#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 0.37 1.61 0.01 -1.26 -5.16 113.70 109.32 1xwe s SER 1509Ca 0.00 -0.21 -0.14 0.00 1.31 0.00 0.00 55.95 56.91 1xwe s SER 1509Cb 0.00 0.19 -0.08 0.00 0.21 0.00 0.00 66.02 66.34 1xwe s SER 1509CO 0.00 -0.31 0.77 -1.00 0.41 0.00 0.00 173.24 173.11 1xwe s HIS 1510N -1.19 3.40 -0.16 2.43 4.02 -1.26 -5.08 115.29 117.45 1xwe s HIS 1510Ca -0.13 1.20 -0.04 0.00 1.02 0.00 0.00 55.06 57.10 1xwe s HIS 1510Cb -0.07 -2.54 0.07 0.00 -1.02 0.00 0.00 32.58 29.02 1xwe s HIS 1510CO 0.01 -0.01 0.13 1.41 1.02 0.00 0.00 174.74 177.30 1xwe s MET 1511N -3.33 0.09 -0.22 1.40 1.75 -1.26 -5.07 119.30 112.65 1xwe s MET 1511Ca 0.54 0.08 -0.03 0.00 -1.25 0.00 0.00 55.69 55.03 1xwe s MET 1511Cb -0.10 -1.44 0.11 0.00 2.84 0.00 0.00 34.83 36.24 1xwe s MET 1511CO 0.22 -0.61 0.31 0.00 -0.65 0.00 0.00 175.02 174.28 1xwe s ALA 1512N 2.21 -0.71 -0.48 4.11 0.00 -1.26 -5.08 121.76 120.55 1xwe s ALA 1512Ca 0.04 0.65 -0.10 0.00 0.00 0.00 0.00 51.96 52.55 1xwe s ALA 1512Cb -0.15 -1.48 0.12 0.00 0.00 0.00 0.00 23.12 21.61 1xwe s ALA 1512CO -0.09 -1.19 0.36 -0.51 0.00 0.00 0.00 175.76 174.33 1xwe s ASP 1513N 2.45 5.76 -0.32 0.00 1.11 -1.26 -2.09 116.67 122.31 1xwe s ASP 1513Ca 0.09 -1.87 0.10 0.00 0.18 0.00 0.00 52.55 51.05 1xwe s ASP 1513Cb -0.15 -2.03 0.73 0.00 1.07 0.00 0.00 42.92 42.54 1xwe s ASP 1513CO -0.14 -0.70 1.80 0.00 1.18 0.00 0.00 175.17 177.31 1xwe n GLY 1515N -0.24 -0.03 2.68 0.00 0.00 -1.25 -3.18 105.19 103.17 1xwe n GLY 1515Ca 0.41 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.32 -4.07 -2.83 1.61 -0.06 -1.26 -4.29 117.38 105.15 1xwe n GLN 1516Ca 0.00 3.13 -0.20 0.00 -2.00 0.00 0.00 57.00 57.93 1xwe n GLN 1516Cb 0.00 -4.83 0.02 0.00 -4.06 0.00 0.00 30.24 21.38 1xwe n GLN 1516CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xwe s MET 1517N -0.88 2.70 0.49 3.69 0.23 -1.26 -4.63 119.30 119.64 1xwe s MET 1517Ca -0.20 -0.95 0.07 0.00 -1.03 0.00 0.00 55.69 53.58 1xwe s MET 1517Cb 0.01 -2.61 0.04 0.00 -1.53 0.00 0.00 34.83 30.74 1xwe s MET 1517CO 0.73 -0.49 0.68 -0.65 -2.03 0.00 0.00 175.02 173.26 1xwe s GLN 1518N -4.57 2.60 0.81 3.16 -1.52 -0.91 -5.03 119.66 114.19 1xwe s GLN 1518Ca 0.55 -1.26 -0.11 0.00 -1.95 0.00 0.00 55.36 52.60 1xwe s GLN 1518Cb -0.10 -2.67 0.08 0.00 -0.22 0.00 0.00 33.01 30.10 1xwe s GLN 1518CO 0.36 -0.54 1.12 -1.21 -0.25 0.00 0.00 175.29 174.77 1xwe s GLU 1519N -4.53 1.84 0.37 2.91 2.02 -1.26 -4.68 118.70 115.37 1xwe s GLU 1519Ca 0.58 1.38 0.23 0.00 0.02 0.00 0.00 54.97 57.18 1xwe s GLU 1519Cb -0.09 -1.83 0.33 0.00 0.10 0.00 0.00 34.13 32.63 1xwe s GLU 1519CO 0.36 -1.99 1.52 0.93 0.02 0.00 0.00 175.26 176.10 1xwe h GLU 1520N -1.23 0.00 -1.85 1.61 5.08 -1.98 -3.38 114.58 112.84 1xwe h GLU 1520Ca -0.44 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.66 1xwe h GLU 1520Cb 1.25 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 30.20 1xwe h GLU 1520CO 0.48 0.00 -0.59 -0.51 -1.00 0.00 0.00 179.01 177.39 1xwe s LEU 1521N -5.84 -0.52 -0.19 1.33 1.43 -1.26 -4.68 118.68 108.95 1xwe s LEU 1521Ca 0.06 -0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 52.38 1xwe s LEU 1521Cb 0.07 0.86 0.06 0.00 0.03 0.00 0.00 46.19 47.21 1xwe s LEU 1521CO 0.69 -0.34 0.06 1.51 0.23 0.00 0.00 176.35 178.50 1xwe s ASP 1522N 2.25 2.68 -0.02 2.29 -4.77 -1.26 -4.99 116.67 112.85 1xwe s ASP 1522Ca 0.11 -0.74 0.07 0.00 -3.30 0.00 0.00 52.55 48.69 1xwe s ASP 1522Cb -0.13 -0.44 0.23 0.00 -1.09 0.00 0.00 42.92 41.49 1xwe s ASP 1522CO -0.25 -0.33 1.12 0.18 0.70 0.00 0.00 175.17 176.59 1xwe n LEU 1523N 5.15 1.63 0.01 2.11 4.77 -1.26 -3.87 117.00 125.55 1xwe n LEU 1523Ca -0.08 -0.82 -0.21 0.00 -0.03 0.00 0.00 56.01 54.87 1xwe n LEU 1523Cb 0.48 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.17 1xwe n LEU 1523CO 0.12 0.34 -0.41 0.71 -1.33 0.00 0.00 177.39 176.82 1xwe h THR 1524N 1.42 1.05 -3.49 -5.08 1.35 -2.03 -3.46 112.91 102.66 1xwe h THR 1524Ca 0.00 -2.41 -0.52 0.00 -0.55 0.00 0.00 66.41 62.93 1xwe h THR 1524Cb 0.49 2.74 0.01 0.00 -1.73 0.00 0.00 68.15 69.66 1xwe h THR 1524CO 0.04 0.71 0.52 -0.63 -0.25 0.00 0.00 175.52 175.91 1xwe s ILE 1525N -2.48 3.77 0.50 6.82 1.01 -1.25 -5.05 121.20 124.53 1xwe s ILE 1525Ca -0.19 1.48 -0.00 0.00 0.00 0.00 0.00 60.65 61.94 1xwe s ILE 1525Cb 0.04 -3.95 0.10 0.00 0.01 0.00 0.00 42.46 38.67 1xwe s ILE 1525CO 0.77 0.23 0.69 -1.20 0.00 0.00 0.00 174.94 175.44 1xwe n SER 1526N 2.59 0.90 -0.00 3.58 7.64 -1.26 -5.01 113.62 122.06 1xwe n SER 1526Ca 0.04 -1.77 -0.11 0.00 1.01 0.00 0.00 58.87 58.04 1xwe n SER 1526Cb 0.46 -0.45 -0.09 0.00 -1.01 0.00 0.00 64.21 63.12 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe h ALA 1527N -0.59 -0.10 0.00 -0.43 0.00 -1.97 -3.23 119.26 112.94 1xwe h ALA 1527Ca -0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1xwe h ALA 1527Cb 0.84 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xwe h ALA 1527CO 0.24 -0.18 -0.04 0.93 0.00 0.00 0.00 179.25 180.20 1xwe h GLU 1528N -0.85 0.00 -0.53 0.00 5.08 -1.95 -1.87 