#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 0.00 -4.55 1.61 2.88 -1.26 -5.06 113.62 107.25 1xwe n SER 1509Ca 0.00 -0.29 -0.41 0.00 -1.33 0.00 0.00 58.87 56.84 1xwe n SER 1509Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1xwe n SER 1509CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1xwe s HIS 1510N 0.00 3.19 0.00 0.66 0.09 -1.26 -4.85 115.29 113.11 1xwe s HIS 1510Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 55.06 55.14 1xwe s HIS 1510Cb 0.00 -2.84 0.00 0.00 -0.00 0.00 0.00 32.58 29.74 1xwe s HIS 1510CO 0.00 -0.51 0.00 -0.12 -0.00 0.00 0.00 174.74 174.11 1xwe n MET 1511N 5.62 3.35 -0.64 1.40 0.00 -1.26 -5.00 117.12 120.59 1xwe n MET 1511Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.64 1xwe n MET 1511Cb 0.49 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 32.77 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe n ALA 1512N -1.79 0.00 -2.74 -5.12 0.00 -0.67 -4.74 120.51 105.45 1xwe n ALA 1512Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1xwe n ALA 1512Cb 0.41 -0.60 0.02 0.00 0.00 0.00 0.00 19.45 19.28 1xwe n ALA 1512CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1xwe s ASP 1513N -2.40 -0.44 0.33 0.00 -4.77 -1.18 -3.70 116.67 104.51 1xwe s ASP 1513Ca 0.00 -0.39 0.24 0.00 -3.30 0.00 0.00 52.55 49.10 1xwe s ASP 1513Cb 0.00 0.57 0.46 0.00 -1.09 0.00 0.00 42.92 42.85 1xwe s ASP 1513CO 0.00 -0.03 1.59 0.00 0.70 0.00 0.00 175.17 177.43 1xwe n GLY 1515N 1.19 0.00 1.05 0.00 0.00 -1.26 -4.60 105.19 101.56 1xwe n GLY 1515Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.45 -2.65 -0.91 1.61 6.02 -1.26 -4.88 117.38 112.85 1xwe n GLN 1516Ca 0.00 2.09 -0.20 0.00 -0.01 0.00 0.00 57.00 58.88 1xwe n GLN 1516Cb 0.39 -2.72 0.16 0.00 1.02 0.00 0.00 30.24 29.09 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1xwe n MET 1517N -2.69 -1.95 -3.68 -1.09 2.81 -1.22 -4.76 117.12 104.54 1xwe n MET 1517Ca -0.02 -1.27 -0.22 0.00 -1.81 0.00 0.00 57.70 54.38 1xwe n MET 1517Cb 0.38 -1.06 -0.04 0.00 -0.71 0.00 0.00 33.22 31.79 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 -4.80 2.46 0.22 0.03 -1.52 -1.26 -5.08 119.66 109.71 1xwe s GLN 1518Ca 0.50 -1.62 -0.31 0.00 -1.95 0.00 0.00 55.36 51.98 1xwe s GLN 1518Cb -0.04 -2.29 -0.11 0.00 -0.22 0.00 0.00 33.01 30.35 1xwe s GLN 1518CO 0.37 -0.21 1.59 -1.21 -0.25 0.00 0.00 175.29 175.58 1xwe s GLU 1519N -4.10 4.18 -0.33 2.91 8.01 -1.26 -4.93 118.70 123.18 1xwe s GLU 1519Ca 0.46 2.46 -0.18 0.00 0.01 0.00 0.00 54.97 57.72 1xwe s GLU 1519Cb -0.02 -3.09 -0.01 0.00 -4.31 0.00 0.00 34.13 26.70 1xwe s GLU 1519CO 0.27 -0.61 0.53 -1.21 0.01 0.00 0.00 175.26 174.24 1xwe s GLU 1520N 0.46 3.74 -0.21 1.61 2.02 -1.26 -4.69 118.70 120.37 1xwe s GLU 1520Ca 0.67 -0.02 -0.10 0.00 0.02 0.00 0.00 54.97 55.55 1xwe s GLU 1520Cb -0.46 -3.77 0.04 0.00 0.10 0.00 0.00 34.13 30.04 1xwe s GLU 1520CO 0.38 -0.59 0.20 1.28 0.02 0.00 0.00 175.26 176.55 1xwe n LEU 1521N 5.74 -6.53 -3.26 1.80 4.77 -1.26 -5.07 117.00 113.19 1xwe n LEU 1521Ca -0.04 2.13 0.03 0.00 -0.03 0.00 0.00 56.01 58.09 1xwe n LEU 1521Cb 0.49 -3.28 -0.02 0.00 -2.33 0.00 0.00 43.42 38.28 1xwe n LEU 1521CO 0.44 -3.89 0.19 -0.62 -1.33 0.00 0.00 177.39 172.19 1xwe s ASP 1522N -0.87 -1.31 -0.62 -1.43 -1.08 -1.26 -5.10 116.67 104.99 1xwe s ASP 1522Ca -0.23 1.02 -0.26 0.00 -0.52 0.00 0.00 52.55 52.55 1xwe s ASP 1522Cb 0.02 2.18 -0.02 0.00 -1.46 0.00 0.00 42.92 43.63 1xwe s ASP 1522CO 0.78 -0.25 1.85 -0.76 0.52 0.00 0.00 175.17 177.32 1xwe s LEU 1523N 2.87 3.28 0.00 -1.34 1.43 -1.26 -3.87 118.68 119.79 1xwe s LEU 1523Ca 0.15 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 1xwe s LEU 1523Cb -0.14 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1xwe s LEU 1523CO -0.20 -2.38 0.00 1.07 0.23 0.00 0.00 176.35 175.07 1xwe n THR 1524N 7.21 0.00 -2.96 5.49 5.66 -1.26 -5.10 114.28 123.33 1xwe n THR 1524Ca 0.21 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.77 1xwe n THR 1524Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1xwe s ILE 1525N -0.23 4.58 0.97 1.09 1.01 -1.25 -5.02 121.20 122.34 1xwe s ILE 1525Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.57 1xwe s ILE 1525Cb 0.00 -4.43 0.23 0.00 0.01 0.00 0.00 42.46 38.27 1xwe s ILE 1525CO 0.00 -0.95 1.13 -1.20 0.00 0.00 0.00 174.94 173.93 1xwe n SER 1526N 6.94 -0.66 0.21 3.58 7.64 -1.26 -4.89 113.62 125.18 1xwe n SER 1526Ca -0.01 -1.32 0.07 0.00 1.01 0.00 0.00 58.87 58.63 1xwe n SER 1526Cb 0.47 -0.92 0.44 0.00 -1.01 0.00 0.00 64.21 63.19 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe h ALA 1527N -2.12 1.12 0.00 -0.43 0.00 -1.97 -2.93 119.26 112.93 1xwe h ALA 1527Ca -0.39 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1xwe h ALA 1527Cb 1.