#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 -7.39 0.29 1.61 2.88 -1.26 -4.70 113.62 105.06 1xwe n SER 1509Ca 0.00 1.01 0.18 0.00 -1.33 0.00 0.00 58.87 58.73 1xwe n SER 1509Cb 0.00 -3.60 0.84 0.00 -0.75 0.00 0.00 64.21 60.70 1xwe n SER 1509CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1xwe h HIS 1510N 1.85 0.00 -4.88 0.66 -0.00 -2.01 -3.48 115.15 107.29 1xwe h HIS 1510Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1xwe h HIS 1510Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.29 1xwe h HIS 1510CO 0.00 0.03 -1.49 -0.12 -0.00 0.00 0.00 177.93 176.35 1xwe n MET 1511N -3.17 -4.59 -4.42 2.45 0.00 -1.26 -5.05 117.12 101.08 1xwe n MET 1511Ca -0.01 3.45 -0.26 0.00 -0.00 0.00 0.00 57.70 60.88 1xwe n MET 1511Cb 0.23 -4.92 -0.13 0.00 0.00 0.00 0.00 33.22 28.40 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe s ALA 1512N -0.64 1.93 0.07 -5.12 0.00 -1.01 -5.05 121.76 111.94 1xwe s ALA 1512Ca -0.25 -1.25 -0.15 0.00 0.00 0.00 0.00 51.96 50.32 1xwe s ALA 1512Cb 0.02 -0.30 -0.22 0.00 0.00 0.00 0.00 23.12 22.61 1xwe s ALA 1512CO 0.67 0.41 1.20 -0.44 0.00 0.00 0.00 175.76 177.60 1xwe h ASP 1513N 4.25 0.87 0.00 0.00 5.19 -1.97 -2.97 116.42 121.79 1xwe h ASP 1513Ca -0.46 -0.72 0.00 0.00 -0.62 0.00 0.00 57.03 55.23 1xwe h ASP 1513Cb 1.17 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.42 1xwe h ASP 1513CO 0.41 1.47 0.00 0.00 -3.12 0.00 0.00 179.24 178.00 1xwe n GLY 1515N 0.00 -0.29 0.58 0.00 0.00 -0.89 -2.95 105.19 101.63 1xwe n GLY 1515Ca 0.00 0.12 0.42 0.00 0.00 0.00 0.00 46.02 46.56 1xwe n GLY 1515CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1xwe h GLN 1516N 11.39 0.05 0.00 1.61 4.15 -1.74 -3.15 115.11 127.41 1xwe h GLN 1516Ca 0.01 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1xwe h GLN 1516Cb 1.02 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.70 1xwe h GLN 1516CO 1.10 0.03 0.00 0.00 -1.93 0.00 0.00 178.83 178.03 1xwe n MET 1517N -4.25 0.00 -4.26 1.69 0.00 -1.26 -4.74 117.12 104.30 1xwe n MET 1517Ca 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.91 1xwe n MET 1517Cb 1.57 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 34.69 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 0.00 1.18 1.07 3.17 -1.52 -0.94 -4.90 119.66 117.72 1xwe s GLN 1518Ca 0.00 -1.59 -0.12 0.00 -1.95 0.00 0.00 55.36 51.70 1xwe s GLN 1518Cb 0.00 -0.30 0.23 0.00 -0.22 0.00 0.00 33.01 32.72 1xwe s GLN 1518CO 0.00 -0.15 1.06 -1.21 -0.25 0.00 0.00 175.29 174.74 1xwe s GLU 1519N -3.93 -0.16 0.00 2.91 2.02 -1.26 -4.53 118.70 113.76 1xwe s GLU 1519Ca 0.27 0.84 0.00 0.00 0.02 0.00 0.00 54.97 56.10 1xwe s GLU 1519Cb 0.06 -1.64 0.00 0.00 0.10 0.00 0.00 34.13 32.65 1xwe s GLU 1519CO 0.06 -3.21 0.41 0.39 0.02 0.00 0.00 175.26 172.93 1xwe n GLU 1520N -4.56 0.00 -3.40 1.61 1.02 -1.26 -4.50 120.64 109.56 1xwe n GLU 1520Ca 0.05 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.75 1xwe n GLU 1520Cb 0.55 -0.91 -0.08 0.00 -0.02 0.00 0.00 31.44 30.98 1xwe n GLU 1520CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xwe s LEU 1521N -1.00 5.57 -0.24 -4.62 2.01 -1.26 -4.80 118.68 114.34 1xwe s LEU 1521Ca 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 54.13 52.83 1xwe s LEU 1521Cb 0.00 -2.18 0.08 0.00 0.01 0.00 0.00 46.19 44.10 1xwe s LEU 1521CO 0.00 -0.62 0.09 -0.62 1.01 0.00 0.00 176.35 176.20 1xwe s ASP 1522N 2.50 3.16 -0.57 2.29 2.15 -1.26 -5.10 116.67 119.83 1xwe s ASP 1522Ca 0.04 -1.05 -0.17 0.00 0.43 0.00 0.00 52.55 51.80 1xwe s ASP 1522Cb -0.24 -0.50 0.12 0.00 -0.30 0.00 0.00 42.92 42.01 1xwe s ASP 1522CO 0.07 -0.37 0.60 -0.76 -0.17 0.00 0.00 175.17 174.54 1xwe s LEU 1523N 1.95 5.84 0.00 -1.34 1.43 -1.26 -4.39 118.68 120.91 1xwe s LEU 1523Ca 0.04 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.49 1xwe s LEU 1523Cb -0.17 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1xwe s LEU 1523CO -0.19 -0.97 0.00 1.07 0.23 0.00 0.00 176.35 176.49 1xwe n THR 1524N 5.35 0.00 -3.12 5.49 5.66 -1.26 -5.12 114.28 121.29 1xwe n THR 1524Ca -0.11 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.48 1xwe n THR 1524Cb 0.41 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.13 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 -0.01 4.97 0.84 1.09 1.01 -1.26 -5.06 121.20 122.77 1xwe s ILE 1525Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 60.65 61.52 1xwe s ILE 1525Cb 0.00 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.62 1xwe s ILE 1525CO 0.00 -0.04 1.21 -0.94 0.00 0.00 0.00 174.94 175.16 1xwe s SER 1526N 1.55 4.20 0.00 3.58 1.04 -1.26 -4.95 113.70 117.86 1xwe s SER 1526Ca 0.25 0.66 0.32 0.00 0.48 0.00 0.00 55.95 57.66 1xwe s SER 1526Cb -0.15 -1.05 1.82 0.00 0.10 0.00 0.00 66.02 66.74 1xwe s SER 1526CO 0.10 -2.08 2.19 0.00 0.98 0.00 0.00 173.24 174.43 1xwe n ALA 1527N -3.41 2.65 -0.09 5.32 0.00 -1.26 -3.40 120.51 120.32 1xwe n ALA 1527Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1xwe n ALA 