05 0.00 -0.52 0.00 0.00 57.07 55.90 1xwe s TYR 1541Cb 0.03 -2.01 0.14 0.00 0.38 0.00 0.00 41.96 40.51 1xwe s TYR 1541CO 0.32 0.00 0.52 0.00 -1.52 0.00 0.00 175.55 174.87 1xwe s ALA 1542N -2.37 -1.67 0.15 9.51 0.00 -0.80 -2.11 121.76 124.47 1xwe s ALA 1542Ca 0.45 1.67 -0.25 0.00 0.00 0.00 0.00 51.96 53.83 1xwe s ALA 1542Cb -0.05 -1.76 0.07 0.00 0.00 0.00 0.00 23.12 21.38 1xwe s ALA 1542CO 0.28 -1.08 0.99 1.52 0.00 0.00 0.00 175.76 177.46 1xwe s TYR 1543N 2.74 -0.10 -0.21 0.00 -0.85 -0.71 0.11 117.35 118.33 1xwe s TYR 1543Ca 0.07 -0.21 -0.07 0.00 -0.52 0.00 0.00 57.07 56.34 1xwe s TYR 1543Cb -0.14 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.82 1xwe s TYR 1543CO -0.17 -0.82 0.04 0.21 -1.52 0.00 0.00 175.55 173.29 1xwe s LYS 1544N -3.11 3.73 0.52 -3.49 2.20 -0.87 -1.43 119.74 117.30 1xwe s LYS 1544Ca 0.13 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1xwe s LYS 1544Cb -0.01 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 33.11 1xwe s LYS 1544CO 0.02 0.01 0.20 0.14 -0.36 0.00 0.00 175.35 175.37 1xwe s VAL 1545N 1.06 1.47 -0.16 4.02 -7.23 -0.88 -0.48 120.40 118.21 1xwe s VAL 1545Ca 0.03 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 1xwe s VAL 1545Cb -0.14 -2.21 0.08 0.00 0.56 0.00 0.00 36.38 34.66 1xwe s VAL 1545CO 0.03 0.00 0.24 -0.94 -0.31 0.00 0.00 175.10 174.12 1xwe s SER 1546N -4.07 0.74 0.42 4.85 1.04 0.56 -2.09 113.70 115.14 1xwe s SER 1546Ca 0.22 0.27 -0.25 0.00 0.48 0.00 0.00 55.95 56.66 1xwe s SER 1546Cb -0.00 0.57 -0.10 0.00 0.10 0.00 0.00 66.02 66.59 1xwe s SER 1546CO 0.13 -0.27 1.21 -0.38 0.98 0.00 0.00 173.24 174.90 1xwe n ILE 1547N 5.34 2.52 0.00 -1.02 2.08 -0.90 -0.36 119.36 127.02 1xwe n ILE 1547Ca -0.06 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.75 1xwe n ILE 1547Cb 0.50 -1.46 0.00 0.00 -0.75 0.00 0.00 39.64 37.92 1xwe n ILE 1547CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1xwe n THR 1548N -0.25 0.00 -3.80 1.39 -2.24 -0.75 -2.16 114.28 106.48 1xwe n THR 1548Ca 0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1xwe n THR 1548Cb 0.39 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xwe s SER 1549N -2.62 -0.15 -0.02 3.42 0.01 -0.33 -4.70 113.70 109.32 1xwe s SER 1549Ca 0.00 0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.43 1xwe s SER 1549Cb 0.00 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.58 1xwe s SER 1549CO 0.00 -0.32 -0.13 -0.63 0.41 0.00 0.00 173.24 172.57 1xwe s ILE 1550N -0.90 1.06 -0.16 1.44 1.01 -1.26 -1.19 121.20 121.20 1xwe s ILE 1550Ca -0.10 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1xwe s ILE 1550Cb -0.05 -0.89 0.05 0.00 0.01 0.00 0.00 42.46 41.57 1xwe s ILE 1550CO 0.02 0.30 0.41 -0.89 0.00 0.00 0.00 174.94 174.78 1xwe s THR 1551N -0.17 -0.01 -0.06 2.92 2.01 -0.96 -5.02 115.64 114.35 1xwe s THR 1551Ca 0.02 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.09 1xwe s THR 1551Cb -0.07 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1xwe s THR 1551CO 0.00 0.01 -0.16 0.54 -0.69 0.00 0.00 174.62 174.32 1xwe s VAL 1552N 0.58 2.87 -0.05 3.82 0.11 -1.26 -0.54 120.40 125.92 1xwe s VAL 1552Ca -0.03 -0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 58.22 1xwe s VAL 1552Cb -0.05 -2.12 0.03 0.00 -1.53 0.00 0.00 36.38 32.71 1xwe s VAL 1552CO -0.04 0.58 0.06 -0.70 -3.33 0.00 0.00 175.10 171.67 1xwe s GLU 1553N -0.47 -0.03 0.86 1.54 2.12 -1.13 -4.98 118.70 116.60 1xwe s GLU 1553Ca 0.06 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.73 1xwe s GLU 1553Cb -0.12 -0.59 0.00 0.00 0.26 0.00 0.00 34.13 33.69 1xwe s GLU 1553CO 0.02 -0.34 0.00 -1.71 -0.54 0.00 0.00 175.26 172.69 1xwe n ASN 1554N 5.29 0.00 0.00 -1.70 4.05 -1.26 -2.60 115.26 119.04 1xwe n ASN 1554Ca -0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.00 1xwe n ASN 1554Cb 0.50 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.51 1xwe n ASN 1554CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1xwe n VAL 1555N 0.00 0.00 -2.16 3.44 