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1xwe h ALA 1527CO 0.27 0.38 -1.56 0.39 0.00 0.00 0.00 179.25 178.72 1xwe n GLU 1528N -3.63 0.63 0.42 0.00 1.02 -1.26 -3.58 120.64 114.25 1xwe n GLU 1528Ca -0.01 0.04 -0.20 0.00 -0.02 0.00 0.00 57.16 56.98 1xwe n GLU 1528Cb 0.42 -1.70 -0.10 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 0.00 0.01 0.00 2.62 2.02 -1.86 -2.06 112.91 113.64 1xwe h THR 1529Ca -0.10 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1xwe h THR 1529Cb 1.29 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1xwe h THR 1529CO 0.02 0.00 -0.25 0.08 0.37 0.00 0.00 175.52 175.74 1xwe h ARG 1530N -1.20 0.00 0.00 6.66 0.11 -1.76 -2.76 114.38 115.43 1xwe h ARG 1530Ca -0.10 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 1xwe h ARG 1530Cb 0.96 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.04 1xwe h ARG 1530CO 0.09 0.25 -0.09 -0.22 0.10 0.00 0.00 179.97 180.10 1xwe h LYS 1531N 0.00 0.00 -0.22 0.08 1.63 -1.53 -1.89 116.57 114.64 1xwe h LYS 1531Ca -0.00 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1xwe h LYS 1531Cb 0.75 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1xwe h LYS 1531CO 0.03 0.09 0.27 1.96 -3.45 0.00 0.00 179.45 178.36 1xwe h GLN 1532N 0.00 0.00 0.19 1.90 1.08 -1.07 0.07 115.11 117.28 1xwe h GLN 1532Ca -0.00 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.89 1xwe h GLN 1532Cb 0.26 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1xwe h GLN 1532CO 0.01 0.00 -1.48 1.15 -0.95 0.00 0.00 178.83 177.56 1xwe h THR 1533N 0.00 1.14 0.00 -0.54 2.02 -1.55 -3.27 112.91 110.71 1xwe h THR 1533Ca 0.10 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.73 1xwe h THR 1533Cb 0.65 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1xwe h THR 1533CO -0.00 0.80 0.00 0.00 0.37 0.00 0.00 175.52 176.68 1xwe h ALA 1534N 0.09 1.00 0.00 6.16 0.00 -1.13 -2.31 119.26 123.07 1xwe h ALA 1534Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xwe h ALA 1534Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1xwe h ALA 1534CO 0.18 0.00 -0.72 0.00 0.00 0.00 0.00 179.25 178.71 1xwe s LYS 1536N -3.31 3.48 0.00 0.00 1.02 -0.87 -4.88 119.74 115.18 1xwe s LYS 1536Ca 0.02 2.15 0.18 0.00 0.02 0.00 0.00 55.97 58.34 1xwe s LYS 1536Cb 0.09 -2.43 1.02 0.00 -0.52 0.00 0.00 37.83 35.99 1xwe s LYS 1536CO 0.75 -0.89 1.48 -0.35 -0.92 0.00 0.00 175.35 175.43 1xwe n PRO 1537N -0.61 0.48 0.03 -1.68 -0.04 -1.26 -2.75 135.00 129.18 1xwe n PRO 1537Ca 0.08 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.39 1xwe n PRO 1537Cb 0.45 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.27 1xwe n PRO 1537CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1xwe h GLU 1538N 0.00 0.24 -6.24 0.54 4.11 -1.90 -3.45 114.58 107.88 1xwe h GLU 1538Ca 0.00 -0.41 -0.56 0.00 0.07 0.00 0.00 59.36 58.45 1xwe h GLU 1538Cb 0.04 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1xwe h GLU 1538CO 0.00 1.09 0.64 0.42 0.07 0.00 0.00 179.01 181.23 1xwe s ILE 1539N -2.59 4.64 -0.09 -1.06 -1.09 -1.11 -3.23 121.20 116.68 1xwe s ILE 1539Ca -0.14 1.93 -0.07 0.00 -2.23 0.00 0.00 60.65 60.14 1xwe s ILE 1539Cb 0.07 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.69 1xwe s ILE 1539CO 0.82 -0.03 -0.13 0.00 -1.23 0.00 0.00 174.94 174.38 1xwe n ALA 1540N 5.31 0.32 -2.64 9.38 0.00 0.41 -4.76 120.51 128.53 1xwe n ALA 1540Ca 0.10 -0.37 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 1xwe n ALA 1540Cb 0.48 0.01 -0.01 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 -1.80 3.22 -0.32 0.00 -0.85 0.00 -4.70 117.35 112.90 1xwe s TYR 1541Ca -0.10 -0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.33 1xwe s TYR 1541Cb 0.01 -1.85 0.17 0.00 0.38 0.00 0.00 41.96 40.68 1xwe s TYR 1541CO 0.16 0.14 0.48 0.00 -1.52 0.00 0.00 175.55 174.81 1xwe s ALA 1542N -2.11 -1.60 0.33 9.51 0.00 -0.86 -1.97 121.76 125.05 1xwe s ALA 1542Ca 0.41 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.73 1xwe s ALA 1542Cb -0.09 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 1xwe s ALA 1542CO 0.30 -1.88 0.32 1.52 0.00 0.00 0.00 175.76 176.03 1xwe s TYR 1543N 2.40 1.56 -0.12 0.00 -0.85 -0.54 -0.51 117.35 119.29 1xwe s TYR 1543Ca 0.11 -1.56 0.02 0.00 -0.52 0.00 0.00 57.07 55.12 1xwe s TYR 1543Cb -0.11 -0.55 0.01 0.00 0.38 0.00 0.00 41.96 41.70 1xwe s TYR 1543CO -0.23 -0.93 -0.16 0.21 -1.52 0.00 0.00 175.55 172.91 1xwe s LYS 1544N -3.37 2.38 0.23 -3.49 2.36 -0.95 -1.25 119.74 115.65 1xwe s LYS 1544Ca 0.38 -0.62 0.00 0.00 -2.55 0.00 0.00 55.97 53.19 1xwe s LYS 1544Cb 0.02 -2.01 0.00 0.00 -1.05 0.00 0.00 37.83 34.79 1xwe s LYS 1544CO 0.25 -0.07 0.01 1.33 1.55 0.00 0.00 175.35 178.43 1xwe n VAL 1545N 4.23 0.00 -3.71 4.02 0.24 -0.82 -1.10 118.33 121.19 1xwe n VAL 1545Ca -0.19 -1.08 -0.14 0.00 -2.04 0.00 0.00 64.34 60.89 1xwe n VAL 1545Cb 0.51 0.18 -0.14 0.00 -1.47 0.00 0.00 33.84 32.92 1xwe n VAL 1545CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xwe s SER 1546N -2.28 0.13 0.56 -1.34 0.15 -0.72 -1.84 113.70 108.36 1xwe s SER 1546Ca 0.01 0.42 -0.20 0.00 0.70 0.00 0.00 55.95 56.87 1xwe s SER 1546Cb -0.00 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.62 1xwe s SER 1546CO 0.01 -0.19 1.25 -0.63 1.20 