#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 1.44 -0.11 1.61 7.64 -1.26 -3.75 113.62 119.18 1xwe n SER 1509Ca 0.00 -1.20 -0.20 0.00 1.01 0.00 0.00 58.87 58.48 1xwe n SER 1509Cb 0.00 0.17 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 1xwe n SER 1509CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1xwe n HIS 1510N -0.24 0.00 0.00 1.43 8.25 -1.26 -4.94 115.22 118.46 1xwe n HIS 1510Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1xwe n HIS 1510Cb 0.39 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 30.66 1xwe n HIS 1510CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1xwe n MET 1511N -3.59 0.00 -2.66 -0.41 0.00 -1.26 -5.15 117.12 104.05 1xwe n MET 1511Ca -0.42 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.29 1xwe n MET 1511Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 33.22 34.08 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe n ALA 1512N -2.59 -1.34 -2.01 -5.12 0.00 -1.25 -5.08 120.51 103.13 1xwe n ALA 1512Ca 0.00 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 1xwe n ALA 1512Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.44 1xwe n ALA 1512CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1xwe s ASP 1513N -2.03 5.14 -0.52 0.00 -4.77 -1.26 -4.42 116.67 108.81 1xwe s ASP 1513Ca 0.11 0.00 -0.24 0.00 -3.30 0.00 0.00 52.55 49.12 1xwe s ASP 1513Cb -0.00 -2.54 0.04 0.00 -1.09 0.00 0.00 42.92 39.33 1xwe s ASP 1513CO -0.01 -2.58 0.92 0.00 0.70 0.00 0.00 175.17 174.20 1xwe n GLY 1515N 5.06 0.92 3.51 0.00 0.00 -0.53 -3.48 105.19 110.68 1xwe n GLY 1515Ca 0.03 -0.40 -0.50 0.00 0.00 0.00 0.00 46.02 45.14 1xwe n GLY 1515CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xwe n GLN 1516N -0.34 1.31 -2.96 1.61 10.64 -1.25 -3.09 117.38 123.30 1xwe n GLN 1516Ca 0.00 0.39 -0.32 0.00 -1.83 0.00 0.00 57.00 55.24 1xwe n GLN 1516Cb 0.31 -2.53 -0.05 0.00 -0.86 0.00 0.00 30.24 27.10 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1xwe s MET 1517N 5.73 3.97 0.71 2.61 -1.94 -1.26 -4.79 119.30 124.34 1xwe s MET 1517Ca 1.06 0.71 -0.02 0.00 -1.71 0.00 0.00 55.69 55.73 1xwe s MET 1517Cb -0.80 -2.36 0.11 0.00 2.01 0.00 0.00 34.83 33.79 1xwe s MET 1517CO 0.50 0.05 0.98 1.14 -0.01 0.00 0.00 175.02 177.67 1xwe s GLN 1518N -3.31 1.79 0.62 2.03 -2.07 -1.26 -5.07 119.66 112.38 1xwe s GLN 1518Ca 0.55 -0.97 -0.15 0.00 -1.82 0.00 0.00 55.36 52.97 1xwe s GLN 1518Cb -0.10 -2.32 -0.02 0.00 -1.09 0.00 0.00 33.01 29.48 1xwe s GLN 1518CO 0.21 -1.37 1.08 -1.21 -1.32 0.00 0.00 175.29 172.68 1xwe s GLU 1519N -5.13 3.11 -0.04 9.60 0.41 -1.26 -4.99 118.70 120.40 1xwe s GLU 1519Ca 0.65 1.27 -0.24 0.00 -0.41 0.00 0.00 54.97 56.24 1xwe s GLU 1519Cb -0.06 -2.00 -0.04 0.00 -1.78 0.00 0.00 34.13 30.25 1xwe s GLU 1519CO 0.44 -0.99 0.72 -2.00 -0.49 0.00 0.00 175.26 172.94 1xwe s GLU 1520N -4.10 4.45 -1.84 1.61 2.12 -1.26 -3.74 118.70 115.93 1xwe s GLU 1520Ca 0.65 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.91 1xwe s GLU 1520Cb -0.18 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.78 1xwe s GLU 1520CO 0.39 0.11 0.00 1.28 -0.54 0.00 0.00 175.26 176.50 1xwe n LEU 1521N 3.57 -1.53 -4.56 2.70 4.77 -1.26 -4.85 117.00 115.84 1xwe n LEU 1521Ca -0.01 0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.83 1xwe n LEU 1521Cb 0.51 -2.68 -0.04 0.00 -2.33 0.00 0.00 43.42 38.88 1xwe n LEU 1521CO 0.47 -0.67 1.90 -0.67 -1.33 0.00 0.00 177.39 177.09 1xwe n ASP 1522N -1.47 2.78 -4.30 -1.43 2.03 -1.25 -4.91 116.55 108.00 1xwe n ASP 1522Ca -0.20 0.08 -0.46 0.00 0.52 0.00 0.00 54.79 54.73 1xwe n ASP 1522Cb 0.64 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 39.49 1xwe n ASP 1522CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xwe s LEU 1523N 9.05 6.19 0.00 -2.67 1.43 -1.26 -4.44 118.68 126.98 1xwe s LEU 1523Ca 1.03 -1.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1xwe s LEU 1523Cb -0.41 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.62 1xwe s LEU 1523CO 0.36 -0.81 0.00 1.07 0.23 0.00 0.00 176.35 177.20 1xwe n THR 1524N 5.09 0.00 -3.00 5.49 5.66 -1.26 -5.14 114.28 121.12 1xwe n THR 1524Ca -0.11 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.50 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 0.00 4.56 0.26 1.09 1.01 -1.26 -5.06 121.20 121.80 1xwe s ILE 1525Ca 0.00 1.64 -0.08 0.00 0.00 0.00 0.00 60.65 62.21 1xwe s ILE 1525Cb 0.00 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.29 1xwe s ILE 1525CO 0.00 0.45 0.57 -0.44 0.00 0.00 0.00 174.94 175.52 1xwe s SER 1526N -0.62 6.56 0.10 3.58 0.01 -1.26 -5.01 113.70 117.05 1xwe s SER 1526Ca 0.37 0.87 -0.29 0.00 1.31 0.00 0.00 55.95 58.21 1xwe s SER 1526Cb -0.22 -2.21 -0.12 0.00 0.21 0.00 0.00 66.02 63.69 1xwe s SER 1526CO 0.24 -0.14 1.64 0.00 0.41 0.00 0.00 173.24 175.39 1xwe h ALA 1527N 2.16 -0.57 -0.99 1.44 0.00 -1.98 -2.05 119.26 117.28 1xwe h ALA 1527Ca -0.47 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.43 1xwe h ALA 1527Cb 1.18 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 19.31 1xwe h ALA 1527CO 0.68 -0.85 0.64 