1527Cb 0.61 -1.51 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.05 0.84 -0.13 0.00 1.02 -1.26 -3.97 120.64 116.09 1xwe n GLU 1528Ca 0.22 0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.34 1xwe n GLU 1528Cb 0.14 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.21 0.00 2.62 2.02 -1.94 -2.13 112.91 114.69 1xwe h THR 1529Ca -0.43 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1xwe h THR 1529Cb 1.78 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1xwe h THR 1529CO -0.04 0.24 0.00 -2.11 0.37 0.00 0.00 175.52 173.99 1xwe n ARG 1530N -4.62 0.04 0.09 6.66 1.85 -1.22 -3.05 116.66 116.41 1xwe n ARG 1530Ca -0.01 0.06 0.02 0.00 -1.00 0.00 0.00 57.85 56.93 1xwe n ARG 1530Cb 0.18 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1xwe h LYS 1531N 0.00 0.00 0.00 2.89 1.63 -1.56 -3.29 116.57 116.24 1xwe h LYS 1531Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1xwe h LYS 1531Cb 0.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1xwe h LYS 1531CO 0.00 0.33 0.03 1.96 -3.45 0.00 0.00 179.45 178.32 1xwe h GLN 1532N 0.00 0.00 0.00 1.90 1.08 -1.32 0.30 115.11 117.07 1xwe h GLN 1532Ca -0.08 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.82 1xwe h GLN 1532Cb 1.43 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.81 1xwe h GLN 1532CO 0.05 0.00 -1.76 2.41 -0.95 0.00 0.00 178.83 178.57 1xwe n THR 1533N -2.50 1.60 0.21 -0.54 -1.04 -1.24 -4.02 114.28 106.75 1xwe n THR 1533Ca -0.02 -0.80 0.07 0.00 -2.04 0.00 0.00 64.05 61.27 1xwe n THR 1533Cb 0.07 -1.02 0.47 0.00 -1.82 0.00 0.00 70.33 68.04 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 0.98 1.20 -0.02 2.41 0.00 -1.08 -2.11 119.26 120.63 1xwe h ALA 1534Ca -0.31 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1xwe h ALA 1534Cb 2.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1xwe h ALA 1534CO 0.08 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1xwe s LYS 1536N -1.98 4.04 0.60 0.00 1.02 -0.80 -4.97 119.74 117.65 1xwe s LYS 1536Ca 0.41 0.55 0.30 0.00 0.02 0.00 0.00 55.97 57.25 1xwe s LYS 1536Cb 0.21 -3.10 1.78 0.00 -0.52 0.00 0.00 37.83 36.20 1xwe s LYS 1536CO 0.34 0.58 2.18 -1.35 -0.92 0.00 0.00 175.35 176.18 1xwe h PRO 1537N 4.13 0.00 -0.29 -1.68 0.11 -1.89 -1.42 132.00 130.97 1xwe h PRO 1537Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1xwe h PRO 1537Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1xwe h PRO 1537CO 0.64 0.00 0.10 1.49 -0.21 0.00 0.00 178.00 180.02 1xwe h GLU 1538N 0.00 0.41 -4.45 1.05 4.81 -1.93 -3.38 114.58 111.09 1xwe h GLU 1538Ca 0.04 -0.05 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1xwe h GLU 1538Cb 0.25 -0.08 -0.21 0.00 0.63 0.00 0.00 28.75 29.33 1xwe h GLU 1538CO -0.00 0.35 -0.29 0.42 -0.73 0.00 0.00 179.01 178.76 1xwe s ILE 1539N -5.19 5.18 -0.10 2.32 -1.09 -0.54 -1.42 121.20 120.37 1xwe s ILE 1539Ca -0.07 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.38 1xwe s ILE 1539Cb 0.17 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.87 1xwe s ILE 1539CO 0.73 -0.56 0.23 0.00 -1.23 0.00 0.00 174.94 174.11 1xwe h ALA 1540N 8.77 -0.07 -1.99 9.38 0.00 -0.52 -3.44 119.26 131.38 1xwe h ALA 1540Ca -0.28 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.01 1xwe h ALA 1540Cb 1.11 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1xwe h ALA 1540CO 0.87 -0.07 -0.51 1.52 0.00 0.00 0.00 179.25 181.05 1xwe s TYR 1541N -1.96 2.89 -0.23 0.00 -0.85 -0.11 -4.54 117.35 112.55 1xwe s TYR 1541Ca -0.04 -0.26 -0.08 0.00 -0.52 0.00 0.00 57.07 56.16 1xwe s TYR 1541Cb -0.00 -1.58 0.10 0.00 0.38 0.00 0.00 41.96 40.86 1xwe s TYR 1541CO 0.16 0.36 0.50 0.00 -1.52 0.00 0.00 175.55 175.05 1xwe s ALA 1542N -2.29 -1.45 0.10 9.51 0.00 -0.84 -2.30 121.76 124.49 1xwe s ALA 1542Ca 0.37 1.80 -0.16 0.00 0.00 0.00 0.00 51.96 53.97 1xwe s ALA 1542Cb -0.06 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.68 1xwe s ALA 1542CO 0.24 -0.76 0.74 2.48 0.00 0.00 0.00 175.76 178.47 1xwe n TYR 1543N 5.28 -0.95 -4.46 0.00 0.18 -0.92 0.14 117.16 116.43 1xwe n TYR 1543Ca -0.11 -0.80 -0.34 0.00 1.88 0.00 0.00 57.90 58.54 1xwe n TYR 1543Cb 0.50 0.38 -0.14 0.00 -0.38 0.00 0.00 39.34 39.71 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1xwe s LYS 1544N -2.03 3.41 0.50 -3.48 2.20 -0.92 -1.68 119.74 117.75 1xwe s LYS 1544Ca 0.17 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1xwe s LYS 1544Cb -0.02 -2.78 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1xwe s LYS 1544CO 0.03 0.09 0.01 1.33 -0.36 0.00 0.00 175.35 176.45 1xwe n VAL 1545N 3.91 0.00 -3.68 4.02 0.24 -0.89 -0.79 118.33 121.14 1xwe n VAL 1545Ca -0.18 -2.42 -0.09 0.00 -2.04 0.00 0.00 64.34 59.60 1xwe n VAL 1545Cb 0.52 0.52 -0.10 0.00 -1.47 0.00 0.00 33.84 33.31 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 -3.79 -0.43 0.42 -1.34 0.15 -0.38 -1.69 113.70 106.64 1xwe s SER 1546Ca 0.02 0.97 -0.25 0.00 0.70 0.00 0.00 55.95 57.39 1xwe s SER 1546Cb 0.00 1.06 -0.08 0.00 -1.71 0.00 0.00 66.02 65.29 1xwe s SER 1546CO 0.01 -0.21 1.27 -0.63 1.20 0.00 0.00 173.24 174.88 1xwe s ILE 1547N 1.94 2.73 0.00 6.45 -1.09 -1.01 -1.41 121.20 128.80 1xwe s ILE 1547Ca -0.06 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1xwe s ILE 1547Cb -0.10 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 1xwe s ILE 1547CO -0.13 0.07 0.00 0.35 -1.23 0.00 0.00 174.94 174.00 1xwe n THR 1548N -0.00 0.00 -3.75 2.92 -2.24 -0.69 -1.15 114.28 109.38 1xwe n THR 1548Ca 0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1xwe n THR 1548Cb 0.45 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.06 -0.08 -0.13 3.42 0.15 -0.59 -4.84 113.70 110.57 1xwe s SER 1549Ca 0.00 -0.49 -0.02 0.00 0.70 0.00 0.00 55.95 56.13 1xwe s SER 1549Cb 0.00 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.78 1xwe s SER 1549CO 0.00 -0.82 0.03 -0.63 1.20 0.00 0.00 173.24 173.02 1xwe s ILE 1550N -3.84 0.35 -0.21 6.45 1.01 -1.26 -1.53 121.20 122.16 1xwe s ILE 1550Ca 0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 1xwe s ILE 1550Cb 0.03 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.75 1xwe s ILE 1550CO -0.10 0.02 0.27 -0.89 0.00 0.00 0.00 174.94 174.23 1xwe s THR 1551N 1.96 5.29 -0.09 2.92 2.01 0.13 -4.97 115.64 122.89 1xwe s THR 1551Ca 0.02 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.48 1xwe s THR 1551Cb -0.14 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1xwe s THR 1551CO -0.07 0.32 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.33 1xwe s VAL 1552N 1.04 1.47 0.00 3.82 1.01 -1.26 0.12 120.40 126.60 1xwe s VAL 1552Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1xwe s VAL 1552Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1xwe s VAL 1552CO 0.05 0.43 0.00 -0.62 0.00 0.00 0.00 175.10 174.97 1xwe n GLU 1553N 3.91 0.00 0.01 2.72 1.02 -1.26 -5.02 120.64 122.02 1xwe n GLU 1553Ca -0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1xwe n GLU 1553Cb 0.52 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xwe n ASN 1554N -1.76 -0.09 -0.10 1.62 3.02 -1.26 -5.02 115.26 111.67 1xwe n ASN 1554Ca 0.00 0.03 -0.19 0.00 -0.03 0.00 0.00 54.58 54.39 1xwe n ASN 1554Cb 0.00 0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1xwe n VAL 1555N -2.55 1.14 -3.05 2.41 0.31 -1.26 -4.90 118.33 110.44 1xwe n VAL 1555Ca 0.00 -0.34 -0.43 0.00 -0.01 0.00 0.00 64.34 63.56 1xwe n VAL 1555Cb 0.00 -1.57 -0.06 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 -2.39 3.01 -0.46 3.52 0.40 -1.26 -1.61 117.98 119.18 1xwe s PHE 1556Ca -0.28 -0.09 -0.20 0.00 -0.60 0.00 0.00 56.93 55.76 1xwe s PHE 1556Cb 0.10 -3.56 0.03 0.00 0.51 0.00 0.00 43.02 40.10 1xwe s PHE 1556CO 0.40 -1.00 0.62 0.08 0.70 0.00 0.00 175.22 176.03 1xwe s VAL 1557N 3.05 4.86 0.62 -0.44 1.01 0.83 -4.10 120.40 126.23 1xwe s VAL 1557Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 1xwe s VAL 1557Cb -0.14 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1xwe s VAL 1557CO 0.19 -0.66 1.03 -0.54 0.00 0.00 0.00 175.10 175.12 1xwe s LYS 1558N 2.73 3.53 -0.04 2.72 -0.14 0.12 -1.73 119.74 126.93 1xwe s LYS 1558Ca 0.19 0.83 -0.02 0.00 -1.36 0.00 0.00 55.97 55.61 1xwe s LYS 1558Cb -0.16 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 33.95 1xwe s LYS 1558CO 0.16 -0.62 0.07 0.71 -0.76 0.00 0.00 175.35 174.91 1xwe s TYR 1559N -3.06 0.02 -0.22 3.18 2.02 0.03 -0.69 117.35 118.63 1xwe s TYR 1559Ca 0.56 0.29 -0.16 0.00 -0.37 0.00 0.00 57.07 57.40 1xwe s TYR 1559Cb -0.11 -0.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.99 1xwe s TYR 1559CO 0.50 -0.19 0.42 0.21 -1.57 0.00 0.00 175.55 174.92 1xwe s LYS 1560N 2.03 4.14 0.42 -0.62 2.47 -0.58 -1.07 119.74 126.52 1xwe s LYS 1560Ca 0.03 0.20 0.04 0.00 -1.56 0.00 0.00 55.97 54.68 1xwe s LYS 1560Cb -0.12 -3.57 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 1xwe s LYS 1560CO -0.03 -0.12 0.16 0.00 0.16 0.00 0.00 175.35 175.51 1xwe n ALA 1561N 4.76 0.60 -3.73 3.13 0.00 -0.93 -1.54 120.51 122.80 1xwe n ALA 1561Ca -0.08 -2.15 -0.15 0.00 0.00 0.00 0.00 53.44 51.07 1xwe n ALA 1561Cb 0.51 1.46 -0.15 0.00 0.00 0.00 0.00 19.45 21.27 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 -3.16 -0.10 -0.38 0.00 2.01 -0.50 -3.15 115.64 110.36 1xwe s THR 1562Ca 0.22 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 1xwe s THR 1562Cb 0.01 -0.22 -0.02 0.00 0.01 0.00 0.00 72.50 72.28 1xwe s THR 1562CO 0.16 0.10 1.84 -0.22 -0.69 0.00 0.00 174.62 175.81 1xwe s LEU 1563N 1.44 3.47 0.06 4.42 2.96 -1.18 -1.24 118.68 128.60 1xwe s LEU 1563Ca -0.06 1.14 -0.23 0.00 -0.22 0.00 0.00 54.13 54.76 1xwe s LEU 1563Cb -0.12 -3.31 -0.15 0.00 0.50 0.00 0.00 46.19 43.11 1xwe s LEU 1563CO -0.05 -1.87 1.58 -0.07 -1.32 0.00 0.00 176.35 174.62 1xwe h LEU 1564N 14.39 0.06 -7.06 -0.68 3.38 -1.25 0.17 115.31 124.32 1xwe h LEU 1564Ca -0.32 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1xwe h LEU 1564Cb 1.17 -0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.71 