114.58 114.46 1xwe h GLU 1528Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1xwe h GLU 1528Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1xwe h GLU 1528CO 0.02 0.04 -0.04 1.15 -1.00 0.00 0.00 179.01 179.17 1xwe h THR 1529N 0.00 1.26 -0.02 1.13 2.02 -1.95 -2.66 112.91 112.69 1xwe h THR 1529Ca -0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1xwe h THR 1529Cb 0.39 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1xwe h THR 1529CO 0.01 0.41 -0.27 -2.11 0.37 0.00 0.00 175.52 173.93 1xwe n ARG 1530N -4.17 1.48 0.05 6.66 1.85 -1.03 -4.15 116.66 117.34 1xwe n ARG 1530Ca 0.02 -1.15 -0.14 0.00 -1.00 0.00 0.00 57.85 55.58 1xwe n ARG 1530Cb 0.35 -1.48 -0.14 0.00 -1.05 0.00 0.00 32.46 30.15 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 2.79 0.18 -0.07 2.89 3.11 -1.09 -3.28 116.57 121.11 1xwe h LYS 1531Ca 0.00 -0.31 0.02 0.00 -2.81 0.00 0.00 60.65 57.55 1xwe h LYS 1531Cb 0.75 0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1xwe h LYS 1531CO 0.00 1.02 0.20 1.96 -2.81 0.00 0.00 179.45 179.82 1xwe h GLN 1532N 0.05 0.00 0.01 1.90 1.08 -1.64 0.24 115.11 116.76 1xwe h GLN 1532Ca -0.22 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.76 1xwe h GLN 1532Cb 1.98 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.38 1xwe h GLN 1532CO 0.15 0.00 -1.07 1.15 -0.95 0.00 0.00 178.83 178.11 1xwe h THR 1533N 0.00 1.64 0.26 -0.54 2.02 -1.81 -3.02 112.91 111.46 1xwe h THR 1533Ca 0.03 -3.35 -0.01 0.00 0.77 0.00 0.00 66.41 63.85 1xwe h THR 1533Cb 0.43 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1xwe h THR 1533CO -0.00 0.94 -0.14 0.00 0.37 0.00 0.00 175.52 176.69 1xwe h ALA 1534N 0.96 -0.36 -0.16 6.16 0.00 -0.63 -2.17 119.26 123.05 1xwe h ALA 1534Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xwe h ALA 1534Cb 1.80 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1xwe h ALA 1534CO 0.13 -0.71 0.00 0.00 0.00 0.00 0.00 179.25 178.68 1xwe s LYS 1536N -1.79 4.34 0.14 0.00 2.20 -0.82 -4.94 119.74 118.88 1xwe s LYS 1536Ca 0.17 2.21 -0.23 0.00 -0.36 0.00 0.00 55.97 57.77 1xwe s LYS 1536Cb 0.09 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 1xwe s LYS 1536CO 0.13 -0.26 1.63 -1.00 -0.36 0.00 0.00 175.35 175.49 1xwe h PRO 1537N 4.11 -0.26 0.00 4.03 0.13 -1.90 0.19 132.00 138.30 1xwe h PRO 1537Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xwe h PRO 1537Cb 1.22 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xwe h PRO 1537CO 0.70 -0.17 0.01 1.05 -0.23 0.00 0.00 178.00 179.36 1xwe h GLU 1538N -0.27 0.00 -5.82 0.86 4.11 -1.93 -3.41 114.58 108.12 1xwe h GLU 1538Ca 0.12 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.91 1xwe h GLU 1538Cb 0.45 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1xwe h GLU 1538CO -0.35 0.00 -0.35 0.42 0.07 0.00 0.00 179.01 178.80 1xwe s ILE 1539N -3.98 5.28 -0.02 -1.06 -1.09 0.05 -3.43 121.20 116.95 1xwe s ILE 1539Ca -0.04 0.50 -0.03 0.00 -2.23 0.00 0.00 60.65 58.85 1xwe s ILE 1539Cb 0.11 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.43 1xwe s ILE 1539CO 0.35 0.59 -0.06 0.00 -1.23 0.00 0.00 174.94 174.60 1xwe n ALA 1540N 1.88 1.28 -2.88 9.38 0.00 -0.13 -4.64 120.51 125.40 1xwe n ALA 1540Ca -0.17 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.80 1xwe n ALA 1540Cb 0.54 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.40 3.27 -0.34 0.00 -0.85 -0.80 -4.60 117.35 112.63 1xwe s TYR 1541Ca -0.05 -0.04 0.01 0.00 -0.52 0.00 0.00 57.07 56.48 1xwe s TYR 1541Cb 0.01 -1.50 0.15 0.00 0.38 0.00 0.00 41.96 40.99 1xwe s TYR 1541CO 0.07 0.49 0.33 0.00 -1.52 0.00 0.00 175.55 174.92 1xwe s ALA 1542N -1.98 -0.31 0.22 9.51 0.00 -0.94 -1.94 121.76 126.32 1xwe s ALA 1542Ca 0.33 -0.81 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 1xwe s ALA 1542Cb -0.09 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 1xwe s ALA 1542CO 0.26 -1.97 0.33 1.52 0.00 0.00 0.00 175.76 175.91 1xwe s TYR 1543N 1.76 0.61 -0.03 0.00 -0.85 -0.09 -1.19 117.35 117.56 1xwe s TYR 1543Ca 0.14 -0.93 -0.02 0.00 -0.52 0.00 0.00 57.07 55.74 1xwe s TYR 1543Cb -0.15 -0.09 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 1xwe s TYR 1543CO -0.15 -0.83 0.09 -1.59 -1.52 0.00 0.00 175.55 171.56 1xwe s LYS 1544N -4.05 3.15 0.22 -3.49 -2.85 -0.73 -0.86 119.74 111.13 1xwe s LYS 1544Ca 0.26 -0.41 0.04 0.00 -1.00 0.00 0.00 55.97 54.87 1xwe s LYS 1544Cb 0.02 -2.93 -0.02 0.00 -2.06 0.00 0.00 37.83 32.85 1xwe s LYS 1544CO 0.08 0.68 0.20 1.33 0.10 0.00 0.00 175.35 177.73 1xwe n VAL 1545N 1.38 0.00 -3.72 1.79 0.24 -0.95 -0.52 118.33 116.56 1xwe n VAL 1545Ca -0.14 -1.53 -0.12 0.00 -2.04 0.00 0.00 64.34 60.50 1xwe n VAL 1545Cb 0.53 0.78 -0.12 0.00 -1.47 0.00 0.00 33.84 33.56 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 -2.50 -0.33 0.08 -1.34 0.15 -0.76 -1.84 113.70 107.17 1xwe s SER 1546Ca 0.25 0.62 -0.31 0.00 0.70 0.00 0.00 55.95 57.21 1xwe s SER 1546Cb 0.01 0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 64.74 1xwe s SER 1546CO 0.18 -0.17 1.73 -0.63 1.20 0.00 0.00 