0.24 -1.26 -5.04 118.33 113.55 1xwe n VAL 1555Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1xwe n VAL 1555Cb 0.00 -0.86 -0.03 0.00 -1.47 0.00 0.00 33.84 31.49 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xwe s PHE 1556N -1.94 2.35 -0.33 6.34 0.08 -1.07 -3.28 117.98 120.13 1xwe s PHE 1556Ca 0.00 0.51 -0.14 0.00 0.12 0.00 0.00 56.93 57.42 1xwe s PHE 1556Cb 0.00 -3.76 -0.02 0.00 -0.57 0.00 0.00 43.02 38.67 1xwe s PHE 1556CO 0.00 -3.05 0.31 0.08 -0.10 0.00 0.00 175.22 172.47 1xwe s VAL 1557N 3.66 5.21 0.36 -0.44 1.01 -0.80 -2.84 120.40 126.57 1xwe s VAL 1557Ca 0.67 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.54 1xwe s VAL 1557Cb -0.30 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.24 1xwe s VAL 1557CO 0.25 -0.01 0.81 -0.54 0.00 0.00 0.00 175.10 175.61 1xwe s LYS 1558N 1.92 4.06 -0.28 2.72 3.01 0.29 -1.16 119.74 130.30 1xwe s LYS 1558Ca 0.10 0.80 -0.03 0.00 -1.01 0.00 0.00 55.97 55.83 1xwe s LYS 1558Cb -0.17 -2.35 0.09 0.00 -1.01 0.00 0.00 37.83 34.40 1xwe s LYS 1558CO 0.11 0.08 0.11 0.71 0.51 0.00 0.00 175.35 176.88 1xwe s TYR 1559N -2.08 0.69 -0.44 3.18 2.02 0.14 -2.27 117.35 118.59 1xwe s TYR 1559Ca 0.56 -1.05 -0.27 0.00 -0.37 0.00 0.00 57.07 55.95 1xwe s TYR 1559Cb -0.10 -1.09 0.03 0.00 -0.40 0.00 0.00 41.96 40.39 1xwe s TYR 1559CO 0.17 -0.80 1.03 0.21 -1.57 0.00 0.00 175.55 174.58 1xwe s LYS 1560N 1.97 3.70 0.46 -0.62 2.47 -0.34 -0.94 119.74 126.43 1xwe s LYS 1560Ca 0.08 0.46 0.02 0.00 -1.56 0.00 0.00 55.97 54.97 1xwe s LYS 1560Cb -0.16 -3.89 0.02 0.00 -1.46 0.00 0.00 37.83 32.34 1xwe s LYS 1560CO -0.30 -1.23 0.19 0.00 0.16 0.00 0.00 175.35 174.16 1xwe n ALA 1561N 7.38 0.56 -3.72 3.13 0.00 -0.90 -1.18 120.51 125.77 1xwe n ALA 1561Ca 0.09 -1.93 -0.25 0.00 0.00 0.00 0.00 53.44 51.36 1xwe n ALA 1561Cb 0.49 0.92 -0.17 0.00 0.00 0.00 0.00 19.45 20.68 1xwe n ALA 1561CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xwe s THR 1562N -2.45 0.31 -0.39 0.00 2.01 0.51 -3.58 115.64 112.05 1xwe s THR 1562Ca 0.14 -0.14 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1xwe s THR 1562Cb -0.01 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 1xwe s THR 1562CO 0.09 -0.01 2.31 -0.22 -0.69 0.00 0.00 174.62 176.11 1xwe s LEU 1563N 1.98 3.42 0.22 4.42 2.96 -1.14 -0.32 118.68 130.21 1xwe s LEU 1563Ca 0.02 1.35 -0.08 0.00 -0.22 0.00 0.00 54.13 55.20 1xwe s LEU 1563Cb -0.15 -2.89 0.19 0.00 0.50 0.00 0.00 46.19 43.84 1xwe s LEU 1563CO -0.07 -2.52 1.86 -0.07 -1.32 0.00 0.00 176.35 174.24 1xwe h LEU 1564N 17.79 1.02 -7.00 -0.68 3.38 -1.05 0.91 115.31 129.69 1xwe h LEU 1564Ca -0.30 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 57.68 1xwe h LEU 1564Cb 1.25 -0.26 -0.23 0.00 0.09 0.00 0.00 40.66 41.52 1xwe h LEU 1564CO 1.09 0.80 0.55 -0.62 0.09 0.00 0.00 178.44 180.35 1xwe s ASP 1565N -6.10 -0.36 0.10 -0.43 2.15 -0.90 -4.48 116.67 106.66 1xwe s ASP 1565Ca -0.13 0.38 -0.16 0.00 0.43 0.00 0.00 52.55 53.07 1xwe s ASP 1565Cb 0.16 0.30 -0.07 0.00 -0.30 0.00 0.00 42.92 43.01 1xwe s ASP 1565CO 0.81 -0.35 0.53 -0.63 -0.17 0.00 0.00 175.17 175.37 1xwe s ILE 1566N -1.19 4.84 0.00 4.11 1.01 -1.26 -2.04 121.20 126.67 1xwe s ILE 1566Ca -0.01 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.59 1xwe s ILE 1566Cb -0.00 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1xwe s ILE 1566CO 0.01 0.40 0.00 -1.22 0.00 0.00 0.00 174.94 174.13 1xwe n TYR 1567N 1.27 0.00 -3.15 3.97 4.02 0.47 -4.94 117.16 118.80 1xwe n TYR 1567Ca -0.08 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.86 1xwe n TYR 1567Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.82 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1xwe s LYS 1568N -1.25 0.32 0.33 -0.72 2.20 0.29 -3.65 119.74 117.25 1xwe s LYS 1568Ca 0.00 0.55 -0.24 0.00 -0.36 0.00 0.00 55.97 55.91 1xwe s LYS 1568Cb 0.00 0.30 -0.15 0.00 -1.51 0.00 0.00 37.83 36.47 1xwe s LYS 1568CO 0.00 -0.37 0.42 2.41 -0.36 0.00 0.00 175.35 177.46 1xwe n THR 1569N 5.44 