0.00 0.00 173.24 174.87 1xwe s ILE 1547N 1.67 2.51 0.02 6.45 -1.09 -0.92 -2.14 121.20 127.71 1xwe s ILE 1547Ca -0.05 0.35 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 1xwe s ILE 1547Cb -0.11 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1xwe s ILE 1547CO -0.07 -0.04 0.00 0.35 -1.23 0.00 0.00 174.94 173.95 1xwe n THR 1548N -1.25 0.03 -4.40 2.92 -2.24 -0.70 -1.57 114.28 107.07 1xwe n THR 1548Ca 0.12 0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.71 1xwe n THR 1548Cb 0.48 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xwe s SER 1549N -5.02 2.40 -0.04 3.42 0.15 -0.41 -4.71 113.70 109.48 1xwe s SER 1549Ca 0.00 -1.22 0.02 0.00 0.70 0.00 0.00 55.95 55.45 1xwe s SER 1549Cb 0.00 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 1xwe s SER 1549CO 0.00 -0.43 -0.08 -0.63 1.20 0.00 0.00 173.24 173.30 1xwe s ILE 1550N -3.18 0.77 -0.13 6.45 1.01 -1.26 -1.08 121.20 123.78 1xwe s ILE 1550Ca 0.30 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1xwe s ILE 1550Cb 0.05 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1xwe s ILE 1550CO 0.11 0.27 -0.22 -0.89 0.00 0.00 0.00 174.94 174.21 1xwe s THR 1551N 0.64 2.12 -0.00 2.92 2.01 -0.33 -4.92 115.64 118.08 1xwe s THR 1551Ca -0.10 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 60.93 1xwe s THR 1551Cb -0.13 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1xwe s THR 1551CO 0.01 0.55 -0.01 0.54 -0.69 0.00 0.00 174.62 175.03 1xwe s VAL 1552N 0.65 0.06 0.00 3.82 0.11 -1.26 -0.71 120.40 123.07 1xwe s VAL 1552Ca -0.11 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1xwe s VAL 1552Cb -0.16 -0.07 0.00 0.00 -1.53 0.00 0.00 36.38 34.61 1xwe s VAL 1552CO 0.02 0.03 0.00 -0.62 -3.33 0.00 0.00 175.10 171.20 1xwe n GLU 1553N 3.19 0.00 0.05 1.54 -0.58 -1.25 -5.05 120.64 118.54 1xwe n GLU 1553Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1xwe n GLU 1553Cb 0.59 -0.01 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 1xwe n GLU 1553CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1xwe n ASN 1554N -2.32 -0.62 0.01 1.62 0.23 -1.26 -5.03 115.26 107.90 1xwe n ASN 1554Ca 0.00 0.20 -0.02 0.00 -0.53 0.00 0.00 54.58 54.23 1xwe n ASN 1554Cb 0.00 0.78 -0.01 0.00 -2.08 0.00 0.00 39.78 38.47 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1xwe n VAL 1555N -2.77 0.75 -2.47 3.53 0.31 -1.26 -4.98 118.33 111.43 1xwe n VAL 1555Ca 0.00 0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 64.09 1xwe n VAL 1555Cb 0.00 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.30 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1xwe s PHE 1556N -2.07 2.73 -0.34 3.52 0.08 -1.26 -4.07 117.98 116.56 1xwe s PHE 1556Ca -0.03 0.86 -0.07 0.00 0.12 0.00 0.00 56.93 57.81 1xwe s PHE 1556Cb 0.01 -4.04 0.04 0.00 -0.57 0.00 0.00 43.02 38.45 1xwe s PHE 1556CO 0.04 -1.54 0.11 0.08 -0.10 0.00 0.00 175.22 173.82 1xwe s VAL 1557N 4.47 3.87 0.40 -0.44 1.01 -0.61 -3.86 120.40 125.24 1xwe s VAL 1557Ca 0.54 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.49 1xwe s VAL 1557Cb -0.14 -3.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.07 1xwe s VAL 1557CO 0.25 -0.17 0.57 -0.54 0.00 0.00 0.00 175.10 175.21 1xwe s LYS 1558N 1.42 3.00 -0.04 2.72 3.01 0.11 -1.70 119.74 128.26 1xwe s LYS 1558Ca -0.01 -0.89 -0.02 0.00 -1.01 0.00 0.00 55.97 54.04 1xwe s LYS 1558Cb -0.19 -2.71 0.03 0.00 -1.01 0.00 0.00 37.83 33.95 1xwe s LYS 1558CO 0.03 -0.15 0.07 0.71 0.51 0.00 0.00 175.35 176.52 1xwe s TYR 1559N -2.36 0.02 0.06 3.18 2.02 -0.68 -1.19 117.35 118.40 1xwe s TYR 1559Ca 0.49 0.29 -0.25 0.00 -0.37 0.00 0.00 57.07 57.22 1xwe s TYR 1559Cb -0.10 -0.40 -0.06 0.00 -0.40 0.00 0.00 41.96 41.01 1xwe s TYR 1559CO 0.34 -0.18 0.76 0.21 -1.57 0.00 0.00 175.55 175.11 1xwe s LYS 1560N 1.95 4.50 0.20 -0.62 2.47 -0.24 -0.83 119.74 127.17 1xwe s LYS 1560Ca 0.02 1.07 -0.21 0.00 -1.56 0.00 0.00 55.97 55.28 1xwe s LYS 1560Cb -0.12 -3.35 0.05 0.00 -1.46 0.00 0.00 37.83 32.95 1xwe s LYS 1560CO -0.03 0.33 0.62 0.00 0.16 0.00 0.00 175.35 176.43 1xwe s ALA 1561N -0.22 -1.36 -0.10 3.13 0.00 -0.88 -1.28 121.76 121.06 1xwe s ALA 1561Ca 0.38 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.47 1xwe s ALA 1561Cb -0.21 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1xwe s ALA 1561CO 0.23 -0.86 -0.19 0.99 0.00 0.00 0.00 175.76 175.93 1xwe s THR 1562N -3.83 2.55 0.25 0.00 2.01 -0.91 -2.37 115.64 113.34 1xwe s THR 1562Ca 0.06 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 1xwe s THR 1562Cb -0.03 -2.01 -0.09 0.00 0.01 0.00 0.00 72.50 70.38 1xwe s THR 1562CO -0.05 0.55 1.28 -0.22 -0.69 0.00 0.00 174.62 175.49 1xwe s LEU 1563N 0.14 4.44 -0.22 4.42 2.96 -0.84 -1.76 118.68 127.82 1xwe s LEU 1563Ca -0.10 2.46 -0.18 0.00 -0.22 0.00 0.00 54.13 56.09 1xwe s LEU 1563Cb -0.16 -3.62 -0.15 0.00 0.50 0.00 0.00 46.19 42.76 1xwe s LEU 1563CO 0.06 -0.47 -0.02 0.18 -1.32 0.00 0.00 176.35 174.77 1xwe n LEU 1564N 1.91 1.89 -3.79 -0.68 4.32 -0.26 -2.43 117.00 