#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe s SER 1509N 0.00 -0.05 0.09 1.61 0.15 -1.26 -5.16 113.70 109.09 1xwe s SER 1509Ca 0.00 0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.71 1xwe s SER 1509Cb 0.00 0.12 -0.05 0.00 -1.71 0.00 0.00 66.02 64.38 1xwe s SER 1509CO 0.00 -0.03 0.30 -1.38 1.20 0.00 0.00 173.24 173.32 1xwe s HIS 1510N -0.04 3.50 0.34 3.44 0.00 -1.26 -5.10 115.29 116.18 1xwe s HIS 1510Ca -0.01 0.43 -0.04 0.00 -3.00 0.00 0.00 55.06 52.44 1xwe s HIS 1510Cb -0.01 -1.90 -0.05 0.00 -4.00 0.00 0.00 32.58 26.62 1xwe s HIS 1510CO 0.00 0.52 0.61 1.41 -1.00 0.00 0.00 174.74 176.28 1xwe s MET 1511N -2.49 3.61 0.47 -0.38 -2.45 -1.26 -5.11 119.30 111.69 1xwe s MET 1511Ca 0.37 0.02 0.06 0.00 -1.25 0.00 0.00 55.69 54.89 1xwe s MET 1511Cb -0.13 -2.58 -0.02 0.00 1.25 0.00 0.00 34.83 33.36 1xwe s MET 1511CO 0.25 0.11 0.23 0.00 1.05 0.00 0.00 175.02 176.66 1xwe s ALA 1512N -2.26 3.96 -0.57 4.11 0.00 -1.26 -5.03 121.76 120.70 1xwe s ALA 1512Ca 0.44 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 1xwe s ALA 1512Cb -0.10 -0.45 0.40 0.00 0.00 0.00 0.00 23.12 22.97 1xwe s ALA 1512CO 0.33 -0.23 2.02 -0.40 0.00 0.00 0.00 175.76 177.49 1xwe n ASP 1513N -1.42 7.22 -4.43 0.00 5.75 -1.26 -4.63 116.55 117.78 1xwe n ASP 1513Ca -0.04 -3.59 -0.51 0.00 -0.01 0.00 0.00 54.79 50.64 1xwe n ASP 1513Cb 0.65 -0.99 -0.07 0.00 -1.03 0.00 0.00 41.12 39.67 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xwe n GLY 1515N 6.62 0.90 3.51 0.00 0.00 -1.11 -3.50 105.19 111.61 1xwe n GLY 1515Ca 0.42 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.55 0.81 -2.20 1.61 7.27 0.63 -3.75 117.38 121.20 1xwe n GLN 1516Ca 0.00 0.10 -0.34 0.00 0.07 0.00 0.00 57.00 56.83 1xwe n GLN 1516Cb 0.49 -2.63 0.00 0.00 2.41 0.00 0.00 30.24 30.52 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 7.78 3.35 0.77 3.69 -1.94 -1.26 -4.89 119.30 126.80 1xwe s MET 1517Ca 1.12 1.45 -0.12 0.00 -1.71 0.00 0.00 55.69 56.43 1xwe s MET 1517Cb -0.67 -2.02 0.06 0.00 2.01 0.00 0.00 34.83 34.20 1xwe s MET 1517CO 0.39 -0.82 1.15 -0.65 -0.01 0.00 0.00 175.02 175.08 1xwe s GLN 1518N -3.55 2.29 1.11 2.03 -1.52 -1.26 -5.06 119.66 113.72 1xwe s GLN 1518Ca 0.69 0.25 -0.14 0.00 -1.95 0.00 0.00 55.36 54.21 1xwe s GLN 1518Cb -0.20 -1.98 0.25 0.00 -0.22 0.00 0.00 33.01 30.86 1xwe s GLN 1518CO 0.30 -1.39 1.06 -1.21 -0.25 0.00 0.00 175.29 173.80 1xwe s GLU 1519N -5.49 -0.48 -0.20 2.91 2.02 -1.26 -4.86 118.70 111.34 1xwe s GLU 1519Ca 0.61 0.50 -0.08 0.00 0.02 0.00 0.00 54.97 56.01 1xwe s GLU 1519Cb -0.11 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.44 1xwe s GLU 1519CO 0.50 -3.34 0.09 -1.21 0.02 0.00 0.00 175.26 171.31 1xwe s GLU 1520N -4.86 3.98 -1.90 1.61 2.02 -1.26 -4.35 118.70 113.93 1xwe s GLU 1520Ca 0.67 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.33 1xwe s GLU 1520Cb -0.19 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1xwe s GLU 1520CO 0.60 0.19 0.00 1.28 0.02 0.00 0.00 175.26 177.35 1xwe n LEU 1521N 3.81 -1.43 -4.55 1.80 4.77 -1.26 -4.84 117.00 115.29 1xwe n LEU 1521Ca -0.16 0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 1xwe n LEU 1521Cb 0.52 -2.64 -0.04 0.00 -2.33 0.00 0.00 43.42 38.93 1xwe n LEU 1521CO 0.35 -0.82 1.95 -0.90 -1.33 0.00 0.00 177.39 176.64 1xwe n ASP 1522N -1.29 2.56 -4.42 -1.43 5.75 -1.26 -4.89 116.55 111.57 1xwe n ASP 1522Ca -0.19 -0.11 -0.44 0.00 -0.01 0.00 0.00 54.79 54.04 1xwe n ASP 1522Cb 0.62 -1.51 -0.04 0.00 -1.03 0.00 0.00 41.12 39.17 1xwe n ASP 1522CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xwe s LEU 1523N 10.06 4.97 0.00 -2.12 1.43 -1.26 -4.26 118.68 127.50 1xwe s LEU 1523Ca 1.02 -1.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1xwe s LEU 1523Cb -0.36 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1xwe s LEU 1523CO 0.33 -1.21 0.00 1.07 0.23 0.00 0.00 176.35 176.77 1xwe n THR 1524N 5.62 0.00 -3.37 5.49 5.66 -1.26 -5.12 114.28 121.31 1xwe n THR 1524Ca 0.01 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.62 1xwe n THR 1524Cb 0.45 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.15 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 -0.15 5.17 0.50 1.09 1.01 -1.26 -5.07 121.20 122.49 1xwe s ILE 1525Ca 0.00 0.67 -0.05 0.00 0.00 0.00 0.00 60.65 61.27 1xwe s ILE 1525Cb 0.00 -3.73 0.11 0.00 0.01 0.00 0.00 42.46 38.85 1xwe s ILE 1525CO 0.00 0.18 0.68 -1.54 0.00 0.00 0.00 174.94 174.27 1xwe n SER 1526N 5.01 0.45 -0.09 3.58 3.41 -1.26 -4.89 113.62 119.83 1xwe n SER 1526Ca -0.08 -1.49 0.15 0.00 -0.26 0.00 0.00 58.87 57.20 1xwe n SER 1526Cb 0.51 -0.49 0.83 0.00 -0.26 0.00 0.00 64.21 64.80 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n ALA 1527N -3.21 2.66 0.02 7.33 0.00 -1.26 -3.24 120.51 122.80 1xwe n ALA 1527Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1xwe n ALA 1527Cb 0.34 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.75 5.09 0.07 0.00 1.02 -1.26 -4.29 120.64 120.51 1xwe n GLU 1528Ca 0.22 -0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.18 1xwe n GLU 1528Cb 0.15 -0.65 -0.14 0.00 -0.02 0.00 0.00 31.44 30.78 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 0.00 1.13 0.00 2.62 2.02 -1.92 -3.31 112.91 113.45 1xwe h THR 1529Ca 0.00 -2.76 -0.12 0.00 0.77 0.00 0.00 66.41 64.30 1xwe h THR 1529Cb 0.01 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 1xwe h THR 1529CO 0.00 0.82 -1.06 0.08 0.37 0.00 0.00 175.52 175.73 1xwe h ARG 1530N 0.07 0.00 0.00 6.66 0.11 -1.83 -3.30 114.38 116.09 1xwe h ARG 1530Ca -0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.80 1xwe h ARG 1530Cb 2.