1xwe h LEU 1564CO 1.07 0.21 0.13 -0.62 0.09 0.00 0.00 178.44 179.32 1xwe s ASP 1565N -5.42 -0.61 0.09 -0.43 2.15 -0.92 -4.05 116.67 107.48 1xwe s ASP 1565Ca -0.14 0.69 -0.21 0.00 0.43 0.00 0.00 52.55 53.32 1xwe s ASP 1565Cb 0.05 0.57 -0.07 0.00 -0.30 0.00 0.00 42.92 43.17 1xwe s ASP 1565CO 0.67 -0.57 0.62 -0.63 -0.17 0.00 0.00 175.17 175.10 1xwe s ILE 1566N -1.10 4.65 -0.01 4.11 1.01 -1.26 -2.17 121.20 126.43 1xwe s ILE 1566Ca -0.11 1.34 0.03 0.00 0.00 0.00 0.00 60.65 61.92 1xwe s ILE 1566Cb -0.01 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 1xwe s ILE 1566CO 0.09 0.54 0.07 -1.22 0.00 0.00 0.00 174.94 174.42 1xwe n TYR 1567N 1.72 0.00 -3.15 3.97 4.02 -0.07 -4.94 117.16 118.72 1xwe n TYR 1567Ca -0.09 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.84 1xwe n TYR 1567Cb 0.50 -0.08 -0.01 0.00 -0.02 0.00 0.00 39.34 39.73 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 -2.22 0.50 0.30 -0.72 2.20 0.36 -4.14 119.74 116.03 1xwe s LYS 1568Ca -0.01 0.83 -0.25 0.00 -0.36 0.00 0.00 55.97 56.18 1xwe s LYS 1568Cb 0.02 0.46 -0.16 0.00 -1.51 0.00 0.00 37.83 36.64 1xwe s LYS 1568CO 0.14 -0.60 0.41 2.41 -0.36 0.00 0.00 175.35 177.35 1xwe n THR 1569N 5.43 1.51 -3.53 3.43 -1.04 -1.26 -1.99 114.28 116.83 1xwe n THR 1569Ca -0.01 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.13 1xwe n THR 1569Cb 0.52 -0.13 -0.07 0.00 -1.82 0.00 0.00 70.33 68.83 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 -0.96 2.27 0.55 3.41 0.00 -1.26 -4.31 107.32 107.02 1xwe s GLY 1570Ca 0.62 -0.40 0.23 0.00 0.00 0.00 0.00 44.72 45.18 1xwe s GLY 1570CO 0.59 0.37 2.14 0.83 0.00 0.00 0.00 173.10 177.02 1xwe h GLU 1571N 6.24 0.00 -1.60 2.90 4.39 -1.92 -1.70 114.58 122.89 1xwe h GLU 1571Ca -0.44 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 58.91 1xwe h GLU 1571Cb 1.18 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.68 1xwe h GLU 1571CO 0.72 0.00 0.41 0.00 -1.16 0.00 0.00 179.01 178.98 1xwe n ALA 1572N -2.46 5.37 -2.83 3.43 0.00 -1.26 -4.87 120.51 117.89 1xwe n ALA 1572Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 53.44 51.52 1xwe n ALA 1572Cb 0.23 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 0.45 -9.94 -4.77 0.00 0.31 -0.66 -4.85 118.33 98.86 1xwe n VAL 1573Ca 0.34 1.51 -0.33 0.00 -0.01 0.00 0.00 64.34 65.84 1xwe n VAL 1573Cb 0.58 -6.15 -0.14 0.00 -0.91 0.00 0.00 33.84 27.22 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 -1.58 2.68 0.09 3.52 0.00 -1.10 -4.92 121.76 120.44 1xwe s ALA 1574Ca 0.02 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.12 1xwe s ALA 1574Cb -0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1xwe s ALA 1574CO 0.64 0.35 -0.12 -1.21 0.00 0.00 0.00 175.76 175.41 1xwe s GLU 1575N 0.01 0.85 0.59 0.00 2.02 -1.26 -4.46 118.70 116.44 1xwe s GLU 1575Ca -0.03 -1.07 -0.20 0.00 0.02 0.00 0.00 54.97 53.68 1xwe s GLU 1575Cb -0.14 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.36 1xwe s GLU 1575CO 0.04 0.13 1.27 -1.59 0.02 0.00 0.00 175.26 175.14 1xwe s LYS 1576N -2.31 2.94 -0.68 1.61 -2.85 -1.26 -2.38 119.74 114.81 1xwe s LYS 1576Ca 0.02 2.01 0.00 0.00 -1.00 0.00 0.00 55.97 57.00 1xwe s LYS 1576Cb -0.06 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1xwe s LYS 1576CO 0.01 -1.28 0.00 -0.40 0.10 0.00 0.00 175.35 173.79 1xwe n ASP 1577N -1.46 -2.86 -2.13 0.03 5.68 0.60 -4.92 116.55 111.49 1xwe n ASP 1577Ca 0.13 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.72 1xwe n ASP 1577Cb 0.48 -2.49 0.00 0.00 -1.14 0.00 0.00 41.12 37.97 1xwe n ASP 1577CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1xwe n SER 1578N -1.67 -0.04 -4.63 -1.12 2.88 -1.00 -4.79 113.62 103.25 1xwe n SER 1578Ca -0.09 -0.87 -0.33 0.00 -1.33 0.00 0.00 58.87 56.25 1xwe n SER 1578Cb 0.57 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.93 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1xwe s GLU 1579N -2.67 2.68 -0.01 -1.46 2.12 -1.26 -3.13 118.70 114.97 1xwe s GLU 1579Ca 0.00 -0.65 -0.13 0.00 0.36 0.00 0.00 54.97 54.55 1xwe s GLU 1579Cb 0.00 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.82 1xwe s GLU 1579CO 0.00 0.62 0.26 0.96 -0.54 0.00 0.00 175.26 176.56 1xwe s ILE 1580N -1.02 0.07 -0.11 -3.70 -4.36 -1.19 -4.91 121.20 105.99 1xwe s ILE 1580Ca 0.18 -0.54 -0.01 0.00 -0.26 0.00 0.00 60.65 60.01 1xwe s ILE 1580Cb -0.11 -0.56 0.03 0.00 1.25 0.00 0.00 42.46 43.07 1xwe s ILE 1580CO 0.08 -0.30 -0.00 -0.89 0.24 0.00 0.00 174.94 174.07 1xwe s THR 1581N -1.35 0.53 -0.21 8.37 2.01 -1.26 -2.19 115.64 121.54 1xwe s THR 1581Ca -0.14 -0.