117.96 1xwe n LEU 1564Ca 0.03 0.41 -0.12 0.00 -0.02 0.00 0.00 56.01 56.32 1xwe n LEU 1564Cb 0.43 -0.90 -0.08 0.00 -1.62 0.00 0.00 43.42 41.24 1xwe n LEU 1564CO 0.58 0.28 -0.02 -1.81 -1.22 0.00 0.00 177.39 175.19 1xwe s ASP 1565N -6.91 -0.09 -0.28 -1.43 1.01 -0.99 -3.59 116.67 104.39 1xwe s ASP 1565Ca -0.31 -0.18 -0.08 0.00 0.71 0.00 0.00 52.55 52.69 1xwe s ASP 1565Cb 0.08 0.32 -0.02 0.00 1.01 0.00 0.00 42.92 44.32 1xwe s ASP 1565CO 0.52 -0.55 0.10 -0.63 0.21 0.00 0.00 175.17 174.82 1xwe s ILE 1566N -2.23 4.34 -0.11 0.77 -1.09 -1.26 -2.23 121.20 119.38 1xwe s ILE 1566Ca -0.07 -0.34 0.22 0.00 -2.23 0.00 0.00 60.65 58.23 1xwe s ILE 1566Cb -0.02 -3.12 -0.27 0.00 -1.58 0.00 0.00 42.46 37.47 1xwe s ILE 1566CO -0.02 0.21 0.61 -1.22 -1.23 0.00 0.00 174.94 173.29 1xwe n TYR 1567N 4.93 0.19 -3.26 3.97 4.02 -0.49 -4.85 117.16 121.67 1xwe n TYR 1567Ca -0.15 0.06 -0.03 0.00 -0.01 0.00 0.00 57.90 57.76 1xwe n TYR 1567Cb 0.50 -0.58 -0.05 0.00 -0.02 0.00 0.00 39.34 39.20 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 -3.47 0.44 0.32 -0.72 2.36 0.33 -4.67 119.74 114.33 1xwe s LYS 1568Ca -0.06 0.74 -0.25 0.00 -2.55 0.00 0.00 55.97 53.84 1xwe s LYS 1568Cb 0.13 -0.03 -0.15 0.00 -1.05 0.00 0.00 37.83 36.73 1xwe s LYS 1568CO 0.88 -0.64 0.58 2.41 1.55 0.00 0.00 175.35 180.14 1xwe n THR 1569N 5.39 1.74 -4.09 3.43 -1.04 -1.26 -2.03 114.28 116.42 1xwe n THR 1569Ca -0.02 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.18 1xwe n THR 1569Cb 0.51 -0.40 -0.07 0.00 -1.82 0.00 0.00 70.33 68.54 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 -0.89 1.99 0.00 3.41 0.00 -1.26 -4.25 107.32 106.32 1xwe s GLY 1570Ca 0.62 -1.01 0.24 0.00 0.00 0.00 0.00 44.72 44.57 1xwe s GLY 1570CO 0.58 -0.96 1.80 1.18 0.00 0.00 0.00 173.10 175.70 1xwe n GLU 1571N 0.66 0.73 -3.19 2.90 -0.58 -1.26 -3.39 120.64 116.50 1xwe n GLU 1571Ca -0.10 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.33 1xwe n GLU 1571Cb 0.52 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xwe n ALA 1572N -1.01 4.57 -4.43 0.62 0.00 -1.26 -4.87 120.51 114.12 1xwe n ALA 1572Ca 0.18 -4.76 -0.40 0.00 0.00 0.00 0.00 53.44 48.45 1xwe n ALA 1572Cb 0.09 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 1xwe n ALA 1572CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1xwe n VAL 1573N 0.68 -0.14 -2.43 0.00 3.14 -1.25 -4.84 118.33 113.49 1xwe n VAL 1573Ca 0.31 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 61.20 1xwe n VAL 1573Cb 0.38 -0.55 -0.03 0.00 -1.06 0.00 0.00 33.84 32.57 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xwe s ALA 1574N -3.35 3.40 -0.06 1.55 0.00 -1.22 -5.00 121.76 117.08 1xwe s ALA 1574Ca 0.70 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 53.31 1xwe s ALA 1574Cb -0.41 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.29 1xwe s ALA 1574CO 1.00 -0.47 0.37 -2.00 0.00 0.00 0.00 175.76 174.66 1xwe s GLU 1575N 1.22 0.65 0.19 0.00 2.56 -1.26 -4.34 118.70 117.73 1xwe s GLU 1575Ca 0.58 0.07 -0.33 0.00 0.00 0.00 0.00 54.97 55.30 1xwe s GLU 1575Cb -0.29 0.30 -0.14 0.00 2.00 0.00 0.00 34.13 36.01 1xwe s GLU 1575CO 0.28 -0.16 1.52 0.36 -0.56 0.00 0.00 175.26 176.70 1xwe n LYS 1576N 1.70 2.14 -2.77 4.30 2.85 -1.26 -1.67 118.16 123.46 1xwe n LYS 1576Ca -0.19 0.77 -0.16 0.00 -1.05 0.00 0.00 58.31 57.68 1xwe n LYS 1576Cb 0.56 -2.50 0.02 0.00 -0.65 0.00 0.00 35.03 32.47 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xwe n ASP 1577N 2.93 -4.88 -3.71 -5.58 2.03 -1.02 -4.98 116.55 101.34 1xwe n ASP 1577Ca 0.15 -0.19 -0.15 0.00 0.52 0.00 0.00 54.79 55.11 1xwe n ASP 1577Cb 0.30 -3.75 0.08 0.00 -0.72 0.00 0.00 41.12 37.02 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 -1.32 0.92 -4.83 1.67 7.64 -0.67 -4.81 113.62 112.22 1xwe n SER 1578Ca -0.09 -1.77 -0.37 0.00 1.01 0.00 0.00 58.87 57.65 1xwe n SER 1578Cb 0.59 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xwe s GLU 1579N -4.20 3.78 0.03 1.43 2.12 -1.26 -1.98 118.70 118.62 1xwe s GLU 1579Ca 0.44 0.03 -0.05 0.00 0.36 0.00 0.00 54.97 55.76 1xwe s GLU 1579Cb -0.03 -3.26 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 1xwe s GLU 1579CO 0.29 0.61 0.08 -1.50 -0.54 0.00 0.00 175.26 174.21 1xwe s ILE 1580N -0.62 0.13 -0.21 -3.70 2.07 -1.00 -4.90 121.20 112.96 1xwe s ILE 1580Ca 0.17 -1.04 -0.06 0.00 -1.41 0.00 0.00 60.65 58.30 1xwe s ILE 1580Cb -0.13 -0.78 0.10 0.00 0.13 0.00 0.00 42.46 41.78 1xwe s ILE 1580CO 0.06 -0.57 0.43 -0.89 -1.91 0.00 0.00 174.94 172.06 1xwe s THR 1581N -2.34 -0.68 0.75 4.00 2.01 -1.26 -2.06 115.64 116.06 1xwe s THR 1581Ca -0.07 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 1xwe s THR 1581Cb -0.03 -0.71 0.05 0.00 0.01 0.00 0.00 72.50 71.82 1xwe s THR 1581CO -0.03 0.04 1.12 -0.36 -0.69 0.00 0.00 174.62 174.70 1xwe s PHE 1582N 2.63 3.12 -0.28 4.92 0.40 -0.01 -1.61 117.98 127.15 1xwe s PHE 1582Ca 0.00 0.86 -0.07 0.00 -0.60 0.00 0.00 56.93 57.12 1xwe s PHE 1582Cb -0.12 -3.26 0.14 0.00 0.51 0.00 0.00 43.02 