#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 -0.04 -3.63 1.61 3.41 -1.26 -5.14 113.62 108.58 1xwe n SER 1509Ca 0.00 0.42 -0.13 0.00 -0.26 0.00 0.00 58.87 58.90 1xwe n SER 1509Cb 0.00 0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.19 1xwe n SER 1509CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1xwe s HIS 1510N -1.91 -0.80 -0.01 7.33 0.00 -1.26 -5.17 115.29 113.48 1xwe s HIS 1510Ca 0.00 1.91 0.00 0.00 -3.00 0.00 0.00 55.06 53.97 1xwe s HIS 1510Cb 0.00 0.31 0.01 0.00 -4.00 0.00 0.00 32.58 28.90 1xwe s HIS 1510CO 0.00 -0.38 0.01 -1.64 -1.00 0.00 0.00 174.74 171.72 1xwe s MET 1511N 0.48 0.00 -0.23 -0.38 1.00 -1.26 -5.13 119.30 113.79 1xwe s MET 1511Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 55.69 55.72 1xwe s MET 1511Cb -0.05 -0.11 0.11 0.00 0.00 0.00 0.00 34.83 34.79 1xwe s MET 1511CO -0.01 -0.06 0.29 0.00 0.00 0.00 0.00 175.02 175.24 1xwe s ALA 1512N 0.40 -0.62 -0.25 3.03 0.00 -1.26 -5.11 121.76 117.95 1xwe s ALA 1512Ca -0.03 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 1xwe s ALA 1512Cb -0.05 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 1xwe s ALA 1512CO -0.01 -1.30 0.00 0.16 0.00 0.00 0.00 175.76 174.61 1xwe s ASP 1513N 2.42 4.63 0.00 0.00 -4.77 -1.26 -0.96 116.67 116.73 1xwe s ASP 1513Ca 0.09 -0.50 0.00 0.00 -3.30 0.00 0.00 52.55 48.84 1xwe s ASP 1513Cb -0.15 -1.79 0.00 0.00 -1.09 0.00 0.00 42.92 39.88 1xwe s ASP 1513CO -0.16 -0.08 0.00 0.00 0.70 0.00 0.00 175.17 175.63 1xwe n GLY 1515N 2.56 -0.85 1.84 0.00 0.00 -1.20 -2.08 105.19 105.46 1xwe n GLY 1515Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -4.05 -3.58 -3.82 1.61 7.27 -1.26 -4.47 117.38 109.07 1xwe n GLN 1516Ca 0.39 2.75 -0.28 0.00 0.07 0.00 0.00 57.00 59.93 1xwe n GLN 1516Cb 1.68 -3.26 -0.03 0.00 2.41 0.00 0.00 30.24 31.04 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1xwe s MET 1517N -1.14 3.49 0.43 3.69 -1.94 -1.26 -4.44 119.30 118.13 1xwe s MET 1517Ca 0.00 -0.43 0.07 0.00 -1.71 0.00 0.00 55.69 53.62 1xwe s MET 1517Cb 0.00 -2.92 0.07 0.00 2.01 0.00 0.00 34.83 33.99 1xwe s MET 1517CO 0.00 0.49 0.57 0.00 -0.01 0.00 0.00 175.02 176.07 1xwe n GLN 1518N -0.38 0.72 -1.69 2.03 10.64 -1.26 -5.02 117.38 122.42 1xwe n GLN 1518Ca -0.05 -2.35 -0.30 0.00 -1.83 0.00 0.00 57.00 52.46 1xwe n GLN 1518Cb 0.53 -0.14 0.07 0.00 -0.86 0.00 0.00 30.24 29.84 1xwe n GLN 1518CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1xwe s GLU 1519N -3.94 2.42 -0.13 2.61 0.41 -1.26 -4.88 118.70 113.93 1xwe s GLU 1519Ca 0.43 0.57 -0.21 0.00 -0.41 0.00 0.00 54.97 55.35 1xwe s GLU 1519Cb -0.03 -1.96 -0.03 0.00 -1.78 0.00 0.00 34.13 30.32 1xwe s GLU 1519CO 0.28 -1.37 0.62 -1.21 -0.49 0.00 0.00 175.26 173.09 1xwe s GLU 1520N -5.24 4.33 -0.31 1.61 2.02 -1.26 -4.55 118.70 115.31 1xwe s GLU 1520Ca 0.60 0.68 -0.08 0.00 0.02 0.00 0.00 54.97 56.19 1xwe s GLU 1520Cb -0.13 -3.49 0.01 0.00 0.10 0.00 0.00 34.13 30.62 1xwe s GLU 1520CO 0.53 -0.03 0.23 1.28 0.02 0.00 0.00 175.26 177.29 1xwe n LEU 1521N 4.25 -6.78 -4.06 1.80 4.77 -1.26 -4.98 117.00 110.73 1xwe n LEU 1521Ca -0.03 0.88 -0.33 0.00 -0.03 0.00 0.00 56.01 56.51 1xwe n LEU 1521Cb 0.51 -2.92 -0.14 0.00 -2.33 0.00 0.00 43.42 38.54 1xwe n LEU 1521CO 0.45 -2.41 -0.28 -0.62 -1.33 0.00 0.00 177.39 173.21 1xwe s ASP 1522N -1.78 4.93 -0.90 -1.43 2.15 -1.26 -5.05 116.67 113.33 1xwe s ASP 1522Ca 0.10 -2.08 -0.19 0.00 0.43 0.00 0.00 52.55 50.82 1xwe s ASP 1522Cb -0.02 -1.70 0.12 0.00 -0.30 0.00 0.00 42.92 41.02 1xwe s ASP 1522CO 0.66 -0.43 1.10 -0.76 -0.17 0.00 0.00 175.17 175.58 1xwe s LEU 1523N 1.00 4.99 0.00 -1.34 1.43 -1.26 -4.02 118.68 119.48 1xwe s LEU 1523Ca 0.09 -1.93 0.00 0.00 -1.03 0.00 0.00 54.13 51.27 1xwe s LEU 1523Cb -0.20 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1xwe s LEU 1523CO -0.06 -1.10 0.00 1.07 0.23 0.00 0.00 176.35 176.48 1xwe n THR 1524N 5.54 0.00 -2.72 5.49 5.66 -1.26 -5.10 114.28 121.89 1xwe n THR 1524Ca 0.20 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.78 1xwe n THR 1524Cb 0.49 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.05 4.30 0.74 1.09 1.01 -1.26 -5.02 121.20 122.02 1xwe s ILE 1525Ca 0.00 0.83 -0.15 0.00 0.00 0.00 0.00 60.65 61.33 1xwe s ILE 1525Cb 0.00 -4.55 0.05 0.00 0.01 0.00 0.00 42.46 37.96 1xwe s ILE 1525CO 0.00 -1.03 1.23 -0.44 0.00 0.00 0.00 174.94 174.70 1xwe s SER 1526N 2.54 4.03 0.03 3.58 0.01 -1.26 -4.88 113.70 117.76 1xwe s SER 1526Ca 0.40 2.42 0.14 0.00 1.31 0.00 0.00 55.95 60.23 1xwe s SER 1526Cb -0.09 -2.60 0.62 0.00 0.21 0.00 0.00 66.02 64.16 1xwe s SER 1526CO 0.27 -2.37 1.46 0.00 0.41 0.00 0.00 173.24 173.00 1xwe n ALA 1527N -2.77 1.62 -0.01 1.44 0.00 -1.26 -2.49 120.51 117.03 1xwe n ALA 1527Ca 0.14 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 1xwe n ALA 1527Cb 0.50 -1.24 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.58 0.71 0.22 0.00 1.02 -1.26 -3.45 120.64 116.30 1xwe n GLU 1528Ca 0.03 0.27 -0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1xwe n GLU 1528Cb 0.16 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 29.78 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 0.04 0.48 0.00 2.62 2.02 -1.85 -0.99 112.91 115.23 1xwe h THR 1529Ca -0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1xwe h THR 1529Cb 2.03 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1xwe h THR 1529CO 0.08 0.00 0.00 -2.11 0.37 0.00 0.00 175.52 173.86 1xwe n ARG 1530N -5.38 0.07 0.04 6.66 1.85 -1.22 -2.41 116.66 116.27 1xwe n ARG 1530Ca -0.10 0.29 -0.08 0.00 -1.00 0.00 0.00 57.85 56.96 1xwe n ARG 1530Cb 0.28 -1.63 -0.13 0.00 -1.05 0.00 0.00 32.46 29.94 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 0.03 0.00 2.89 1.63 -1.32 -3.25 116.57 116.55 1xwe h LYS 1531Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1xwe h LYS 1531Cb 0.32 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 1xwe h LYS 1531CO 0.00 0.86 0.00 1.96 -3.45 0.00 0.00 179.45 178.83 1xwe h GLN 1532N 0.01 0.00 0.00 1.90 1.08 -0.86 0.60 115.11 117.84 1xwe h GLN 1532Ca -0.11 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.85 1xwe h GLN 1532Cb 1.87 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.26 1xwe h GLN 1532CO 0.12 0.00 -1.34 1.15 -0.95 0.00 0.00 178.83 177.80 1xwe h THR 1533N 0.00 1.10 -0.78 -0.54 2.02 -1.70 -3.09 112.91 109.93 1xwe h THR 1533Ca 0.00 -2.83 -0.00 0.00 0.77 0.00 0.00 66.41 64.34 1xwe h THR 1533Cb 0.01 2.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.90 1xwe h THR 1533CO 0.00 0.63 0.46 0.00 0.37 0.00 0.00 175.52 176.98 1xwe h ALA 1534N 1.09 1.36 -0.63 6.16 0.00 -0.99 -1.85 119.26 124.39 1xwe h ALA 1534Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xwe h ALA 1534Cb 1.84 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1xwe h ALA 1534CO 0.09 0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.89 1xwe s LYS 1536N -1.15 4.35 0.15 0.00 2.20 -0.70 -4.94 119.74 119.65 1xwe s LYS 1536Ca 0.46 2.14 -0.22 0.00 -0.36 0.00 0.00 55.97 57.99 1xwe s LYS 1536Cb 0.25 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1xwe s LYS 1536CO 0.33 -0.28 1.63 -1.35 -0.36 0.00 0.00 175.35 175.32 1xwe h PRO 1537N 4.99 -0.23 0.00 4.03 0.11 -1.91 0.35 132.00 139.34 1xwe h PRO 1537Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xwe h PRO 1537Cb 1.22 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1xwe h PRO 1537CO 0.76 -0.15 0.03 1.05 -0.21 0.00 0.00 178.00 179.48 1xwe h GLU 1538N -0.24 0.00 -5.97 1.05 4.11 -1.94 -3.41 114.58 108.18 1xwe h GLU 1538Ca 0.14 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.95 1xwe h GLU 1538Cb 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1xwe h GLU 1538CO -0.39 0.00 -0.30 0.42 0.07 0.00 0.00 179.01 178.81 1xwe s ILE 1539N -3.76 5.18 0.01 -1.06 -1.09 0.11 -3.10 121.20 117.51 1xwe s ILE 1539Ca -0.03 0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1xwe s ILE 1539Cb 0.08 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.35 1xwe s ILE 1539CO 0.26 0.43 -0.04 0.00 -1.23 0.00 0.00 174.94 174.36 1xwe n ALA 1540N 1.34 2.35 -2.95 9.38 0.00 -0.12 -4.73 120.51 125.79 1xwe n ALA 1540Ca -0.12 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 1xwe n ALA 1540Cb 0.53 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -1.58 3.46 -0.43 0.00 -0.85 -0.59 -4.68 117.35 112.69 1xwe s TYR 1541Ca -0.03 0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.60 1xwe s TYR 1541Cb 0.00 -1.61 0.17 0.00 0.38 0.00 0.00 41.96 40.91 1xwe s TYR 1541CO 0.05 0.45 0.48 0.00 -1.52 0.00 0.00 175.55 175.01 1xwe s ALA 1542N -1.92 -0.48 0.26 9.51 0.00 -0.88 -1.78 121.76 126.47 1xwe s ALA 1542Ca 0.34 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1xwe s ALA 1542Cb -0.10 -2.15 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 1xwe s ALA 1542CO 0.29 -2.13 0.10 1.52 0.00 0.00 0.00 175.76 175.54 1xwe s TYR 1543N 0.89 1.52 0.03 0.00 -0.85 -0.36 -1.52 117.35 117.06 1xwe s TYR 1543Ca 0.25 -1.19 0.06 0.00 -0.52 0.00 0.00 57.07 55.67 1xwe s TYR 1543Cb -0.05 -0.88 -0.03 0.00 0.38 0.00 0.00 41.96 41.38 1xwe s TYR 1543CO -0.08 -0.35 -0.15 -1.59 -1.52 0.00 0.00 175.55 171.85 1xwe s LYS 1544N -4.04 2.20 0.26 -3.49 -2.85 -0.55 -1.03 119.74 110.24 1xwe s LYS 1544Ca 0.38 -0.91 0.05 0.00 -1.00 0.00 0.00 55.97 54.49 1xwe s LYS 1544Cb 0.08 -2.27 -0.02 0.00 -2.06 0.00 0.00 37.83 33.56 1xwe s LYS 1544CO 0.14 0.56 0.19 1.33 0.10 0.00 0.00 175.35 177.66 1xwe n VAL 1545N 1.59 0.00 -3.73 1.79 0.24 -0.94 -0.43 118.33 116.84 1xwe n VAL 1545Ca -0.16 -1.83 -0.14 0.00 -2.04 0.00 0.00 64.34 60.17 1xwe n VAL 1545Cb 0.52 0.86 -0.15 0.00 -1.47 0.00 0.00 33.84 33.61 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 -2.79 0.04 0.24 -1.34 0.15 -0.51 -1.82 113.70 107.67 1xwe s SER 1546Ca 0.27 0.32 -0.31 0.00 0.70 0.00 0.00 55.95 56.92 1xwe s SER 1546Cb 0.01 0.22 -0.13 0.00 -1.71 0.00 0.00 66.02 64.41 1xwe s SER 1546CO 0.19 -0.17 1.56 -0.38 1.20 0.00 0.00 