173.24 175.55 1xwe s ILE 1547N 1.31 2.90 -0.29 6.45 -1.09 -1.00 -2.05 121.20 127.44 1xwe s ILE 1547Ca -0.09 0.32 0.09 0.00 -2.23 0.00 0.00 60.65 58.74 1xwe s ILE 1547Cb -0.10 -3.21 -0.11 0.00 -1.58 0.00 0.00 42.46 37.47 1xwe s ILE 1547CO -0.10 -0.00 0.32 0.35 -1.23 0.00 0.00 174.94 174.27 1xwe n THR 1548N 4.83 0.00 -3.54 2.92 -2.24 -0.26 -1.97 114.28 114.03 1xwe n THR 1548Ca 0.17 -0.27 -0.08 0.00 -2.27 0.00 0.00 64.05 61.60 1xwe n THR 1548Cb 0.40 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xwe s SER 1549N -2.21 -0.32 -0.26 3.42 0.15 0.93 -4.93 113.70 110.48 1xwe s SER 1549Ca 0.01 0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.72 1xwe s SER 1549Cb 0.06 0.31 0.09 0.00 -1.71 0.00 0.00 66.02 64.77 1xwe s SER 1549CO 0.36 -0.48 0.09 -0.63 1.20 0.00 0.00 173.24 173.79 1xwe s ILE 1550N -2.54 0.35 -0.38 6.45 1.01 -1.26 -1.02 121.20 123.81 1xwe s ILE 1550Ca 0.05 -0.82 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 1xwe s ILE 1550Cb -0.01 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.33 1xwe s ILE 1550CO -0.06 -0.53 0.62 -0.89 0.00 0.00 0.00 174.94 174.08 1xwe s THR 1551N 1.91 4.89 -0.13 2.92 2.01 -0.30 -5.00 115.64 121.93 1xwe s THR 1551Ca 0.06 0.40 -0.13 0.00 0.31 0.00 0.00 61.69 62.32 1xwe s THR 1551Cb -0.17 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.20 1xwe s THR 1551CO -0.23 -0.39 0.29 0.54 -0.69 0.00 0.00 174.62 174.14 1xwe s VAL 1552N 2.70 5.29 0.00 3.82 0.11 -1.26 -1.24 120.40 129.82 1xwe s VAL 1552Ca 0.23 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 1xwe s VAL 1552Cb -0.14 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1xwe s VAL 1552CO 0.16 0.44 0.00 -0.62 -3.33 0.00 0.00 175.10 171.75 1xwe n GLU 1553N 3.15 2.58 0.35 1.54 1.02 -0.97 -5.02 120.64 123.30 1xwe n GLU 1553Ca -0.13 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.83 1xwe n GLU 1553Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.85 1xwe n GLU 1553CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1xwe h ASN 1554N 0.00 -0.72 0.00 1.62 -0.26 -2.04 -3.42 115.58 110.76 1xwe h ASN 1554Ca 0.00 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1xwe h ASN 1554Cb 0.00 0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1xwe h ASN 1554CO 0.00 -0.51 -0.87 0.52 -1.06 0.00 0.00 177.43 175.52 1xwe n VAL 1555N -5.45 0.00 -2.21 2.81 0.31 -1.26 -5.07 118.33 107.45 1xwe n VAL 1555Ca -0.13 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.94 1xwe n VAL 1555Cb 0.35 -0.95 0.06 0.00 -0.91 0.00 0.00 33.84 32.39 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 -1.94 2.98 -0.02 3.52 0.40 -1.26 -3.09 117.98 118.57 1xwe s PHE 1556Ca 0.00 0.50 -0.05 0.00 -0.60 0.00 0.00 56.93 56.79 1xwe s PHE 1556Cb 0.00 -3.12 0.00 0.00 0.51 0.00 0.00 43.02 40.41 1xwe s PHE 1556CO 0.00 -1.31 0.10 0.08 0.70 0.00 0.00 175.22 174.79 1xwe s VAL 1557N -3.22 0.04 -0.24 -0.44 1.01 0.92 -2.28 120.40 116.19 1xwe s VAL 1557Ca 0.59 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.25 1xwe s VAL 1557Cb -0.11 -0.26 0.06 0.00 0.00 0.00 0.00 36.38 36.07 1xwe s VAL 1557CO 0.45 -0.18 -0.07 -0.54 0.00 0.00 0.00 175.10 174.76 1xwe s LYS 1558N -0.58 1.80 -0.50 2.72 1.02 -0.37 -1.36 119.74 122.47 1xwe s LYS 1558Ca -0.07 -1.10 -0.23 0.00 0.02 0.00 0.00 55.97 54.60 1xwe s LYS 1558Cb -0.04 -2.68 0.04 0.00 -0.52 0.00 0.00 37.83 34.63 1xwe s LYS 1558CO 0.00 -0.59 0.82 0.71 -0.92 0.00 0.00 175.35 175.38 1xwe s TYR 1559N 1.31 2.92 -0.24 3.18 2.02 -0.61 -1.15 117.35 124.78 1xwe s TYR 1559Ca -0.07 -0.02 -0.25 0.00 -0.37 0.00 0.00 57.07 56.36 1xwe s TYR 1559Cb -0.19 -3.81 -0.01 0.00 -0.40 0.00 0.00 41.96 37.55 1xwe s TYR 1559CO -0.06 -1.14 0.83 0.21 -1.57 0.00 0.00 175.55 173.82 1xwe s LYS 1560N 3.45 4.19 0.11 -0.62 2.47 -0.18 -1.57 119.74 127.59 1xwe s LYS 1560Ca 0.28 0.95 -0.02 0.00 -1.56 0.00 0.00 55.97 55.62 1xwe s LYS 1560Cb -0.13 -3.64 -0.03 0.00 -1.46 0.00 0.00 37.83 32.56 1xwe s LYS 1560CO 0.20 -0.50 0.07 0.00 0.16 0.00 0.00 175.35 175.27 1xwe s ALA 1561N 2.79 0.62 0.01 3.13 0.00 -0.98 -0.05 121.76 127.27 1xwe s ALA 1561Ca 0.35 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1xwe s ALA 1561Cb -0.15 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 1xwe s ALA 1561CO 0.08 -0.48 -0.06 0.99 0.00 0.00 0.00 175.76 176.29 1xwe s THR 1562N -4.00 3.69 -0.21 0.00 2.01 -0.87 -2.77 115.64 113.49 1xwe s THR 1562Ca 0.18 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1xwe s THR 1562Cb 0.07 -2.