40.28 1xwe s PHE 1582CO -0.14 -1.46 0.58 -1.50 0.70 0.00 0.00 175.22 173.41 1xwe s ILE 1583N -3.44 -0.92 0.18 0.64 2.07 0.55 -1.68 121.20 118.60 1xwe s ILE 1583Ca 0.60 0.02 0.11 0.00 -1.41 0.00 0.00 60.65 59.97 1xwe s ILE 1583Cb -0.11 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.51 1xwe s ILE 1583CO 0.50 0.00 -0.23 -0.75 -1.91 0.00 0.00 174.94 172.55 1xwe s LYS 1584N 2.82 1.46 -0.16 3.50 2.20 -0.69 -1.59 119.74 127.28 1xwe s LYS 1584Ca 0.02 -1.48 0.09 0.00 -0.36 0.00 0.00 55.97 54.24 1xwe s LYS 1584Cb -0.13 -1.76 0.53 0.00 -1.51 0.00 0.00 37.83 34.96 1xwe s LYS 1584CO -0.18 0.38 1.33 1.63 -0.36 0.00 0.00 175.35 178.16 1xwe n LYS 1585N 0.37 3.46 -1.77 4.03 5.02 -1.26 -1.57 118.16 126.44 1xwe n LYS 1585Ca -0.13 -2.06 -0.04 0.00 -2.02 0.00 0.00 58.31 54.06 1xwe n LYS 1585Cb 0.56 -1.99 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.35 -0.10 -0.58 -0.18 3.14 -1.26 -4.54 118.33 115.16 1xwe n VAL 1586Ca 0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 1xwe n VAL 1586Cb 0.89 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 1xwe n VAL 1586CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1xwe n THR 1587N -2.01 0.00 -4.30 1.55 -2.24 -1.26 -4.75 114.28 101.27 1xwe n THR 1587Ca -0.05 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 1xwe n THR 1587Cb 0.33 1.58 -0.14 0.00 -2.10 0.00 0.00 70.33 70.00 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 2.62 -7.25 -1.66 0.00 -1.04 -1.26 -4.57 114.28 101.12 1xwe n THR 1589Ca -0.15 1.31 -0.16 0.00 -2.04 0.00 0.00 64.05 63.01 1xwe n THR 1589Cb 0.57 -4.89 -0.08 0.00 -1.82 0.00 0.00 70.33 64.10 1xwe n THR 1589CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1xwe s ASN 1590N -0.96 3.91 -0.07 8.00 3.04 -1.24 -4.62 114.94 123.00 1xwe s ASN 1590Ca -0.06 -0.51 0.02 0.00 0.04 0.00 0.00 52.86 52.36 1xwe s ASN 1590Cb 0.00 -2.57 -0.02 0.00 -1.54 0.00 0.00 41.25 37.12 1xwe s ASN 1590CO 0.41 -4.05 -0.14 0.00 -3.04 0.00 0.00 177.10 170.29 1xwe s ALA 1591N 14.94 2.67 -0.34 1.71 0.00 -1.26 -3.41 121.76 136.06 1xwe s ALA 1591Ca 0.85 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.87 1xwe s ALA 1591Cb -0.09 -1.05 0.11 0.00 0.00 0.00 0.00 23.12 22.09 1xwe s ALA 1591CO 0.11 0.47 0.11 -2.00 0.00 0.00 0.00 175.76 174.45 1xwe s GLU 1592N -0.43 1.06 -0.18 0.00 2.12 -1.26 -5.10 118.70 114.90 1xwe s GLU 1592Ca 0.05 -1.50 -0.25 0.00 0.36 0.00 0.00 54.97 53.63 1xwe s GLU 1592Cb -0.12 -2.44 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 1xwe s GLU 1592CO 0.02 -1.00 0.84 -0.51 -0.54 0.00 0.00 175.26 174.07 1xwe s LEU 1593N 1.16 4.15 -0.20 2.70 1.43 -1.26 -5.04 118.68 121.63 1xwe s LEU 1593Ca 0.11 1.16 -0.06 0.00 -1.03 0.00 0.00 54.13 54.32 1xwe s LEU 1593Cb -0.19 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 1xwe s LEU 1593CO -0.16 -0.43 0.02 -0.69 0.23 0.00 0.00 176.35 175.32 1xwe s VAL 1594N 2.32 4.21 0.28 -1.59 1.01 -1.26 -5.04 120.40 120.32 1xwe s VAL 1594Ca 0.38 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 1xwe s VAL 1594Cb -0.16 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 1xwe s VAL 1594CO 0.11 0.43 1.51 -1.59 0.00 0.00 0.00 175.10 175.56 1xwe s LYS 1595N 0.82 4.20 0.00 2.72 -2.85 -1.26 -2.57 119.74 120.80 1xwe s LYS 1595Ca 0.01 2.44 0.00 0.00 -1.00 0.00 0.00 55.97 57.42 1xwe s LYS 1595Cb -0.14 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.57 1xwe s LYS 1595CO 0.02 -0.51 0.00 0.41 0.10 0.00 0.00 175.35 175.37 1xwe n GLY 1596N 2.03 2.86 4.01 0.59 0.00 -0.61 -4.93 105.19 109.13 1xwe n GLY 1596Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.86 2.82 0.01 1.61 0.52 -1.06 -4.94 118.95 117.05 1xwe s ARG 1597Ca 0.00 -1.21 0.07 0.00 -0.52 0.00 0.00 55.73 54.06 1xwe s ARG 1597Cb 0.00 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 1xwe s ARG 1597CO 0.00 -0.29 -0.19 -0.65 0.02 0.00 0.00 175.30 174.19 1xwe s GLN 1598N -4.37 2.16 0.03 3.54 -0.21 -1.25 -2.15 119.66 117.40 1xwe s GLN 1598Ca 0.55 -0.92 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 1xwe s GLN 1598Cb -0.10 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.69 1xwe s GLN 1598CO 0.33 0.56 -0.03 0.71 -2.12 0.00 0.00 175.29 174.74 1xwe s TYR 1599N -0.83 0.34 -0.08 0.91 2.02 -0.77 -1.21 117.35 117.73 1xwe s TYR 1599Ca 0.13 -0.68 -0.14 0.00 -0.37 0.00 0.00 57.07 56.01 1xwe s TYR 1599Cb -0.10 -0.25 -0.05 0.00 -0.40 0.00 0.00 41.96 41.16 1xwe s TYR 1599CO 0.03 -0.24 0.36 -1.17 -1.57 0.00 0.00 175.55 172.96 1xwe s LEU 1600N -1.87 4.36 -0.09 -1.29 2.96 -0.31 -1.94 118.68 120.50 1xwe s LEU 1600Ca -0.09 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1xwe s LEU 1600Cb -0.05 -2.49 0.02 0.00 0.50 0.00 0.00 46.19 44.17 1xwe s LEU 1600CO -0.03 0.20 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.47 1xwe s ILE 1601N -0.28 1.11 -0.08 6.68 -1.09 -0.38 -2.04 121.20 125.11 1xwe s ILE 1601Ca 0.21 -0.40 -0.03 0.00 -2.23 0.00 0.00 60.65 58.20 1xwe s ILE 1601Cb -0.15 -1.06 0.04 0.00 -1.58 0.00 0.00 42.46 