173.24 175.64 1xwe n ILE 1547N 4.42 0.66 -0.02 6.45 2.08 -0.89 -1.87 119.36 130.20 1xwe n ILE 1547Ca -0.22 -0.16 -0.02 0.00 0.56 0.00 0.00 62.75 62.90 1xwe n ILE 1547Cb 0.51 -1.76 -0.03 0.00 -0.75 0.00 0.00 39.64 37.62 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 2.60 0.27 -3.66 1.39 -2.24 -0.61 -2.59 114.28 109.44 1xwe n THR 1548Ca 0.12 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 1xwe n THR 1548Cb 0.34 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.65 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 -3.73 -0.42 -0.27 3.42 0.01 -0.61 -4.87 113.70 107.23 1xwe s SER 1549Ca -0.03 0.47 -0.00 0.00 1.31 0.00 0.00 55.95 57.70 1xwe s SER 1549Cb 0.01 0.52 0.05 0.00 0.21 0.00 0.00 66.02 66.81 1xwe s SER 1549CO 0.14 -0.46 -0.06 -0.63 0.41 0.00 0.00 173.24 172.64 1xwe s ILE 1550N -1.01 2.65 -0.08 1.44 1.01 -1.26 -1.47 121.20 122.48 1xwe s ILE 1550Ca -0.10 -1.36 -0.17 0.00 0.00 0.00 0.00 60.65 59.02 1xwe s ILE 1550Cb -0.03 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 1xwe s ILE 1550CO 0.06 0.02 0.45 -0.89 0.00 0.00 0.00 174.94 174.58 1xwe s THR 1551N 1.22 5.13 -0.06 2.92 2.01 -0.65 -5.01 115.64 121.20 1xwe s THR 1551Ca -0.05 0.90 -0.07 0.00 0.31 0.00 0.00 61.69 62.78 1xwe s THR 1551Cb -0.19 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.56 1xwe s THR 1551CO -0.04 0.41 0.20 0.54 -0.69 0.00 0.00 174.62 175.04 1xwe s VAL 1552N 0.08 0.02 0.00 3.82 0.11 -1.26 -1.48 120.40 121.68 1xwe s VAL 1552Ca 0.25 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1xwe s VAL 1552Cb -0.16 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1xwe s VAL 1552CO 0.11 -0.08 0.00 -0.62 -3.33 0.00 0.00 175.10 171.18 1xwe n GLU 1553N 2.61 0.00 0.07 1.54 1.02 -1.25 -5.07 120.64 119.56 1xwe n GLU 1553Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1xwe n GLU 1553Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 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 -1.77 -0.58 -0.10 1.62 4.13 -1.26 -5.02 115.26 112.27 1xwe n ASN 1554Ca 0.00 0.24 -0.20 0.00 1.68 0.00 0.00 54.58 56.30 1xwe n ASN 1554Cb 0.00 0.70 -0.07 0.00 -1.54 0.00 0.00 39.78 38.87 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1xwe n VAL 1555N -2.87 1.26 -2.40 2.41 0.31 -1.26 -5.00 118.33 110.79 1xwe n VAL 1555Ca 0.00 -0.20 -0.36 0.00 -0.01 0.00 0.00 64.34 63.77 1xwe n VAL 1555Cb 0.00 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.02 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 -2.47 3.01 0.05 3.52 0.40 -1.26 -3.35 117.98 117.87 1xwe s PHE 1556Ca -0.29 1.58 0.05 0.00 -0.60 0.00 0.00 56.93 57.67 1xwe s PHE 1556Cb 0.10 -3.24 -0.02 0.00 0.51 0.00 0.00 43.02 40.37 1xwe s PHE 1556CO 0.38 -1.11 -0.15 0.08 0.70 0.00 0.00 175.22 175.12 1xwe s VAL 1557N -1.67 1.20 0.05 -0.44 1.01 -0.94 -3.80 120.40 115.81 1xwe s VAL 1557Ca 0.63 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1xwe s VAL 1557Cb -0.24 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 1xwe s VAL 1557CO 0.29 -0.01 -0.05 -0.54 0.00 0.00 0.00 175.10 174.79 1xwe s LYS 1558N -1.27 0.59 -0.24 2.72 1.02 -0.55 0.13 119.74 122.14 1xwe s LYS 1558Ca 0.02 -1.01 -0.04 0.00 0.02 0.00 0.00 55.97 54.96 1xwe s LYS 1558Cb -0.08 -0.04 0.10 0.00 -0.52 0.00 0.00 37.83 37.28 1xwe s LYS 1558CO 0.02 -0.03 0.18 0.71 -0.92 0.00 0.00 175.35 175.30 1xwe s TYR 1559N -2.72 -0.03 -0.11 3.18 2.02 0.49 -1.64 117.35 118.54 1xwe s TYR 1559Ca -0.01 -0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.18 1xwe s TYR 1559Cb -0.01 -0.62 -0.04 0.00 -0.40 0.00 0.00 41.96 40.90 1xwe s TYR 1559CO -0.04 -0.71 0.58 0.15 -1.57 0.00 0.00 175.55 173.96 1xwe s LYS 1560N 2.22 4.36 0.04 -0.62 1.02 -0.54 -1.49 119.74 124.74 1xwe s LYS 1560Ca 0.07 0.64 -0.02 0.00 0.02 0.00 0.00 55.97 56.67 1xwe s LYS 1560Cb -0.16 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 1xwe s LYS 1560CO -0.23 0.07 0.01 0.00 -0.92 0.00 0.00 175.35 174.28 1xwe s ALA 1561N 0.86 0.25 -0.05 5.17 0.00 -1.00 -1.57 121.76 125.42 1xwe s ALA 1561Ca 0.31 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 1xwe s ALA 1561Cb -0.16 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1xwe s ALA 1561CO 0.13 -0.32 0.26 0.99 0.00 0.00 0.00 175.76 176.83 1xwe s THR 1562N -3.07 5.30 -0.02 0.00 2.01 -0.78 -3.23 115.64 115.85 1xwe s THR 1562Ca -0.01 0.44 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1xwe s THR 1562Cb 0.02 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1xwe s THR 1562CO -0.07 0.56 1.23 -0.22 -0.69 0.00 0.00 174.62 175.43 1xwe s LEU 1563N -1.17 4.31 -0.11 4.42 0.20 -0.97 -1.42 118.68 123.93 1xwe s LEU 1563Ca 0.20 1.91 -0.20 0.00 0.69 0.00 0.00 54.13 56.73 1xwe s LEU 1563Cb -0.14 -3.56 -0.27 0.00 -0.43 0.00 0.00 46.19 41.79 1xwe s LEU 1563CO 0.09 -0.57 0.61 -0.07 -0.29 0.00 0.00 176.35 176.12 1xwe h LEU 1564N 7.86 0.27 -7.00 -0.68 4.07 -1.06 -2.86 115.31 115.91 1xwe h LEU 1564Ca -0.37 -0.85 0.07 0.00 0.08 0.00 0.00 57.88 56.82 