1.49 -3.73 3.43 -1.04 -1.26 -1.91 114.28 116.70 1xwe n THR 1569Ca -0.04 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.11 1xwe n THR 1569Cb 0.53 -0.21 -0.09 0.00 -1.82 0.00 0.00 70.33 68.74 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 -0.95 1.97 0.60 3.41 0.00 -1.26 -4.29 107.32 106.80 1xwe s GLY 1570Ca 0.62 -0.84 0.31 0.00 0.00 0.00 0.00 44.72 44.80 1xwe s GLY 1570CO 0.59 0.30 2.22 0.83 0.00 0.00 0.00 173.10 177.05 1xwe h GLU 1571N 7.28 0.00 -1.67 2.90 4.39 -1.92 -2.04 114.58 123.52 1xwe h GLU 1571Ca -0.38 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 58.89 1xwe h GLU 1571Cb 1.17 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.65 1xwe h GLU 1571CO 0.68 0.00 0.46 0.00 -1.16 0.00 0.00 179.01 178.99 1xwe n ALA 1572N -2.29 5.76 -2.73 3.43 0.00 -1.26 -4.87 120.51 118.55 1xwe n ALA 1572Ca -0.02 -2.39 -0.01 0.00 0.00 0.00 0.00 53.44 51.02 1xwe n ALA 1572Cb 0.15 -1.71 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 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 0.42-11.49 -4.80 0.00 0.31 -0.79 -5.01 118.33 96.97 1xwe n VAL 1573Ca 0.41 1.97 -0.28 0.00 -0.01 0.00 0.00 64.34 66.43 1xwe n VAL 1573Cb 0.57 -6.54 -0.17 0.00 -0.91 0.00 0.00 33.84 26.79 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 -1.35 1.66 0.06 3.52 0.00 -1.09 -4.92 121.76 119.63 1xwe s ALA 1574Ca -0.07 -0.66 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1xwe s ALA 1574Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1xwe s ALA 1574CO 0.73 0.15 -0.07 -1.21 0.00 0.00 0.00 175.76 175.36 1xwe s GLU 1575N 0.59 0.60 0.20 0.00 2.02 -1.26 -4.46 118.70 116.38 1xwe s GLU 1575Ca -0.15 -0.91 -0.32 0.00 0.02 0.00 0.00 54.97 53.61 1xwe s GLU 1575Cb -0.16 -0.23 -0.11 0.00 0.10 0.00 0.00 34.13 33.72 1xwe s GLU 1575CO 0.05 0.02 1.70 0.21 0.02 0.00 0.00 175.26 177.26 1xwe s LYS 1576N -2.24 4.14 -1.17 1.61 2.20 -1.26 -2.38 119.74 120.65 1xwe s LYS 1576Ca -0.04 2.56 -0.05 0.00 -0.36 0.00 0.00 55.97 58.08 1xwe s LYS 1576Cb -0.05 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1xwe s LYS 1576CO -0.01 -0.73 1.00 -3.47 -0.36 0.00 0.00 175.35 171.78 1xwe n ASP 1577N 4.09 -4.44 -3.73 1.43 2.03 0.31 -5.02 116.55 111.22 1xwe n ASP 1577Ca 0.16 -0.51 -0.17 0.00 0.52 0.00 0.00 54.79 54.79 1xwe n ASP 1577Cb 0.36 -4.61 0.09 0.00 -0.72 0.00 0.00 41.12 36.24 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xwe n SER 1578N -2.70 0.84 -4.06 1.67 7.64 -1.00 -4.80 113.62 111.21 1xwe n SER 1578Ca -0.10 -1.74 -0.31 0.00 1.01 0.00 0.00 58.87 57.73 1xwe n SER 1578Cb 0.59 -0.48 -0.16 0.00 -1.01 0.00 0.00 64.21 63.15 1xwe n SER 1578CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1xwe s GLU 1579N -4.38 2.60 0.16 1.43 2.02 -1.26 -2.87 118.70 116.39 1xwe s GLU 1579Ca 0.47 -0.70 0.05 0.00 0.02 0.00 0.00 54.97 54.81 1xwe s GLU 1579Cb -0.02 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 1xwe s GLU 1579CO 0.32 -0.24 -0.10 0.96 0.02 0.00 0.00 175.26 176.22 1xwe s ILE 1580N 1.39 1.23 -0.06 -1.63 -0.00 -1.23 -5.04 121.20 115.85 1xwe s ILE 1580Ca 0.05 -2.08 0.05 0.00 -0.00 0.00 0.00 60.65 58.66 1xwe s ILE 1580Cb -0.13 -1.90 -0.00 0.00 -0.00 0.00 0.00 42.46 40.43 1xwe s ILE 1580CO -0.12 -0.70 -0.21 -0.89 -0.00 0.00 0.00 174.94 173.02 1xwe s THR 1581N -3.29 1.74 -0.24 8.37 2.01 -1.26 -2.11 115.64 120.86 1xwe s THR 1581Ca 0.18 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1xwe s THR 1581Cb 0.02 -1.49 0.03 0.00 0.01 0.00 0.00 72.50 71.07 1xwe s THR 1581CO 0.02 0.49 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.98 1xwe s PHE 1582N 0.11 3.07 0.13 4.92 0.40 -0.12 -1.02 117.98 125.46 1xwe s PHE 1582Ca -0.08 -1.79 0.00 0.00 -0.60 0.00 0.00 56.93 54.46 1xwe s PHE 1582Cb -0.14 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.35 1xwe s PHE 1582CO 0.04 -0.79 0.29 0.96 0.70 0.00 0.00 175.22 176.42 1xwe s ILE 1583N 1.26 5.31 0.08 0.64 -4.36 -0.76 0.29 121.20 123.64 1xwe s ILE 1583Ca -0.01 -0.43 0.01 0.00 -0.26 0.00 0.00 