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1xwe s THR 1581Cb -0.06 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1xwe s THR 1581CO 0.03 0.17 0.00 -0.36 -0.69 0.00 0.00 174.62 173.78 1xwe s PHE 1582N 1.90 3.03 -0.07 4.92 0.08 -0.23 -1.36 117.98 126.25 1xwe s PHE 1582Ca 0.04 -0.52 -0.17 0.00 0.12 0.00 0.00 56.93 56.39 1xwe s PHE 1582Cb -0.13 -2.11 -0.05 0.00 -0.57 0.00 0.00 43.02 40.16 1xwe s PHE 1582CO -0.06 -0.30 0.46 0.42 -0.10 0.00 0.00 175.22 175.64 1xwe s ILE 1583N 1.14 5.10 0.01 0.64 1.01 -0.82 -0.79 121.20 127.50 1xwe s ILE 1583Ca 0.03 0.93 0.02 0.00 0.00 0.00 0.00 60.65 61.63 1xwe s ILE 1583Cb -0.14 -3.79 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1xwe s ILE 1583CO 0.01 0.42 -0.08 -0.75 0.00 0.00 0.00 174.94 174.55 1xwe s LYS 1584N -0.05 0.58 0.42 2.79 2.20 -0.70 -2.53 119.74 122.44 1xwe s LYS 1584Ca 0.25 -0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.43 1xwe s LYS 1584Cb -0.16 -0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 35.60 1xwe s LYS 1584CO 0.12 0.13 0.68 0.15 -0.36 0.00 0.00 175.35 176.07 1xwe s LYS 1585N -0.54 3.54 0.43 4.03 1.02 -1.26 -0.12 119.74 126.84 1xwe s LYS 1585Ca -0.00 0.01 0.21 0.00 0.02 0.00 0.00 55.97 56.21 1xwe s LYS 1585Cb -0.05 -2.50 0.94 0.00 -0.52 0.00 0.00 37.83 35.71 1xwe s LYS 1585CO 0.00 -0.04 1.86 -0.24 -0.92 0.00 0.00 175.35 176.01 1xwe h VAL 1586N 0.54 0.81 0.00 3.17 3.04 -1.67 -2.38 116.25 119.75 1xwe h VAL 1586Ca -0.48 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.08 1xwe h VAL 1586Cb 1.21 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 32.18 1xwe h VAL 1586CO 0.62 0.27 0.00 0.35 -1.01 0.00 0.00 177.57 177.80 1xwe n THR 1587N -3.64 0.76 -1.89 3.17 -2.24 -1.26 -4.72 114.28 104.45 1xwe n THR 1587Ca -0.01 0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.46 1xwe n THR 1587Cb 0.40 -0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 67.61 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 6.97 0.65 0.11 0.00 -1.04 -1.12 -4.57 114.28 115.28 1xwe n THR 1589Ca 0.23 -0.40 0.06 0.00 -2.04 0.00 0.00 64.05 61.90 1xwe n THR 1589Cb 0.45 -0.75 0.01 0.00 -1.82 0.00 0.00 70.33 68.22 1xwe n THR 1589CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xwe h ASN 1590N 0.00 0.00 -3.33 8.00 4.21 -1.75 -3.43 115.58 119.27 1xwe h ASN 1590Ca -0.26 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.58 1xwe h ASN 1590Cb 1.58 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 38.62 1xwe h ASN 1590CO 0.01 0.28 0.10 0.00 -1.29 0.00 0.00 177.43 176.53 1xwe s ALA 1591N -3.12 3.36 -0.03 -0.83 0.00 -1.18 -4.57 121.76 115.39 1xwe s ALA 1591Ca 0.01 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.45 1xwe s ALA 1591Cb 0.08 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 1xwe s ALA 1591CO 0.77 -1.98 -0.16 -2.00 0.00 0.00 0.00 175.76 172.39 1xwe s GLU 1592N 2.77 2.38 -0.05 0.00 2.12 -1.26 -4.94 118.70 119.73 1xwe s GLU 1592Ca 0.18 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 1xwe s GLU 1592Cb -0.17 -2.31 0.03 0.00 0.26 0.00 0.00 34.13 31.93 1xwe s GLU 1592CO 0.14 0.60 0.04 -0.51 -0.54 0.00 0.00 175.26 175.00 1xwe s LEU 1593N -0.89 0.28 -0.11 2.70 1.43 -1.26 -5.12 118.68 115.72 1xwe s LEU 1593Ca 0.12 0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 1xwe s LEU 1593Cb -0.11 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1xwe s LEU 1593CO 0.02 -0.23 0.05 -0.69 0.23 0.00 0.00 176.35 175.72 1xwe s VAL 1594N 2.11 4.75 -0.20 -1.59 1.01 -1.26 -5.08 120.40 120.15 1xwe s VAL 1594Ca 0.05 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1xwe s VAL 1594Cb -0.12 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1xwe s VAL 1594CO -0.04 0.59 1.05 -0.75 0.00 0.00 0.00 175.10 175.95 1xwe s LYS 1595N -0.79 4.29 0.00 2.72 2.20 -1.26 -3.22 119.74 123.69 1xwe s LYS 1595Ca 0.13 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 57.12 1xwe s LYS 1595Cb -0.12 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 1xwe s LYS 1595CO 0.03 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 1xwe n GLY 1596N 3.29 0.53 4.01 5.54 0.00 -0.30 -4.95 105.19 113.32 1xwe n GLY 1596Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.67 2.62 -0.09 1.61 0.52 -1.20 -4.89 118.95 116.86 1xwe s ARG 1597Ca 0.00 -1.31 -0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1xwe s ARG 1597Cb 0.00 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 1xwe s ARG 1597CO 0.00 -0.51 -0.06 -0.65 0.02 0.00 0.00 175.30 174.10 1xwe s GLN 1598N -4.50 2.94 -0.05 3.54 -0.21 -1.26 -2.40 119.66 117.73 1xwe s GLN 1598Ca 0.57 -0.53 -0.02 0.00 0.02 0.00 0.00 55.36 55.41 1xwe s GLN 1598Cb -0.09 -2.67 0.04 0.00 1.00 0.00 0.00 33.01 31.29 1xwe s GLN 1598CO 0.36 0.59 0.10 0.71 -2.12 0.00 0.00 175.29 174.93 1xwe s TYR 1599N -0.60 -0.09 0.23 0.91 2.02 -0.68 -1.67 117.35 117.46 1xwe s TYR 1599Ca 0.09 0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.85 1xwe s TYR 1599Cb -0.12 -0.15 -0.09 0.00 -0.40 0.00 0.00 41.96 41.21 1xwe s TYR 1599CO 0.02 -0.14 0.93 -1.17 -1.57 0.00 0.00 175.55 173.62 1xwe s LEU 1600N 1.15 4.64 -0.02 -1.29 0.20 -0.25 -2.10 118.68 121.01 1xwe s LEU 1600Ca -0.09 1.92 0.02 0.00 0.69 0.00 0.00 54.13 56.67 1xwe s LEU 1600Cb -0.12 -3.59 -0.00 0.00 -0.43 0.00 0.00 46.19 42.05 1xwe s LEU 1600CO -0.05 0.15 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.45 