1.05 0.00 0.00 0.00 179.25 180.76 1xwe h GLU 1528N -0.57 1.11 -1.00 0.00 4.11 -1.95 -0.99 114.58 115.29 1xwe h GLU 1528Ca -0.00 -0.07 0.06 0.00 0.07 0.00 0.00 59.36 59.42 1xwe h GLU 1528Cb 0.54 -0.25 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 1xwe h GLU 1528CO -0.08 0.73 0.65 1.15 0.07 0.00 0.00 179.01 181.54 1xwe h THR 1529N 1.14 1.10 0.00 -1.06 2.02 -1.85 0.12 112.91 114.39 1xwe h THR 1529Ca 0.43 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 1xwe h THR 1529Cb 0.19 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1xwe h THR 1529CO -0.18 0.22 -0.39 -0.09 0.37 0.00 0.00 175.52 175.45 1xwe h ARG 1530N 1.18 0.00 0.00 6.66 2.43 -0.62 -3.13 114.38 120.90 1xwe h ARG 1530Ca 0.43 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.51 1xwe h ARG 1530Cb 0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1xwe h ARG 1530CO -0.17 0.39 -0.42 -0.22 -1.51 0.00 0.00 179.97 178.04 1xwe h LYS 1531N 0.00 0.00 0.00 0.20 1.63 0.12 -2.88 116.57 115.64 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 1.17 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1xwe h LYS 1531CO 0.05 0.42 0.00 1.04 -3.45 0.00 0.00 179.45 177.51 1xwe n GLN 1532N -3.25 0.89 0.00 1.90 6.02 -0.12 -3.06 117.38 119.76 1xwe n GLN 1532Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1xwe n GLN 1532Cb 0.67 -1.24 0.00 0.00 1.02 0.00 0.00 30.24 30.68 1xwe n GLN 1532CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1xwe n THR 1533N -0.74 0.00 1.71 5.09 -1.04 -1.15 -4.46 114.28 113.69 1xwe n THR 1533Ca 0.10 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.23 1xwe n THR 1533Cb 0.05 -0.25 0.71 0.00 -1.82 0.00 0.00 70.33 69.02 1xwe n THR 1533CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwe n ALA 1534N -1.56 2.50 -0.00 2.41 0.00 -1.10 -3.04 120.51 119.72 1xwe n ALA 1534Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xwe n ALA 1534Cb 0.23 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.28 1xwe n ALA 1534CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwe n LYS 1536N -1.65 0.21 0.13 0.00 5.02 -1.17 -4.83 118.16 115.87 1xwe n LYS 1536Ca -0.01 0.15 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1xwe n LYS 1536Cb 0.14 -2.39 0.39 0.00 -0.02 0.00 0.00 35.03 33.15 1xwe n LYS 1536CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1xwe n PRO 1537N -3.01 0.09 0.07 1.97 -0.02 -1.26 -0.92 135.00 131.92 1xwe n PRO 1537Ca 0.13 0.57 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 1xwe n PRO 1537Cb 0.50 -1.92 0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1xwe n PRO 1537CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xwe h GLU 1538N 0.00 0.31 -4.70 -0.52 4.81 -1.88 -3.42 114.58 109.18 1xwe h GLU 1538Ca 0.00 -0.27 -0.69 0.00 -0.13 0.00 0.00 59.36 58.27 1xwe h GLU 1538Cb 0.23 0.06 -0.28 0.00 0.63 0.00 0.00 28.75 29.39 1xwe h GLU 1538CO 0.00 0.93 -0.61 0.42 -0.73 0.00 0.00 179.01 179.02 1xwe s ILE 1539N -3.51 3.81 -0.04 2.32 1.09 -0.10 -0.43 121.20 124.35 1xwe s ILE 1539Ca -0.04 -1.05 -0.12 0.00 -1.10 0.00 0.00 60.65 58.34 1xwe s ILE 1539Cb 0.11 -3.12 -0.31 0.00 -1.06 0.00 0.00 42.46 38.07 1xwe s ILE 1539CO 0.83 -0.13 0.70 0.00 -0.10 0.00 0.00 174.94 176.24 1xwe h ALA 1540N 8.22 0.12 -2.17 9.38 0.00 -0.66 -3.42 119.26 130.73 1xwe h ALA 1540Ca -0.25 -1.10 -0.44 0.00 0.00 0.00 0.00 54.91 53.12 1xwe h ALA 1540Cb 1.09 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 19.16 1xwe h ALA 1540CO 0.60 0.96 -0.70 1.52 0.00 0.00 0.00 179.25 181.63 1xwe s TYR 1541N -2.57 1.71 -0.28 0.00 -0.85 -0.67 -4.16 117.35 110.53 1xwe s TYR 1541Ca -0.16 -0.68 0.02 0.00 -0.52 0.00 0.00 57.07 55.74 1xwe s TYR 1541Cb 0.05 -0.89 0.17 0.00 0.38 0.00 0.00 41.96 41.67 1xwe s TYR 1541CO 0.86 0.25 0.47 0.00 -1.52 0.00 0.00 175.55 175.61 1xwe s ALA 1542N -3.08 -1.62 0.27 9.51 0.00 -0.80 -1.26 121.76 124.78 1xwe s ALA 1542Ca 0.25 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.87 1xwe s ALA 1542Cb 0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 1xwe s ALA 1542CO 0.08 -1.67 0.32 1.52 0.00 0.00 0.00 175.76 176.00 1xwe s TYR 1543N 2.65 1.09 -0.17 0.00 -0.85 -0.55 -0.43 117.35 119.10 1xwe s TYR 1543Ca 0.11 -1.28 -0.04 0.00 -0.52 0.00 0.00 57.07 55.34 1xwe s TYR 1543Cb -0.12 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 41.87 1xwe s TYR 1543CO -0.26 -0.88 -0.02 0.21 -1.52 0.00 0.00 175.55 173.08 1xwe s LYS 1544N -3.72 3.72 0.47 -3.49 2.20 -0.72 -1.80 119.74 116.40 1xwe s LYS 1544Ca 0.34 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.49 1xwe s LYS 1544Cb 0.03 -2.99 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 1xwe s LYS 1544CO 0.16 0.22 0.09 0.14 -0.36 0.00 0.00 175.35 175.60 1xwe s VAL 1545N 0.43 0.72 -0.20 4.02 -7.23 -0.91 -0.42 120.40 116.81 1xwe s VAL 1545Ca -0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.10 1xwe s VAL 1545Cb -0.14 -2.17 0.10 0.00 0.56 0.00 0.00 36.38 34.73 1xwe s VAL 1545CO 0.02 0.00 0.37 -0.55 -0.31 0.00 0.00 175.10 174.63 1xwe s SER 1546N -3.75 0.08 0.55 4.85 0.15 -0.13 -2.04 113.70 113.41 