60.65 59.96 1xwe s ILE 1583Cb -0.17 -3.69 -0.00 0.00 1.25 0.00 0.00 42.46 39.85 1xwe s ILE 1583CO -0.06 -0.01 0.08 2.29 0.24 0.00 0.00 174.94 177.48 1xwe n LYS 1584N -0.19 0.12 -4.98 0.37 2.85 -0.31 -3.19 118.16 112.84 1xwe n LYS 1584Ca -0.05 -0.73 -0.28 0.00 -1.05 0.00 0.00 58.31 56.20 1xwe n LYS 1584Cb 0.53 0.63 -0.16 0.00 -0.65 0.00 0.00 35.03 35.37 1xwe n LYS 1584CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xwe s LYS 1585N -2.27 2.06 0.12 -1.58 1.02 -1.26 -1.91 119.74 115.91 1xwe s LYS 1585Ca 0.08 -0.70 0.14 0.00 0.02 0.00 0.00 55.97 55.51 1xwe s LYS 1585Cb 0.00 -1.76 0.65 0.00 -0.52 0.00 0.00 37.83 36.20 1xwe s LYS 1585CO 0.06 0.28 1.44 1.33 -0.92 0.00 0.00 175.35 177.54 1xwe n VAL 1586N 3.11 1.21 1.42 3.17 0.24 -1.20 -1.35 118.33 124.93 1xwe n VAL 1586Ca -0.18 0.39 0.12 0.00 -2.04 0.00 0.00 64.34 62.62 1xwe n VAL 1586Cb 0.53 -1.29 0.46 0.00 -1.47 0.00 0.00 33.84 32.07 1xwe n VAL 1586CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xwe n THR 1587N -1.81 0.12 -3.10 3.34 -2.24 -1.26 -4.84 114.28 104.49 1xwe n THR 1587Ca 0.01 -0.27 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 1xwe n THR 1587Cb 0.12 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n THR 1589N 4.58 3.65 0.00 0.00 -1.04 -1.26 -4.57 114.28 115.64 1xwe n THR 1589Ca -0.01 -5.57 0.00 0.00 -2.04 0.00 0.00 64.05 56.43 1xwe n THR 1589Cb 0.50 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1xwe n THR 1589CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1xwe n ASN 1590N 0.51 0.00 -4.72 8.00 5.15 -1.26 -4.55 115.26 118.38 1xwe n ASN 1590Ca 0.32 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.89 1xwe n ASN 1590Cb 0.37 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.58 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe s ALA 1591N -0.81 3.30 -0.02 5.20 0.00 -1.21 -4.68 121.76 123.55 1xwe s ALA 1591Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1xwe s ALA 1591Cb 0.00 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1xwe s ALA 1591CO 0.00 -0.07 0.04 -1.21 0.00 0.00 0.00 175.76 174.52 1xwe s GLU 1592N 0.55 0.04 -0.07 0.00 0.41 -1.26 -5.03 118.70 113.34 1xwe s GLU 1592Ca 0.41 0.08 -0.01 0.00 -0.41 0.00 0.00 54.97 55.04 1xwe s GLU 1592Cb -0.19 -0.01 0.03 0.00 -1.78 0.00 0.00 34.13 32.17 1xwe s GLU 1592CO 0.22 -0.02 0.00 -0.51 -0.49 0.00 0.00 175.26 174.46 1xwe s LEU 1593N 0.15 0.66 -0.06 1.80 1.43 -1.26 -5.14 118.68 116.26 1xwe s LEU 1593Ca -0.01 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1xwe s LEU 1593Cb -0.02 -0.42 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1xwe s LEU 1593CO -0.00 -0.18 0.20 -0.69 0.23 0.00 0.00 176.35 175.90 1xwe s VAL 1594N 1.85 5.42 0.34 -1.59 1.01 -1.26 -5.07 120.40 121.09 1xwe s VAL 1594Ca 0.03 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 1xwe s VAL 1594Cb -0.12 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1xwe s VAL 1594CO -0.05 0.49 1.23 -0.75 0.00 0.00 0.00 175.10 176.03 1xwe s LYS 1595N -1.40 4.32 -0.87 2.72 2.20 -1.26 -3.94 119.74 121.51 1xwe s LYS 1595Ca 0.21 2.03 -0.03 0.00 -0.36 0.00 0.00 55.97 57.82 1xwe s LYS 1595Cb -0.13 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1xwe s LYS 1595CO 0.11 -0.15 0.78 0.41 -0.36 0.00 0.00 175.35 176.13 1xwe n GLY 1596N 0.84 -1.21 3.30 5.54 0.00 -0.92 -4.98 105.19 107.76 1xwe n GLY 1596Ca 0.01 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 1xwe n GLY 1596CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xwe s ARG 1597N -3.71 0.78 -0.32 1.61 3.52 -1.25 -4.93 118.95 114.65 1xwe s ARG 1597Ca 0.18 -0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.39 1xwe s ARG 1597Cb -0.03 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.71 1xwe s ARG 1597CO 0.76 -0.23 0.77 -0.65 -0.81 0.00 0.00 175.30 175.14 1xwe s GLN 1598N -1.54 3.92 -0.09 5.12 -0.21 -1.26 -2.11 119.66 123.49 1xwe s GLN 1598Ca -0.11 0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.77 1xwe s GLN 1598Cb -0.03 -3.74 