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.97 1xwe s THR 1562CO -0.02 0.39 1.16 -0.22 -0.69 0.00 0.00 174.62 175.23 1xwe s LEU 1563N -1.45 4.12 -0.06 4.42 0.20 -1.06 -1.83 118.68 123.02 1xwe s LEU 1563Ca 0.17 1.49 -0.26 0.00 0.69 0.00 0.00 54.13 56.23 1xwe s LEU 1563Cb -0.11 -3.54 -0.23 0.00 -0.43 0.00 0.00 46.19 41.88 1xwe s LEU 1563CO 0.08 -0.75 1.06 -0.07 -0.29 0.00 0.00 176.35 176.38 1xwe h LEU 1564N 9.69 0.10 -7.00 -0.68 4.07 -1.11 -2.87 115.31 117.51 1xwe h LEU 1564Ca -0.23 -0.72 0.06 0.00 0.08 0.00 0.00 57.88 57.07 1xwe h LEU 1564Cb 1.08 -0.03 -0.26 0.00 1.08 0.00 0.00 40.66 42.54 1xwe h LEU 1564CO 0.98 0.81 0.46 -0.62 -1.08 0.00 0.00 178.44 178.99 1xwe s ASP 1565N -6.07 -0.45 -0.17 -0.43 2.15 -0.99 -4.51 116.67 106.20 1xwe s ASP 1565Ca -0.17 0.81 -0.13 0.00 0.43 0.00 0.00 52.55 53.49 1xwe s ASP 1565Cb 0.00 0.80 -0.05 0.00 -0.30 0.00 0.00 42.92 43.38 1xwe s ASP 1565CO 0.71 -0.19 0.26 -0.63 -0.17 0.00 0.00 175.17 175.15 1xwe s ILE 1566N 0.01 5.33 -0.30 4.11 1.01 -1.26 -1.77 121.20 128.34 1xwe s ILE 1566Ca 0.02 0.47 0.15 0.00 0.00 0.00 0.00 60.65 61.30 1xwe s ILE 1566Cb -0.04 -3.60 -0.21 0.00 0.01 0.00 0.00 42.46 38.62 1xwe s ILE 1566CO -0.05 0.40 0.45 -1.22 0.00 0.00 0.00 174.94 174.52 1xwe n TYR 1567N 3.59 0.00 -3.39 3.97 4.02 -0.63 -4.90 117.16 119.82 1xwe n TYR 1567Ca -0.13 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.70 1xwe n TYR 1567Cb 0.52 -0.21 -0.07 0.00 -0.02 0.00 0.00 39.34 39.56 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1xwe s LYS 1568N -2.78 0.39 0.44 -0.72 2.20 -0.33 -4.64 119.74 114.29 1xwe s LYS 1568Ca -0.01 0.76 -0.22 0.00 -0.36 0.00 0.00 55.97 56.15 1xwe s LYS 1568Cb 0.10 -0.06 -0.13 0.00 -1.51 0.00 0.00 37.83 36.23 1xwe s LYS 1568CO 0.62 -0.54 0.45 2.41 -0.36 0.00 0.00 175.35 177.93 1xwe n THR 1569N 5.39 1.58 -3.80 3.43 -1.04 -1.26 -2.22 114.28 116.36 1xwe n THR 1569Ca -0.04 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.11 1xwe n THR 1569Cb 0.50 -0.45 -0.08 0.00 -1.82 0.00 0.00 70.33 68.48 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 -0.98 2.04 0.55 3.41 0.00 -1.26 -4.26 107.32 106.81 1xwe s GLY 1570Ca 0.63 -0.69 0.24 0.00 0.00 0.00 0.00 44.72 44.89 1xwe s GLY 1570CO 0.59 0.04 2.13 0.83 0.00 0.00 0.00 173.10 176.69 1xwe h GLU 1571N 6.40 0.00 -1.66 2.90 4.39 -1.93 -1.73 114.58 122.96 1xwe h GLU 1571Ca -0.43 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 58.95 1xwe h GLU 1571Cb 1.16 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.68 1xwe h GLU 1571CO 0.72 0.00 0.35 0.00 -1.16 0.00 0.00 179.01 178.93 1xwe n ALA 1572N -2.46 5.32 -2.79 3.43 0.00 -1.26 -4.86 120.51 117.89 1xwe n ALA 1572Ca 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 53.44 51.65 1xwe n ALA 1572Cb 0.24 -1.51 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 1xwe n ALA 1572CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xwe n VAL 1573N 0.60-10.47 -4.89 0.00 0.31 -0.67 -4.85 118.33 98.36 1xwe n VAL 1573Ca 0.32 1.73 -0.33 0.00 -0.01 0.00 0.00 64.34 66.05 1xwe n VAL 1573Cb 0.58 -6.23 -0.14 0.00 -0.91 0.00 0.00 33.84 27.14 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xwe s ALA 1574N -1.41 2.61 0.02 3.52 0.00 -1.10 -4.92 121.76 120.49 1xwe s ALA 1574Ca -0.03 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1xwe s ALA 1574Cb 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1xwe s ALA 1574CO 0.66 0.46 -0.04 -1.21 0.00 0.00 0.00 175.76 175.62 1xwe s GLU 1575N -0.37 0.35 -0.17 0.00 2.02 -1.26 -4.55 118.70 114.72 1xwe s GLU 1575Ca 0.04 -0.61 -0.36 0.00 0.02 0.00 0.00 54.97 54.06 1xwe s GLU 1575Cb -0.12 -0.00 -0.13 0.00 0.10 0.00 0.00 34.13 33.98 1xwe s GLU 1575CO 0.02 -0.02 1.87 1.17 0.02 0.00 0.00 175.26 178.32 1xwe n LYS 1576N 1.66 1.77 -2.85 1.61 0.00 -1.26 -2.58 118.16 116.51 1xwe n LYS 1576Ca -0.23 0.64 -0.01 0.00 0.00 0.00 0.00 58.31 58.71 1xwe n LYS 1576Cb 0.55 -2.47 0.01 0.00 0.00 0.00 0.00 35.03 33.12 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xwe n ASP 1577N 6.61 -6.90 -1.26 3.14 2.03 -1.08 -5.04 116.55 114.05 1xwe n ASP 1577Ca 0.25 -0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1xwe n ASP 1577Cb 0.24 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 35.95 1xwe n ASP 1577CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xwe n SER 1578N -1.78 1.20 -4.52 1.67 2.88 -1.06 -4.80 113.62 107.19 1xwe n SER 1578Ca -0.01 -0.63 -0.34 0.00 -1.33 0.00 0.00 58.87 56.57 1xwe n SER 1578Cb 0.51 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1xwe s GLU 1579N -0.59 3.07 -0.01 -1.46 2.12 -1.26 -2.56 118.70 118.02 1xwe s GLU 1579Ca 0.00 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.74 1xwe s GLU 1579Cb 0.00 -2.67 -0.00 0.00 0.26 0.00 0.00 34.13 31.72 1xwe s GLU 1579CO 0.00 0.49 0.04 0.96 -0.54 0.00 0.00 175.26 176.21 1xwe s ILE 1580N -0.33 0.03 -0.26 -3.70 -4.36 -1.12 -5.00 121.20 106.46 1xwe s ILE 1580Ca 0.05 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.18 1xwe s ILE 1580Cb -0.12 -0.15 0.08 0.00 1.25 0.00 0.00 42.46 43.51 1xwe s ILE 1580CO 0.02 -0.14 0.01 -0.89 0.24 0.00 0.00 174.94 174.18 1xwe s THR 1581N -0.43 1.32 -0.63 8.37 2.01 -1.26 -2.32 115.64 122.70 1xwe s THR 1581Ca -0.05 -1.34 -0.28 0.00 0.31 0.00 0.00 61.69 60.33 1xwe s THR 1581Cb -0.03 -1.78 0.03 0.00 0.01 0.00 0.00 72.50 70.73 1xwe s THR 1581CO -0.00 -0.34 1.20 -0.36 -0.69 0.00 0.00 174.62 174.43 1xwe s PHE 1582N 1.45 2.52 -0.23 4.92 0.40 -0.61 -1.46 117.98 124.97 1xwe s PHE 1582Ca 0.01 0.25 -0.27 0.00 -0.60 0.00 0.00 56.93 56.32 1xwe s PHE 1582Cb -0.18 -4.53 0.00 0.00 0.51 0.00 