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.10 1xwe h ARG 1530CO 0.17 0.30 -0.11 -0.22 0.10 0.00 0.00 179.97 180.21 1xwe h LYS 1531N 0.00 0.00 -0.09 0.08 3.64 -1.75 -2.60 116.57 115.85 1xwe h LYS 1531Ca -0.09 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1xwe h LYS 1531Cb 1.43 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1xwe h LYS 1531CO 0.04 0.11 0.24 1.96 -2.27 0.00 0.00 179.45 179.53 1xwe h GLN 1532N 0.00 0.00 0.00 1.90 1.08 -1.65 0.23 115.11 116.68 1xwe h GLN 1532Ca -0.00 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.90 1xwe h GLN 1532Cb 0.51 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 1xwe h GLN 1532CO 0.01 0.00 -1.77 2.41 -0.95 0.00 0.00 178.83 178.53 1xwe n THR 1533N -3.25 1.59 0.01 -0.54 -1.04 -0.98 -3.19 114.28 106.89 1xwe n THR 1533Ca -0.00 -0.80 0.05 0.00 -2.04 0.00 0.00 64.05 61.26 1xwe n THR 1533Cb 0.33 -1.00 0.45 0.00 -1.82 0.00 0.00 70.33 68.29 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 0.99 1.77 -0.34 2.41 0.00 -0.63 -1.01 119.26 122.45 1xwe h ALA 1534Ca -0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xwe h ALA 1534Cb 2.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1xwe h ALA 1534CO 0.07 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1xwe s LYS 1536N -1.34 4.14 0.17 0.00 2.20 -0.38 -4.92 119.74 119.61 1xwe s LYS 1536Ca 0.34 2.54 -0.20 0.00 -0.36 0.00 0.00 55.97 58.28 1xwe s LYS 1536Cb 0.20 -3.01 0.10 0.00 -1.51 0.00 0.00 37.83 33.61 1xwe s LYS 1536CO 0.27 -0.55 1.62 -1.35 -0.36 0.00 0.00 175.35 174.98 1xwe h PRO 1537N 3.99 -0.16 -0.03 4.03 0.11 -1.91 0.66 132.00 138.69 1xwe h PRO 1537Ca -0.49 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1xwe h PRO 1537Cb 1.23 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xwe h PRO 1537CO 0.72 -0.10 0.03 1.05 -0.21 0.00 0.00 178.00 179.48 1xwe h GLU 1538N -0.16 0.00 -6.62 1.05 4.11 -1.94 -3.42 114.58 107.61 1xwe h GLU 1538Ca 0.20 0.00 -0.51 0.00 0.07 0.00 0.00 59.36 59.12 1xwe h GLU 1538Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1xwe h GLU 1538CO -0.52 0.00 0.15 0.42 0.07 0.00 0.00 179.01 179.13 1xwe s ILE 1539N -4.94 4.50 0.01 -1.06 -1.09 0.23 -3.04 121.20 115.81 1xwe s ILE 1539Ca -0.05 1.39 -0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1xwe s ILE 1539Cb 0.17 -3.89 -0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1xwe s ILE 1539CO 0.64 0.21 -0.02 0.00 -1.23 0.00 0.00 174.94 174.53 1xwe n ALA 1540N 0.72 2.28 -2.58 9.38 0.00 0.16 -4.65 120.51 125.82 1xwe n ALA 1540Ca -0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.06 1xwe n ALA 1540Cb 0.51 0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.29 3.50 -0.29 0.00 -0.85 -0.17 -4.68 117.35 113.56 1xwe s TYR 1541Ca -0.02 0.49 0.01 0.00 -0.52 0.00 0.00 57.07 57.03 1xwe s TYR 1541Cb 0.00 -2.00 0.15 0.00 0.38 0.00 0.00 41.96 40.49 1xwe s TYR 1541CO 0.03 0.12 0.36 0.00 -1.52 0.00 0.00 175.55 174.53 1xwe s ALA 1542N -2.25 -0.87 0.37 9.51 0.00 -0.93 -1.99 121.76 125.61 1xwe s ALA 1542Ca 0.42 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.28 1xwe s ALA 1542Cb -0.10 -1.96 0.02 0.00 0.00 0.00 0.00 23.12 21.09 1xwe s ALA 1542CO 0.34 -1.74 0.60 1.52 0.00 0.00 0.00 175.76 176.48 1xwe s TYR 1543N 2.45 0.76 -0.02 0.00 -0.85 -0.97 -0.28 117.35 118.45 1xwe s TYR 1543Ca 0.10 -1.16 0.05 0.00 -0.52 0.00 0.00 57.07 55.54 1xwe s TYR 1543Cb -0.13 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 1xwe s TYR 1543CO -0.31 -1.32 -0.18 -1.59 -1.52 0.00 0.00 175.55 170.62 1xwe s LYS 1544N -2.66 2.31 0.31 -3.49 -2.85 -0.94 -2.03 119.74 110.38 1xwe s LYS 1544Ca 0.25 -0.82 0.05 0.00 -1.00 0.00 0.00 55.97 54.46 1xwe s LYS 1544Cb -0.02 -2.25 -0.03 0.00 -2.06 0.00 0.00 37.83 33.46 1xwe s LYS 1544CO 0.18 0.59 0.23 0.14 0.10 0.00 0.00 175.35 176.59 1xwe s VAL 1545N -0.75 0.07 -0.10 1.79 -7.23 -0.94 -0.39 120.40 112.86 1xwe s VAL 1545Ca 0.12 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1xwe s VAL 1545Cb -0.10 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.39 1xwe s VAL 1545CO 0.01 0.00 0.23 -0.55 -0.31 0.00 0.00 175.10 174.48 1xwe s SER 1546N -3.35 -0.24 0.15 4.85 0.15 -0.54 -1.50 113.70 113.22 1xwe s SER 1546Ca 0.39 0.49 -0.31 0.00 0.70 0.00 0.00 55.95 57.22 1xwe s SER 1546Cb 0.03 0.38 -0.09 0.00 -1.71 0.00 0.00 66.02 64.63 1xwe s SER 1546CO 0.23 -0.16 1.43 -0.63 1.20 0.00 0.00 173.24 175.31 1xwe s ILE 