1xwe h LEU 1564Cb 1.18 -0.09 -0.24 0.00 1.08 0.00 0.00 40.66 42.58 1xwe h LEU 1564CO 0.87 1.44 0.51 -0.62 -1.08 0.00 0.00 178.44 179.56 1xwe s ASP 1565N -6.85 -0.40 -0.25 -0.43 2.15 -1.00 -4.50 116.67 105.39 1xwe s ASP 1565Ca -0.20 0.59 -0.08 0.00 0.43 0.00 0.00 52.55 53.30 1xwe s ASP 1565Cb 0.03 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.16 1xwe s ASP 1565CO 0.74 -0.26 0.08 -0.63 -0.17 0.00 0.00 175.17 174.93 1xwe s ILE 1566N -0.54 4.36 -0.27 4.11 1.01 -1.26 -1.49 121.20 127.12 1xwe s ILE 1566Ca 0.00 -0.18 0.23 0.00 0.00 0.00 0.00 60.65 60.70 1xwe s ILE 1566Cb -0.02 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.34 1xwe s ILE 1566CO -0.02 0.32 0.98 -1.22 0.00 0.00 0.00 174.94 175.00 1xwe n TYR 1567N 4.93 0.74 -3.45 3.97 4.01 -0.57 -4.79 117.16 121.99 1xwe n TYR 1567Ca -0.16 0.21 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 1xwe n TYR 1567Cb 0.51 -0.83 -0.10 0.00 -0.31 0.00 0.00 39.34 38.62 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1xwe s LYS 1568N -3.36 0.29 0.35 -0.72 2.20 -0.76 -4.62 119.74 113.11 1xwe s LYS 1568Ca -0.01 0.54 -0.24 0.00 -0.36 0.00 0.00 55.97 55.90 1xwe s LYS 1568Cb 0.11 -0.51 -0.14 0.00 -1.51 0.00 0.00 37.83 35.78 1xwe s LYS 1568CO 0.80 -0.56 0.58 2.41 -0.36 0.00 0.00 175.35 178.22 1xwe n THR 1569N 5.36 1.74 -4.01 3.43 -1.04 -1.26 -2.06 114.28 116.43 1xwe n THR 1569Ca -0.05 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.10 1xwe n THR 1569Cb 0.50 -0.46 -0.08 0.00 -1.82 0.00 0.00 70.33 68.47 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 2.03 0.67 3.41 0.00 -1.26 -4.19 107.32 107.09 1xwe s GLY 1570Ca 0.62 -0.70 0.39 0.00 0.00 0.00 0.00 44.72 45.03 1xwe s GLY 1570CO 0.59 -0.30 2.21 0.83 0.00 0.00 0.00 173.10 176.43 1xwe h GLU 1571N 5.49 0.00 -2.21 2.90 4.39 -1.93 -2.37 114.58 120.85 1xwe h GLU 1571Ca -0.49 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.61 1xwe h GLU 1571Cb 1.20 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.69 1xwe h GLU 1571CO 0.61 0.00 1.11 0.00 -1.16 0.00 0.00 179.01 179.57 1xwe n ALA 1572N -2.01 6.57 -4.45 3.43 0.00 -1.26 -4.77 120.51 118.02 1xwe n ALA 1572Ca -0.03 -3.49 -0.40 0.00 0.00 0.00 0.00 53.44 49.53 1xwe n ALA 1572Cb 0.18 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.21 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 1.07 -0.39 -1.83 0.00 3.14 -1.00 -4.82 118.33 114.49 1xwe n VAL 1573Ca 0.54 -0.07 -0.42 0.00 -2.96 0.00 0.00 64.34 61.42 1xwe n VAL 1573Cb 0.43 -0.84 -0.03 0.00 -1.06 0.00 0.00 33.84 32.33 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 -3.41 3.85 0.01 1.55 0.00 -0.93 -4.97 121.76 117.87 1xwe s ALA 1574Ca 0.70 1.47 0.03 0.00 0.00 0.00 0.00 51.96 54.17 1xwe s ALA 1574Cb -0.41 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.03 1xwe s ALA 1574CO 1.00 -0.88 -0.10 -1.21 0.00 0.00 0.00 175.76 174.57 1xwe s GLU 1575N 1.30 0.73 -0.03 0.00 2.02 -1.26 -4.36 118.70 117.09 1xwe s GLU 1575Ca 0.73 -0.51 -0.34 0.00 0.02 0.00 0.00 54.97 54.87 1xwe s GLU 1575Cb -0.46 -0.68 -0.12 0.00 0.10 0.00 0.00 34.13 32.96 1xwe s GLU 1575CO 0.32 0.17 1.80 0.36 0.02 0.00 0.00 175.26 177.93 1xwe n LYS 1576N 2.35 2.13 -2.67 1.61 2.85 -1.26 -2.30 118.16 120.88 1xwe n LYS 1576Ca -0.16 0.78 -0.09 0.00 -1.05 0.00 0.00 58.31 57.78 1xwe n LYS 1576Cb 0.56 -2.60 0.05 0.00 -0.65 0.00 0.00 35.03 32.39 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 5.77 -3.73 -4.33 -5.58 2.03 -1.08 -5.02 116.55 104.60 1xwe n ASP 1577Ca 0.21 -0.41 -0.19 0.00 0.52 0.00 0.00 54.79 54.93 1xwe n ASP 1577Cb 0.29 -3.32 0.03 0.00 -0.72 0.00 0.00 41.12 37.40 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 -2.44 2.08 -4.39 1.67 7.64 -0.97 -4.78 113.62 112.43 1xwe n SER 1578Ca -0.09 -2.40 -0.35 0.00 1.01 0.00 0.00 58.87 57.04 1xwe n SER 1578Cb 0.58 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.47 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 -3.97 3.53 -0.01 1.43 2.12 -1.26 -2.29 118.70 118.25 1xwe s GLU 1579Ca 0.37 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 55.15 1xwe s GLU 1579Cb -0.03 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1xwe s GLU 1579CO 0.23 -0.08 -0.03 0.96 -0.54 0.00 0.00 175.26 175.80 1xwe s ILE 1580N 1.23 0.27 -0.12 -3.70 -4.36 -1.20 -5.05 121.20 108.26 1xwe s ILE 1580Ca 0.03 -0.10 -0.01 0.00 -0.26 0.00 0.00 60.65 60.31 1xwe s ILE 1580Cb -0.15 -0.26 -0.02 0.00 1.25 0.00 0.00 42.46 43.29 1xwe s ILE 1580CO 0.00 0.10 -0.10 -0.89 0.24 0.00 0.00 174.94 174.30 1xwe s THR 1581N 0.17 3.39 -0.39 8.37 2.01 -1.26 -2.37 115.64 125.56 1xwe s THR 1581Ca -0.01 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 1xwe s THR 1581Cb -0.04 -2.43 0.10 0.00 0.01 0.00 0.00 72.50 70.14 1xwe s THR 1581CO -0.00 0.53 0.17 -0.36 -0.69 0.00 0.00 174.62 174.27 1xwe s PHE 1582N 0.11 3.55 0.59 4.92 0.40 -0.55 -2.11 117.98 124.88 1xwe s PHE 1582Ca -0.04 -2.35 -0.03 0.00 -0.60 0.00 0.00 56.93 53.91 1xwe s PHE 1582Cb -0.14 -3.07 0.03 0.00 0.51 0.00 0.00 43.02 40.34 1xwe s PHE 1582CO 0.04 -0.95 0.86 0.96 0.70 0.00 0.00 175.22 176.83 1xwe s ILE 1583N 1.15 3.14 0.14 0.64 -4.36 0.92 -0.38 121.20 122.45 1xwe s ILE 1583Ca 0.07 -0.30 -0.15 0.00 -0.26 0.00 0.00 60.65 60.00 1xwe s ILE 1583Cb -0.22 -3.24 0.05 0.00 1.25 0.00 0.00 42.46 40.30 1xwe s ILE 1583CO -0.04 -0.22 0.73 2.29 0.24 0.00 0.00 174.94 177.94 1xwe n LYS 1584N -2.53 0.48 -4.33 0.37 2.85 0.12 -3.33 118.16 111.78 1xwe n LYS 1584Ca 0.06 -1.08 -0.19 0.00 -1.05 0.00 0.00 58.31 56.05 1xwe n LYS 1584Cb 0.59 1.45 -0.10 0.00 -0.65 0.00 0.00 35.03 36.32 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 -2.04 1.28 0.11 -1.58 1.02 -1.26 -2.22 119.74 115.05 1xwe s LYS 1585Ca 0.16 -1.53 0.14 0.00 0.02 0.00 0.00 55.97 54.76 1xwe s LYS 1585Cb -0.02 -1.11 0.64 0.00 -0.52 0.00 0.00 37.83 36.82 1xwe s LYS 1585CO 0.04 0.19 1.44 1.55 -0.92 0.00 0.00 175.35 177.65 1xwe n VAL 1586N -0.21 1.22 0.28 3.17 3.14 -1.21 -2.37 118.33 122.36 1xwe n VAL 1586Ca -0.09 0.39 0.13 0.00 -2.96 0.00 0.00 64.34 61.80 1xwe n VAL 1586Cb 0.60 -1.28 0.81 0.00 -1.06 0.00 0.00 33.84 32.91 1xwe n VAL 1586CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1xwe h THR 1587N 0.00 0.69 -3.31 1.55 1.35 -1.94 -3.42 112.91 107.82 1xwe h THR 1587Ca 0.00 -0.06 -0.53 0.00 -0.55 0.00 0.00 66.41 65.27 1xwe h THR 1587Cb 0.17 1.03 0.06 0.00 -1.73 0.00 0.00 68.15 67.69 1xwe h THR 1587CO 0.00 0.01 0.80 0.00 -0.25 0.00 0.00 175.52 176.08 1xwe n THR 1589N 2.46 1.99 -0.31 0.00 -1.04 -0.14 -4.67 114.28 112.58 1xwe n THR 1589Ca 0.08 -4.67 0.00 0.00 -2.04 0.00 0.00 64.05 57.42 1xwe n THR 1589Cb 0.39 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 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 -0.26 0.00 -4.76 8.00 2.85 -1.26 -4.87 115.26 114.96 1xwe n ASN 1590Ca 0.30 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.35 1xwe n ASN 1590Cb 0.63 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.64 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xwe s ALA 1591N 0.00 3.65 -0.29 5.20 0.00 -1.26 -4.01 121.76 125.05 1xwe s ALA 1591Ca 0.00 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1xwe s ALA 1591Cb 0.00 -3.61 0.18 0.00 0.00 0.00 0.00 23.12 19.70 1xwe s ALA 1591CO 0.00 -0.94 0.55 -2.00 0.00 0.00 0.00 175.76 173.37 1xwe s GLU 1592N -1.12 0.52 0.13 0.00 2.12 -1.26 -5.02 118.70 114.06 1xwe s GLU 1592Ca 0.58 0.74 0.05 0.00 0.36 0.00 0.00 54.97 56.70 1xwe s GLU 1592Cb -0.46 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 1xwe s GLU 1592CO 0.53 -0.77 -0.11 -0.51 -0.54 0.00 0.00 175.26 173.85 1xwe s LEU 1593N 2.78 2.47 -0.05 2.70 1.43 -1.26 -4.97 118.68 121.78 1xwe s LEU 1593Ca 0.16 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1xwe s LEU 1593Cb -0.14 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.72 1xwe s LEU 1593CO -0.22 -0.27 -0.03 -0.69 0.23 0.00 0.00 176.35 175.37 1xwe s VAL 1594N -2.81 0.46 -0.12 -1.59 1.01 -1.26 -5.11 120.40 110.99 1xwe s VAL 1594Ca 0.12 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 1xwe s VAL 1594Cb -0.01 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1xwe s VAL 1594CO 0.01 0.23 1.81 -0.75 0.00 0.00 0.00 175.10 176.40 1xwe s LYS 1595N 1.28 3.87 0.00 2.72 2.36 -1.26 -2.20 119.74 126.51 1xwe s LYS 1595Ca -0.05 2.08 0.00 0.00 -2.55 0.00 0.00 55.97 55.45 1xwe s LYS 1595Cb -0.14 -4.11 0.00 0.00 -1.05 0.00 0.00 37.83 32.54 1xwe s LYS 1595CO -0.02 -1.23 0.00 0.41 1.55 0.00 0.00 175.35 176.06 1xwe n GLY 1596N 4.67 2.18 3.98 5.54 0.00 -1.07 -5.01 105.19 115.48 1xwe n GLY 1596Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.03 1.63 0.04 1.61 0.52 -0.94 -4.86 118.95 116.93 1xwe s ARG 1597Ca 0.00 -0.99 0.08 0.00 -0.52 0.00 0.00 55.73 54.30 1xwe s ARG 1597Cb 0.00 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 33.16 1xwe s ARG 1597CO 0.00 -1.50 -0.23 -0.65 0.02 0.00 0.00 175.30 172.93 1xwe s GLN 1598N -5.20 1.91 -0.02 3.54 -0.21 -1.24 -2.09 119.66 116.34 1xwe s GLN 1598Ca 0.66 -1.06 -0.03 0.00 0.02 0.00 0.00 55.36 54.96 1xwe s GLN 1598Cb -0.06 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.90 1xwe s GLN 1598CO 0.45 0.52 0.07 0.71 -2.12 0.00 0.00 175.29 174.92 1xwe s TYR 1599N -0.84 -0.04 0.29 0.91 2.02 -0.76 -0.90 117.35 118.04 1xwe s TYR 1599Ca 0.13 0.10 -0.22 0.00 -0.37 0.00 0.00 57.07 56.71 1xwe s TYR 1599Cb -0.10 0.00 -0.09 0.00 -0.40 0.00 0.00 41.96 41.37 1xwe s TYR 1599CO 0.03 -0.07 0.84 -1.17 -1.57 0.00 0.00 175.55 173.61 1xwe s LEU 1600N -0.21 4.29 -0.05 -1.29 2.96 -0.04 -2.22 118.68 122.12 1xwe s LEU 1600Ca -0.03 1.62 -0.01 0.00 -0.22 0.00 0.00 54.13 55.49 1xwe s LEU 1600Cb -0.02 -3.89 0.03 0.00 0.50 0.00 0.00 46.19 42.81 1xwe s LEU 1600CO 0.00 -0.06 0.02 -0.63 -1.32 0.00 0.00 176.35 174.36 1xwe s ILE 1601N -1.65 0.14 -0.16 6.68 1.01 -0.20 -1.95 121.20 125.06 1xwe s ILE 1601Ca 0.49 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.33 1xwe s ILE 1601Cb -0.16 -0.32 