1xwe s SER 1546Ca 0.13 0.61 -0.21 0.00 0.70 0.00 0.00 55.95 57.18 1xwe s SER 1546Cb 0.01 1.12 -0.05 0.00 -1.71 0.00 0.00 66.02 65.39 1xwe s SER 1546CO 0.09 -0.26 1.30 -0.63 1.20 0.00 0.00 173.24 174.94 1xwe s ILE 1547N 2.55 2.29 0.00 6.45 -1.09 -1.11 -2.26 121.20 128.03 1xwe s ILE 1547Ca 0.04 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1xwe s ILE 1547Cb -0.13 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 1xwe s ILE 1547CO -0.13 -0.01 0.00 1.07 -1.23 0.00 0.00 174.94 174.64 1xwe n THR 1548N -1.10 0.00 -3.72 2.92 5.66 -1.22 -1.48 114.28 115.34 1xwe n THR 1548Ca 0.11 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.99 1xwe n THR 1548Cb 0.46 0.43 -0.11 0.00 -1.55 0.00 0.00 70.33 69.56 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 0.00 -0.44 -0.04 1.09 0.01 -0.65 -4.92 113.70 108.76 1xwe s SER 1549Ca 0.00 0.79 0.03 0.00 1.31 0.00 0.00 55.95 58.08 1xwe s SER 1549Cb 0.00 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1xwe s SER 1549CO 0.00 -0.17 -0.12 -0.63 0.41 0.00 0.00 173.24 172.73 1xwe s ILE 1550N 1.01 1.06 -0.30 1.44 1.01 -1.26 -1.27 121.20 122.89 1xwe s ILE 1550Ca -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 1xwe s ILE 1550Cb -0.07 -0.93 0.10 0.00 0.01 0.00 0.00 42.46 41.57 1xwe s ILE 1550CO -0.08 0.32 0.10 -0.89 0.00 0.00 0.00 174.94 174.39 1xwe s THR 1551N 0.23 0.53 -0.25 2.92 2.01 -0.06 -4.99 115.64 116.03 1xwe s THR 1551Ca -0.05 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 60.71 1xwe s THR 1551Cb -0.11 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1xwe s THR 1551CO 0.02 -0.66 0.21 0.54 -0.69 0.00 0.00 174.62 174.04 1xwe s VAL 1552N 1.80 5.31 0.00 3.82 0.11 -1.26 -0.68 120.40 129.50 1xwe s VAL 1552Ca 0.09 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1xwe s VAL 1552Cb -0.17 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.13 1xwe s VAL 1552CO -0.28 0.30 0.00 1.21 -3.33 0.00 0.00 175.10 173.00 1xwe n GLU 1553N 4.57 0.00 0.00 1.54 2.13 -1.26 -5.03 120.64 122.60 1xwe n GLU 1553Ca -0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.69 1xwe n GLU 1553Cb 0.52 -0.27 0.00 0.00 0.27 0.00 0.00 31.44 31.96 1xwe n GLU 1553CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1xwe n ASN 1554N -2.22 0.00 -0.05 4.31 2.85 -1.26 -5.01 115.26 113.88 1xwe n ASN 1554Ca 0.00 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.25 1xwe n ASN 1554Cb 0.00 0.23 -0.13 0.00 1.24 0.00 0.00 39.78 41.12 1xwe n ASN 1554CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1xwe h VAL 1555N 0.00 0.79 -3.47 3.44 2.07 -1.96 -3.44 116.25 113.67 1xwe h VAL 1555Ca 0.00 -2.26 -0.67 0.00 0.82 0.00 0.00 66.70 64.60 1xwe h VAL 1555Cb 0.00 2.36 -0.28 0.00 -1.52 0.00 0.00 31.29 31.85 1xwe h VAL 1555CO 0.00 0.58 -0.71 -0.36 0.02 0.00 0.00 177.57 177.11 1xwe s PHE 1556N -2.45 3.03 -0.23 1.57 0.08 -1.26 -2.42 117.98 116.30 1xwe s PHE 1556Ca -0.26 -1.09 -0.11 0.00 0.12 0.00 0.00 56.93 55.59 1xwe s PHE 1556Cb 0.06 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.34 1xwe s PHE 1556CO 0.68 -0.60 0.19 0.08 -0.10 0.00 0.00 175.22 175.47 1xwe s VAL 1557N 1.45 5.35 -0.30 -0.44 1.01 -0.29 -4.15 120.40 123.02 1xwe s VAL 1557Ca 0.04 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.08 1xwe s VAL 1557Cb -0.15 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1xwe s VAL 1557CO -0.02 0.35 0.52 -0.54 0.00 0.00 0.00 175.10 175.40 1xwe s LYS 1558N 1.00 3.86 -0.34 2.72 -0.14 0.15 -1.89 119.74 125.09 1xwe s LYS 1558Ca 0.09 0.10 -0.07 0.00 -1.36 0.00 0.00 55.97 54.73 1xwe s LYS 1558Cb -0.13 -3.73 0.03 0.00 -1.68 0.00 0.00 37.83 32.32 1xwe s LYS 1558CO 0.04 -0.50 0.12 0.71 -0.76 0.00 0.00 175.35 174.97 1xwe s TYR 1559N 2.37 3.24 -0.33 3.18 2.02 -0.60 -0.88 117.35 126.34 1xwe s TYR 1559Ca 0.20 -1.27 -0.17 0.00 -0.37 0.00 0.00 57.07 55.46 1xwe s TYR 1559Cb -0.15 -2.30 -0.01 0.00 -0.40 0.00 0.00 41.96 39.09 1xwe s TYR 1559CO 0.11 -0.69 0.46 0.15 -1.57 0.00 0.00 175.55 174.01 1xwe s LYS 1560N 1.45 3.69 0.21 -0.62 -0.14 -0.40 -0.68 119.74 123.24 1xwe s LYS 1560Ca -0.00 -0.17 0.03 0.00 -1.36 0.00 0.00 55.97 54.47 1xwe s LYS 1560Cb -0.19 -3.78 -0.05 0.00 -1.68 0.00 0.00 37.83 32.13 1xwe s LYS 1560CO 0.04 -0.55 -0.02 0.00 -0.76 0.00 0.00 175.35 174.06 1xwe s ALA 1561N 2.25 1.67 -0.11 5.17 0.00 -0.98 -1.63 121.76 128.14 1xwe s ALA 1561Ca 0.17 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1xwe s ALA 1561Cb -0.16 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1xwe s ALA 1561CO 0.12 -0.24 -0.12 0.99 0.00 0.00 0.00 175.76 176.52 1xwe s THR 1562N -3.44 3.18 -0.59 0.00 2.01 -0.96 -2.77 115.64 113.07 1xwe s THR 1562Ca 0.26 -0.63 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 1xwe s THR 1562Cb 0.05 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1xwe s THR 1562CO 0.07 0.54 1.29 -0.22 -0.69 0.00 0.00 174.62 175.60 1xwe s LEU 1563N 0.05 3.40 0.19 4.42 2.96 -1.20 -0.95 118.68 127.55 1xwe s LEU 1563Ca -0.04 0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 1xwe s LEU 1563Cb -0.14 -3.06 0.19 0.00 0.50 