1547N 1.26 3.05 0.00 6.45 -1.09 -1.13 -1.60 121.20 128.14 1xwe s ILE 1547Ca -0.09 0.78 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 1xwe s ILE 1547Cb -0.11 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1xwe s ILE 1547CO -0.08 0.07 0.00 1.07 -1.23 0.00 0.00 174.94 174.77 1xwe n THR 1548N 3.64 0.00 -3.74 2.92 5.66 -1.20 -0.93 114.28 120.63 1xwe n THR 1548Ca 0.11 -0.16 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 1xwe n THR 1548Cb 0.41 0.95 -0.11 0.00 -1.55 0.00 0.00 70.33 70.03 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1xwe s SER 1549N -0.38 -0.39 -0.10 1.09 0.01 -0.71 -4.95 113.70 108.28 1xwe s SER 1549Ca 0.00 0.74 -0.02 0.00 1.31 0.00 0.00 55.95 57.98 1xwe s SER 1549Cb 0.00 0.73 0.04 0.00 0.21 0.00 0.00 66.02 67.00 1xwe s SER 1549CO 0.00 -0.13 0.01 -0.63 0.41 0.00 0.00 173.24 172.90 1xwe s ILE 1550N 0.34 0.39 -0.46 1.44 1.01 -1.26 -1.02 121.20 121.64 1xwe s ILE 1550Ca -0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.49 1xwe s ILE 1550Cb -0.03 -0.64 0.09 0.00 0.01 0.00 0.00 42.46 41.89 1xwe s ILE 1550CO -0.01 0.15 0.36 -0.89 0.00 0.00 0.00 174.94 174.54 1xwe s THR 1551N 1.95 4.70 -0.20 2.92 2.01 -0.55 -5.02 115.64 121.45 1xwe s THR 1551Ca 0.04 -1.37 -0.07 0.00 0.31 0.00 0.00 61.69 60.60 1xwe s THR 1551Cb -0.13 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1xwe s THR 1551CO -0.06 -0.63 0.04 0.54 -0.69 0.00 0.00 174.62 173.82 1xwe s VAL 1552N 1.51 4.43 0.01 3.82 0.11 -1.26 -1.75 120.40 127.27 1xwe s VAL 1552Ca 0.04 -0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1xwe s VAL 1552Cb -0.25 -3.01 -0.00 0.00 -1.53 0.00 0.00 36.38 31.59 1xwe s VAL 1552CO 0.03 0.43 -0.02 1.21 -3.33 0.00 0.00 175.10 173.42 1xwe n GLU 1553N 3.97 0.03 0.13 1.54 4.07 -1.26 -5.08 120.64 124.05 1xwe n GLU 1553Ca -0.17 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 1xwe n GLU 1553Cb 0.52 -0.26 0.00 0.00 -0.06 0.00 0.00 31.44 31.64 1xwe n GLU 1553CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1xwe n ASN 1554N -2.77 -2.41 -0.09 4.31 5.15 -1.26 -5.02 115.26 113.18 1xwe n ASN 1554Ca -0.01 0.64 -0.18 0.00 -0.60 0.00 0.00 54.58 54.43 1xwe n ASN 1554Cb 0.03 2.42 -0.06 0.00 -0.53 0.00 0.00 39.78 41.64 1xwe n ASN 1554CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1xwe n VAL 1555N -3.09 0.95 -3.30 3.44 0.24 -1.26 -4.93 118.33 110.37 1xwe n VAL 1555Ca 0.00 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1xwe n VAL 1555Cb 0.00 -1.68 -0.08 0.00 -1.47 0.00 0.00 33.84 30.60 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xwe s PHE 1556N -2.32 3.18 -0.04 6.34 0.08 -1.26 -3.46 117.98 120.50 1xwe s PHE 1556Ca -0.24 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 56.79 1xwe s PHE 1556Cb 0.09 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.64 1xwe s PHE 1556CO 0.31 -0.58 -0.15 0.54 -0.10 0.00 0.00 175.22 175.24 1xwe s VAL 1557N 2.24 2.99 0.27 -0.44 0.11 -0.96 -4.15 120.40 120.47 1xwe s VAL 1557Ca 0.15 -0.78 0.12 0.00 -2.93 0.00 0.00 61.98 58.54 1xwe s VAL 1557Cb -0.16 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.47 1xwe s VAL 1557CO 0.13 0.57 -0.20 -0.54 -3.33 0.00 0.00 175.10 171.74 1xwe s LYS 1558N -0.78 1.66 -0.20 1.54 1.02 -0.72 -0.51 119.74 121.74 1xwe s LYS 1558Ca 0.12 -1.76 -0.03 0.00 0.02 0.00 0.00 55.97 54.32 1xwe s LYS 1558Cb -0.11 -1.73 0.06 0.00 -0.52 0.00 0.00 37.83 35.54 1xwe s LYS 1558CO 0.01 0.32 0.04 0.71 -0.92 0.00 0.00 175.35 175.51 1xwe s TYR 1559N -2.53 1.04 -0.69 3.18 1.51 0.07 -1.49 117.35 118.45 1xwe s TYR 1559Ca 0.29 -0.91 -0.22 0.00 -1.01 0.00 0.00 57.07 55.22 1xwe s TYR 1559Cb -0.05 -1.06 0.08 0.00 -0.11 0.00 0.00 41.96 40.82 1xwe s TYR 1559CO 0.14 -0.63 0.98 0.15 -1.11 0.00 0.00 175.55 175.09 1xwe s LYS 1560N 1.85 3.17 0.41 -0.62 -0.14 -0.19 -1.81 119.74 122.41 1xwe s LYS 1560Ca -0.00 -0.95 0.08 0.00 -1.36 0.00 0.00 55.97 53.74 1xwe s LYS 1560Cb -0.17 -4.32 -0.02 0.00 -1.68 0.00 0.00 37.83 31.64 1xwe s LYS 1560CO -0.10 -1.81 0.40 0.00 -0.76 0.00 0.00 175.35 173.08 1xwe s ALA 1561N 3.90 4.12 -0.12 5.17 0.00 -0.74 -1.73 121.76 132.35 1xwe s ALA 1561Ca 0.23 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.36 1xwe s ALA 1561Cb -0.16 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.84 1xwe s ALA 1561CO 0.08 -0.22 -0.16 0.99 0.00 0.00 0.00 175.76 176.45 1xwe s THR 1562N -2.44 2.80 -0.79 0.00 2.01 -0.63 -2.84 115.64 113.74 1xwe s THR 1562Ca 0.49 -0.75 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 1xwe s THR 1562Cb -0.04 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.30 1xwe s THR 1562CO 0.29 0.53 1.72 -0.22 -0.69 0.00 0.00 174.62 176.25 1xwe s LEU 1563N 0.38 3.26 0.18 4.42 2.96 -1.15 -1.47 118.68 127.26 1xwe s LEU 1563Ca -0.12 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.21 1xwe s LEU 1563Cb -0.16 -2.55 0.13 0.00 0.50 0.00 0.00 46.19 44.11 1xwe s LEU 1563CO 0.06 -2.26 1.64 -0.07 -1.32 0.00 0.00 176.35 174.40 1xwe h LEU 1564N 15.71 -0.58 -7.00 -0.68 4.07 -1.03 0.16 115.31 