0.07 0.00 0.01 0.00 0.00 42.46 42.05 1xwe s ILE 1601CO 0.21 0.20 0.17 -0.04 0.00 0.00 0.00 174.94 175.49 1xwe s MET 1602N 1.84 0.12 0.10 2.79 -1.94 -0.53 -1.22 119.30 120.46 1xwe s MET 1602Ca 0.02 0.24 -0.20 0.00 -1.71 0.00 0.00 55.69 54.04 1xwe s MET 1602Cb -0.12 -1.09 0.07 0.00 2.01 0.00 0.00 34.83 35.70 1xwe s MET 1602CO -0.04 -0.56 0.93 0.41 -0.01 0.00 0.00 175.02 175.75 1xwe n GLY 1603N 5.31 0.58 3.69 -0.03 0.00 -0.73 -0.52 105.19 113.49 1xwe n GLY 1603Ca -0.06 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 1xwe n GLY 1603CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xwe s LYS 1604N -2.03 1.42 0.82 1.61 2.36 -1.18 -0.94 119.74 121.80 1xwe s LYS 1604Ca 0.21 1.70 -0.15 0.00 -2.55 0.00 0.00 55.97 55.18 1xwe s LYS 1604Cb -0.02 -1.76 -0.04 0.00 -1.05 0.00 0.00 37.83 34.96 1xwe s LYS 1604CO 0.03 -2.36 0.24 -1.91 1.55 0.00 0.00 175.35 172.90 1xwe n GLU 1605N -3.60 0.05 0.00 4.03 2.13 -1.26 -4.71 120.64 117.28 1xwe n GLU 1605Ca 0.13 0.05 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1xwe n GLU 1605Cb 0.51 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.57 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xwe n ALA 1606N -2.72 0.00 -1.71 4.31 0.00 -1.26 -5.03 120.51 114.10 1xwe n ALA 1606Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1xwe n ALA 1606Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -3.35 0.00 4.77 -1.21 -4.99 117.00 112.23 1xwe n LEU 1607Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1xwe n LEU 1607Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1xwe n LEU 1607CO 0.00 -0.29 -0.11 -1.10 -1.33 0.00 0.00 177.39 174.55 1xwe s GLN 1608N -0.95 0.37 -0.01 3.23 -1.52 -1.26 -4.60 119.66 114.92 1xwe s GLN 1608Ca 0.00 0.04 0.08 0.00 -1.95 0.00 0.00 55.36 53.53 1xwe s GLN 1608Cb 0.00 -0.46 -0.11 0.00 -0.22 0.00 0.00 33.01 32.22 1xwe s GLN 1608CO 0.00 -1.01 0.23 -0.89 -0.25 0.00 0.00 175.29 173.37 1xwe n ILE 1609N 5.34 0.00 -1.42 1.08 2.08 -0.77 -4.98 119.36 120.69 1xwe n ILE 1609Ca -0.01 -0.23 0.19 0.00 0.56 0.00 0.00 62.75 63.26 1xwe n ILE 1609Cb 0.48 0.58 -0.06 0.00 -0.75 0.00 0.00 39.64 39.89 1xwe n ILE 1609CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1xwe n LYS 1610N -1.55 -2.92 0.00 0.38 5.02 -1.25 -4.67 118.16 113.17 1xwe n LYS 1610Ca -0.00 2.03 0.00 0.00 -2.02 0.00 0.00 58.31 58.32 1xwe n LYS 1610Cb 0.17 -3.54 0.00 0.00 -0.02 0.00 0.00 35.03 31.64 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1xwe n TYR 1611N -4.18 -1.40 0.16 2.13 9.36 -1.18 -3.65 117.16 118.40 1xwe n TYR 1611Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1xwe n TYR 1611Cb 0.67 0.43 0.00 0.00 -0.63 0.00 0.00 39.34 39.81 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 -2.29 -2.91 -0.20 2.98 2.85 -1.26 -4.95 115.26 109.48 1xwe n ASN 1612Ca 0.00 0.64 0.04 0.00 -0.11 0.00 0.00 54.58 55.16 1xwe n ASN 1612Cb 0.00 2.85 -0.00 0.00 1.24 0.00 0.00 39.78 43.87 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xwe n ALA 1613N -3.15 2.78 -3.67 5.20 0.00 -1.26 -4.98 120.51 115.44 1xwe n ALA 1613Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1xwe n ALA 1613Cb 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.03 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe s SER 1614N -1.28 -0.58 0.53 0.00 0.15 -1.26 -5.15 113.70 106.11 1xwe s SER 1614Ca 0.07 0.99 -0.22 0.00 0.70 0.00 0.00 55.95 57.49 1xwe s SER 1614Cb 0.07 0.87 -0.06 0.00 -1.71 0.00 0.00 66.02 65.20 1xwe s SER 1614CO 0.23 -0.20 1.27 0.49 1.20 0.00 0.00 173.24 176.23 1xwe n PHE 1615N 4.19 2.02 -3.26 3.44 3.72 -1.26 -3.11 117.46 123.20 1xwe n PHE 1615Ca -0.22 0.45 -0.44 0.00 -0.05 0.00 0.00 57.45 57.19 1xwe n PHE 1615Cb 0.56 -2.33 -0.07 0.00 -0.94 0.00 0.00 39.48 36.70 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 -2.71 3.06 -0.29 -1.08 3.52 -1.24 -4.73 118.95 115.48 1xwe s ARG 1616Ca 0.70 -1.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.11 1xwe s ARG 1616Cb -0.44 -4.11 -0.04 0.00 -1.56 0.00 0.00 34.95 28.81 1xwe s ARG 1616CO 0.51 -1.12 0.25 0.71 -0.81 0.00 0.00 175.30 174.83 1xwe s TYR 1617N 2.21 3.23 0.01 5.12 2.02 -1.26 -1.85 117.35 126.82 1xwe s TYR 1617Ca 0.10 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 1xwe s TYR 1617Cb -0.21 -2.46 -0.01 0.00 -0.40 0.00 0.00 41.96 38.88 1xwe s TYR 1617CO 0.10 -0.23 -0.05 0.96 -1.57 0.00 0.00 175.55 174.76 1xwe s ILE 1618N 1.84 0.34 -0.24 2.71 -4.36 -1.26 -4.38 121.20 115.84 1xwe s ILE 1618Ca 0.09 -0.43 -0.10 0.00 -0.26 0.00 0.00 60.65 59.95 1xwe s ILE 1618Cb -0.16 -0.33 -0.05 0.00 1.25 0.00 0.00 42.46 43.16 1xwe s ILE 1618CO 0.11 -0.07 0.16 -0.31 0.24 0.00 0.00 174.94 175.07 1xwe s TYR 1619N -0.49 3.29 -1.14 1.37 1.51 -0.90 -3.31 117.35 117.68 1xwe s TYR 1619Ca -0.02 0.18 0.23 0.00 -1.01 0.00 0.00 57.07 56.44 1xwe s TYR 1619Cb -0.04 -2.28 1.04 0.00 -0.11 0.00 0.00 41.96 40.57 1xwe s TYR 1619CO -0.00 0.02 1.74 -0.35 -1.11 0.00 0.00 175.55 175.85 1xwe n PRO 1620N 