0.00 43.02 38.82 1xwe s PHE 1582CO -0.12 -1.72 0.95 0.42 0.70 0.00 0.00 175.22 175.46 1xwe s ILE 1583N 5.13 4.75 0.05 0.64 -1.09 -0.18 -1.57 121.20 128.93 1xwe s ILE 1583Ca 0.40 1.85 -0.04 0.00 -2.23 0.00 0.00 60.65 60.63 1xwe s ILE 1583Cb -0.08 -4.23 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1xwe s ILE 1583CO 0.22 -0.13 0.06 -0.75 -1.23 0.00 0.00 174.94 173.11 1xwe s LYS 1584N 3.00 0.64 0.50 2.79 2.20 -0.47 -2.98 119.74 125.42 1xwe s LYS 1584Ca 0.41 -0.99 -0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1xwe s LYS 1584Cb -0.15 0.24 0.10 0.00 -1.51 0.00 0.00 37.83 36.51 1xwe s LYS 1584CO 0.07 -0.15 0.69 1.63 -0.36 0.00 0.00 175.35 177.22 1xwe n LYS 1585N 0.35 0.08 0.00 4.03 4.01 -1.26 -0.05 118.16 125.31 1xwe n LYS 1585Ca -0.16 -1.82 0.10 0.00 -0.51 0.00 0.00 58.31 55.92 1xwe n LYS 1585Cb 0.60 -0.47 -0.10 0.00 -0.51 0.00 0.00 35.03 34.55 1xwe n LYS 1585CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 1xwe n VAL 1586N -2.42 0.00 0.20 -0.18 3.14 -1.18 -4.26 118.33 113.64 1xwe n VAL 1586Ca 0.11 -0.05 0.07 0.00 -2.96 0.00 0.00 64.34 61.51 1xwe n VAL 1586Cb 0.40 1.04 0.40 0.00 -1.06 0.00 0.00 33.84 34.62 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 0.37 0.76 -3.36 1.55 1.35 -1.95 -3.45 112.91 108.18 1xwe h THR 1587Ca 0.00 -1.31 -0.45 0.00 -0.55 0.00 0.00 66.41 64.10 1xwe h THR 1587Cb 0.53 1.83 0.21 0.00 -1.73 0.00 0.00 68.15 68.99 1xwe h THR 1587CO 0.00 0.30 0.03 0.00 -0.25 0.00 0.00 175.52 175.60 1xwe n THR 1589N -4.90 0.00 0.32 0.00 -1.04 -0.89 -4.90 114.28 102.87 1xwe n THR 1589Ca 0.04 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.10 1xwe n THR 1589Cb 0.54 0.08 -0.07 0.00 -1.82 0.00 0.00 70.33 69.05 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xwe n ASN 1590N 0.00 1.21 -2.27 8.00 3.02 -1.25 -4.55 115.26 119.43 1xwe n ASN 1590Ca 0.00 -0.48 -0.33 0.00 -0.03 0.00 0.00 54.58 53.74 1xwe n ASN 1590Cb 0.00 1.18 0.07 0.00 -0.61 0.00 0.00 39.78 40.42 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe n ALA 1591N -1.47 6.10 -2.49 5.41 0.00 -1.26 -3.98 120.51 122.82 1xwe n ALA 1591Ca 0.01 -3.51 -0.42 0.00 0.00 0.00 0.00 53.44 49.51 1xwe n ALA 1591Cb 0.21 -1.53 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 1xwe n ALA 1591CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1xwe s GLU 1592N -3.77 3.08 0.29 0.00 2.02 -1.26 -5.01 118.70 114.04 1xwe s GLU 1592Ca 0.62 -0.94 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1xwe s GLU 1592Cb 0.49 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 1xwe s GLU 1592CO 0.00 -0.68 0.48 -0.51 0.02 0.00 0.00 175.26 174.57 1xwe s LEU 1593N 1.68 4.12 0.01 1.80 1.02 -1.26 -5.11 118.68 120.94 1xwe s LEU 1593Ca 0.05 0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.58 1xwe s LEU 1593Cb -0.19 -3.20 -0.04 0.00 0.02 0.00 0.00 46.19 42.78 1xwe s LEU 1593CO 0.10 -0.20 0.08 -0.69 0.02 0.00 0.00 176.35 175.66 1xwe s VAL 1594N -2.15 4.66 0.24 -1.59 1.01 -1.26 -5.10 120.40 116.21 1xwe s VAL 1594Ca 0.39 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1xwe s VAL 1594Cb -0.10 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 1xwe s VAL 1594CO 0.33 0.32 0.88 -0.75 0.00 0.00 0.00 175.10 175.87 1xwe s LYS 1595N -1.83 4.66 0.00 2.72 2.20 -1.26 -3.63 119.74 122.59 1xwe s LYS 1595Ca 0.24 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.15 1xwe s LYS 1595Cb -0.12 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1xwe s LYS 1595CO 0.15 0.46 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 1xwe n GLY 1596N 1.21 1.62 4.01 5.54 0.00 -0.83 -5.02 105.19 111.72 1xwe n GLY 1596Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1xwe n GLY 1596CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwe s ARG 1597N -0.67 2.69 -0.11 1.61 0.52 -1.24 -4.91 118.95 116.84 1xwe s ARG 1597Ca 0.00 -1.31 -0.00 0.00 -0.52 0.00 0.00 55.73 53.90 1xwe s ARG 1597Cb 0.00 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.73 1xwe s ARG 1597CO 0.00 -0.43 -0.09 -0.65 0.02 0.00 0.00 175.30 174.15 1xwe s GLN 1598N -4.44 3.21 0.00 3.54 -0.21 -1.26 -2.37 119.66 118.14 1xwe s GLN 1598Ca 0.57 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 55.36 1xwe s GLN 1598Cb -0.09 -2.67 -0.01 0.00 1.00 0.00 0.00 33.01 31.24 1xwe s GLN 1598CO 0.35 0.37 -0.07 0.71 -2.12 0.00 0.00 175.29 174.53 1xwe s TYR 1599N -0.04 0.61 0.26 0.91 1.51 -0.77 -2.26 117.35 117.57 1xwe s TYR 1599Ca -0.01 -0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 1xwe s TYR 1599Cb -0.14 -0.38 -0.09 0.00 -0.11 0.00 0.00 41.96 41.24 1xwe s TYR 1599CO 0.03 -0.02 0.99 -1.17 -1.11 0.00 0.00 175.55 174.27 1xwe s LEU 1600N -0.39 4.59 -0.11 -1.29 2.96 -0.07 -2.23 118.68 122.14 1xwe s LEU 1600Ca 0.01 2.