0.02 0.00 1.00 0.00 0.00 33.01 30.25 1xwe s GLN 1598CO 0.04 -0.70 -0.08 0.71 -2.12 0.00 0.00 175.29 173.14 1xwe s TYR 1599N 2.94 1.36 -0.18 0.91 2.02 -0.89 -2.27 117.35 121.24 1xwe s TYR 1599Ca 0.31 -0.60 -0.27 0.00 -0.37 0.00 0.00 57.07 56.14 1xwe s TYR 1599Cb -0.14 -1.11 -0.01 0.00 -0.40 0.00 0.00 41.96 40.30 1xwe s TYR 1599CO 0.13 -0.40 0.92 -1.17 -1.57 0.00 0.00 175.55 173.46 1xwe s LEU 1600N 1.34 4.15 -0.05 -1.29 2.96 -0.07 -2.08 118.68 123.64 1xwe s LEU 1600Ca -0.02 1.28 0.05 0.00 -0.22 0.00 0.00 54.13 55.22 1xwe s LEU 1600Cb -0.14 -3.37 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1xwe s LEU 1600CO -0.04 -0.50 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.66 1xwe s ILE 1601N 2.51 2.54 -0.22 6.68 1.01 -0.51 -0.52 121.20 132.69 1xwe s ILE 1601Ca 0.41 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1xwe s ILE 1601Cb -0.16 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.43 1xwe s ILE 1601CO 0.11 0.58 0.52 -0.32 0.00 0.00 0.00 174.94 175.83 1xwe s MET 1602N -0.49 0.50 0.00 2.79 1.75 -0.66 -1.73 119.30 121.46 1xwe s MET 1602Ca 0.06 1.00 0.00 0.00 -1.25 0.00 0.00 55.69 55.50 1xwe s MET 1602Cb -0.11 0.13 0.00 0.00 2.84 0.00 0.00 34.83 37.68 1xwe s MET 1602CO 0.01 -0.17 0.00 0.41 -0.65 0.00 0.00 175.02 174.62 1xwe n GLY 1603N 4.49 -0.50 3.25 2.11 0.00 -0.89 -0.59 105.19 113.06 1xwe n GLY 1603Ca -0.20 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 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 0.09 -1.30 1.61 3.00 -0.97 -0.14 118.16 120.46 1xwe n LYS 1604Ca 0.00 0.04 -0.29 0.00 -0.00 0.00 0.00 58.31 58.07 1xwe n LYS 1604Cb 0.00 -1.28 -0.08 0.00 0.00 0.00 0.00 35.03 33.68 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 1.01 3.11 0.00 1.64 0.28 -1.26 -4.57 120.64 120.85 1xwe n GLU 1605Ca 0.06 -1.94 0.00 0.00 -0.16 0.00 0.00 57.16 55.11 1xwe n GLU 1605Cb 0.51 -2.45 0.00 0.00 1.43 0.00 0.00 31.44 30.93 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe n ALA 1606N 2.76 0.00 -2.50 -1.84 0.00 -1.26 -4.52 120.51 113.16 1xwe n ALA 1606Ca 0.62 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.86 1xwe n ALA 1606Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 1xwe n ALA 1606CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xwe s LEU 1607N 0.00 3.95 -0.00 0.00 2.96 -1.13 -4.95 118.68 119.51 1xwe s LEU 1607Ca 0.00 -0.07 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1xwe s LEU 1607Cb 0.00 -2.85 -0.07 0.00 0.50 0.00 0.00 46.19 43.77 1xwe s LEU 1607CO 0.00 -0.44 0.17 1.67 -1.32 0.00 0.00 176.35 176.42 1xwe n GLN 1608N -1.70 2.33 -3.56 1.98 7.27 -1.26 -4.07 117.38 118.38 1xwe n GLN 1608Ca -0.01 -0.03 -0.29 0.00 0.07 0.00 0.00 57.00 56.74 1xwe n GLN 1608Cb 0.58 -0.97 -0.15 0.00 2.41 0.00 0.00 30.24 32.11 1xwe n GLN 1608CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1xwe s ILE 1609N -2.01 0.04 0.54 1.69 -0.00 -1.17 -3.79 121.20 116.50 1xwe s ILE 1609Ca -0.00 -0.84 0.28 0.00 -0.00 0.00 0.00 60.65 60.09 1xwe s ILE 1609Cb 0.04 -1.06 0.43 0.00 -0.00 0.00 0.00 42.46 41.87 1xwe s ILE 1609CO 0.22 -0.72 1.95 0.50 -0.00 0.00 0.00 174.94 176.89 1xwe h LYS 1610N 8.37 0.00 -5.35 0.37 3.64 -1.70 -3.44 116.57 118.46 1xwe h LYS 1610Ca -0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1xwe h LYS 1610Cb 1.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1xwe h LYS 1610CO 0.44 0.00 -1.07 0.98 -2.27 0.00 0.00 179.45 177.53 1xwe n TYR 1611N -4.31 -3.34 0.00 1.91 9.36 -1.26 -4.95 117.16 114.56 1xwe n TYR 1611Ca 0.13 1.59 0.00 0.00 3.32 0.00 0.00 57.90 62.95 1xwe n TYR 1611Cb 0.76 -3.43 0.00 0.00 -0.63 0.00 0.00 39.34 36.04 1xwe n TYR 1611CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1xwe n ASN 1612N 1.06 0.00 0.00 2.98 6.94 -1.26 -4.98 115.26 119.99 1xwe n ASN 1612Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 1xwe n ASN 1612Cb 0.20 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xwe n ALA 1613N -0.76 0.00 -3.64 -2.53 0.00 -1.26 -5.13 120.51 