0.00 0.00 46.19 43.68 1xwe s LEU 1563CO 0.04 -1.61 1.77 -0.07 -1.32 0.00 0.00 176.35 175.16 1xwe h LEU 1564N 12.50 0.34 -7.00 -0.68 3.38 -1.03 -0.15 115.31 122.66 1xwe h LEU 1564Ca -0.26 0.04 0.23 0.00 0.09 0.00 0.00 57.88 57.99 1xwe h LEU 1564Cb 1.07 -0.01 -0.20 0.00 0.09 0.00 0.00 40.66 41.61 1xwe h LEU 1564CO 1.19 0.22 0.79 -0.62 0.09 0.00 0.00 178.44 180.12 1xwe s ASP 1565N -5.47 -0.16 -0.15 -0.43 -1.08 -0.86 -4.41 116.67 104.11 1xwe s ASP 1565Ca -0.13 0.03 -0.07 0.00 -0.52 0.00 0.00 52.55 51.86 1xwe s ASP 1565Cb 0.15 0.16 -0.04 0.00 -1.46 0.00 0.00 42.92 41.73 1xwe s ASP 1565CO 0.74 -0.25 0.07 -0.63 0.52 0.00 0.00 175.17 175.62 1xwe s ILE 1566N -2.28 4.89 -0.10 4.11 1.01 -1.26 -1.75 121.20 125.81 1xwe s ILE 1566Ca 0.08 -0.01 0.14 0.00 0.00 0.00 0.00 60.65 60.86 1xwe s ILE 1566Cb -0.01 -3.16 -0.20 0.00 0.01 0.00 0.00 42.46 39.09 1xwe s ILE 1566CO -0.05 0.52 0.34 -1.22 0.00 0.00 0.00 174.94 174.53 1xwe n TYR 1567N 2.99 0.00 -3.29 3.97 4.01 -0.58 -4.88 117.16 119.37 1xwe n TYR 1567Ca -0.18 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.50 1xwe n TYR 1567Cb 0.53 -0.27 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.86 0.42 0.56 -0.72 2.47 0.43 -4.01 119.74 116.03 1xwe s LYS 1568Ca -0.04 0.40 -0.18 0.00 -1.56 0.00 0.00 55.97 54.59 1xwe s LYS 1568Cb 0.09 -0.24 -0.12 0.00 -1.46 0.00 0.00 37.83 36.10 1xwe s LYS 1568CO 0.57 -0.85 0.16 -2.37 0.16 0.00 0.00 175.35 173.02 1xwe n THR 1569N 5.37 1.06 -3.71 3.43 5.66 -1.26 -1.90 114.28 122.93 1xwe n THR 1569Ca -0.01 -0.49 -0.37 0.00 -3.05 0.00 0.00 64.05 60.13 1xwe n THR 1569Cb 0.50 -0.33 -0.06 0.00 -1.55 0.00 0.00 70.33 68.89 1xwe n THR 1569CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1xwe s GLY 1570N -1.11 2.31 0.48 1.09 0.00 -1.26 -4.23 107.32 104.59 1xwe s GLY 1570Ca 0.62 -0.45 0.24 0.00 0.00 0.00 0.00 44.72 45.12 1xwe s GLY 1570CO 0.61 -0.16 1.89 0.83 0.00 0.00 0.00 173.10 176.28 1xwe h GLU 1571N 4.76 0.19 -1.84 2.90 5.08 -1.93 0.76 114.58 124.50 1xwe h GLU 1571Ca -0.53 -0.01 -0.35 0.00 -1.00 0.00 0.00 59.36 57.47 1xwe h GLU 1571Cb 1.22 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1xwe h GLU 1571CO 0.60 0.13 0.25 0.00 -1.00 0.00 0.00 179.01 178.98 1xwe n ALA 1572N -2.61 5.79 -3.40 3.43 0.00 -1.26 -4.85 120.51 117.61 1xwe n ALA 1572Ca 0.17 -2.14 -0.28 0.00 0.00 0.00 0.00 53.44 51.19 1xwe n ALA 1572Cb 0.77 -1.82 0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 1.00 -3.81 -3.12 0.00 3.14 0.24 -4.93 118.33 110.85 1xwe n VAL 1573Ca 0.38 0.23 -0.36 0.00 -2.96 0.00 0.00 64.34 61.63 1xwe n VAL 1573Cb 0.61 -3.59 -0.06 0.00 -1.06 0.00 0.00 33.84 29.75 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 -1.39 3.43 0.03 1.55 0.00 -1.10 -4.90 121.76 119.39 1xwe s ALA 1574Ca 0.28 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.43 1xwe s ALA 1574Cb -0.03 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1xwe s ALA 1574CO 0.66 0.34 -0.13 -2.00 0.00 0.00 0.00 175.76 174.63 1xwe s GLU 1575N -1.96 0.90 0.74 0.00 2.12 -1.26 -4.60 118.70 114.63 1xwe s GLU 1575Ca 0.42 -0.71 -0.15 0.00 0.36 0.00 0.00 54.97 54.89 1xwe s GLU 1575Cb -0.17 -0.88 0.04 0.00 0.26 0.00 0.00 34.13 33.38 1xwe s GLU 1575CO 0.21 0.22 1.25 -1.59 -0.54 0.00 0.00 175.26 174.81 1xwe s LYS 1576N -1.04 2.03 -0.70 4.30 -2.85 -1.26 -2.36 119.74 117.85 1xwe s LYS 1576Ca 0.01 1.91 -0.02 0.00 -1.00 0.00 0.00 55.97 56.87 1xwe s LYS 1576Cb -0.07 -1.80 0.02 0.00 -2.06 0.00 0.00 37.83 33.91 1xwe s LYS 1576CO 0.01 -1.96 0.09 -0.40 0.10 0.00 0.00 175.35 173.20 1xwe n ASP 1577N -2.67 -2.64 -2.85 0.03 5.68 -0.07 -4.91 116.55 109.12 1xwe n ASP 1577Ca 0.15 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 1xwe n ASP 1577Cb 0.49 -2.29 0.00 0.00 -1.14 0.00 0.00 41.12 38.18 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 -1.78 -0.74 -3.82 -1.12 3.41 -0.99 -4.66 113.62 103.92 1xwe n SER 1578Ca -0.06 -0.32 -0.30 0.00 -0.26 0.00 0.00 58.87 57.93 1xwe n SER 1578Cb 0.55 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 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 -2.07 1.22 0.30 4.33 2.12 -1.26 -3.26 118.70 120.08 1xwe s GLU 1579Ca 0.00 -1.73 -0.09 0.00 0.36 0.00 0.00 54.97 53.51 1xwe s GLU 1579Cb 0.00 -2.55 -0.07 0.00 0.26 0.00 0.00 34.13 31.77 1xwe s GLU 1579CO 0.00 -1.04 0.62 0.96 -0.54 0.00 0.00 175.26 175.26 1xwe s ILE 1580N 0.85 4.90 -0.32 -3.70 -4.36 -1.12 -4.99 121.20 112.46 1xwe s ILE 1580Ca 0.13 0.42 -0.02 0.00 -0.26 0.00 0.00 60.65 60.93 1xwe s ILE 1580Cb -0.21 -3.68 0.11 0.00 1.25 0.00 0.00 42.46 39.93 1xwe s ILE 1580CO -0.10 -0.27 0.13 -0.89 0.24 0.00 0.00 174.94 174.04 1xwe s THR 1581N -2.05 0.53 -0.35 8.37 2.01 -1.25 -2.31 115.64 120.58 1xwe s THR 1581Ca 0.48 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 1xwe s THR 1581Cb -0.11 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 1xwe s THR 1581CO 0.26 -0.74 1.59 -0.36 -0.69 0.00 0.00 174.62 174.68 1xwe s PHE 1582N 1.62 2.13 -0.23 4.92 0.08 0.14 -1.81 117.98 124.84 1xwe s PHE 1582Ca 0.11 0.64 -0.20 0.00 0.12 0.00 0.00 56.93 57.60 