1xwe s ILE 1601N -1.10 0.69 -0.10 6.68 1.01 -0.68 -1.81 121.20 125.90 1xwe s ILE 1601Ca 0.41 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 1xwe s ILE 1601Cb -0.26 -0.60 0.05 0.00 0.01 0.00 0.00 42.46 41.66 1xwe s ILE 1601CO 0.31 0.21 0.13 -0.04 0.00 0.00 0.00 174.94 175.55 1xwe s MET 1602N 0.03 0.02 0.10 2.79 -1.94 -0.77 -2.16 119.30 117.38 1xwe s MET 1602Ca -0.00 0.39 -0.25 0.00 -1.71 0.00 0.00 55.69 54.12 1xwe s MET 1602Cb -0.06 -0.64 0.09 0.00 2.01 0.00 0.00 34.83 36.23 1xwe s MET 1602CO -0.00 -0.40 1.13 0.20 -0.01 0.00 0.00 175.02 175.94 1xwe s GLY 1603N 2.24 -0.08 1.39 -0.03 0.00 -0.97 -2.45 107.32 107.42 1xwe s GLY 1603Ca 0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 44.72 44.53 1xwe s GLY 1603CO -0.06 2.52 0.94 -1.59 0.00 0.00 0.00 173.10 174.91 1xwe s LYS 1604N -2.33 -2.68 1.15 2.90 0.00 -0.51 0.09 119.74 118.37 1xwe s LYS 1604Ca 0.21 0.22 -0.18 0.00 0.00 0.00 0.00 55.97 56.23 1xwe s LYS 1604Cb -0.01 -1.40 0.26 0.00 0.00 0.00 0.00 37.83 36.69 1xwe s LYS 1604CO 0.02 -4.73 1.12 -1.83 0.00 0.00 0.00 175.35 169.92 1xwe s GLU 1605N -5.00 -0.79 0.14 1.78 -1.05 -1.26 -4.50 118.70 108.02 1xwe s GLU 1605Ca 0.69 0.03 -0.01 0.00 -0.15 0.00 0.00 54.97 55.53 1xwe s GLU 1605Cb -0.15 -1.64 0.03 0.00 -0.44 0.00 0.00 34.13 31.93 1xwe s GLU 1605CO 0.59 -3.44 0.19 0.00 0.95 0.00 0.00 175.26 173.54 1xwe n ALA 1606N -4.59 -0.03 -3.53 -0.84 0.00 -1.26 -5.00 120.51 105.26 1xwe n ALA 1606Ca 0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 1xwe n ALA 1606Cb 0.59 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1xwe n ALA 1606CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xwe n LEU 1607N 0.00 0.00 -3.17 0.00 4.77 -1.23 -4.95 117.00 112.41 1xwe n LEU 1607Ca 0.03 -0.38 0.04 0.00 -0.03 0.00 0.00 56.01 55.67 1xwe n LEU 1607Cb 0.10 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1xwe n LEU 1607CO 0.07 -0.31 0.21 0.00 -1.33 0.00 0.00 177.39 176.04 1xwe s GLN 1608N -2.30 0.53 0.00 3.23 -2.07 -1.10 -3.48 119.66 114.46 1xwe s GLN 1608Ca 0.04 0.95 0.01 0.00 -1.82 0.00 0.00 55.36 54.55 1xwe s GLN 1608Cb -0.00 0.53 -0.01 0.00 -1.09 0.00 0.00 33.01 32.44 1xwe s GLN 1608CO 0.03 -0.56 0.13 1.51 -1.32 0.00 0.00 175.29 175.07 1xwe n ILE 1609N 5.43 0.00 -2.18 3.63 0.13 -1.24 -4.79 119.36 120.34 1xwe n ILE 1609Ca -0.02 -0.47 0.00 0.00 -1.10 0.00 0.00 62.75 61.16 1xwe n ILE 1609Cb 0.51 1.00 0.00 0.00 -0.84 0.00 0.00 39.64 40.32 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1xwe n LYS 1610N -0.87 -4.79 0.19 9.51 3.00 -1.26 -4.82 118.16 119.12 1xwe n LYS 1610Ca 0.00 3.51 0.00 0.00 -0.00 0.00 0.00 58.31 61.82 1xwe n LYS 1610Cb 0.02 -4.27 0.00 0.00 0.00 0.00 0.00 35.03 30.79 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 1.67 -3.72 0.00 5.64 9.36 -1.26 -4.84 117.16 124.02 1xwe n TYR 1611Ca 0.00 1.08 0.00 0.00 3.32 0.00 0.00 57.90 62.30 1xwe n TYR 1611Cb 0.00 2.44 0.00 0.00 -0.63 0.00 0.00 39.34 41.15 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 -3.45 0.00 0.03 2.98 3.02 -1.26 -5.00 115.26 111.57 1xwe n ASN 1612Ca 0.00 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 1xwe n ASN 1612Cb 0.00 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.14 1.83 -2.75 5.41 0.00 -1.26 -4.98 120.51 117.60 1xwe n ALA 1613Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1xwe n ALA 1613Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1xwe n ALA 1613CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xwe n SER 1614N -2.64 6.36 -1.41 0.00 7.64 -1.26 -5.00 113.62 117.31 1xwe n SER 1614Ca 0.00 -3.37 0.19 0.00 1.01 0.00 0.00 58.87 56.70 1xwe n SER 1614Cb 0.00 -1.31 -0.05 0.00 -1.01 0.00 0.00 64.21 61.84 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1xwe n PHE 1615N 1.70 -3.57 -3.93 1.43 3.01 -1.26 -4.70 117.46 110.14 1xwe n PHE 1615Ca 0.34 1.80 -0.32 0.00 1.01 0.00 0.00 57.45 60.27 1xwe n PHE 1615Cb 0.32 -3.24 -0.14 0.00 -0.01 0.00 0.00 39.48 36.42 1xwe n PHE 1615CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1xwe s ARG 1616N -2.49 1.75 -1.06 -1.08 1.81 -1.26 -4.50 118.95 112.12 1xwe s ARG 1616Ca 0.00 -2.02 -0.09 0.00 -1.72 0.00 0.00 55.73 51.90 1xwe s ARG 1616Cb 0.00 -3.35 0.27 0.00 -0.45 0.00 0.00 34.95 31.42 1xwe s ARG 1616CO 0.00 -1.01 1.04 0.71 -0.68 0.00 0.00 175.30 175.36 1xwe s TYR 1617N 0.72 4.18 0.26 -0.53 1.51 -1.23 -2.72 117.35 119.55 1xwe s TYR 1617Ca 0.12 -2.63 0.06 0.00 -1.01 0.00 0.00 57.07 53.61 1xwe s TYR 1617Cb -0.21 -3.79 -0.03 0.00 -0.11 0.00 0.00 41.96 37.82 1xwe s TYR 1617CO -0.06 -0.94 0.30 0.96 -1.11 0.00 0.00 175.55 174.70 1xwe s ILE 1618N -1.08 4.63 -0.17 2.71 -4.36 -1.26 -4.78 121.20 116.88 1xwe s ILE 1618Ca 0.29 -1.20 0.01 0.00 -0.26 0.00 0.00 60.65 59.48 1xwe s ILE 1618Cb -0.10 -3.56 0.02 0.00 1.25 0.00 0.00 42.46 40.08 1xwe s ILE 1618CO -0.08 -0.31 -0.17 -0.31 0.24 0.00 0.00 174.94 174.31 1xwe s TYR 1619N -2.10 2.55 0.38 1.37 1.51 -0.46 -3.58 117.35 117.02 1xwe s