125.96 1xwe h LEU 1564Ca -0.08 0.16 0.05 0.00 0.08 0.00 0.00 57.88 58.09 1xwe h LEU 1564Cb 1.07 0.34 -0.20 0.00 1.08 0.00 0.00 40.66 42.95 1xwe h LEU 1564CO 1.26 -0.20 0.45 -0.62 -1.08 0.00 0.00 178.44 178.25 1xwe s ASP 1565N -5.18 -0.44 -0.25 -0.43 -1.08 -0.98 -4.19 116.67 104.12 1xwe s ASP 1565Ca -0.14 0.37 -0.11 0.00 -0.52 0.00 0.00 52.55 52.15 1xwe s ASP 1565Cb 0.16 0.38 -0.05 0.00 -1.46 0.00 0.00 42.92 41.95 1xwe s ASP 1565CO 0.71 -0.48 0.19 -0.63 0.52 0.00 0.00 175.17 175.48 1xwe s ILE 1566N -1.65 5.33 -0.04 4.11 1.01 -1.26 -2.22 121.20 126.47 1xwe s ILE 1566Ca -0.02 0.22 0.22 0.00 0.00 0.00 0.00 60.65 61.07 1xwe s ILE 1566Cb -0.00 -3.53 -0.33 0.00 0.01 0.00 0.00 42.46 38.60 1xwe s ILE 1566CO 0.01 0.30 0.46 -1.22 0.00 0.00 0.00 174.94 174.48 1xwe n TYR 1567N 4.61 0.01 -3.66 3.97 4.01 -0.51 -4.91 117.16 120.69 1xwe n TYR 1567Ca -0.14 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.53 1xwe n TYR 1567Cb 0.52 -0.54 -0.08 0.00 -0.31 0.00 0.00 39.34 38.92 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 -3.44 0.44 0.79 -0.72 2.36 0.62 -4.84 119.74 114.95 1xwe s LYS 1568Ca -0.08 1.10 -0.16 0.00 -2.55 0.00 0.00 55.97 54.28 1xwe s LYS 1568Cb 0.13 0.36 -0.08 0.00 -1.05 0.00 0.00 37.83 37.20 1xwe s LYS 1568CO 0.90 -0.21 0.01 2.41 1.55 0.00 0.00 175.35 180.02 1xwe n THR 1569N 5.06 0.65 1.28 3.43 -1.04 -1.26 -2.18 114.28 120.22 1xwe n THR 1569Ca -0.14 -0.41 0.13 0.00 -2.04 0.00 0.00 64.05 61.59 1xwe n THR 1569Cb 0.52 -0.37 0.38 0.00 -1.82 0.00 0.00 70.33 69.03 1xwe n THR 1569CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwe n GLY 1570N 2.30 0.39 3.03 3.41 0.00 -1.26 -3.58 105.19 109.48 1xwe n GLY 1570Ca 0.06 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1xwe n GLY 1570CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwe n GLU 1571N 0.58 -1.71 -2.93 1.61 1.02 -1.26 -4.44 120.64 113.51 1xwe n GLU 1571Ca 0.17 0.39 -0.14 0.00 -0.02 0.00 0.00 57.16 57.56 1xwe n GLU 1571Cb 0.43 -4.67 -0.00 0.00 -0.02 0.00 0.00 31.44 27.18 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwe n ALA 1572N 0.92 0.03 -2.96 0.62 0.00 -1.26 -5.02 120.51 112.84 1xwe n ALA 1572Ca 0.00 -2.12 -0.13 0.00 0.00 0.00 0.00 53.44 51.19 1xwe n ALA 1572Cb 0.39 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 1.72 -9.84 -4.11 0.00 0.31 -1.26 -4.87 118.33 100.28 1xwe n VAL 1573Ca 0.15 0.82 -0.35 0.00 -0.01 0.00 0.00 64.34 64.95 1xwe n VAL 1573Cb 0.58 -6.59 -0.13 0.00 -0.91 0.00 0.00 33.84 26.80 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 -2.32 3.00 0.03 3.52 0.00 -1.26 -4.91 121.76 119.81 1xwe s ALA 1574Ca 0.25 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1xwe s ALA 1574Cb -0.06 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 1xwe s ALA 1574CO 0.78 -0.12 -0.08 -1.21 0.00 0.00 0.00 175.76 175.13 1xwe s GLU 1575N 0.94 0.56 0.47 0.00 2.02 -1.26 -4.89 118.70 116.54 1xwe s GLU 1575Ca 0.01 -0.59 -0.24 0.00 0.02 0.00 0.00 54.97 54.17 1xwe s GLU 1575Cb -0.14 -0.43 -0.07 0.00 0.10 0.00 0.00 34.13 33.59 1xwe s GLU 1575CO 0.02 0.10 1.35 0.21 0.02 0.00 0.00 175.26 176.96 1xwe s LYS 1576N -1.08 3.59 -0.84 1.61 2.20 -1.26 -2.23 119.74 121.73 1xwe s LYS 1576Ca -0.05 2.24 -0.04 0.00 -0.36 0.00 0.00 55.97 57.77 1xwe s LYS 1576Cb -0.07 -2.53 0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1xwe s LYS 1576CO 0.00 -0.84 0.16 -0.40 -0.36 0.00 0.00 175.35 173.92 1xwe n ASP 1577N -0.41 -2.86 -2.87 1.43 5.68 0.56 -4.92 116.55 113.16 1xwe n ASP 1577Ca 0.07 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1xwe n ASP 1577Cb 0.44 -2.46 0.00 0.00 -1.14 0.00 0.00 41.12 37.96 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xwe n SER 1578N -1.88 -0.56 -4.27 -1.12 3.41 -0.95 -4.64 113.62 103.62 1xwe n SER 1578Ca -0.05 -0.32 -0.31 0.00 -0.26 0.00 0.00 58.87 57.93 1xwe n SER 1578Cb 0.55 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.34 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xwe s GLU 1579N -1.79 2.47 0.01 4.33 2.12 -1.26 -2.94 118.70 121.63 1xwe s GLU 1579Ca 0.00 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1xwe s GLU 1579Cb 0.00 -2.13 -0.01 0.00 0.26 0.00 0.00 34.13 32.25 1xwe s GLU 1579CO 0.00 0.41 -0.02 0.96 -0.54 0.00 0.00 175.26 176.06 1xwe s ILE 1580N -0.23 0.14 -0.03 -3.70 -4.36 -1.13 -4.97 121.20 106.92 1xwe s ILE 1580Ca -0.02 -0.50 0.05 0.00 -0.26 0.00 0.00 60.65 59.93 1xwe s ILE 1580Cb -0.13 -0.20 -0.01 0.00 1.25 0.00 0.00 42.46 43.37 1xwe s ILE 1580CO 0.03 -0.23 -0.18 -0.89 0.24 0.00 0.00 174.94 173.90 1xwe s THR 1581N -0.75 1.49 -0.15 8.37 2.01 -1.26 -1.80 115.64 123.55 1xwe s THR 1581Ca -0.07 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1xwe s THR 1581Cb -0.05 -1.25 0.02 0.00 0.01 0.00 0.00 72.50 71.23 1xwe s THR 1581CO -0.00 0.42 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.84 1xwe s PHE 1582N -0.25 2.24 0.30 4.92 0.40 -0.75 -1.40 117.98 123.44 1xwe s PHE 1582Ca 0.03 -1.25 -0.09 0.00 -0.60 0.00 0.00 56.93 55.01 1xwe s PHE 1582Cb -0.09 -1.63 -0.07 0.00 0.51 0.00 0.00 43.02 41.74 1xwe s PHE 1582CO 0.01 -0.67 0.63 0.42 0.70 0.00 0.00 175.22 176.31 1xwe s ILE 1583N 1.42 4.88 -0.03 0.64 -1.09 -0.83 -0.75 121.20 125.43 1xwe s ILE 1583Ca 0.04 0.46 -0.09 0.00 -2.23 0.00 0.00 60.65 58.83 1xwe s ILE 1583Cb -0.13 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1xwe s ILE 1583CO -0.10 -0.27 0.21 -0.75 -1.23 0.00 0.00 174.94 172.80 1xwe s LYS 1584N -3.30 0.45 0.58 2.79 2.20 0.33 -3.09 119.74 119.70 1xwe s LYS 1584Ca 0.48 -0.10 0.10 0.00 -0.36 0.00 0.00 55.97 56.10 1xwe s LYS 1584Cb -0.11 0.20 0.09 0.00 -1.51 0.00 0.00 37.83 36.50 1xwe s LYS 1584CO 0.26 -0.10 0.80 0.15 -0.36 0.00 0.00 175.35 176.09 1xwe s LYS 1585N -0.84 2.27 0.45 4.03 -0.14 -1.26 -2.26 119.74 121.99 1xwe s LYS 1585Ca -0.09 -1.68 0.25 0.00 -1.36 0.00 0.00 55.97 53.09 1xwe s LYS 1585Cb -0.05 -2.63 0.78 0.00 -1.68 0.00 0.00 37.83 34.25 1xwe s LYS 1585CO 0.02 -0.90 1.76 -0.39 -0.76 0.00 0.00 175.35 175.08 1xwe h VAL 1586N 0.16 0.31 -0.17 3.17 -1.51 -1.93 -3.16 116.25 113.10 1xwe h VAL 1586Ca -0.29 -1.07 -0.19 0.00 -1.23 0.00 0.00 66.70 63.91 1xwe h VAL 1586Cb 1.29 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.30 1xwe h VAL 1586CO 0.41 0.14 -0.67 0.71 -1.23 0.00 0.00 177.57 176.93 1xwe h THR 1587N 0.00 1.31 -0.56 7.19 1.35 -1.95 -3.39 112.91 116.86 1xwe h THR 1587Ca -0.00 -1.93 -0.25 0.00 -0.55 0.00 0.00 66.41 63.68 1xwe h THR 1587Cb 0.83 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 69.11 1xwe h THR 1587CO 0.02 0.60 0.69 0.00 -0.25 0.00 0.00 175.52 176.59 1xwe n THR 1589N 8.05 1.41 0.28 0.00 -1.04 -1.26 -4.27 114.28 117.45 1xwe n THR 1589Ca 0.42 -0.76 0.17 0.00 -2.04 0.00 0.00 64.05 61.84 1xwe n THR 1589Cb 0.46 -0.77 0.73 0.00 -1.82 0.00 0.00 70.33 68.94 1xwe n THR 1589CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1xwe h ASN 1590N 0.00 0.00 -3.40 8.00 -0.00 -1.81 -3.42 115.58 114.95 1xwe h ASN 1590Ca -0.56 0.00 -0.59 0.00 -0.00 0.00 0.00 56.30 55.16 1xwe h ASN 1590Cb 2.13 0.00 -0.09 0.00 -0.00 0.00 0.00 38.32 40.36 1xwe h ASN 1590CO -0.01 0.02 -0.04 0.00 -0.00 0.00 0.00 177.43 177.41 1xwe s ALA 1591N -3.74 3.50 -0.27 1.57 0.00 -1.23 -4.27 121.76 117.32 1xwe s ALA 1591Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.48 1xwe s ALA 1591Cb 0.10 -2.79 0.08 0.00 0.00 0.00 0.00 23.12 20.50 1xwe s ALA 1591CO 0.54 -0.27 0.74 -1.83 0.00 0.00 0.00 175.76 174.93 1xwe s GLU 1592N 1.25 0.77 0.40 0.00 1.03 -1.26 -5.02 118.70 115.87 1xwe s GLU 1592Ca 0.27 1.03 0.07 0.00 0.03 0.00 0.00 54.97 56.36 1xwe s GLU 1592Cb -0.16 0.32 -0.08 0.00 -0.80 0.00 0.00 34.13 33.42 1xwe s GLU 1592CO 0.11 -0.11 0.01 -0.51 -1.33 0.00 0.00 175.26 173.43 1xwe s LEU 1593N 0.73 2.80 -0.01 1.83 1.02 -1.26 -5.06 118.68 118.73 1xwe s LEU 1593Ca -0.03 -1.37 0.07 0.00 0.02 0.00 0.00 54.13 52.82 1xwe s LEU 1593Cb -0.05 -0.84 -0.02 0.00 0.02 0.00 0.00 46.19 45.30 1xwe s LEU 1593CO -0.05 -0.47 -0.21 -0.69 0.02 0.00 0.00 176.35 174.95 1xwe s VAL 1594N -2.78 1.67 -0.42 -1.59 1.01 -1.26 -5.09 120.40 111.94 1xwe s VAL 1594Ca 0.35 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1xwe s VAL 1594Cb 0.10 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1xwe s VAL 1594CO 0.18 0.44 1.38 -0.75 0.00 0.00 0.00 175.10 176.35 1xwe s LYS 1595N -0.57 3.60 0.00 2.72 2.20 -1.26 -3.18 119.74 123.25 1xwe s LYS 1595Ca 0.08 0.89 0.00 0.00 -0.36 0.00 0.00 55.97 56.58 1xwe s LYS 1595Cb -0.08 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 1xwe s LYS 1595CO -0.01 -1.54 0.00 0.41 -0.36 0.00 0.00 175.35 173.85 1xwe n GLY 1596N 5.04 2.21 3.78 5.54 0.00 -0.10 -4.98 105.19 116.68 1xwe n GLY 1596Ca 0.16 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 1.45 0.01 1.61 0.52 -1.19 -4.81 118.95 116.54 1xwe s ARG 1597Ca 0.00 0.48 0.04 0.00 -0.52 0.00 0.00 55.73 55.73 1xwe s ARG 1597Cb 0.00 -1.86 -0.03 0.00 0.52 0.00 0.00 34.95 33.58 1xwe s ARG 1597CO 0.00 -2.02 -0.09 -0.65 0.02 0.00 0.00 175.30 172.55 1xwe s GLN 1598N -5.18 2.44 -0.01 3.54 -0.21 -1.25 -2.85 119.66 116.14 1xwe s GLN 1598Ca 0.63 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 1xwe s GLN 1598Cb -0.15 -2.43 -0.00 0.00 1.00 0.00 0.00 33.01 31.43 1xwe s GLN 1598CO 0.54 0.59 0.04 0.71 -2.12 0.00 0.00 175.29 175.05 1xwe s TYR 1599N -0.98 0.01 -0.02 0.91 2.02 -0.56 -1.17 117.35 117.56 1xwe s TYR 1599Ca 0.16 -0.01 -0.22 0.00 -0.37 0.00 0.00 57.07 56.64 1xwe s TYR 1599Cb -0.11 -0.02 -0.05 0.00 -0.40 0.00 0.00 41.96 41.38 1xwe s TYR 1599CO 0.07 -0.07 0.65 -1.17 -1.57 0.00 0.00 175.55 173.46 1xwe s LEU 1600N -0.30 4.39 -0.05 -1.29 2.96 -0.60 -2.20 118.68 121.58 1xwe s LEU 1600Ca -0.04 1.20 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 1xwe s LEU 1600Cb -0.02 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.67 1xwe s LEU 1600CO -0.00 0.02 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.32 1xwe s ILE 1601N 0.17 0.91 -0.09 6.68 1.01 -0.86 -1.81 121.20 127.20 1xwe s ILE 1601Ca 0.34 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1xwe