4.40 0.11 -2.52 -1.71 -0.04 -1.26 -0.05 135.00 133.93 1xwe n PRO 1620Ca -0.15 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 1xwe n PRO 1620Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1xwe n PRO 1620CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xwe n LEU 1621N -1.43 -6.35 -4.16 1.53 4.77 -1.21 -4.23 117.00 105.92 1xwe n LEU 1621Ca 0.07 2.54 -0.14 0.00 -0.03 0.00 0.00 56.01 58.45 1xwe n LEU 1621Cb 0.24 -3.31 -0.07 0.00 -2.33 0.00 0.00 43.42 37.95 1xwe n LEU 1621CO 0.20 -3.74 -0.03 -1.81 -1.33 0.00 0.00 177.39 170.68 1xwe s ASP 1622N -0.65 0.71 0.25 -1.43 1.01 -1.26 -3.43 116.67 111.87 1xwe s ASP 1622Ca -0.20 -1.44 0.17 0.00 0.71 0.00 0.00 52.55 51.79 1xwe s ASP 1622Cb 0.01 0.54 0.91 0.00 1.01 0.00 0.00 42.92 45.39 1xwe s ASP 1622CO 0.54 -1.08 1.51 -1.54 0.21 0.00 0.00 175.17 174.82 1xwe n SER 1623N -0.93 0.44 -0.04 0.27 3.41 -0.88 -1.83 113.62 114.04 1xwe n SER 1623Ca 0.02 0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1xwe n SER 1623Cb 0.63 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 1xwe n SER 1623CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xwe h LEU 1624N 0.00 0.25 -8.98 1.04 5.85 -1.87 -3.42 115.31 108.18 1xwe h LEU 1624Ca 0.00 -0.45 -0.57 0.00 0.84 0.00 0.00 57.88 57.71 1xwe h LEU 1624Cb 0.00 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1xwe h LEU 1624CO 0.00 0.64 0.99 -0.89 -0.34 0.00 0.00 178.44 178.84 1xwe s THR 1625N -4.43 4.09 -0.13 1.05 2.01 -0.76 -4.70 115.64 112.76 1xwe s THR 1625Ca -0.15 1.23 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 1xwe s THR 1625Cb 0.04 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1xwe s THR 1625CO 0.72 -0.43 1.38 0.86 -0.69 0.00 0.00 174.62 176.46 1xwe s TRP 1626N 4.44 2.58 -0.02 4.92 -0.11 0.32 -4.79 118.94 126.28 1xwe s TRP 1626Ca 0.58 0.76 0.07 0.00 1.22 0.00 0.00 56.10 58.73 1xwe s TRP 1626Cb -0.18 -3.63 -0.02 0.00 -1.50 0.00 0.00 33.47 28.14 1xwe s TRP 1626CO 0.23 -2.35 -0.22 0.42 -4.62 0.00 0.00 176.95 170.41 1xwe s ILE 1627N 3.67 2.39 0.06 5.86 1.01 -1.26 -1.45 121.20 131.48 1xwe s ILE 1627Ca 0.60 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1xwe s ILE 1627Cb -0.25 -1.88 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1xwe s ILE 1627CO 0.19 0.55 -0.08 -0.70 0.00 0.00 0.00 174.94 174.90 1xwe s GLU 1628N -0.75 0.66 -0.44 2.79 2.12 -0.82 -4.46 118.70 117.78 1xwe s GLU 1628Ca 0.11 -0.97 -0.21 0.00 0.36 0.00 0.00 54.97 54.26 1xwe s GLU 1628Cb -0.10 -0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.01 1xwe s GLU 1628CO 0.00 0.04 0.64 -0.47 -0.54 0.00 0.00 175.26 174.93 1xwe s TYR 1629N -2.13 3.06 -0.48 5.30 5.04 -1.26 -0.86 117.35 126.03 1xwe s TYR 1629Ca -0.02 -0.10 -0.21 0.00 -2.44 0.00 0.00 57.07 54.29 1xwe s TYR 1629Cb -0.05 -3.36 0.04 0.00 0.35 0.00 0.00 41.96 38.94 1xwe s TYR 1629CO -0.01 -0.89 0.72 -0.46 -1.34 0.00 0.00 175.55 173.57 1xwe s TRP 1630N 2.80 3.00 -0.72 4.97 -0.11 -0.07 -4.81 118.94 124.00 1xwe s TRP 1630Ca 0.22 -0.13 -0.27 0.00 1.22 0.00 0.00 56.10 57.13 1xwe s TRP 1630Cb -0.15 -3.58 -0.14 0.00 -1.50 0.00 0.00 33.47 28.11 1xwe s TRP 1630CO 0.18 -1.02 2.52 -2.30 -4.62 0.00 0.00 176.95 171.72 1xwe n PRO 1631N 6.53 0.57 0.28 5.86 -0.02 -1.26 -3.70 135.00 143.26 1xwe n PRO 1631Ca -0.02 -0.05 0.15 0.00 -2.02 0.00 0.00 63.50 61.57 1xwe n PRO 1631Cb 0.47 -2.62 0.82 0.00 -0.02 0.00 0.00 33.50 32.15 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 16.05 0.00 -6.01 -0.52 1.12 -1.94 -3.42 114.38 119.66 1xwe h ARG 1632Ca -0.14 0.00 -0.58 0.00 -1.11 0.00 0.00 59.98 58.15 1xwe h ARG 1632Cb 1.27 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 31.17 1xwe h ARG 1632CO 1.26 0.07 -0.08 0.16 -3.11 0.00 0.00 179.97 178.27 1xwe s ASP 1633N -5.95 6.89 0.00 -3.80 1.47 -1.26 -4.91 116.67 109.11 1xwe s ASP 1633Ca -0.03 1.06 0.00 0.00 1.18 0.00 0.00 52.55 54.76 1xwe s ASP 1633Cb 0.13 -2.32 0.00 0.00 -0.34 0.00 0.00 42.92 40.39 1xwe s ASP 1633CO 0.55 0.15 0.00 0.35 0.68 0.00 0.00 175.17 176.90 1xwe n THR 1634N 2.61 0.00 -1.66 2.11 -2.24 -1.26 -4.87 114.28 108.97 1xwe n THR 1634Ca -0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1xwe n THR 1634Cb 0.51 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.80 -0.16 0.00 4.28 -2.24 -1.26 -4.55 114.28 109.55 1xwe n THR 1635Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xwe n THR 1635Cb 0.07 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 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 -2.05 -1.69 0.00 0.00 3.41 -1.26 -4.99 113.62 107.04 1xwe n SER 1637Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1xwe n SER 1637Cb 0.00 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.93 0.00 -3.75 4.04 3.41 -1.26 -5.02 113.62 108.10 1xwe n SER 1638Ca 0.00 -0.85 -0.15 0.00 -0.26 0.00 0.00 58.87 57.61 1xwe n SER 1638Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 4.29 0.00 0.00 0.00 -0.06 -1.26 -4.72 117.38 115.62 1xwe n GLN 