TYR 1619Ca 0.35 -1.50 -0.06 0.00 -1.01 0.00 0.00 57.07 54.84 1xwe s TYR 1619Cb -0.08 -1.79 0.09 0.00 -0.11 0.00 0.00 41.96 40.06 1xwe s TYR 1619CO 0.27 -0.76 0.47 -0.35 -1.11 0.00 0.00 175.55 174.07 1xwe n PRO 1620N 4.67 -0.75 -3.42 -1.71 -0.04 -1.26 -1.94 135.00 130.56 1xwe n PRO 1620Ca -0.19 -0.73 -0.22 0.00 -0.04 0.00 0.00 63.50 62.32 1xwe n PRO 1620Cb 0.50 -0.52 -0.10 0.00 -0.04 0.00 0.00 33.50 33.33 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 0.24 0.00 1.53 1.43 -1.05 -4.58 118.68 116.25 1xwe s LEU 1621Ca 0.27 -1.48 0.01 0.00 -1.03 0.00 0.00 54.13 51.90 1xwe s LEU 1621Cb -0.01 0.17 0.01 0.00 0.03 0.00 0.00 46.19 46.39 1xwe s LEU 1621CO 0.19 -0.33 0.08 0.47 0.23 0.00 0.00 176.35 177.00 1xwe n ASP 1622N 4.62 2.23 0.00 2.29 9.92 -1.26 -3.97 116.55 130.38 1xwe n ASP 1622Ca 0.05 -1.92 0.06 0.00 -0.53 0.00 0.00 54.79 52.45 1xwe n ASP 1622Cb 0.43 0.08 0.29 0.00 -0.64 0.00 0.00 41.12 41.28 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 -1.51 0.00 -0.18 -2.24 3.41 -1.15 -1.74 113.62 110.21 1xwe n SER 1623Ca -0.05 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 1xwe n SER 1623Cb 0.28 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.44 1.28 -4.61 1.04 -0.00 -1.26 -4.48 117.00 107.53 1xwe n LEU 1624Ca 0.04 -0.51 -0.43 0.00 -0.00 0.00 0.00 56.01 55.11 1xwe n LEU 1624Cb 0.14 -0.04 -0.02 0.00 -0.00 0.00 0.00 43.42 43.50 1xwe n LEU 1624CO 0.12 0.27 1.12 -0.89 -0.00 0.00 0.00 177.39 178.01 1xwe s THR 1625N -2.79 4.10 -0.22 1.47 2.01 -0.71 -4.90 115.64 114.60 1xwe s THR 1625Ca 0.13 1.16 -0.29 0.00 0.31 0.00 0.00 61.69 63.00 1xwe s THR 1625Cb 0.17 -4.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1xwe s THR 1625CO 0.72 -0.78 1.43 0.86 -0.69 0.00 0.00 174.62 176.17 1xwe s TRP 1626N 4.76 2.45 -0.24 4.92 -0.11 -1.02 -4.45 118.94 125.24 1xwe s TRP 1626Ca 0.54 0.73 -0.02 0.00 1.22 0.00 0.00 56.10 58.57 1xwe s TRP 1626Cb -0.12 -3.85 0.08 0.00 -1.50 0.00 0.00 33.47 28.08 1xwe s TRP 1626CO 0.29 -2.32 0.06 0.42 -4.62 0.00 0.00 176.95 170.79 1xwe s ILE 1627N 4.46 0.61 -0.22 5.86 1.01 -1.25 -1.84 121.20 129.83 1xwe s ILE 1627Ca 0.63 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 1xwe s ILE 1627Cb -0.22 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1xwe s ILE 1627CO 0.24 -0.41 0.02 -0.70 0.00 0.00 0.00 174.94 174.09 1xwe s GLU 1628N 1.79 3.60 0.05 2.79 2.56 -0.75 -2.21 118.70 126.52 1xwe s GLU 1628Ca 0.03 -0.52 -0.32 0.00 0.00 0.00 0.00 54.97 54.16 1xwe s GLU 1628Cb -0.17 -3.16 -0.11 0.00 2.00 0.00 0.00 34.13 32.69 1xwe s GLU 1628CO -0.17 -0.09 1.86 0.98 -0.56 0.00 0.00 175.26 177.28 1xwe n TYR 1629N 4.58 2.48 -3.24 5.30 9.36 -1.26 -1.09 117.16 133.29 1xwe n TYR 1629Ca -0.17 -0.13 -0.44 0.00 3.32 0.00 0.00 57.90 60.48 1xwe n TYR 1629Cb 0.51 -2.71 -0.06 0.00 -0.63 0.00 0.00 39.34 36.45 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 3.38 3.12 -0.82 2.98 -0.11 -0.67 -4.90 118.94 121.91 1xwe s TRP 1630Ca 0.87 -0.77 -0.28 0.00 1.22 0.00 0.00 56.10 57.13 1xwe s TRP 1630Cb -0.55 -3.50 -0.17 0.00 -1.50 0.00 0.00 33.47 27.75 1xwe s TRP 1630CO 0.43 -0.99 2.58 -2.30 -4.62 0.00 0.00 176.95 172.04 1xwe n PRO 1631N 5.81 0.36 -0.26 5.86 -0.02 -1.26 -4.29 135.00 141.20 1xwe n PRO 1631Ca -0.09 -0.02 -0.02 0.00 -2.02 0.00 0.00 63.50 61.34 1xwe n PRO 1631Cb 0.44 -2.19 0.16 0.00 -0.02 0.00 0.00 33.50 31.89 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 14.58 1.10 -6.08 -0.52 1.12 -1.94 -3.41 114.38 119.24 1xwe h ARG 1632Ca -0.11 -0.12 -0.57 0.00 -1.11 0.00 0.00 59.98 58.07 1xwe h ARG 1632Cb 1.28 -0.22 -0.05 0.00 -0.01 0.00 0.00 29.97 30.97 1xwe h ARG 1632CO 1.31 0.80 -0.01 -0.51 -3.11 0.00 0.00 179.97 178.46 1xwe s ASP 1633N -6.33 6.98 0.00 -3.80 1.11 -1.26 -4.92 116.67 108.44 1xwe s ASP 1633Ca -0.12 1.16 0.00 0.00 0.18 0.00 0.00 52.55 53.78 1xwe s ASP 1633Cb 0.17 -2.37 0.00 0.00 1.07 0.00 0.00 42.92 41.79 1xwe s ASP 1633CO 0.81 0.09 0.21 0.35 1.18 0.00 0.00 175.17 177.81 1xwe n THR 1634N 2.80 0.02 -1.80 -1.27 -2.24 -1.26 -4.28 114.28 106.25 1xwe n THR 1634Ca -0.06 -0.04 0.02 0.00 -2.27 0.00 0.00 64.05 61.69 1xwe n THR 1634Cb 0.51 1.58 0.02 0.00 -2.10 0.00 0.00 70.33 70.34 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 -0.01 0.30 -0.07 4.28 -2.24 -1.26 -4.62 114.28 110.66 1xwe n THR 1635Ca 0.00 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1xwe n THR 1635Cb 0.33 0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.91 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 -3.49 0.13 -0.58 0.00 3.41 -1.26 -5.01 113.62 106.82 1xwe n SER 1637Ca -0.28 -0.34 0.01 0.00 -0.26 0.00 0.00 58.87 57.99 1xwe n SER 1637Cb 0.72 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.70 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xwe n SER 1638N -0.97 1.30 -0.05 4.04 2.88 -1.26 -3.78 113.62 115.77 1xwe n SER 1638Ca 0.00 -2.06 0.14 0.00 -1.33 0.00 0.00 58.87 55.62 1xwe n SER 1638Cb 0.00 -0.49 0.81 0.00 -0.75 0.00 0.00 