1xwe s PHE 1582Cb -0.18 -4.18 -0.02 0.00 -0.57 0.00 0.00 43.02 38.07 1xwe s PHE 1582CO -0.25 -2.49 0.61 0.42 -0.10 0.00 0.00 175.22 173.41 1xwe s ILE 1583N 5.92 5.01 0.15 0.64 -1.09 -0.32 -1.56 121.20 129.96 1xwe s ILE 1583Ca 0.70 1.12 0.09 0.00 -2.23 0.00 0.00 60.65 60.34 1xwe s ILE 1583Cb -0.19 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1xwe s ILE 1583CO 0.32 0.08 -0.16 -0.75 -1.23 0.00 0.00 174.94 173.20 1xwe s LYS 1584N 2.18 1.84 0.46 2.79 2.20 -0.79 -3.12 119.74 125.30 1xwe s LYS 1584Ca 0.27 -1.26 0.03 0.00 -0.36 0.00 0.00 55.97 54.64 1xwe s LYS 1584Cb -0.16 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.05 1xwe s LYS 1584CO 0.09 0.45 0.06 0.15 -0.36 0.00 0.00 175.35 175.74 1xwe s LYS 1585N -2.46 2.06 0.52 4.03 1.02 -1.25 -1.14 119.74 122.53 1xwe s LYS 1585Ca 0.21 -2.29 0.24 0.00 0.02 0.00 0.00 55.97 54.15 1xwe s LYS 1585Cb -0.10 -1.15 1.43 0.00 -0.52 0.00 0.00 37.83 37.50 1xwe s LYS 1585CO 0.12 -0.39 2.11 -0.39 -0.92 0.00 0.00 175.35 175.88 1xwe h VAL 1586N 1.57 0.73 -0.06 3.17 -1.51 -1.77 -2.46 116.25 115.92 1xwe h VAL 1586Ca -0.40 -0.35 -0.25 0.00 -1.23 0.00 0.00 66.70 64.46 1xwe h VAL 1586Cb 1.29 1.21 0.02 0.00 -2.13 0.00 0.00 31.29 31.68 1xwe h VAL 1586CO 0.67 0.09 -0.95 0.71 -1.23 0.00 0.00 177.57 176.86 1xwe h THR 1587N 0.00 1.28 -0.74 7.19 1.35 -1.94 -3.41 112.91 116.64 1xwe h THR 1587Ca -0.00 -2.14 -0.33 0.00 -0.55 0.00 0.00 66.41 63.38 1xwe h THR 1587Cb 0.20 2.23 -0.05 0.00 -1.73 0.00 0.00 68.15 68.80 1xwe h THR 1587CO 0.01 0.67 0.86 0.00 -0.25 0.00 0.00 175.52 176.81 1xwe n THR 1589N 7.75 0.00 0.04 0.00 5.66 -1.26 -4.40 114.28 122.07 1xwe n THR 1589Ca 0.40 -0.23 0.04 0.00 -3.05 0.00 0.00 64.05 61.22 1xwe n THR 1589Cb 0.47 0.65 -0.07 0.00 -1.55 0.00 0.00 70.33 69.83 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xwe n ASN 1590N -1.64 0.67 -4.50 1.09 5.03 -1.26 -4.77 115.26 109.88 1xwe n ASN 1590Ca 0.01 0.28 -0.43 0.00 0.87 0.00 0.00 54.58 55.31 1xwe n ASN 1590Cb 0.31 0.58 -0.04 0.00 -1.02 0.00 0.00 39.78 39.61 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwe s ALA 1591N -3.12 3.13 -0.06 5.41 0.00 -1.18 -4.30 121.76 121.64 1xwe s ALA 1591Ca -0.03 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 1xwe s ALA 1591Cb 0.10 -3.79 0.04 0.00 0.00 0.00 0.00 23.12 19.46 1xwe s ALA 1591CO 0.82 -2.55 0.12 -1.21 0.00 0.00 0.00 175.76 172.94 1xwe s GLU 1592N 4.05 0.04 0.33 0.00 2.02 -1.26 -5.03 118.70 118.84 1xwe s GLU 1592Ca 0.28 0.38 0.10 0.00 0.02 0.00 0.00 54.97 55.74 1xwe s GLU 1592Cb -0.14 -0.24 -0.06 0.00 0.10 0.00 0.00 34.13 33.80 1xwe s GLU 1592CO 0.16 -0.21 -0.07 -0.51 0.02 0.00 0.00 175.26 174.65 1xwe s LEU 1593N 1.46 2.82 -0.03 1.80 1.43 -1.26 -5.11 118.68 119.79 1xwe s LEU 1593Ca -0.06 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.01 1xwe s LEU 1593Cb -0.12 -1.19 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1xwe s LEU 1593CO -0.05 -0.16 -0.10 0.54 0.23 0.00 0.00 176.35 176.81 1xwe s VAL 1594N -2.54 0.92 0.58 -1.59 0.11 -1.26 -5.11 120.40 111.51 1xwe s VAL 1594Ca 0.33 -0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 58.77 1xwe s VAL 1594Cb -0.00 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1xwe s VAL 1594CO 0.17 0.29 1.16 -1.59 -3.33 0.00 0.00 175.10 171.80 1xwe s LYS 1595N 0.28 3.10 0.00 1.54 -2.85 -1.26 -3.48 119.74 117.06 1xwe s LYS 1595Ca -0.05 1.68 0.00 0.00 -1.00 0.00 0.00 55.97 56.60 1xwe s LYS 1595Cb -0.10 -1.96 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 1xwe s LYS 1595CO 0.01 -1.07 0.00 0.41 0.10 0.00 0.00 175.35 174.80 1xwe n GLY 1596N 0.24 0.62 3.66 0.59 0.00 -0.55 -4.93 105.19 104.82 1xwe n GLY 1596Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.79 2.04 -0.01 1.61 0.52 -1.23 -5.02 118.95 116.08 1xwe s ARG 1597Ca 0.00 -2.24 0.08 0.00 -0.52 0.00 0.00 55.73 53.05 1xwe s ARG 1597Cb 0.00 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 34.04 1xwe s ARG 1597CO 0.00 -0.25 -0.25 -0.65 0.02 0.00 0.00 175.30 174.16 1xwe s GLN 1598N -3.80 1.99 0.01 3.54 -0.21 -1.26 -2.76 119.66 117.16 1xwe s GLN 1598Ca 0.20 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 54.67 1xwe s GLN 1598Cb 0.05 -1.96 -0.01 0.00 1.00 0.00 0.00 33.01 32.09 1xwe s GLN 1598CO 0.10 0.53 -0.05 0.71 -2.12 0.00 0.00 175.29 174.47 1xwe s TYR 1599N -0.63 0.45 -0.36 0.91 2.02 -0.87 -2.14 117.35 116.73 1xwe s TYR 1599Ca 0.10 -0.20 -0.20 0.00 -0.37 0.00 0.00 57.07 56.39 1xwe s TYR 1599Cb -0.10 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 41.19 1xwe s TYR 1599CO -0.00 -0.04 0.61 -1.17 -1.57 0.00 0.00 175.55 173.38 1xwe s LEU 1600N -0.55 4.30 -0.19 -1.29 1.98 0.05 -2.14 118.68 120.84 1xwe s LEU 1600Ca -0.02 0.06 -0.02 0.00 -2.89 0.00 0.00 54.13 51.26 1xwe s LEU 1600Cb -0.04 -2.74 -0.01 0.00 0.66 0.00 0.00 46.19 44.06 1xwe s LEU 1600CO -0.00 -0.59 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.16 1xwe s ILE 1601N 2.65 3.15 -0.16 6.68 1.09 -0.74 -1.45 121.20 132.41 1xwe s ILE 1601Ca 0.23 -0.59 -0.04 0.00 -1.10 0.00 0.00 60.65 59.15 1xwe s ILE 1601Cb -0.15 -2.39 