s ILE 1601Cb -0.18 -0.85 0.04 0.00 0.01 0.00 0.00 42.46 41.48 1xwe s ILE 1601CO 0.18 0.30 0.20 -0.04 0.00 0.00 0.00 174.94 175.58 1xwe s MET 1602N 0.66 0.15 -0.08 2.79 -1.94 -0.57 -2.29 119.30 118.02 1xwe s MET 1602Ca -0.12 0.48 -0.31 0.00 -1.71 0.00 0.00 55.69 54.02 1xwe s MET 1602Cb -0.14 -0.15 0.12 0.00 2.01 0.00 0.00 34.83 36.67 1xwe s MET 1602CO 0.02 -0.17 1.38 0.20 -0.01 0.00 0.00 175.02 176.44 1xwe s GLY 1603N 1.31 -0.33 1.04 -0.03 0.00 -0.84 -1.66 107.32 106.81 1xwe s GLY 1603Ca -0.08 0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.97 1xwe s GLY 1603CO -0.07 3.69 0.24 0.58 0.00 0.00 0.00 173.10 177.54 1xwe n LYS 1604N -0.75 -1.00 -1.30 2.90 -0.00 -1.17 -0.66 118.16 116.17 1xwe n LYS 1604Ca -0.01 -0.26 -0.35 0.00 -0.00 0.00 0.00 58.31 57.69 1xwe n LYS 1604Cb 0.61 -1.80 0.11 0.00 -0.00 0.00 0.00 35.03 33.95 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xwe n GLU 1605N -2.02 0.46 -0.52 -1.58 0.28 -1.26 -4.57 120.64 111.43 1xwe n GLU 1605Ca 0.04 0.22 -0.28 0.00 -0.16 0.00 0.00 57.16 56.98 1xwe n GLU 1605Cb 0.58 -2.41 0.25 0.00 1.43 0.00 0.00 31.44 31.29 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe s ALA 1606N -1.89 -0.51 1.32 -1.84 0.00 -1.26 -5.00 121.76 112.58 1xwe s ALA 1606Ca 0.75 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 1xwe s ALA 1606Cb -0.32 -3.26 0.27 0.00 0.00 0.00 0.00 23.12 19.81 1xwe s ALA 1606CO 0.48 -3.88 0.65 1.28 0.00 0.00 0.00 175.76 174.30 1xwe n LEU 1607N -4.95 0.00 -3.22 0.00 4.32 -0.92 -4.89 117.00 107.33 1xwe n LEU 1607Ca 0.03 -0.67 -0.02 0.00 -0.02 0.00 0.00 56.01 55.34 1xwe n LEU 1607Cb 0.54 -0.72 -0.02 0.00 -1.62 0.00 0.00 43.42 41.60 1xwe n LEU 1607CO 0.57 -2.36 0.05 -1.58 -1.22 0.00 0.00 177.39 172.85 1xwe s GLN 1608N -4.55 0.70 0.00 3.23 0.74 -1.26 -4.32 119.66 114.19 1xwe s GLN 1608Ca 0.49 -0.11 0.13 0.00 0.05 0.00 0.00 55.36 55.92 1xwe s GLN 1608Cb -0.08 -0.01 -0.20 0.00 1.10 0.00 0.00 33.01 33.82 1xwe s GLN 1608CO 0.40 -1.14 0.78 0.97 -0.55 0.00 0.00 175.29 175.75 1xwe h ILE 1609N 5.36 0.87 -3.42 -2.34 6.09 -1.90 -3.49 117.51 118.67 1xwe h ILE 1609Ca 0.02 -2.63 -0.22 0.00 -1.37 0.00 0.00 64.86 60.67 1xwe h ILE 1609Cb 1.16 2.39 -0.05 0.00 0.47 0.00 0.00 36.82 40.78 1xwe h ILE 1609CO 0.14 0.49 -0.16 0.29 -3.07 0.00 0.00 178.15 175.84 1xwe n LYS 1610N -3.05 0.37 0.00 2.19 4.76 -1.26 -4.94 118.16 116.23 1xwe n LYS 1610Ca -0.13 -1.84 0.00 0.00 -2.87 0.00 0.00 58.31 53.47 1xwe n LYS 1610Cb 0.99 1.67 0.00 0.00 -1.84 0.00 0.00 35.03 35.85 1xwe n LYS 1610CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1xwe n TYR 1611N -0.37 0.00 0.00 2.13 4.01 -1.26 -4.46 117.16 117.21 1xwe n TYR 1611Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1xwe n TYR 1611Cb 0.36 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1xwe n TYR 1611CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xwe n ASN 1612N -2.26 0.00 -0.09 7.72 3.02 -1.26 -4.44 115.26 117.95 1xwe n ASN 1612Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 1xwe n ASN 1612Cb 0.00 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 39.71 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe h ALA 1613N 0.00 2.15 0.00 5.41 0.00 -2.03 -3.32 119.26 121.47 1xwe h ALA 1613Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1xwe h ALA 1613Cb 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.61 1xwe h ALA 1613CO 0.00 -0.31 -0.28 0.43 0.00 0.00 0.00 179.25 179.10 1xwe n SER 1614N -4.45 -1.12 -4.74 0.00 7.64 -1.26 -5.13 113.62 104.55 1xwe n SER 1614Ca 0.11 -2.02 -0.42 0.00 1.01 0.00 0.00 58.87 57.55 1xwe n SER 1614Cb 0.47 0.42 -0.01 0.00 -1.01 0.00 0.00 64.21 64.07 1xwe n SER 1614CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1xwe n PHE 1615N -0.50 2.75 -3.66 1.43 -1.74 -1.25 -4.37 117.46 110.12 1xwe n PHE 1615Ca -0.24 0.37 -0.28 0.00 -0.56 0.00 0.00 57.45 56.74 1xwe n PHE 1615Cb 0.75 -2.54 -0.12 0.00 1.52 0.00 0.00 39.48 39.09 1xwe n PHE 1615CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1xwe s ARG 1616N -1.16 1.54 -1.34 3.97 0.52 -1.26 -4.89 118.95 116.33 1xwe s ARG 1616Ca 0.60 -2.49 -0.17 0.00 -0.52 0.00 0.00 55.73 53.15 1xwe s ARG 1616Cb -0.52 -2.36 0.05 0.00 0.52 0.00 0.00 34.95 32.65 1xwe s ARG 1616CO 0.55 -1.29 1.90 0.66 0.02 0.00 0.00 175.30 177.14 1xwe n TYR 1617N 2.76 4.23 -2.45 -0.53 4.01 -1.26 -4.30 117.16 119.62 1xwe n TYR 1617Ca 0.20 -2.83 -0.24 0.00 -0.16 0.00 0.00 57.90 54.87 1xwe n TYR 1617Cb 0.40 -2.60 0.08 0.00 -0.31 0.00 0.00 39.34 36.91 1xwe n TYR 1617CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1xwe s ILE 1618N 4.10 2.31 -0.06 -0.72 -4.36 -1.26 -4.72 121.20 116.49 1xwe s ILE 1618Ca 0.52 -0.48 0.03 0.00 -0.26 0.00 0.00 60.65 60.45 1xwe s ILE 1618Cb 0.07 -2.83 0.01 0.00 1.25 0.00 0.00 42.46 40.96 1xwe s ILE 1618CO 0.03 0.00 -0.13 -0.31 0.24 0.00 0.00 174.94 174.77 1xwe s TYR 1619N -3.12 1.45 1.11 1.37 1.51 -0.49 -2.17 117.35 117.01 1xwe s TYR 1619Ca 0.63 -0.51 -0.18 0.00 -1.01 0.00 0.00 57.07 