64.21 63.78 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe n GLN 1640N -0.82 1.55 0.03 0.00 10.64 -1.25 -3.68 117.38 123.85 1xwe n GLN 1640Ca 0.21 -0.83 -0.07 0.00 -1.83 0.00 0.00 57.00 54.49 1xwe n GLN 1640Cb 0.13 -1.36 -0.12 0.00 -0.86 0.00 0.00 30.24 28.03 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 3.91 0.55 0.00 2.61 0.00 -1.89 -3.30 119.26 121.14 1xwe h ALA 1641Ca 0.00 -1.09 -0.07 0.00 0.00 0.00 0.00 54.91 53.75 1xwe h ALA 1641Cb 0.36 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xwe h ALA 1641CO 0.00 1.32 -0.34 0.35 0.00 0.00 0.00 179.25 180.58 1xwe h PHE 1642N 0.00 0.00 0.00 0.00 3.57 -1.83 -2.60 116.94 116.08 1xwe h PHE 1642Ca -0.12 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 1xwe h PHE 1642Cb 1.83 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.56 1xwe h PHE 1642CO 0.00 0.34 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.91 1xwe h LEU 1643N 0.00 0.00 -1.70 0.59 -0.00 -1.77 -2.85 115.31 109.58 1xwe h LEU 1643Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1xwe h LEU 1643Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 1xwe h LEU 1643CO 0.04 0.44 0.16 0.00 -0.00 0.00 0.00 178.44 179.08 1xwe h ALA 1644N 1.56 1.78 0.00 1.53 0.00 -1.59 0.27 119.26 122.81 1xwe h ALA 1644Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xwe h ALA 1644Cb 0.83 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1xwe h ALA 1644CO 0.06 0.20 -0.01 0.09 0.00 0.00 0.00 179.25 179.58 1xwe n ASN 1645N -4.48 0.77 0.04 0.00 4.13 -1.08 -3.25 115.26 111.39 1xwe n ASN 1645Ca 0.01 0.56 -0.01 0.00 1.68 0.00 0.00 54.58 56.83 1xwe n ASN 1645Cb 0.08 -0.76 -0.08 0.00 -1.54 0.00 0.00 39.78 37.49 1xwe n ASN 1645CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1xwe h LEU 1646N 0.00 0.00 -0.85 3.41 3.38 -0.99 -3.34 115.31 116.92 1xwe h LEU 1646Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xwe h LEU 1646Cb 0.72 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1xwe h LEU 1646CO 0.00 0.62 0.48 0.44 0.09 0.00 0.00 178.44 180.07 1xwe h ASP 1647N 0.00 1.05 0.20 -0.43 3.32 -1.30 0.34 116.42 119.60 1xwe h ASP 1647Ca -0.15 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1xwe h ASP 1647Cb 1.61 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1xwe h ASP 1647CO 0.05 0.83 -0.29 -0.08 -1.72 0.00 0.00 179.24 178.03 1xwe h GLU 1648N 1.18 0.15 0.00 3.56 4.81 -1.70 -2.50 114.58 120.08 1xwe h GLU 1648Ca 0.30 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 1xwe h GLU 1648Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1xwe h GLU 1648CO -0.05 0.44 -0.52 0.35 -0.73 0.00 0.00 179.01 178.50 1xwe h PHE 1649N 0.14 0.00 0.32 0.92 3.57 -1.49 -3.11 116.94 117.28 1xwe h PHE 1649Ca 0.02 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1649Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1xwe h PHE 1649CO 0.01 0.52 -0.15 0.00 -2.23 0.00 0.00 178.31 176.46 1xwe h ALA 1650N 1.48 -1.10 0.00 2.41 0.00 -0.48 -2.49 119.26 119.08 1xwe h ALA 1650Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xwe h ALA 1650Cb 1.39 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1xwe h ALA 1650CO 0.07 -1.07 0.00 -1.91 0.00 0.00 0.00 179.25 176.34 1xwe n GLU 1651N -3.15 0.27 0.00 0.00 2.13 -1.20 -2.37 120.64 116.32 1xwe n GLU 1651Ca -0.05 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1xwe n GLU 1651Cb 0.17 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 -1.21 0.00 0.26 4.31 -0.08 -1.05 -2.56 116.55 116.21 1xwe n ASP 1652Ca 0.08 0.31 0.09 0.00 -1.51 0.00 0.00 54.79 53.76 1xwe n ASP 1652Cb 0.10 -0.30 0.66 0.00 2.34 0.00 0.00 41.12 43.92 1xwe n ASP 1652CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1xwe h ILE 1653N 0.00 0.94 -0.31 5.18 6.09 -1.53 0.47 117.51 128.34 1xwe h ILE 1653Ca 0.00 -0.13 -0.18 0.00 -1.37 0.00 0.00 64.86 63.19 1xwe h ILE 1653Cb 0.00 1.07 -0.00 0.00 0.47 0.00 0.00 36.82 38.36 1xwe h ILE 1653CO 0.00 0.04 -0.50 0.15 -3.07 0.00 0.00 178.15 174.76 1xwe h PHE 1654N 0.00 1.08 0.00 2.19 3.57 -1.63 -3.14 116.94 119.01 1xwe h PHE 1654Ca -0.00 -0.37 0.00 0.00 3.53 0.00 0.00 57.97 61.13 1xwe h PHE 1654Cb 0.07 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1xwe h PHE 1654CO 0.00 1.19 0.00 -0.11 -2.23 0.00 0.00 178.31 177.16 1xwe n LEU 1655N -4.02 0.00 -1.02 0.59 -0.00 -0.84 -4.67 117.00 107.04 1xwe n LEU 1655Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.96 1xwe n LEU 1655Cb 0.60 -0.18 0.02 0.00 -0.00 0.00 0.00 43.42 43.86 1xwe n LEU 1655CO 0.50 -0.25 0.52 -0.46 -0.00 0.00 0.00 177.39 177.70 1xwe n ASN 1656N -1.93 2.78 -4.68 1.96 0.23 0.11 -4.93 115.26 108.81 1xwe n ASN 1656Ca 0.00 -2.13 -0.32 0.00 -0.53 0.00 0.00 54.58 51.60 1xwe n ASN 1656Cb 0.00 -0.53 0.15 0.00 -2.08 0.00 0.00 39.78 37.33 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xwe n GLY 1657N 0.31 -0.23 0.00 4.83 0.00 0.12 -4.71 105.19 105.51 1xwe n GLY 1657Ca 0.05 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32