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1xwe s LEU 1600Cb -0.04 -3.66 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1xwe s LEU 1600CO -0.00 0.04 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.35 1xwe s ILE 1601N -1.22 1.09 -0.22 6.68 -1.09 -0.04 -2.00 121.20 124.41 1xwe s ILE 1601Ca 0.43 -0.35 -0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1xwe s ILE 1601Cb -0.27 -1.09 0.10 0.00 -1.58 0.00 0.00 42.46 39.62 1xwe s ILE 1601CO 0.34 0.38 0.24 -0.04 -1.23 0.00 0.00 174.94 174.62 1xwe s MET 1602N 1.54 0.21 0.01 2.79 -1.94 -0.13 -0.91 119.30 120.87 1xwe s MET 1602Ca 0.02 0.18 -0.08 0.00 -1.71 0.00 0.00 55.69 54.11 1xwe s MET 1602Cb -0.13 -1.11 0.03 0.00 2.01 0.00 0.00 34.83 35.62 1xwe s MET 1602CO -0.07 -0.69 0.36 0.41 -0.01 0.00 0.00 175.02 175.02 1xwe n GLY 1603N 5.32 0.67 3.48 -0.03 0.00 -0.82 -0.72 105.19 113.09 1xwe n GLY 1603Ca -0.05 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.26 -0.04 -0.48 1.61 3.00 -1.22 -0.95 118.16 119.83 1xwe n LYS 1604Ca 0.01 0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.24 1xwe n LYS 1604Cb 0.17 -1.96 0.10 0.00 0.00 0.00 0.00 35.03 33.35 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 -1.72 -1.70 -2.14 1.64 0.28 -1.26 -4.63 120.64 111.10 1xwe n GLU 1605Ca 0.09 -0.73 -0.17 0.00 -0.16 0.00 0.00 57.16 56.19 1xwe n GLU 1605Cb 0.52 -0.66 0.08 0.00 1.43 0.00 0.00 31.44 32.81 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe n ALA 1606N -3.71 0.29 -2.26 -1.84 0.00 -1.26 -4.71 120.51 107.02 1xwe n ALA 1606Ca -0.08 -1.48 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1xwe n ALA 1606Cb 0.24 0.27 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 -3.24 0.00 4.77 -1.17 -4.88 117.00 112.49 1xwe n LEU 1607Ca 0.12 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 1xwe n LEU 1607Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1xwe n LEU 1607CO 0.30 -0.45 0.01 -1.58 -1.33 0.00 0.00 177.39 174.34 1xwe s GLN 1608N -1.87 0.53 -0.14 3.23 0.74 -1.22 -4.39 119.66 116.54 1xwe s GLN 1608Ca 0.00 0.20 0.15 0.00 0.05 0.00 0.00 55.36 55.75 1xwe s GLN 1608Cb 0.00 -0.07 0.33 0.00 1.10 0.00 0.00 33.01 34.37 1xwe s GLN 1608CO 0.00 -1.07 1.17 -0.89 -0.55 0.00 0.00 175.29 173.95 1xwe n ILE 1609N 5.22 1.68 -1.58 -2.34 5.41 -0.41 -4.98 119.36 122.36 1xwe n ILE 1609Ca 0.04 -2.33 -0.46 0.00 1.00 0.00 0.00 62.75 61.00 1xwe n ILE 1609Cb 0.52 -0.06 -0.02 0.00 -0.71 0.00 0.00 39.64 39.36 1xwe n ILE 1609CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1xwe n LYS 1610N -1.01 1.24 -0.00 0.38 2.85 -1.26 -4.30 118.16 116.06 1xwe n LYS 1610Ca 0.15 0.44 -0.00 0.00 -1.05 0.00 0.00 58.31 57.84 1xwe n LYS 1610Cb 0.71 -1.82 -0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1xwe n TYR 1611N 0.57 0.00 0.15 5.58 9.36 -1.16 -4.88 117.16 126.78 1xwe n TYR 1611Ca 0.11 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.33 1xwe n TYR 1611Cb 0.30 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.99 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 -2.61 -2.62 -0.15 2.98 2.85 -1.26 -4.96 115.26 109.49 1xwe n ASN 1612Ca -0.00 0.72 -0.11 0.00 -0.11 0.00 0.00 54.58 55.08 1xwe n ASN 1612Cb 0.02 2.61 0.02 0.00 1.24 0.00 0.00 39.78 43.66 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xwe h ALA 1613N 0.00 0.73 -2.84 5.20 0.00 -2.02 -3.45 119.26 116.88 1xwe h ALA 1613Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1xwe h ALA 1613Cb 0.00 -0.17 -0.23 0.00 0.00 0.00 0.00 17.79 17.40 1xwe h ALA 1613CO 0.00 0.67 -0.37 0.45 0.00 0.00 0.00 179.25 180.00 1xwe s SER 1614N -6.73 -0.21 0.12 0.00 0.15 -1.26 -5.16 113.70 100.61 1xwe s SER 1614Ca -0.11 0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.73 1xwe s SER 1614Cb 0.12 0.43 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 1xwe s SER 1614CO 0.86 -0.25 0.44 0.72 1.20 0.00 0.00 173.24 176.21 1xwe s PHE 1615N -0.56 3.55 -0.64 3.44 -0.12 -1.26 -2.98 117.98 119.40 1xwe s PHE 1615Ca -0.07 0.80 -0.07 0.00 -0.05 0.00 0.00 56.93 57.55 1xwe s PHE 1615Cb -0.04 -2.18 0.17 0.00 -0.63 0.00 0.00 43.02 40.34 1xwe s PHE 1615CO 0.02 0.46 0.49 1.03 -0.05 0.00 0.00 175.22 177.17 1xwe s ARG 1616N -2.17 2.78 -0.24 1.99 1.81 -1.26 -4.83 118.95 117.03 1xwe s ARG 1616Ca 0.37 -2.37 0.11 0.00 -1.72 0.00 0.00 55.73 52.12 1xwe s ARG 1616Cb -0.13 -3.92 0.46 0.00 -0.45 0.00 0.00 34.95 30.90 1xwe s ARG 1616CO 0.20 -1.20 1.35 0.66 -0.68 0.00 0.00 175.30 175.63 1xwe n TYR 1617N 3.87 0.61 -1.58 -0.53 4.02 -1.26 -1.29 117.16 121.00 1xwe n TYR 1617Ca 0.06 -1.46 -0.40 0.00 -0.01 0.00 0.00 57.90 56.09 1xwe n TYR 1617Cb 0.41 -0.37 0.02 0.00 -0.02 0.00 0.00 39.34 39.38 1xwe n TYR 1617CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1xwe n ILE 1618N -1.10 2.66 -3.51 -0.72 -6.64 -1.26 -4.48 119.36 104.31 1xwe n ILE 1618Ca 0.26 -0.50 -0.38 0.00 -1.77 0.00 0.00 62.75 60.36 1xwe n ILE 1618Cb 0.87 -1.05 -0.09 0.00 -1.44 0.00 0.00 39.64 37.93 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1xwe s TYR 1619N -1.40 3.29 0.58 4.28 1.51 -0.54 -3.03 117.35 122.04 1xwe s TYR 1619Ca 0.67 0.35 -0.10 0.00 -1.01 0.00 0.00 57.07 56.98 1xwe s TYR 1619Cb -0.51 -2.43 0.14 0.00 -0.11 0.00 0.00 41.96 39.05 1xwe s TYR 1619CO 0.54 -0.08 0.49 -0.35 -1.11 0.00 0.00 175.55 175.04 1xwe n PRO 1620N 4.77 -2.16 -3.19 -1.71 -0.04 -1.26 -1.02 