107.19 1xwe n ALA 1613Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1xwe n ALA 1613Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1xwe n ALA 1613CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xwe s SER 1614N -0.03 -0.60 0.26 0.00 1.04 -1.26 -5.14 113.70 107.97 1xwe s SER 1614Ca 0.00 0.99 -0.30 0.00 0.48 0.00 0.00 55.95 57.12 1xwe s SER 1614Cb 0.00 1.20 -0.14 0.00 0.10 0.00 0.00 66.02 67.18 1xwe s SER 1614CO 0.00 -0.16 1.20 2.22 0.98 0.00 0.00 173.24 177.48 1xwe n PHE 1615N 3.58 1.71 -3.77 5.02 -1.74 -1.26 -4.41 117.46 116.58 1xwe n PHE 1615Ca -0.18 0.60 -0.09 0.00 -0.56 0.00 0.00 57.45 57.21 1xwe n PHE 1615Cb 0.58 -2.34 -0.06 0.00 1.52 0.00 0.00 39.48 39.17 1xwe n PHE 1615CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1xwe s ARG 1616N -1.06 0.96 -0.99 3.97 1.81 -1.25 -4.75 118.95 117.64 1xwe s ARG 1616Ca 0.64 -0.87 -0.06 0.00 -1.72 0.00 0.00 55.73 53.71 1xwe s ARG 1616Cb -0.69 0.40 0.25 0.00 -0.45 0.00 0.00 34.95 34.45 1xwe s ARG 1616CO 0.56 -0.34 0.93 0.71 -0.68 0.00 0.00 175.30 176.48 1xwe s TYR 1617N -3.85 4.07 -0.17 -0.53 1.51 -1.26 -2.55 117.35 114.58 1xwe s TYR 1617Ca 0.05 -2.83 -0.06 0.00 -1.01 0.00 0.00 57.07 53.22 1xwe s TYR 1617Cb 0.03 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.30 1xwe s TYR 1617CO -0.11 -0.85 0.02 0.96 -1.11 0.00 0.00 175.55 174.47 1xwe s ILE 1618N -1.24 4.43 -0.26 2.71 -4.36 -1.26 -4.85 121.20 116.38 1xwe s ILE 1618Ca 0.29 -0.16 -0.29 0.00 -0.26 0.00 0.00 60.65 60.22 1xwe s ILE 1618Cb -0.09 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.63 1xwe s ILE 1618CO -0.10 0.48 1.46 -0.31 0.24 0.00 0.00 174.94 176.70 1xwe s TYR 1619N 0.35 2.40 0.22 1.37 1.51 -0.19 -2.83 117.35 120.18 1xwe s TYR 1619Ca 0.00 0.71 -0.04 0.00 -1.01 0.00 0.00 57.07 56.73 1xwe s TYR 1619Cb -0.13 -3.94 0.05 0.00 -0.11 0.00 0.00 41.96 37.83 1xwe s TYR 1619CO 0.01 -2.32 0.30 -0.35 -1.11 0.00 0.00 175.55 172.08 1xwe n PRO 1620N 7.46 -0.28 -3.47 -1.71 -0.04 -1.26 -1.84 135.00 133.87 1xwe n PRO 1620Ca 0.17 -0.46 -0.23 0.00 -0.04 0.00 0.00 63.50 62.93 1xwe n PRO 1620Cb 0.46 -0.30 -0.12 0.00 -0.04 0.00 0.00 33.50 33.49 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 0.14 0.00 1.53 1.43 -1.19 -4.68 118.68 115.91 1xwe s LEU 1621Ca 0.17 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 1xwe s LEU 1621Cb -0.00 0.10 -0.00 0.00 0.03 0.00 0.00 46.19 46.31 1xwe s LEU 1621CO 0.12 -0.41 0.01 0.47 0.23 0.00 0.00 176.35 176.76 1xwe n ASP 1622N 5.26 1.87 -0.02 2.29 9.92 -1.26 -4.44 116.55 130.16 1xwe n ASP 1622Ca -0.04 -1.37 0.15 0.00 -0.53 0.00 0.00 54.79 53.00 1xwe n ASP 1622Cb 0.44 0.09 0.85 0.00 -0.64 0.00 0.00 41.12 41.87 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xwe n SER 1623N -1.32 0.07 -0.06 -2.24 3.41 -1.26 -3.29 113.62 108.93 1xwe n SER 1623Ca -0.03 -1.11 -0.14 0.00 -0.26 0.00 0.00 58.87 57.33 1xwe n SER 1623Cb 0.11 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.92 1xwe n SER 1623CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n LEU 1624N -0.90 1.59 -4.55 1.04 -0.00 -1.26 -4.68 117.00 108.24 1xwe n LEU 1624Ca 0.22 0.12 -0.30 0.00 -0.00 0.00 0.00 56.01 56.04 1xwe n LEU 1624Cb 0.11 -0.32 -0.05 0.00 -0.00 0.00 0.00 43.42 43.16 1xwe n LEU 1624CO 0.16 0.67 1.83 0.41 -0.00 0.00 0.00 177.39 180.46 1xwe n THR 1625N -3.12 -0.06 -1.59 1.47 -1.04 -1.21 -4.84 114.28 103.88 1xwe n THR 1625Ca -0.32 -0.70 -0.40 0.00 -2.04 0.00 0.00 64.05 60.59 1xwe n THR 1625Cb 1.06 -2.51 -0.03 0.00 -1.82 0.00 0.00 70.33 67.04 1xwe n THR 1625CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1xwe s TRP 1626N 12.72 1.13 -0.06 -1.42 -0.11 0.25 -4.89 118.94 126.56 1xwe s TRP 1626Ca 0.98 1.04 -0.04 0.00 1.22 0.00 0.00 56.10 59.31 1xwe s TRP 1626Cb -0.20 -3.76 -0.04 0.00 -1.50 0.00 0.00 33.47 27.96 1xwe s TRP 1626CO 0.23 -3.31 0.12 0.42 -4.62 0.00 0.00 176.95 169.78 1xwe s ILE 1627N 10.19 5.15 0.05 5.86 -1.09 -1.26 -1.66 121.20 138.44 1xwe s ILE 1627Ca 0.99 -0.08 -0.03 0.00 -2.23 0.00 0.00 60.65 59.30 1xwe s ILE 1627Cb -0.25 -3.30 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1xwe s ILE 1627CO 0.31 0.49 0.02 -1.61 -1.23 0.00 0.00 174.94 172.91 1xwe s GLU 1628N -1.38 0.63 -0.14 2.79 0.41 0.32 -4.17 118.70 117.15 1xwe s GLU 1628Ca 0.19 -1.10 -0.04 0.00 -0.41 0.00 0.00 54.97 53.62 1xwe s GLU 1628Cb -0.12 0.23 -0.03 0.00 -1.78 0.00 0.00 34.13 32.43 1xwe s GLU 1628CO 0.09 -0.14 -0.01 -0.47 -0.49 0.00 0.00 175.26 174.25 1xwe s TYR 1629N -3.64 3.10 -0.42 1.61 6.14 -1.26 -0.90 117.35 121.98 1xwe s TYR 1629Ca 0.04 -0.10 -0.08 0.00 0.64 0.00 0.00 57.07 57.57 1xwe s TYR 1629Cb 0.06 -1.94 0.09 0.00 0.42 0.00 0.00 41.96 40.58 1xwe s TYR 1629CO -0.09 0.12 0.26 -0.46 0.64 0.00 0.00 175.55 176.02 1xwe s TRP 1630N 0.07 3.39 -0.27 4.97 -0.11 -0.96 -4.86 118.94 121.16 1xwe s TRP 1630Ca 0.01 -1.73 -0.38 0.00 1.22 0.00 0.00 56.10 55.22 1xwe s TRP 1630Cb -0.13 -3.07 -0.14 0.00 -1.50 0.00 0.00 33.47 28.62 1xwe s TRP 1630CO 0.02 -0.89 1.87 -2.30 -4.62 0.00 0.00 176.95 171.03 1xwe n PRO 1631N 4.86 1.26 0.00 5.86 -0.02 -1.26 -4.59 135.00 141.10 1xwe n PRO 1631Ca -0.09 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 61.90 1xwe n PRO 1631Cb 0.42 -2.24 0.40 0.00 -0.02 0.00 0.00 33.50 32.07 1xwe n PRO 1631CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xwe n ARG 1632N 6.21 0.89 -4.28 -0.52 1.74 -1.26 -4.82 116.66 114.62 1xwe n ARG 1632Ca 0.30 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.18 1xwe n ARG 1632Cb 0.17 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.29 1xwe n ARG 1632CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xwe s ASP 1633N -1.53 1.67 0.27 0.55 1.01 -1.26 -5.10 116.67 112.27 1xwe s ASP 1633Ca 0.20 -1.76 0.00 0.00 0.71 0.00 0.00 52.55 51.71 1xwe s ASP 1633Cb 0.09 0.56 0.00 0.00 1.01 0.00 0.00 42.92 44.58 1xwe s ASP 1633CO 0.16 -1.06 0.00 0.35 0.21 0.00 0.00 175.17 174.82 1xwe n THR 1634N -0.62 0.00 1.50 -1.27 -2.24 -1.26 -4.18 114.28 106.21 1xwe n THR 1634Ca 0.07 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.88 1xwe n THR 1634Cb 0.62 -0.45 0.07 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.40 0.21 0.42 4.28 -2.24 -1.26 -2.28 114.28 110.00 1xwe n THR 1635Ca 0.00 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 1xwe n THR 1635Cb 0.00 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 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 -5.55 -3.80 0.00 0.00 2.88 -1.26 -4.99 113.62 100.91 1xwe n SER 1637Ca -0.14 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1xwe n SER 1637Cb 0.43 3.57 0.00 0.00 -0.75 0.00 0.00 64.21 67.46 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xwe n SER 1638N -3.36 0.00 0.26 -3.46 2.88 -1.26 -4.89 113.62 103.79 1xwe n SER 1638Ca 0.00 -1.00 0.10 0.00 -1.33 0.00 0.00 58.87 56.64 1xwe n SER 1638Cb 0.00 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.15 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe h GLN 1640N 0.00 0.02 -0.26 0.00 4.15 -1.62 -2.45 115.11 114.95 1xwe h GLN 1640Ca -0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 1xwe h GLN 1640Cb 0.18 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1xwe h GLN 1640CO 0.01 0.49 0.17 0.00 -1.93 0.00 0.00 178.83 177.57 1xwe h ALA 1641N 1.51 1.86 0.06 3.38 0.00 -1.57 -1.33 119.26 123.18 1xwe h ALA 1641Ca -0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1xwe h ALA 1641Cb 0.85 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1xwe h ALA 1641CO 0.06 0.11 -1.68 0.35 0.00 0.00 0.00 179.25 178.10 1xwe h PHE 1642N 0.31 0.24 0.00 0.00 3.57 -1.60 -3.26 116.94 116.20 1xwe h PHE 1642Ca 0.10 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1xwe h PHE 1642Cb 0.02 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1xwe h PHE 1642CO -0.00 1.29 0.00 -0.11 -2.23 0.00 0.00 178.31 177.26 1xwe n LEU 1643N -3.28 0.29 -0.04 0.59 7.94 -0.91 -1.01 117.00 120.57 1xwe n LEU 1643Ca -0.19 0.57 -0.11 0.00 -1.11 0.00 0.00 56.01 55.17 1xwe n LEU 