55.99 1xwe s TYR 1619Cb -0.08 -1.05 0.26 0.00 -0.11 0.00 0.00 41.96 40.98 1xwe s TYR 1619CO 0.43 -0.25 1.24 -1.25 -1.11 0.00 0.00 175.55 174.61 1xwe s PRO 1620N 0.55 -0.50 -0.05 -1.71 0.04 -1.26 -1.97 135.00 130.09 1xwe s PRO 1620Ca -0.13 -0.34 0.12 0.00 0.04 0.00 0.00 61.00 60.69 1xwe s PRO 1620Cb -0.15 -1.71 0.22 0.00 0.04 0.00 0.00 34.50 32.90 1xwe s PRO 1620CO 0.03 -3.19 1.10 1.28 0.04 0.00 0.00 177.00 176.27 1xwe n LEU 1621N -4.33 1.08 0.00 -3.56 4.77 -1.18 -4.66 117.00 109.13 1xwe n LEU 1621Ca 0.16 -2.05 -0.16 0.00 -0.03 0.00 0.00 56.01 53.93 1xwe n LEU 1621Cb 0.59 -0.16 0.14 0.00 -2.33 0.00 0.00 43.42 41.67 1xwe n LEU 1621CO 0.43 0.55 0.28 -0.90 -1.33 0.00 0.00 177.39 176.42 1xwe n ASP 1622N -0.33 -2.12 0.27 -1.43 5.68 -1.26 -2.74 116.55 114.62 1xwe n ASP 1622Ca 0.07 -0.72 0.16 0.00 -0.50 0.00 0.00 54.79 53.80 1xwe n ASP 1622Cb 0.79 -0.53 0.60 0.00 -1.14 0.00 0.00 41.12 40.85 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1xwe h SER 1623N -2.24 0.00 -0.07 -1.12 4.64 -1.86 -3.14 113.55 109.75 1xwe h SER 1623Ca -0.22 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1xwe h SER 1623Cb 0.68 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1xwe h SER 1623CO 0.14 0.00 0.03 0.25 -0.87 0.00 0.00 176.83 176.37 1xwe h LEU 1624N 0.00 0.11 -8.46 5.97 6.46 -1.95 -3.41 115.31 114.02 1xwe h LEU 1624Ca -0.00 -0.18 -0.50 0.00 -0.12 0.00 0.00 57.88 57.08 1xwe h LEU 1624Cb 0.59 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1xwe h LEU 1624CO 0.00 0.25 1.64 0.41 -0.62 0.00 0.00 178.44 180.12 1xwe n THR 1625N -4.93 -0.01 -1.72 1.05 -1.04 -1.19 -4.83 114.28 101.59 1xwe n THR 1625Ca -0.06 -0.51 -0.40 0.00 -2.04 0.00 0.00 64.05 61.04 1xwe n THR 1625Cb 0.12 -2.05 -0.03 0.00 -1.82 0.00 0.00 70.33 66.55 1xwe n THR 1625CO 0.00 0.00 0.00 0.86 -0.64 0.00 0.00 175.07 175.29 1xwe s TRP 1626N 10.59 1.32 -0.04 -1.42 -0.11 -0.66 -4.90 118.94 123.72 1xwe s TRP 1626Ca 1.10 0.92 0.05 0.00 1.22 0.00 0.00 56.10 59.39 1xwe s TRP 1626Cb -0.55 -3.88 -0.01 0.00 -1.50 0.00 0.00 33.47 27.53 1xwe s TRP 1626CO 0.35 -3.14 -0.20 0.42 -4.62 0.00 0.00 176.95 169.77 1xwe s ILE 1627N 9.40 1.63 0.08 5.86 1.01 -1.25 -1.51 121.20 136.41 1xwe s ILE 1627Ca 0.91 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1xwe s ILE 1627Cb -0.23 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.82 1xwe s ILE 1627CO 0.30 0.46 -0.08 -1.61 0.00 0.00 0.00 174.94 174.02 1xwe s GLU 1628N -0.15 0.73 -0.33 2.79 2.02 -0.75 -4.02 118.70 118.98 1xwe s GLU 1628Ca -0.01 -1.11 -0.24 0.00 0.02 0.00 0.00 54.97 53.63 1xwe s GLU 1628Cb -0.11 -0.29 0.01 0.00 0.10 0.00 0.00 34.13 33.84 1xwe s GLU 1628CO 0.02 0.02 0.81 -0.47 0.02 0.00 0.00 175.26 175.66 1xwe s TYR 1629N -2.68 3.15 -0.51 1.61 5.04 -1.26 -1.56 117.35 121.15 1xwe s TYR 1629Ca 0.03 0.73 -0.16 0.00 -2.44 0.00 0.00 57.07 55.23 1xwe s TYR 1629Cb -0.01 -3.35 0.09 0.00 0.35 0.00 0.00 41.96 39.04 1xwe s TYR 1629CO -0.02 -0.66 0.48 -0.46 -1.34 0.00 0.00 175.55 173.54 1xwe s TRP 1630N 3.10 3.20 -0.73 4.97 -0.11 -0.32 -4.90 118.94 124.15 1xwe s TRP 1630Ca 0.33 -0.98 -0.28 0.00 1.22 0.00 0.00 56.10 56.39 1xwe s TRP 1630Cb -0.13 -3.47 -0.14 0.00 -1.50 0.00 0.00 33.47 28.22 1xwe s TRP 1630CO 0.15 -0.93 2.53 -2.30 -4.62 0.00 0.00 176.95 171.78 1xwe n PRO 1631N 5.44 0.56 0.30 5.86 -0.02 -1.26 -3.88 135.00 141.99 1xwe n PRO 1631Ca -0.12 -0.04 0.16 0.00 -2.02 0.00 0.00 63.50 61.48 1xwe n PRO 1631Cb 0.43 -2.58 0.93 0.00 -0.02 0.00 0.00 33.50 32.25 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 15.99 0.00 -5.24 -0.52 2.43 -1.95 -3.40 114.38 121.69 1xwe h ARG 1632Ca -0.14 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.38 1xwe h ARG 1632Cb 1.27 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.59 1xwe h ARG 1632CO 1.26 0.02 -0.69 -0.51 -1.51 0.00 0.00 179.97 178.55 1xwe s ASP 1633N -6.01 4.63 0.04 -3.80 1.01 -1.26 -4.98 116.67 106.30 1xwe s ASP 1633Ca -0.05 -0.20 0.20 0.00 0.71 0.00 0.00 52.55 53.21 1xwe s ASP 1633Cb 0.14 -1.76 -0.17 0.00 1.01 0.00 0.00 42.92 42.14 1xwe s ASP 1633CO 0.53 0.13 0.69 0.35 0.21 0.00 0.00 175.17 177.08 1xwe n THR 1634N 3.78 0.79 0.00 -1.27 -2.24 -1.26 -4.96 114.28 109.12 1xwe n THR 1634Ca -0.18 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1xwe n THR 1634Cb 0.52 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 -2.67 0.00 -4.18 4.28 -2.24 -1.26 -4.59 114.28 103.62 1xwe n THR 1635Ca -0.09 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 1xwe n THR 1635Cb 0.75 0.00 -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 -1.33 2.57 -0.03 0.00 7.64 -1.26 -4.60 113.62 116.61 1xwe n SER 1637Ca 0.04 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.89 1xwe n SER 1637Cb 0.62 1.07 -0.14 0.00 -1.01 0.00 0.00 64.21 64.76 1xwe n SER 1637CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xwe n SER 1638N -2.14 0.34 -4.00 6.43 7.64 -1.26 -4.90 113.62 115.73 1xwe n SER 1638Ca -0.10 0.15 -0.25 0.00 1.01 0.00 0.00 58.87 59.68 1xwe n SER 1638Cb 