39.71 1xwe s ILE 1601CO 0.09 0.37 0.11 -0.04 -1.23 0.00 0.00 174.94 174.23 1xwe s MET 1602N 1.19 -0.01 0.12 2.79 -1.94 -0.82 -1.46 119.30 119.16 1xwe s MET 1602Ca -0.05 0.36 -0.25 0.00 -1.71 0.00 0.00 55.69 54.05 1xwe s MET 1602Cb -0.14 -0.67 0.08 0.00 2.01 0.00 0.00 34.83 36.12 1xwe s MET 1602CO -0.03 -0.39 1.11 0.20 -0.01 0.00 0.00 175.02 175.90 1xwe s GLY 1603N 2.21 -0.03 1.39 -0.03 0.00 -0.83 -2.09 107.32 107.94 1xwe s GLY 1603Ca 0.04 -0.10 -0.21 0.00 0.00 0.00 0.00 44.72 44.45 1xwe s GLY 1603CO -0.05 2.64 0.87 0.58 0.00 0.00 0.00 173.10 177.14 1xwe n LYS 1604N -0.70 -4.22 -0.38 2.90 -0.00 -1.20 -0.44 118.16 114.13 1xwe n LYS 1604Ca -0.02 -1.24 -0.29 0.00 -0.00 0.00 0.00 58.31 56.75 1xwe n LYS 1604Cb 0.60 -1.96 0.28 0.00 -0.00 0.00 0.00 35.03 33.95 1xwe n LYS 1604CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1xwe s GLU 1605N -4.82 -2.11 0.17 -1.58 -1.05 -1.26 -4.48 118.70 103.57 1xwe s GLU 1605Ca 0.66 0.54 0.04 0.00 -0.15 0.00 0.00 54.97 56.07 1xwe s GLU 1605Cb -0.15 -1.44 -0.04 0.00 -0.44 0.00 0.00 34.13 32.06 1xwe s GLU 1605CO 0.58 -4.44 0.21 0.00 0.95 0.00 0.00 175.26 172.57 1xwe s ALA 1606N -2.29 3.75 -0.19 -0.84 0.00 -1.26 -5.02 121.76 115.90 1xwe s ALA 1606Ca 0.69 -1.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.19 1xwe s ALA 1606Cb -0.21 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1xwe s ALA 1606CO 0.63 0.47 1.86 -0.51 0.00 0.00 0.00 175.76 178.20 1xwe s LEU 1607N -3.30 3.81 -0.04 0.00 2.01 -1.26 -4.85 118.68 115.05 1xwe s LEU 1607Ca 0.33 1.82 0.00 0.00 0.01 0.00 0.00 54.13 56.29 1xwe s LEU 1607Cb -0.10 -3.53 0.06 0.00 0.01 0.00 0.00 46.19 42.64 1xwe s LEU 1607CO 0.26 -1.48 1.11 0.00 1.01 0.00 0.00 176.35 177.25 1xwe n GLN 1608N 8.04 1.12 -3.19 1.70 6.02 -1.26 -3.45 117.38 126.36 1xwe n GLN 1608Ca 0.22 -0.29 0.05 0.00 -0.01 0.00 0.00 57.00 56.97 1xwe n GLN 1608Cb 0.45 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.57 1xwe n GLN 1608CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1xwe s ILE 1609N -0.32 -0.24 -0.09 5.09 -1.16 -1.23 -4.71 121.20 118.54 1xwe s ILE 1609Ca 0.05 0.00 0.19 0.00 -0.51 0.00 0.00 60.65 60.38 1xwe s ILE 1609Cb 0.05 -1.00 -0.28 0.00 0.61 0.00 0.00 42.46 41.84 1xwe s ILE 1609CO 0.01 0.00 0.29 1.17 -2.81 0.00 0.00 174.94 173.60 1xwe n LYS 1610N 5.20 0.74 0.00 3.50 3.00 -1.24 -4.76 118.16 124.61 1xwe n LYS 1610Ca -0.08 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1xwe n LYS 1610Cb 0.54 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.09 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1xwe n TYR 1611N -2.39 0.00 0.00 5.64 9.36 -1.26 -4.95 117.16 123.55 1xwe n TYR 1611Ca -0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1xwe n TYR 1611Cb 0.76 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.47 1xwe n TYR 1611CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xwe n ASN 1612N 0.00 0.00 -0.12 2.98 5.15 -1.26 -4.87 115.26 117.14 1xwe n ASN 1612Ca 0.00 0.00 0.24 0.00 -0.60 0.00 0.00 54.58 54.22 1xwe n ASN 1612Cb 0.00 0.00 0.67 0.00 -0.53 0.00 0.00 39.78 39.92 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe h ALA 1613N 0.00 2.60 0.00 5.20 0.00 -2.05 -3.36 119.26 121.65 1xwe h ALA 1613Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xwe h ALA 1613Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xwe h ALA 1613CO 0.00 -0.82 0.00 -1.13 0.00 0.00 0.00 179.25 177.30 1xwe n SER 1614N -4.35 0.00 -1.37 0.00 3.41 -1.26 -5.16 113.62 104.89 1xwe n SER 1614Ca 0.15 -0.44 0.18 0.00 -0.26 0.00 0.00 58.87 58.50 1xwe n SER 1614Cb 0.77 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xwe n PHE 1615N 0.00 -3.54 -3.62 7.33 3.72 -1.26 -5.01 117.46 115.08 1xwe n PHE 1615Ca 0.00 1.84 -0.04 0.00 -0.05 0.00 0.00 57.45 59.21 1xwe n PHE 1615Cb 0.13 -3.22 -0.06 0.00 -0.94 0.00 0.00 39.48 35.39 1xwe n PHE 1615CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1xwe s ARG 1616N -3.02 0.52 -0.40 -1.08 3.52 -1.26 -4.71 118.95 112.52 1xwe s ARG 1616Ca 0.00 0.97 0.02 0.00 -0.13 0.00 0.00 55.73 56.59 1xwe s ARG 1616Cb 0.00 0.22 0.51 0.00 -1.56 0.00 0.00 34.95 34.12 1xwe s ARG 1616CO 0.00 -0.12 1.80 0.66 -0.81 0.00 0.00 175.30 176.83 1xwe n TYR 1617N 4.24 2.52 -1.69 5.12 4.02 -1.22 -3.57 117.16 126.58 1xwe n TYR 1617Ca -0.18 -1.79 -0.40 0.00 -0.01 0.00 0.00 57.90 55.53 1xwe n TYR 1617Cb 0.57 -0.90 0.03 0.00 -0.02 0.00 0.00 39.34 39.01 1xwe n TYR 1617CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1xwe n ILE 1618N -0.77 3.11 -3.56 -0.72 -5.35 -1.26 -4.55 119.36 106.27 1xwe n ILE 1618Ca 0.49 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 62.10 1xwe n ILE 1618Cb 1.31 -1.47 -0.08 0.00 -1.74 0.00 0.00 39.64 37.65 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xwe s TYR 1619N -1.29 3.35 0.00 4.28 1.51 -0.63 -4.10 117.35 120.48 1xwe s TYR 1619Ca 0.67 0.40 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 1xwe s TYR 1619Cb -0.47 -2.36 0.00 0.00 -0.11 0.00 0.00 41.96 39.02 