1643Cb 1.04 -0.53 -0.14 0.00 0.53 0.00 0.00 43.42 44.32 1xwe n LEU 1643CO 0.46 -0.38 -0.78 0.00 -1.11 0.00 0.00 177.39 175.59 1xwe n ALA 1644N -1.62 1.41 0.14 1.96 0.00 -0.55 -3.00 120.51 118.85 1xwe n ALA 1644Ca 0.03 -0.91 0.11 0.00 0.00 0.00 0.00 53.44 52.67 1xwe n ALA 1644Cb 0.20 -0.61 0.05 0.00 0.00 0.00 0.00 19.45 19.08 1xwe n ALA 1644CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xwe h ASN 1645N 0.01 0.00 0.70 0.00 4.21 -1.52 -3.32 115.58 115.66 1xwe h ASN 1645Ca -0.39 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.00 1xwe h ASN 1645Cb 2.07 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 39.25 1xwe h ASN 1645CO 0.06 0.01 -1.39 -0.11 -1.29 0.00 0.00 177.43 174.70 1xwe n LEU 1646N -2.80 0.76 -0.07 1.61 7.94 -0.18 -4.05 117.00 120.21 1xwe n LEU 1646Ca 0.01 0.32 0.05 0.00 -1.11 0.00 0.00 56.01 55.28 1xwe n LEU 1646Cb 0.55 0.05 0.40 0.00 0.53 0.00 0.00 43.42 44.95 1xwe n LEU 1646CO 0.38 0.06 1.19 -0.78 -1.11 0.00 0.00 177.39 177.13 1xwe h ASP 1647N 0.00 0.54 -0.51 1.96 3.58 -1.63 -1.03 116.42 119.33 1xwe h ASP 1647Ca -0.13 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.26 1xwe h ASP 1647Cb 1.42 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.32 1xwe h ASP 1647CO 0.03 0.38 0.14 -0.08 -2.88 0.00 0.00 179.24 176.82 1xwe h GLU 1648N 0.63 0.86 0.00 0.28 4.57 -1.73 -2.46 114.58 116.73 1xwe h GLU 1648Ca 0.21 -0.18 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1xwe h GLU 1648Cb 0.07 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1xwe h GLU 1648CO -0.05 0.77 -0.67 0.35 -1.18 0.00 0.00 179.01 178.23 1xwe h PHE 1649N 0.83 0.00 0.00 0.92 3.57 -1.46 -1.91 116.94 118.88 1xwe h PHE 1649Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1xwe h PHE 1649Cb 0.30 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 1xwe h PHE 1649CO 0.02 0.67 -0.03 0.00 -2.23 0.00 0.00 178.31 176.74 1xwe h ALA 1650N 1.33 1.29 -0.00 2.41 0.00 -0.74 -2.12 119.26 121.43 1xwe h ALA 1650Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xwe h ALA 1650Cb 1.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xwe h ALA 1650CO 0.09 0.04 -0.07 -1.91 0.00 0.00 0.00 179.25 177.39 1xwe n GLU 1651N -3.54 1.79 0.01 0.00 2.13 -1.18 -4.24 120.64 115.60 1xwe n GLU 1651Ca -0.02 -0.51 0.12 0.00 0.66 0.00 0.00 57.16 57.41 1xwe n GLU 1651Cb 0.13 -0.95 0.21 0.00 0.27 0.00 0.00 31.44 31.10 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xwe n ASP 1652N -0.22 0.55 -0.06 4.31 2.03 -0.73 -2.54 116.55 119.90 1xwe n ASP 1652Ca 0.02 -0.26 -0.06 0.00 0.52 0.00 0.00 54.79 55.01 1xwe n ASP 1652Cb 0.10 0.32 -0.09 0.00 -0.72 0.00 0.00 41.12 40.73 1xwe n ASP 1652CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xwe n ILE 1653N -1.57 0.82 -0.03 5.18 0.13 -1.05 -1.25 119.36 121.59 1xwe n ILE 1653Ca 0.05 -0.49 -0.20 0.00 -1.10 0.00 0.00 62.75 61.01 1xwe n ILE 1653Cb 0.35 -0.70 -0.13 0.00 -0.84 0.00 0.00 39.64 38.31 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 0.24 0.00 9.51 3.57 -1.71 -3.28 116.94 125.27 1xwe h PHE 1654Ca -0.32 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.00 1xwe h PHE 1654Cb 1.72 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.45 1xwe h PHE 1654CO 0.00 1.37 -0.15 1.25 -2.23 0.00 0.00 178.31 178.56 1xwe h LEU 1655N -0.65 0.00 0.00 0.59 7.12 -1.76 -3.43 115.31 117.18 1xwe h LEU 1655Ca -0.22 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.79 1xwe h LEU 1655Cb 1.45 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.58 1xwe h LEU 1655CO -0.01 0.41 0.00 0.59 -0.13 0.00 0.00 178.44 179.30 1xwe n ASN 1656N -3.85 0.00 -0.84 1.25 3.02 -1.20 -5.03 115.26 108.61 1xwe n ASN 1656Ca -0.02 0.78 0.10 0.00 -0.03 0.00 0.00 54.58 55.41 1xwe n ASN 1656Cb 0.08 -0.38 -0.05 0.00 -0.61 0.00 0.00 39.78 38.82 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwe n GLY 1657N -0.29 -2.94 0.00 7.41 0.00 -0.38 -4.96 105.19 104.04 1xwe n GLY 1657Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32