1640Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.74 1xwe n GLN 1640Cb 0.51 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.69 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xwe n ALA 1641N -3.00 0.00 1.17 1.69 0.00 -1.26 -4.59 120.51 114.52 1xwe n ALA 1641Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xwe n ALA 1641Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 1xwe n ALA 1641CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwe n PHE 1642N -0.44 0.00 0.81 0.00 7.35 -1.26 -3.09 117.46 120.83 1xwe n PHE 1642Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1xwe n PHE 1642Cb 0.00 -0.38 0.43 0.00 0.35 0.00 0.00 39.48 39.88 1xwe n PHE 1642CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1xwe n LEU 1643N -1.38 0.00 -0.00 -2.13 7.99 -1.26 -2.61 117.00 117.61 1xwe n LEU 1643Ca 0.10 0.25 -0.19 0.00 -0.01 0.00 0.00 56.01 56.17 1xwe n LEU 1643Cb 0.27 -0.25 -0.14 0.00 -0.11 0.00 0.00 43.42 43.18 1xwe n LEU 1643CO 0.23 -0.12 -0.76 0.00 -1.51 0.00 0.00 177.39 175.24 1xwe n ALA 1644N -1.25 1.02 0.59 -1.18 0.00 -1.18 -3.84 120.51 114.67 1xwe n ALA 1644Ca 0.08 -0.63 0.13 0.00 0.00 0.00 0.00 53.44 53.02 1xwe n ALA 1644Cb 0.12 -0.71 0.41 0.00 0.00 0.00 0.00 19.45 19.28 1xwe n ALA 1644CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xwe n ASN 1645N -3.39 0.83 0.16 0.00 3.02 -1.07 -3.02 115.26 111.79 1xwe n ASN 1645Ca -0.29 0.59 0.07 0.00 -0.03 0.00 0.00 54.58 54.92 1xwe n ASN 1645Cb 1.05 -0.81 0.07 0.00 -0.61 0.00 0.00 39.78 39.48 1xwe n ASN 1645CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xwe h LEU 1646N 0.00 0.00 -0.09 3.41 3.38 -1.65 -3.27 115.31 117.09 1xwe h LEU 1646Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1xwe h LEU 1646Cb 0.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1xwe h LEU 1646CO 0.00 0.26 -0.86 -0.78 0.09 0.00 0.00 178.44 177.15 1xwe h ASP 1647N 0.00 0.91 0.53 -0.43 3.58 -1.64 -0.14 116.42 119.23 1xwe h ASP 1647Ca -0.02 -0.68 -0.02 0.00 0.42 0.00 0.00 57.03 56.74 1xwe h ASP 1647Cb 1.21 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.99 1xwe h ASP 1647CO 0.03 1.45 -0.09 -0.08 -2.88 0.00 0.00 179.24 177.67 1xwe h GLU 1648N 0.44 0.00 0.00 0.28 4.81 -1.64 -2.49 114.58 115.98 1xwe h GLU 1648Ca -0.08 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 1xwe h GLU 1648Cb 1.51 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.86 1xwe h GLU 1648CO 0.17 0.09 -1.82 0.34 -0.73 0.00 0.00 179.01 177.06 1xwe n PHE 1649N -3.40 0.39 0.00 0.92 7.35 -1.18 -3.89 117.46 117.65 1xwe n PHE 1649Ca -0.01 0.12 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1xwe n PHE 1649Cb 0.25 -0.84 0.00 0.00 0.35 0.00 0.00 39.48 39.24 1xwe n PHE 1649CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwe n ALA 1650N -2.41 -0.14 0.33 3.13 0.00 -0.07 -2.65 120.51 118.69 1xwe n ALA 1650Ca -0.12 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.52 1xwe n ALA 1650Cb 0.79 0.01 1.12 0.00 0.00 0.00 0.00 19.45 21.37 1xwe n ALA 1650CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xwe h GLU 1651N 0.00 0.00 0.00 0.00 4.81 -1.81 -2.44 114.58 115.14 1xwe h GLU 1651Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xwe h GLU 1651Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xwe h GLU 1651CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.81 1xwe n ASP 1652N -3.25 0.00 0.18 1.04 -0.08 -1.19 -0.13 116.55 113.13 1xwe n ASP 1652Ca -0.03 0.68 0.12 0.00 -1.51 0.00 0.00 54.79 54.05 1xwe n ASP 1652Cb 0.10 -0.18 0.66 0.00 2.34 0.00 0.00 41.12 44.04 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 0.91 -0.41 5.18 6.09 -1.51 0.72 117.51 128.48 1xwe h ILE 1653Ca 0.00 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 63.38 1xwe h ILE 1653Cb 0.00 0.92 -0.02 0.00 0.47 0.00 0.00 36.82 38.19 1xwe h ILE 1653CO 0.00 0.00 -0.18 0.15 -3.07 0.00 0.00 178.15 175.05 1xwe h PHE 1654N 0.00 0.88 0.00 2.19 3.57 -1.42 -3.27 116.94 118.90 1xwe h PHE 1654Ca 0.07 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1xwe h PHE 1654Cb 0.30 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1xwe h PHE 1654CO 0.00 0.90 0.00 -0.11 -2.23 0.00 0.00 178.31 176.87 1xwe n LEU 1655N -4.13 0.00 0.05 0.59 7.94 0.82 -4.85 117.00 117.42 1xwe n LEU 1655Ca 0.01 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1xwe n LEU 1655Cb 0.41 -0.30 -0.02 0.00 0.53 0.00 0.00 43.42 44.04 1xwe n LEU 1655CO 0.44 -0.42 0.50 0.78 -1.11 0.00 0.00 177.39 177.59 1xwe h ASN 1656N 0.00 -0.24 -2.66 1.96 2.35 0.29 -3.49 115.58 113.80 1xwe h ASN 1656Ca 0.00 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1xwe h ASN 1656Cb 0.00 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1xwe h ASN 1656CO 0.00 -0.12 -0.08 0.61 -1.65 0.00 0.00 177.43 176.19 1xwe n GLY 1657N -1.10 -1.61 0.54 2.83 0.00 -0.53 -4.96 105.19 100.37 1xwe n GLY 1657Ca -0.02 -1.22 0.14 0.00 0.00 0.00 0.00 46.02 44.92 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32