135.00 130.39 1xwe n PRO 1620Ca -0.11 -0.78 0.01 0.00 -0.04 0.00 0.00 63.50 62.58 1xwe n PRO 1620Cb 0.51 -0.76 -0.01 0.00 -0.04 0.00 0.00 33.50 33.20 1xwe n PRO 1620CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xwe s LEU 1621N 0.00 -1.50 0.00 1.53 2.96 -1.16 -4.40 118.68 116.11 1xwe s LEU 1621Ca 0.32 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1xwe s LEU 1621Cb -0.03 1.91 -0.00 0.00 0.50 0.00 0.00 46.19 48.57 1xwe s LEU 1621CO 0.25 -0.25 0.03 0.47 -1.32 0.00 0.00 176.35 175.53 1xwe n ASP 1622N 4.96 2.48 0.23 3.68 9.92 -1.22 -4.70 116.55 131.89 1xwe n ASP 1622Ca 0.08 -2.51 0.16 0.00 -0.53 0.00 0.00 54.79 51.98 1xwe n ASP 1622Cb 0.55 0.37 0.79 0.00 -0.64 0.00 0.00 41.12 42.19 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1xwe h SER 1623N 0.91 0.00 -0.18 -2.24 4.64 -1.73 -0.89 113.55 114.06 1xwe h SER 1623Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1xwe h SER 1623Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1xwe h SER 1623CO 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 1xwe n LEU 1624N -2.66 1.08 -4.40 5.97 -0.00 -1.26 -4.73 117.00 111.00 1xwe n LEU 1624Ca -0.01 -0.54 -0.44 0.00 -0.00 0.00 0.00 56.01 55.02 1xwe n LEU 1624Cb 0.13 -0.16 -0.09 0.00 -0.00 0.00 0.00 43.42 43.31 1xwe n LEU 1624CO 0.18 0.25 -0.01 -0.89 -0.00 0.00 0.00 177.39 176.92 1xwe s THR 1625N -1.73 5.18 -0.61 1.47 2.01 -0.34 -4.44 115.64 117.19 1xwe s THR 1625Ca 0.12 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 60.90 1xwe s THR 1625Cb 0.07 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.57 1xwe s THR 1625CO 0.08 -0.48 1.33 0.86 -0.69 0.00 0.00 174.62 175.71 1xwe s TRP 1626N 1.64 2.37 0.00 4.92 -0.11 0.10 -4.79 118.94 123.07 1xwe s TRP 1626Ca 0.04 0.35 0.08 0.00 1.22 0.00 0.00 56.10 57.79 1xwe s TRP 1626Cb -0.22 -4.48 -0.02 0.00 -1.50 0.00 0.00 33.47 27.25 1xwe s TRP 1626CO 0.07 -1.88 -0.25 0.42 -4.62 0.00 0.00 176.95 170.69 1xwe s ILE 1627N 5.73 2.00 0.24 5.86 1.01 -1.26 -0.95 121.20 133.82 1xwe s ILE 1627Ca 0.46 -1.16 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1xwe s ILE 1627Cb -0.09 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1xwe s ILE 1627CO 0.23 0.48 0.19 -0.62 0.00 0.00 0.00 174.94 175.22 1xwe n GLU 1628N 2.24 0.34 -4.86 2.79 1.02 -0.85 -2.15 120.64 119.17 1xwe n GLU 1628Ca -0.16 -2.35 -0.33 0.00 -0.02 0.00 0.00 57.16 54.30 1xwe n GLU 1628Cb 0.52 1.84 -0.14 0.00 -0.02 0.00 0.00 31.44 33.64 1xwe n GLU 1628CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1xwe s TYR 1629N -2.91 2.74 -0.47 -0.32 6.14 -1.26 -0.89 117.35 120.38 1xwe s TYR 1629Ca 0.26 -0.40 -0.10 0.00 0.64 0.00 0.00 57.07 57.48 1xwe s TYR 1629Cb 0.01 -1.72 0.11 0.00 0.42 0.00 0.00 41.96 40.78 1xwe s TYR 1629CO 0.19 -0.01 0.34 -0.46 0.64 0.00 0.00 175.55 176.25 1xwe s TRP 1630N -0.22 3.40 -0.31 4.97 -0.11 -0.96 -4.83 118.94 120.87 1xwe s TRP 1630Ca 0.01 -1.78 -0.34 0.00 1.22 0.00 0.00 56.10 55.21 1xwe s TRP 1630Cb -0.13 -3.44 -0.10 0.00 -1.50 0.00 0.00 33.47 28.30 1xwe s TRP 1630CO 0.03 -0.97 2.18 -2.30 -4.62 0.00 0.00 176.95 171.26 1xwe n PRO 1631N 4.94 1.28 0.00 5.86 -0.02 -1.26 -4.65 135.00 141.14 1xwe n PRO 1631Ca -0.09 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 61.90 1xwe n PRO 1631Cb 0.41 -2.61 0.72 0.00 -0.02 0.00 0.00 33.50 32.01 1xwe n PRO 1631CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xwe n ARG 1632N 8.20 0.50 -3.55 -0.52 1.74 -1.26 -4.70 116.66 117.08 1xwe n ARG 1632Ca 0.38 -0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 57.01 1xwe n ARG 1632Cb 0.27 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.10 1xwe n ARG 1632CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xwe s ASP 1633N -2.54 5.99 0.00 0.55 1.11 -1.26 -4.86 116.67 115.66 1xwe s ASP 1633Ca 0.29 -0.43 0.00 0.00 0.18 0.00 0.00 52.55 52.59 1xwe s ASP 1633Cb 0.20 -2.12 0.00 0.00 1.07 0.00 0.00 42.92 42.07 1xwe s ASP 1633CO 0.47 -0.23 0.19 0.35 1.18 0.00 0.00 175.17 177.13 1xwe n THR 1634N 5.09 0.03 1.51 -1.27 -2.24 -1.26 -4.42 114.28 111.72 1xwe n THR 1634Ca -0.13 -0.16 0.14 0.00 -2.27 0.00 0.00 64.05 61.63 1xwe n THR 1634Cb 0.50 1.62 0.60 0.00 -2.10 0.00 0.00 70.33 70.95 1xwe n THR 1634CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xwe n THR 1635N -0.01 0.00 -2.74 4.28 -2.24 -1.26 -4.72 114.28 107.59 1xwe n THR 1635Ca 0.00 -0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.44 1xwe n THR 1635Cb 0.20 0.12 0.08 0.00 -2.10 0.00 0.00 70.33 68.63 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe s SER 1637N -4.65 6.47 -1.40 0.00 0.15 -1.26 -4.18 113.70 108.83 1xwe s SER 1637Ca 0.63 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.84 1xwe s SER 1637Cb -0.06 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1xwe s SER 1637CO 0.41 0.29 0.00 -1.20 1.20 0.00 0.00 173.24 173.94 1xwe n SER 1638N 2.53 -5.46 -0.05 5.45 7.64 -1.26 -4.77 113.62 117.70 1xwe n SER 1638Ca -0.16 0.33 -0.00 0.00 1.01 0.00 0.00 58.87 60.05 1xwe n SER 1638Cb 0.53 -4.25 -0.14 0.00 -1.01 0.00 0.00 64.21 