0.58 0.85 -0.17 0.00 -1.01 0.00 0.00 64.21 64.46 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe n GLN 1640N 4.04 0.00 0.00 0.00 1.13 -1.26 -3.73 117.38 117.56 1xwe n GLN 1640Ca -0.21 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 1xwe n GLN 1640Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xwe n ALA 1641N -3.00 0.00 0.58 -1.58 0.00 -1.26 -4.88 120.51 110.37 1xwe n ALA 1641Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1xwe n ALA 1641Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 0.00 0.00 1.18 0.00 7.35 -1.26 -4.36 117.46 120.38 1xwe n PHE 1642Ca 0.00 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1xwe n PHE 1642Cb 0.00 0.00 0.64 0.00 0.35 0.00 0.00 39.48 40.47 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 -0.62 0.00 0.12 -2.13 7.99 -1.26 -3.28 117.00 117.82 1xwe n LEU 1643Ca 0.04 0.31 -0.23 0.00 -0.01 0.00 0.00 56.01 56.13 1xwe n LEU 1643Cb 0.24 -0.31 -0.14 0.00 -0.11 0.00 0.00 43.42 43.10 1xwe n LEU 1643CO 0.20 -0.04 -0.14 0.00 -1.51 0.00 0.00 177.39 175.89 1xwe h ALA 1644N 3.18 -0.06 -0.00 -1.18 0.00 -1.96 -2.79 119.26 116.44 1xwe h ALA 1644Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1xwe h ALA 1644Cb 0.27 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1xwe h ALA 1644CO 0.00 0.72 -0.22 0.09 0.00 0.00 0.00 179.25 179.84 1xwe n ASN 1645N -3.73 0.47 -0.05 0.00 3.02 -1.21 -3.61 115.26 110.16 1xwe n ASN 1645Ca -0.15 -0.33 -0.09 0.00 -0.03 0.00 0.00 54.58 53.98 1xwe n ASN 1645Cb 1.04 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 40.03 1xwe n ASN 1645CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1xwe n LEU 1646N -1.16 0.64 -0.05 3.41 4.77 -1.22 -3.49 117.00 119.90 1xwe n LEU 1646Ca 0.10 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1xwe n LEU 1646Cb 0.31 0.24 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 1xwe n LEU 1646CO 0.28 0.44 0.48 -0.78 -1.33 0.00 0.00 177.39 176.48 1xwe h ASP 1647N 0.00 0.55 -0.49 -1.43 3.58 -1.57 -2.75 116.42 114.31 1xwe h ASP 1647Ca -0.38 -0.57 -0.11 0.00 0.42 0.00 0.00 57.03 56.39 1xwe h ASP 1647Cb 2.09 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.97 1xwe h ASP 1647CO 0.06 1.01 -0.09 -0.33 -2.88 0.00 0.00 179.24 177.01 1xwe h GLU 1648N 0.10 0.96 0.00 0.28 5.08 -1.75 -2.50 114.58 116.76 1xwe h GLU 1648Ca -0.00 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.01 1xwe h GLU 1648Cb 0.94 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1xwe h GLU 1648CO 0.07 1.00 -0.08 0.35 -1.00 0.00 0.00 179.01 179.36 1xwe h PHE 1649N 0.86 0.00 0.36 4.33 3.57 -1.59 -1.08 116.94 123.40 1xwe h PHE 1649Ca 0.14 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1xwe h PHE 1649Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1xwe h PHE 1649CO 0.04 0.08 -0.17 0.00 -2.23 0.00 0.00 178.31 176.02 1xwe h ALA 1650N 1.92 -0.48 -0.11 2.41 0.00 -1.13 -3.07 119.26 118.79 1xwe h ALA 1650Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1xwe h ALA 1650Cb 0.35 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xwe h ALA 1650CO 0.01 -0.47 -0.30 1.05 0.00 0.00 0.00 179.25 179.54 1xwe h GLU 1651N -1.09 0.21 0.32 0.00 4.11 -1.51 -2.48 114.58 114.14 1xwe h GLU 1651Ca -0.05 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.29 1xwe h GLU 1651Cb 0.43 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xwe h GLU 1651CO 0.08 0.50 -0.22 0.22 0.07 0.00 0.00 179.01 179.66 1xwe h ASP 1652N 0.19 -0.56 -0.18 3.06 3.58 -1.29 0.50 116.42 121.71 1xwe h ASP 1652Ca 0.03 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 1xwe h ASP 1652Cb 0.63 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1xwe h ASP 1652CO 0.05 -0.32 0.08 -0.29 -2.88 0.00 0.00 179.24 175.87 1xwe h ILE 1653N -0.51 1.11 -0.18 2.25 6.09 -1.60 0.70 117.51 125.37 1xwe h ILE 1653Ca -0.04 -0.35 -0.17 0.00 -1.37 0.00 0.00 64.86 62.93 1xwe h ILE 1653Cb 0.42 0.85 -0.00 0.00 0.47 0.00 0.00 36.82 38.55 1xwe h ILE 1653CO 0.03 0.13 -0.58 0.15 -3.07 0.00 0.00 178.15 174.81 1xwe h PHE 1654N 0.33 0.73 0.00 2.19 3.04 -1.30 -3.23 116.94 118.70 1xwe h PHE 1654Ca 0.08 -0.27 0.00 0.00 3.98 0.00 0.00 57.97 61.76 1xwe h PHE 1654Cb 0.10 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.48 1xwe h PHE 1654CO 0.00 1.01 -0.03 1.28 -2.02 0.00 0.00 178.31 178.56 1xwe n LEU 1655N -3.95 0.06 0.00 0.59 4.77 0.17 -4.82 117.00 113.82 1xwe n LEU 1655Ca -0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1xwe n LEU 1655Cb 0.62 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1xwe n LEU 1655CO 0.48 -0.49 0.47 0.59 -1.33 0.00 0.00 177.39 177.11 1xwe n ASN 1656N -2.50 0.00 -0.49 -1.43 5.03 0.24 -5.03 115.26 111.08 1xwe n ASN 1656Ca -0.00 0.95 0.00 0.00 0.87 0.00 0.00 54.58 56.40 1xwe n ASN 1656Cb 0.01 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xwe n GLY 1657N -0.95 -3.22 0.00 7.41 0.00 -0.74 -4.98 105.19 102.71 1xwe n GLY 1657Ca 0.00 -1.15 0.06 0.00 0.00 0.00 0.00 46.02 44.93 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32