0.08 0.00 -1.06 0.00 0.00 42.46 38.94 1xwe s ILE 1601CO 0.15 0.47 0.22 0.00 -0.10 0.00 0.00 174.94 175.68 1xwe s MET 1602N 1.12 0.15 0.00 2.79 0.23 -0.96 -1.48 119.30 121.15 1xwe s MET 1602Ca 0.01 0.40 0.00 0.00 -1.03 0.00 0.00 55.69 55.07 1xwe s MET 1602Cb -0.14 -0.76 0.00 0.00 -1.53 0.00 0.00 34.83 32.40 1xwe s MET 1602CO -0.02 -0.51 0.00 0.41 -2.03 0.00 0.00 175.02 172.87 1xwe n GLY 1603N 5.33 0.94 3.45 3.16 0.00 -0.39 -2.69 105.19 114.99 1xwe n GLY 1603Ca -0.05 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1xwe n GLY 1603CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwe n LYS 1604N 0.00 0.50 -0.51 1.61 3.00 0.43 -0.01 118.16 123.19 1xwe n LYS 1604Ca 0.00 0.19 -0.29 0.00 -0.00 0.00 0.00 58.31 58.21 1xwe n LYS 1604Cb 0.00 -1.63 0.27 0.00 0.00 0.00 0.00 35.03 33.66 1xwe n LYS 1604CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1xwe s GLU 1605N -1.94 -1.87 1.01 1.64 4.04 -1.26 -4.61 118.70 115.70 1xwe s GLU 1605Ca 0.67 0.46 -0.17 0.00 0.04 0.00 0.00 54.97 55.97 1xwe s GLU 1605Cb -0.47 -1.47 0.22 0.00 0.02 0.00 0.00 34.13 32.42 1xwe s GLU 1605CO 0.56 -4.26 1.28 0.00 -1.84 0.00 0.00 175.26 171.00 1xwe s ALA 1606N -2.41 1.93 0.55 -0.84 0.00 -1.26 -4.95 121.76 114.77 1xwe s ALA 1606Ca 0.69 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 51.53 1xwe s ALA 1606Cb -0.19 -2.80 0.09 0.00 0.00 0.00 0.00 23.12 20.22 1xwe s ALA 1606CO 0.61 -2.65 0.68 1.28 0.00 0.00 0.00 175.76 175.68 1xwe n LEU 1607N -3.95 0.00 -3.31 0.00 7.99 -1.07 -4.89 117.00 111.77 1xwe n LEU 1607Ca 0.15 -1.71 -0.25 0.00 -0.01 0.00 0.00 56.01 54.19 1xwe n LEU 1607Cb 0.59 -0.41 -0.09 0.00 -0.11 0.00 0.00 43.42 43.41 1xwe n LEU 1607CO 0.46 -0.77 -0.29 0.00 -1.51 0.00 0.00 177.39 175.28 1xwe n GLN 1608N -2.17 0.32 -0.33 3.23 6.02 -1.26 -3.64 117.38 119.55 1xwe n GLN 1608Ca 0.12 -3.11 0.09 0.00 -0.01 0.00 0.00 57.00 54.10 1xwe n GLN 1608Cb 0.44 -1.56 0.30 0.00 1.02 0.00 0.00 30.24 30.44 1xwe n GLN 1608CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1xwe h ILE 1609N 4.06 0.87 -0.28 5.09 6.09 -1.92 -3.45 117.51 127.96 1xwe h ILE 1609Ca 0.21 -0.30 -0.08 0.00 -1.37 0.00 0.00 64.86 63.32 1xwe h ILE 1609Cb 0.91 -0.07 -0.03 0.00 0.47 0.00 0.00 36.82 38.10 1xwe h ILE 1609CO 0.37 0.16 -0.08 1.17 -3.07 0.00 0.00 178.15 176.70 1xwe n LYS 1610N -4.61 -1.85 -5.02 2.19 3.00 -1.26 -4.86 118.16 105.75 1xwe n LYS 1610Ca 0.19 0.55 -0.31 0.00 -0.00 0.00 0.00 58.31 58.74 1xwe n LYS 1610Cb 0.42 -4.73 -0.15 0.00 0.00 0.00 0.00 35.03 30.58 1xwe n LYS 1610CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1xwe s TYR 1611N -1.20 2.44 -0.04 5.64 5.04 -1.25 -4.37 117.35 123.61 1xwe s TYR 1611Ca 0.00 -0.34 -0.04 0.00 -2.44 0.00 0.00 57.07 54.25 1xwe s TYR 1611Cb 0.00 -1.49 0.01 0.00 0.35 0.00 0.00 41.96 40.83 1xwe s TYR 1611CO 0.00 0.10 0.07 -1.71 -1.34 0.00 0.00 175.55 172.67 1xwe n ASN 1612N 2.10 -6.60 -2.25 4.32 2.85 -1.26 -4.27 115.26 110.15 1xwe n ASN 1612Ca -0.16 1.64 -0.20 0.00 -0.11 0.00 0.00 54.58 55.75 1xwe n ASN 1612Cb 0.52 -5.06 -0.02 0.00 1.24 0.00 0.00 39.78 36.46 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 1.72 -0.58 -0.68 5.20 0.00 -1.26 -4.67 120.51 120.24 1xwe n ALA 1613Ca -0.12 0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.56 1xwe n ALA 1613Cb 0.19 -2.08 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe n SER 1614N -1.85 -4.05 -4.49 0.00 2.88 -1.26 -4.82 113.62 100.03 1xwe n SER 1614Ca -0.23 0.44 -0.43 0.00 -1.33 0.00 0.00 58.87 57.31 1xwe n SER 1614Cb 0.67 -1.23 -0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1xwe n SER 1614CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1xwe n PHE 1615N -1.96 0.11 -0.02 0.66 1.16 -1.26 -3.87 117.46 112.28 1xwe n PHE 1615Ca 0.00 0.69 0.02 0.00 -1.87 0.00 0.00 57.45 56.29 1xwe n PHE 1615Cb 0.18 -2.07 -0.08 0.00 -1.61 0.00 0.00 39.48 35.91 1xwe n PHE 1615CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 1xwe n ARG 1616N 0.67 0.93 -3.52 3.97 3.00 -1.26 -4.79 116.66 115.65 1xwe n ARG 1616Ca 0.12 -0.07 -0.25 0.00 -0.00 0.00 0.00 57.85 57.65 1xwe n ARG 1616Cb 0.35 -1.23 0.05 0.00 0.00 0.00 0.00 32.46 31.62 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1xwe n TYR 1617N -1.98 -2.13 -3.01 -0.14 4.02 -1.24 -4.96 117.16 107.72 1xwe n TYR 1617Ca -0.06 0.61 -0.33 0.00 -0.01 0.00 0.00 57.90 58.12 1xwe n TYR 1617Cb 0.41 -3.66 -0.06 0.00 -0.02 0.00 0.00 39.34 36.01 1xwe n TYR 1617CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1xwe s ILE 1618N -3.40 4.55 -0.37 -0.72 -4.36 -1.26 -4.75 121.20 110.88 1xwe s ILE 1618Ca 0.44 1.20 -0.09 0.00 -0.26 0.00 0.00 60.65 61.94 1xwe s ILE 1618Cb -0.12 -3.64 0.04 0.00 1.25 0.00 0.00 42.46 39.98 1xwe s ILE 1618CO 0.82 -0.19 0.19 -0.31 0.24 0.00 0.00 174.94 175.69 1xwe s TYR 1619N -2.01 3.26 1.10 1.37 1.51 -0.75 -2.58 117.35 119.26 1xwe s TYR 1619Ca 0.56 -1.19 -0.17 0.00 -1.01 0.00 0.00 57.07 55.26 1xwe s TYR 1619Cb -0.11 -2.48 0.24 0.00 -0.11 0.00 0.00 41.96 39.51 1xwe s TYR 1619CO 0.16 -0.71 1.14 -1.25 -1.11 0.00 0.00 175.55 173.79 1xwe s PRO 1620N 