59.35 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 -2.41 1.87 -0.31 0.00 10.64 -1.26 -4.16 117.38 121.76 1xwe n GLN 1640Ca -0.16 -1.26 -0.05 0.00 -1.83 0.00 0.00 57.00 53.70 1xwe n GLN 1640Cb 0.79 -1.31 0.07 0.00 -0.86 0.00 0.00 30.24 28.93 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xwe h ALA 1641N 3.59 1.07 -0.19 2.61 0.00 -1.95 -1.76 119.26 122.63 1xwe h ALA 1641Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1xwe h ALA 1641Cb 0.51 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xwe h ALA 1641CO 0.02 0.61 -0.18 0.35 0.00 0.00 0.00 179.25 180.05 1xwe h PHE 1642N 1.17 0.34 -0.04 0.00 3.57 -1.90 -2.59 116.94 117.49 1xwe h PHE 1642Ca 0.29 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.58 1xwe h PHE 1642Cb 0.08 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xwe h PHE 1642CO 0.01 0.49 -0.67 -0.07 -2.23 0.00 0.00 178.31 175.83 1xwe h LEU 1643N 0.29 0.23 -0.18 0.59 -0.00 -1.69 -3.08 115.31 111.47 1xwe h LEU 1643Ca 0.05 -0.15 0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1xwe h LEU 1643Cb 0.49 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.07 1xwe h LEU 1643CO 0.03 0.84 0.09 0.00 -0.00 0.00 0.00 178.44 179.40 1xwe h ALA 1644N 1.16 0.21 0.00 1.53 0.00 -0.93 0.12 119.26 121.36 1xwe h ALA 1644Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xwe h ALA 1644Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xwe h ALA 1644CO 0.10 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.11 1xwe n ASN 1645N -5.01 0.00 -0.06 0.00 3.02 -1.18 -2.48 115.26 109.56 1xwe n ASN 1645Ca -0.03 -0.08 -0.01 0.00 -0.03 0.00 0.00 54.58 54.42 1xwe n ASN 1645Cb 0.05 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 38.81 1xwe n ASN 1645CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1xwe n LEU 1646N -1.25 0.04 -0.32 3.41 7.94 -0.28 -3.99 117.00 122.55 1xwe n LEU 1646Ca 0.10 0.02 -0.03 0.00 -1.11 0.00 0.00 56.01 54.99 1xwe n LEU 1646Cb 0.15 0.28 0.09 0.00 0.53 0.00 0.00 43.42 44.47 1xwe n LEU 1646CO 0.15 0.29 1.23 0.44 -1.11 0.00 0.00 177.39 178.39 1xwe h ASP 1647N 0.00 0.98 0.04 1.96 3.32 -0.51 -0.91 116.42 121.30 1xwe h ASP 1647Ca -0.32 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1xwe h ASP 1647Cb 1.73 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 1xwe h ASP 1647CO 0.02 0.70 -0.03 -0.08 -1.72 0.00 0.00 179.24 178.13 1xwe h GLU 1648N 1.15 0.00 0.08 3.56 4.81 -1.76 -1.58 114.58 120.83 1xwe h GLU 1648Ca 0.32 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.31 1xwe h GLU 1648Cb -0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1xwe h GLU 1648CO -0.08 0.03 -1.14 0.35 -0.73 0.00 0.00 179.01 177.44 1xwe h PHE 1649N 0.00 0.30 0.00 0.92 3.57 -1.41 -1.47 116.94 118.85 1xwe h PHE 1649Ca -0.00 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1xwe h PHE 1649Cb 0.05 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 1xwe h PHE 1649CO 0.00 1.16 -0.05 0.00 -2.23 0.00 0.00 178.31 177.19 1xwe h ALA 1650N 0.75 1.37 0.00 2.41 0.00 -0.43 -2.63 119.26 120.73 1xwe h ALA 1650Ca -0.08 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.45 1xwe h ALA 1650Cb 1.88 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.60 1xwe h ALA 1650CO 0.17 0.06 -2.25 -0.85 0.00 0.00 0.00 179.25 176.39 1xwe n GLU 1651N -3.69 0.80 0.05 0.00 0.28 -1.16 -3.81 120.64 113.11 1xwe n GLU 1651Ca -0.02 0.07 0.05 0.00 -0.16 0.00 0.00 57.16 57.10 1xwe n GLU 1651Cb 0.15 -1.45 0.23 0.00 1.43 0.00 0.00 31.44 31.80 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1xwe n ASP 1652N -2.94 0.18 -0.07 -1.84 2.03 -0.55 0.78 116.55 114.12 1xwe n ASP 1652Ca -0.35 0.57 -0.07 0.00 0.52 0.00 0.00 54.79 55.45 1xwe n ASP 1652Cb 0.99 -0.60 -0.11 0.00 -0.72 0.00 0.00 41.12 40.68 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 -1.72 0.98 -0.10 5.18 0.13 -1.01 -2.26 119.36 120.56 1xwe n ILE 1653Ca 0.01 -0.58 -0.15 0.00 -1.10 0.00 0.00 62.75 60.92 1xwe n ILE 1653Cb 0.06 -0.67 -0.06 0.00 -0.84 0.00 0.00 39.64 38.13 1xwe n ILE 1653CO 0.00 0.00 0.00 0.33 2.80 0.00 0.00 176.55 179.68 1xwe n PHE 1654N -2.57 0.62 -0.13 9.51 -0.00 -0.84 -2.80 117.46 121.25 1xwe n PHE 1654Ca -0.24 0.27 -0.10 0.00 -0.00 0.00 0.00 57.45 57.38 1xwe n PHE 1654Cb 0.95 -0.86 -0.02 0.00 -0.00 0.00 0.00 39.48 39.56 1xwe n PHE 1654CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1xwe h LEU 1655N -1.00 0.65 0.00 -2.13 7.12 0.09 -3.38 115.31 116.66 1xwe h LEU 1655Ca -0.23 -0.30 0.00 0.00 0.13 0.00 0.00 57.88 57.48 1xwe h LEU 1655Cb 1.03 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.99 1xwe h LEU 1655CO -0.14 0.79 0.00 0.59 -0.13 0.00 0.00 178.44 179.55 1xwe n ASN 1656N -4.48 0.00 -0.30 1.25 5.03 -0.97 -5.03 115.26 110.75 1xwe n ASN 1656Ca -0.01 0.23 0.04 0.00 0.87 0.00 0.00 54.58 55.71 1xwe n ASN 1656Cb 0.27 -0.45 -0.01 0.00 -1.02 0.00 0.00 39.78 38.56 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 1.82 -1.76 0.00 7.41 0.00 -0.96 -4.96 105.19 106.75 1xwe n GLY 1657Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32