1xwe s TYR 1619CO 0.53 0.07 0.00 -0.35 -1.11 0.00 0.00 175.55 174.69 1xwe n PRO 1620N 4.24 -1.44 -2.72 -1.71 -0.04 -1.26 -0.33 135.00 131.74 1xwe n PRO 1620Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1xwe n PRO 1620Cb 0.52 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.08 1xwe n PRO 1620CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xwe n LEU 1621N 0.00 -0.48 0.00 1.53 7.94 -0.62 -4.18 117.00 121.19 1xwe n LEU 1621Ca 0.00 -3.16 -0.06 0.00 -1.11 0.00 0.00 56.01 51.68 1xwe n LEU 1621Cb 0.00 0.22 0.03 0.00 0.53 0.00 0.00 43.42 44.20 1xwe n LEU 1621CO 0.00 1.50 0.14 0.47 -1.11 0.00 0.00 177.39 178.39 1xwe n ASP 1622N -1.23 0.34 -4.30 1.96 9.92 -1.26 -4.25 116.55 117.72 1xwe n ASP 1622Ca -0.10 -1.28 -0.33 0.00 -0.53 0.00 0.00 54.79 52.55 1xwe n ASP 1622Cb 0.85 -0.16 -0.06 0.00 -0.64 0.00 0.00 41.12 41.12 1xwe n ASP 1622CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1xwe n SER 1623N -2.97 2.92 0.00 -2.24 2.88 -1.26 -2.56 113.62 110.39 1xwe n SER 1623Ca 0.04 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1xwe n SER 1623Cb 0.15 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.05 1xwe n SER 1623CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xwe n LEU 1624N 12.32 0.00 -4.56 2.46 7.94 -1.26 -4.91 117.00 128.99 1xwe n LEU 1624Ca 0.46 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.95 1xwe n LEU 1624Cb 0.45 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.37 1xwe n LEU 1624CO 0.79 0.00 1.20 -0.89 -1.11 0.00 0.00 177.39 177.38 1xwe s THR 1625N -0.15 3.74 -0.24 1.96 2.01 -1.06 -4.78 115.64 117.12 1xwe s THR 1625Ca 0.00 0.49 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1xwe s THR 1625Cb 0.00 -4.76 -0.03 0.00 0.01 0.00 0.00 72.50 67.71 1xwe s THR 1625CO 0.00 -1.64 1.80 0.86 -0.69 0.00 0.00 174.62 174.95 1xwe s TRP 1626N 5.93 1.79 -0.06 4.92 -0.11 -0.89 -4.92 118.94 125.60 1xwe s TRP 1626Ca 0.41 0.49 0.06 0.00 1.22 0.00 0.00 56.10 58.27 1xwe s TRP 1626Cb -0.09 -4.05 -0.01 0.00 -1.50 0.00 0.00 33.47 27.82 1xwe s TRP 1626CO 0.18 -3.33 -0.25 0.42 -4.62 0.00 0.00 176.95 169.35 1xwe s ILE 1627N 6.21 2.08 -0.18 5.86 1.01 -1.25 -1.94 121.20 132.99 1xwe s ILE 1627Ca 0.80 -1.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.38 1xwe s ILE 1627Cb -0.27 -1.75 0.05 0.00 0.01 0.00 0.00 42.46 40.50 1xwe s ILE 1627CO 0.33 0.57 0.00 -0.70 0.00 0.00 0.00 174.94 175.14 1xwe s GLU 1628N -0.14 0.93 -0.15 2.79 2.56 -0.87 -4.36 118.70 119.47 1xwe s GLU 1628Ca -0.04 -0.47 -0.31 0.00 0.00 0.00 0.00 54.97 54.14 1xwe s GLU 1628Cb -0.14 -2.05 -0.09 0.00 2.00 0.00 0.00 34.13 33.85 1xwe s GLU 1628CO 0.04 -0.56 2.08 0.98 -0.56 0.00 0.00 175.26 177.23 1xwe n TYR 1629N 4.97 2.11 -3.37 5.30 9.36 -1.26 -1.16 117.16 133.11 1xwe n TYR 1629Ca -0.10 -0.08 -0.45 0.00 3.32 0.00 0.00 57.90 60.59 1xwe n TYR 1629Cb 0.47 -2.70 -0.07 0.00 -0.63 0.00 0.00 39.34 36.42 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 6.26 3.25 -0.75 2.98 -0.11 -0.35 -4.84 118.94 125.38 1xwe s TRP 1630Ca 0.98 -1.09 -0.32 0.00 1.22 0.00 0.00 56.10 56.88 1xwe s TRP 1630Cb -0.54 -3.38 -0.17 0.00 -1.50 0.00 0.00 33.47 27.88 1xwe s TRP 1630CO 0.43 -0.88 2.51 -2.30 -4.62 0.00 0.00 176.95 172.09 1xwe n PRO 1631N 5.20 0.34 -0.30 5.86 -0.02 -1.26 -3.80 135.00 141.01 1xwe n PRO 1631Ca -0.13 0.03 0.06 0.00 -2.02 0.00 0.00 63.50 61.44 1xwe n PRO 1631Cb 0.42 -2.00 0.20 0.00 -0.02 0.00 0.00 33.50 32.10 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 13.16 0.71 -5.68 -0.52 1.12 -1.93 -3.37 114.38 117.88 1xwe h ARG 1632Ca -0.12 -0.04 -0.63 0.00 -1.11 0.00 0.00 59.98 58.07 1xwe h ARG 1632Cb 1.32 -0.16 -0.13 0.00 -0.01 0.00 0.00 29.97 30.98 1xwe h ARG 1632CO 1.26 0.47 0.29 -0.51 -3.11 0.00 0.00 179.97 178.37 1xwe s ASP 1633N -5.53 6.40 -0.24 -3.80 1.11 -1.26 -4.90 116.67 108.46 1xwe s ASP 1633Ca -0.12 -0.11 -0.14 0.00 0.18 0.00 0.00 52.55 52.36 1xwe s ASP 1633Cb 0.21 -2.37 -0.16 0.00 1.07 0.00 0.00 42.92 41.67 1xwe s ASP 1633CO 0.78 -0.85 -0.07 0.35 1.18 0.00 0.00 175.17 176.56 1xwe n THR 1634N 6.01 1.55 0.43 -1.27 -2.24 -1.26 -4.29 114.28 113.21 1xwe n THR 1634Ca 0.01 -0.30 0.02 0.00 -2.27 0.00 0.00 64.05 61.51 1xwe n THR 1634Cb 0.48 -1.88 0.12 0.00 -2.10 0.00 0.00 70.33 66.95 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 -4.14 0.86 -0.16 4.28 -2.24 -1.26 -4.30 114.28 107.32 1xwe n THR 1635Ca -0.44 -0.42 -0.03 0.00 -2.27 0.00 0.00 64.05 60.89 1xwe n THR 1635Cb 0.84 -0.45 0.06 0.00 -2.10 0.00 0.00 70.33 68.68 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 -4.98 -2.18 -0.58 0.00 3.41 -1.26 -5.01 113.62 103.01 1xwe n SER 1637Ca 0.05 0.54 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 1xwe n SER 1637Cb 0.19 2.22 -0.02 0.00 -0.26 0.00 0.00 64.21 66.34 1xwe n SER 1637CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xwe n SER 1638N -2.97 -0.34 -0.99 4.04 3.41 -1.26 -4.96 113.62 110.55 1xwe n SER 1638Ca 0.00 -0.99 -0.02 0.00 -0.26 0.00 0.00 58.87 57.61 1xwe n