1.49 -0.44 -0.46 -1.71 0.04 -1.26 -1.17 135.00 131.48 1xwe s PRO 1620Ca 0.01 0.00 0.09 0.00 0.04 0.00 0.00 61.00 61.14 1xwe s PRO 1620Cb -0.20 -1.68 0.35 0.00 0.04 0.00 0.00 34.50 33.01 1xwe s PRO 1620CO 0.05 -3.21 0.84 1.28 0.04 0.00 0.00 177.00 176.00 1xwe n LEU 1621N -4.41 2.52 0.00 -3.56 4.77 -1.18 -4.68 117.00 110.45 1xwe n LEU 1621Ca 0.11 -5.28 0.00 0.00 -0.03 0.00 0.00 56.01 50.81 1xwe n LEU 1621Cb 0.59 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1xwe n LEU 1621CO 0.48 2.30 0.00 0.47 -1.33 0.00 0.00 177.39 179.32 1xwe n ASP 1622N 0.03 -0.09 0.08 -1.43 8.00 -1.26 -1.46 116.55 120.42 1xwe n ASP 1622Ca 0.28 -0.53 -0.08 0.00 0.71 0.00 0.00 54.79 55.16 1xwe n ASP 1622Cb 0.55 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.58 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1xwe h SER 1623N -0.09 0.12 0.00 -2.24 4.64 -1.90 -2.22 113.55 111.86 1xwe h SER 1623Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1xwe h SER 1623Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1xwe h SER 1623CO 0.00 1.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.98 1xwe n LEU 1624N -3.49 0.00 -4.53 5.97 -0.00 -1.26 -4.67 117.00 109.02 1xwe n LEU 1624Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.56 1xwe n LEU 1624Cb 0.89 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 44.26 1xwe n LEU 1624CO 0.48 0.00 0.51 -0.89 -0.00 0.00 0.00 177.39 177.48 1xwe s THR 1625N -2.00 4.70 -0.36 1.47 2.01 -1.19 -4.50 115.64 115.77 1xwe s THR 1625Ca 0.21 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 1xwe s THR 1625Cb 0.09 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1xwe s THR 1625CO 0.16 -0.72 1.19 0.86 -0.69 0.00 0.00 174.62 175.42 1xwe s TRP 1626N 3.15 2.86 -0.23 4.92 -0.11 -1.10 -4.82 118.94 123.61 1xwe s TRP 1626Ca 0.27 0.92 0.02 0.00 1.22 0.00 0.00 56.10 58.53 1xwe s TRP 1626Cb -0.13 -4.01 0.05 0.00 -1.50 0.00 0.00 33.47 27.87 1xwe s TRP 1626CO 0.21 -1.29 -0.13 0.42 -4.62 0.00 0.00 176.95 171.54 1xwe s ILE 1627N 4.24 2.06 0.11 5.86 1.01 -1.26 -2.27 121.20 130.96 1xwe s ILE 1627Ca 0.51 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1xwe s ILE 1627Cb -0.12 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1xwe s ILE 1627CO 0.24 0.13 -0.12 -0.70 0.00 0.00 0.00 174.94 174.48 1xwe s GLU 1628N 1.19 2.01 -0.23 2.79 2.12 -0.53 -4.04 118.70 122.03 1xwe s GLU 1628Ca -0.05 -1.09 -0.20 0.00 0.36 0.00 0.00 54.97 54.00 1xwe s GLU 1628Cb -0.18 -2.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 1xwe s GLU 1628CO -0.07 0.49 0.59 -0.47 -0.54 0.00 0.00 175.26 175.26 1xwe s TYR 1629N -1.23 3.33 -0.49 5.30 6.14 -1.26 -0.77 117.35 128.36 1xwe s TYR 1629Ca 0.21 0.82 -0.14 0.00 0.64 0.00 0.00 57.07 58.59 1xwe s TYR 1629Cb -0.11 -2.77 0.11 0.00 0.42 0.00 0.00 41.96 39.61 1xwe s TYR 1629CO 0.13 -0.22 0.41 -0.46 0.64 0.00 0.00 175.55 176.05 1xwe s TRP 1630N 2.10 3.29 -0.31 4.97 -0.11 -0.91 -4.81 118.94 123.15 1xwe s TRP 1630Ca 0.26 -1.31 -0.30 0.00 1.22 0.00 0.00 56.10 55.97 1xwe s TRP 1630Cb -0.16 -3.46 -0.08 0.00 -1.50 0.00 0.00 33.47 28.28 1xwe s TRP 1630CO 0.09 -0.93 2.26 -2.30 -4.62 0.00 0.00 176.95 171.45 1xwe n PRO 1631N 5.14 1.52 0.22 5.86 -0.02 -1.26 -4.39 135.00 142.07 1xwe n PRO 1631Ca -0.12 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 61.82 1xwe n PRO 1631Cb 0.42 -3.00 0.46 0.00 -0.02 0.00 0.00 33.50 31.35 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 14.89 0.00 -6.48 -0.52 2.43 -1.96 -3.44 114.38 119.32 1xwe h ARG 1632Ca -0.34 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.30 1xwe h ARG 1632Cb 1.27 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1xwe h ARG 1632CO 1.02 0.25 -0.02 -0.51 -1.51 0.00 0.00 179.97 179.19 1xwe s ASP 1633N -6.24 6.82 0.00 -3.80 1.11 -1.26 -4.97 116.67 108.33 1xwe s ASP 1633Ca 0.00 1.15 0.00 0.00 0.18 0.00 0.00 52.55 53.88 1xwe s ASP 1633Cb 0.11 -2.32 0.00 0.00 1.07 0.00 0.00 42.92 41.78 1xwe s ASP 1633CO 0.64 -0.01 0.01 0.35 1.18 0.00 0.00 175.17 177.35 1xwe n THR 1634N 0.36 0.00 0.29 -1.27 -2.24 -1.26 -4.76 114.28 105.39 1xwe n THR 1634Ca -0.02 -0.18 0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1xwe n THR 1634Cb 0.52 1.05 0.86 0.00 -2.10 0.00 0.00 70.33 70.66 1xwe n THR 1634CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe h THR 1635N 0.05 0.44 -3.45 4.28 1.03 -2.00 -3.43 112.91 109.83 1xwe h THR 1635Ca 0.00 -0.28 -0.53 0.00 -0.01 0.00 0.00 66.41 65.59 1xwe h THR 1635Cb 0.02 1.19 -0.02 0.00 -1.07 0.00 0.00 68.15 68.28 1xwe h THR 1635CO 0.00 0.06 0.39 0.00 -0.01 0.00 0.00 175.52 175.96 1xwe h SER 1637N 6.25 0.00 0.18 0.00 0.02 -2.00 -1.59 113.55 116.41 1xwe h SER 1637Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1xwe h SER 1637Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1xwe h SER 1637CO 0.74 0.08 -0.37 -0.24 -1.14 0.00 0.00 176.83 175.90 1xwe n SER 1638N -3.07 1.26 -0.04 3.07 2.88 -1.26 -4.13 113.62 112.33 1xwe n SER 1638Ca 0.03 -1.02 -0.03 0.00 -1.33 0.00 0.00 58.87 56.52 1xwe n SER 1638Cb 0.57 0.28 -0.07 0.00 -0.75 0.00 0.00 