SER 1638Cb 0.00 0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.23 1.68 -0.14 0.00 6.02 -1.26 -4.12 117.38 119.79 1xwe n GLN 1640Ca 0.06 -1.01 -0.08 0.00 -0.01 0.00 0.00 57.00 55.95 1xwe n GLN 1640Cb 0.55 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe h ALA 1641N 4.17 0.55 0.00 -1.58 0.00 -1.97 -1.82 119.26 118.62 1xwe h ALA 1641Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1xwe h ALA 1641Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xwe h ALA 1641CO 0.00 0.06 -0.75 0.35 0.00 0.00 0.00 179.25 178.92 1xwe h PHE 1642N 0.57 0.00 0.00 0.00 3.57 -1.92 -3.25 116.94 115.90 1xwe h PHE 1642Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1xwe h PHE 1642Cb 0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1xwe h PHE 1642CO -0.03 0.30 0.00 1.28 -2.23 0.00 0.00 178.31 177.64 1xwe n LEU 1643N -2.99 0.27 0.08 0.59 4.77 -1.04 -2.79 117.00 115.89 1xwe n LEU 1643Ca -0.01 0.55 -0.12 0.00 -0.03 0.00 0.00 56.01 56.39 1xwe n LEU 1643Cb 0.68 -0.49 -0.13 0.00 -2.33 0.00 0.00 43.42 41.14 1xwe n LEU 1643CO 0.40 -0.25 -0.00 0.00 -1.33 0.00 0.00 177.39 176.21 1xwe h ALA 1644N 2.57 0.22 0.00 -1.18 0.00 -1.37 -3.16 119.26 116.34 1xwe h ALA 1644Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 54.91 53.90 1xwe h ALA 1644Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xwe h ALA 1644CO 0.00 1.10 -0.43 -0.91 0.00 0.00 0.00 179.25 179.02 1xwe h ASN 1645N 0.04 0.00 0.64 0.00 2.35 -1.69 -3.14 115.58 113.78 1xwe h ASN 1645Ca -0.10 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.49 1xwe h ASN 1645Cb 1.90 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.25 1xwe h ASN 1645CO 0.17 0.43 -0.77 -0.07 -1.65 0.00 0.00 177.43 175.54 1xwe h LEU 1646N 0.00 0.13 -1.48 1.61 3.38 -1.60 -3.11 115.31 114.24 1xwe h LEU 1646Ca -0.00 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1xwe h LEU 1646Cb 1.13 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1xwe h LEU 1646CO 0.06 0.84 -0.19 -0.78 0.09 0.00 0.00 178.44 178.46 1xwe h ASP 1647N 0.06 0.10 -0.13 -0.43 1.82 -1.51 -2.86 116.42 113.47 1xwe h ASP 1647Ca -0.02 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 1xwe h ASP 1647Cb 1.35 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.33 1xwe h ASP 1647CO 0.11 0.30 -0.03 -0.33 -1.61 0.00 0.00 179.24 177.67 1xwe h GLU 1648N 0.10 0.24 -0.37 0.28 5.08 -1.61 -2.84 114.58 115.46 1xwe h GLU 1648Ca 0.02 -0.09 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 1xwe h GLU 1648Cb 0.40 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1xwe h GLU 1648CO 0.03 0.54 0.30 0.35 -1.00 0.00 0.00 179.01 179.23 1xwe h PHE 1649N -0.07 0.00 -0.56 4.33 3.57 -1.54 -0.12 116.94 122.54 1xwe h PHE 1649Ca 0.03 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 1xwe h PHE 1649Cb 0.46 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1xwe h PHE 1649CO 0.05 0.00 0.05 0.00 -2.23 0.00 0.00 178.31 176.19 1xwe h ALA 1650N 1.74 0.74 -0.00 2.41 0.00 -1.38 -2.31 119.26 120.46 1xwe h ALA 1650Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xwe h ALA 1650Cb 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xwe h ALA 1650CO -0.00 0.52 -0.27 -1.91 0.00 0.00 0.00 179.25 177.60 1xwe n GLU 1651N -4.30 0.41 0.00 0.00 2.13 -0.22 -3.49 120.64 115.17 1xwe n GLU 1651Ca 0.02 -0.20 0.00 0.00 0.66 0.00 0.00 57.16 57.65 1xwe n GLU 1651Cb 0.30 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.51 1xwe n GLU 1651CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1xwe n ASP 1652N -1.12 0.00 0.13 4.31 8.00 -0.29 -2.45 116.55 125.13 1xwe n ASP 1652Ca 0.10 0.32 0.19 0.00 0.71 0.00 0.00 54.79 56.11 1xwe n ASP 1652Cb 0.32 -0.42 0.77 0.00 -0.02 0.00 0.00 41.12 41.77 1xwe n ASP 1652CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xwe h ILE 1653N 0.00 0.40 0.04 0.53 6.09 -1.63 0.73 117.51 123.68 1xwe h ILE 1653Ca 0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1xwe h ILE 1653Cb 0.00 0.70 0.00 0.00 0.47 0.00 0.00 36.82 37.99 1xwe h ILE 1653CO 0.00 0.00 -0.02 0.15 -3.07 0.00 0.00 178.15 175.21 1xwe h PHE 1654N 0.00 -0.05 0.00 2.19 3.57 -1.73 -3.32 116.94 117.60 1xwe h PHE 1654Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1xwe h PHE 1654Cb 0.91 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1xwe h PHE 1654CO 0.00 0.24 -0.08 1.25 -2.23 0.00 0.00 178.31 177.48 1xwe h LEU 1655N -1.00 0.00 0.00 0.59 7.12 -1.09 -3.42 115.31 117.51 1xwe h LEU 1655Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1xwe h LEU 1655Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1xwe h LEU 1655CO 0.01 0.25 0.00 0.59 -0.13 0.00 0.00 178.44 179.16 1xwe n ASN 1656N -3.19 0.00 0.00 1.25 3.02 0.22 -5.01 115.26 111.55 1xwe n ASN 1656Ca -0.01 0.79 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1xwe n ASN 1656Cb 0.04 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.81 -1.89 0.00 7.41 0.00 0.89 -4.95 105.19 105.84 1xwe n GLY 1657Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32