64.21 64.23 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe h GLN 1640N 0.00 0.00 -0.69 0.00 4.15 -1.44 -2.36 115.11 114.77 1xwe h GLN 1640Ca -0.20 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.29 1xwe h GLN 1640Cb 1.35 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.00 1xwe h GLN 1640CO 0.01 0.08 0.45 0.00 -1.93 0.00 0.00 178.83 177.45 1xwe h ALA 1641N 1.92 1.76 -0.28 3.38 0.00 -1.80 -1.40 119.26 122.84 1xwe h ALA 1641Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xwe h ALA 1641Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xwe h ALA 1641CO 0.01 0.12 -0.01 0.35 0.00 0.00 0.00 179.25 179.72 1xwe h PHE 1642N 0.68 0.55 0.00 0.00 3.57 -1.72 -2.49 116.94 117.53 1xwe h PHE 1642Ca 0.30 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1xwe h PHE 1642Cb 0.30 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1xwe h PHE 1642CO -0.00 0.66 0.00 1.28 -2.23 0.00 0.00 178.31 178.02 1xwe n LEU 1643N -4.58 0.38 0.08 0.59 4.77 -0.80 -2.25 117.00 115.18 1xwe n LEU 1643Ca -0.03 0.59 -0.07 0.00 -0.03 0.00 0.00 56.01 56.47 1xwe n LEU 1643Cb 0.26 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1xwe n LEU 1643CO 0.39 -0.41 0.22 0.00 -1.33 0.00 0.00 177.39 176.25 1xwe h ALA 1644N 2.38 -0.29 0.00 -1.18 0.00 -0.82 0.66 119.26 120.02 1xwe h ALA 1644Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1xwe h ALA 1644Cb 0.32 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xwe h ALA 1644CO 0.00 -0.30 0.00 -2.95 0.00 0.00 0.00 179.25 176.00 1xwe h ASN 1645N -1.03 0.00 0.57 0.00 7.08 -1.52 -2.21 115.58 118.47 1xwe h ASN 1645Ca -0.03 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.19 1xwe h ASN 1645Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 1xwe h ASN 1645CO 0.05 0.00 -1.29 -0.11 -2.08 0.00 0.00 177.43 174.00 1xwe n LEU 1646N -2.53 0.55 -0.22 6.14 7.94 -0.96 -4.21 117.00 123.72 1xwe n LEU 1646Ca 0.01 0.14 -0.05 0.00 -1.11 0.00 0.00 56.01 55.01 1xwe n LEU 1646Cb 0.24 -0.05 0.05 0.00 0.53 0.00 0.00 43.42 44.19 1xwe n LEU 1646CO 0.22 -0.07 1.12 -0.78 -1.11 0.00 0.00 177.39 176.77 1xwe h ASP 1647N 0.00 0.67 -0.04 1.96 3.58 -0.19 0.20 116.42 122.60 1xwe h ASP 1647Ca 0.00 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1xwe h ASP 1647Cb 0.93 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 1xwe h ASP 1647CO 0.00 0.48 0.02 -0.08 -2.88 0.00 0.00 179.24 176.78 1xwe h GLU 1648N 0.80 0.05 0.00 0.28 4.81 -1.73 -2.24 114.58 116.55 1xwe h GLU 1648Ca 0.24 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1xwe h GLU 1648Cb -0.05 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1xwe h GLU 1648CO -0.07 0.09 -0.16 0.35 -0.73 0.00 0.00 179.01 178.49 1xwe h PHE 1649N 0.00 0.00 0.00 0.92 3.57 -1.67 0.12 116.94 119.88 1xwe h PHE 1649Ca 0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1xwe h PHE 1649Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1xwe h PHE 1649CO -0.06 0.16 -0.11 0.00 -2.23 0.00 0.00 178.31 176.08 1xwe h ALA 1650N 1.84 1.57 -0.00 2.41 0.00 0.01 -2.77 119.26 122.32 1xwe h ALA 1650Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xwe h ALA 1650Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xwe h ALA 1650CO 0.02 0.13 -0.10 -1.91 0.00 0.00 0.00 179.25 177.40 1xwe n GLU 1651N -4.04 3.35 0.00 0.00 2.13 -0.90 -4.37 120.64 116.81 1xwe n GLU 1651Ca -0.02 -0.29 0.14 0.00 0.66 0.00 0.00 57.16 57.64 1xwe n GLU 1651Cb 0.19 -0.83 0.59 0.00 0.27 0.00 0.00 31.44 31.67 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xwe n ASP 1652N -0.56 0.07 -0.07 4.31 2.03 0.38 -1.99 116.55 120.71 1xwe n ASP 1652Ca 0.01 0.34 -0.07 0.00 0.52 0.00 0.00 54.79 55.59 1xwe n ASP 1652Cb 0.07 -0.39 -0.10 0.00 -0.72 0.00 0.00 41.12 39.98 1xwe n ASP 1652CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xwe n ILE 1653N -1.47 0.88 -0.00 5.18 0.13 -1.17 -1.38 119.36 121.52 1xwe n ILE 1653Ca 0.08 -0.50 -0.17 0.00 -1.10 0.00 0.00 62.75 61.05 1xwe n ILE 1653Cb 0.33 -0.74 -0.13 0.00 -0.84 0.00 0.00 39.64 38.26 1xwe n ILE 1653CO 0.00 0.00 0.00 0.15 2.80 0.00 0.00 176.55 179.50 1xwe h PHE 1654N 0.00 0.33 0.00 9.51 3.04 -1.69 -3.14 116.94 124.99 1xwe h PHE 1654Ca -0.35 -0.23 0.00 0.00 3.98 0.00 0.00 57.97 61.38 1xwe h PHE 1654Cb 1.74 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.23 1xwe h PHE 1654CO 0.00 1.14 -0.13 1.25 -2.02 0.00 0.00 178.31 178.55 1xwe h LEU 1655N -0.56 0.00 0.00 0.59 6.46 -1.67 -3.43 115.31 116.71 1xwe h LEU 1655Ca -0.07 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 1xwe h LEU 1655Cb 1.31 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1xwe h LEU 1655CO 0.09 0.51 0.00 0.59 -0.62 0.00 0.00 178.44 179.01 1xwe n ASN 1656N -4.47 0.00 -0.13 1.25 5.03 -1.24 -5.03 115.26 110.66 1xwe n ASN 1656Ca -0.02 0.61 0.00 0.00 0.87 0.00 0.00 54.58 56.04 1xwe n ASN 1656Cb 0.07 -0.40 0.00 0.00 -1.02 0.00 0.00 39.78 38.43 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 0.83 -1.43 0.00 7.41 0.00 -0.48 -4.95 105.19 106.56 1xwe n GLY 1657Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32