#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 0.35 -0.05 1.61 0.15 -1.26 -5.16 113.70 109.35 1xwe s SER 1509Ca 0.00 -0.88 -0.04 0.00 0.70 0.00 0.00 55.95 55.74 1xwe s SER 1509Cb 0.00 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1xwe s SER 1509CO 0.00 -0.65 0.14 -1.00 1.20 0.00 0.00 173.24 172.94 1xwe s HIS 1510N -3.90 3.51 0.31 3.44 0.09 -1.26 -5.11 115.29 112.36 1xwe s HIS 1510Ca 0.06 0.38 0.02 0.00 -0.00 0.00 0.00 55.06 55.53 1xwe s HIS 1510Cb 0.07 -1.85 0.06 0.00 -0.00 0.00 0.00 32.58 30.86 1xwe s HIS 1510CO -0.10 0.65 0.43 -1.33 -0.00 0.00 0.00 174.74 174.39 1xwe n MET 1511N 1.36 0.53 -3.74 1.40 2.00 -1.26 -5.13 117.12 112.29 1xwe n MET 1511Ca -0.14 -1.37 -0.19 0.00 0.00 0.00 0.00 57.70 55.99 1xwe n MET 1511Cb 0.53 -0.22 -0.17 0.00 0.00 0.00 0.00 33.22 33.36 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe s ALA 1512N -2.66 0.30 -0.52 3.04 0.00 -1.25 -5.01 121.76 115.66 1xwe s ALA 1512Ca 0.30 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 1xwe s ALA 1512Cb -0.02 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1xwe s ALA 1512CO 0.20 -0.36 0.86 0.16 0.00 0.00 0.00 175.76 176.61 1xwe s ASP 1513N 1.80 6.35 -0.90 0.00 -4.77 -1.26 -2.97 116.67 114.91 1xwe s ASP 1513Ca 0.01 -0.35 -0.16 0.00 -3.30 0.00 0.00 52.55 48.74 1xwe s ASP 1513Cb -0.12 -2.41 0.17 0.00 -1.09 0.00 0.00 42.92 39.47 1xwe s ASP 1513CO -0.03 -1.10 0.98 0.00 0.70 0.00 0.00 175.17 175.71 1xwe n GLY 1515N 4.74 3.58 2.85 0.00 0.00 -0.88 -3.93 105.19 111.54 1xwe n GLY 1515Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 -2.70 -1.88 1.61 7.27 -1.26 -4.76 117.38 115.66 1xwe n GLN 1516Ca 0.00 2.29 -0.41 0.00 0.07 0.00 0.00 57.00 58.94 1xwe n GLN 1516Cb 0.00 -4.05 -0.02 0.00 2.41 0.00 0.00 30.24 28.59 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1xwe s MET 1517N -1.31 4.18 0.73 3.69 -1.94 -1.26 -4.86 119.30 118.53 1xwe s MET 1517Ca -0.03 2.47 -0.10 0.00 -1.71 0.00 0.00 55.69 56.31 1xwe s MET 1517Cb 0.00 -3.04 0.05 0.00 2.01 0.00 0.00 34.83 33.84 1xwe s MET 1517CO 0.55 -0.52 1.10 -0.65 -0.01 0.00 0.00 175.02 175.50 1xwe s GLN 1518N -0.84 2.43 0.86 2.03 -0.21 -1.26 -5.04 119.66 117.64 1xwe s GLN 1518Ca 0.59 0.18 -0.11 0.00 0.02 0.00 0.00 55.36 56.05 1xwe s GLN 1518Cb -0.45 -2.04 0.12 0.00 1.00 0.00 0.00 33.01 31.64 1xwe s GLN 1518CO 0.50 -1.25 1.14 -1.21 -2.12 0.00 0.00 175.29 172.35 1xwe s GLU 1519N -5.39 1.39 0.00 2.91 2.02 -1.26 -4.69 118.70 113.68 1xwe s GLU 1519Ca 0.59 1.51 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1xwe s GLU 1519Cb -0.11 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1xwe s GLU 1519CO 0.49 -2.35 0.63 0.39 0.02 0.00 0.00 175.26 174.45 1xwe n GLU 1520N -3.91 0.00 -2.28 1.61 1.02 -1.26 -3.88 120.64 111.94 1xwe n GLU 1520Ca 0.12 0.15 -0.40 0.00 -0.02 0.00 0.00 57.16 57.01 1xwe n GLU 1520Cb 0.52 -1.14 0.01 0.00 -0.02 0.00 0.00 31.44 30.81 1xwe n GLU 1520CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xwe n LEU 1521N -0.96 7.46 -4.57 -4.62 4.32 -1.26 -4.77 117.00 112.61 1xwe n LEU 1521Ca 0.00 -5.08 -0.28 0.00 -0.02 0.00 0.00 56.01 50.62 1xwe n LEU 1521Cb 0.00 -1.19 -0.05 0.00 -1.62 0.00 0.00 43.42 40.56 1xwe n LEU 1521CO 0.00 1.97 1.41 -0.62 -1.22 0.00 0.00 177.39 178.93 1xwe s ASP 1522N -0.84 5.23 -0.13 -1.43 -1.08 -1.25 -4.74 116.67 112.42 1xwe s ASP 1522Ca 0.46 -1.03 0.05 0.00 -0.52 0.00 0.00 52.55 51.52 1xwe s ASP 1522Cb 0.26 -2.57 0.36 0.00 -1.46 0.00 0.00 42.92 39.50 1xwe s ASP 1522CO -0.19 -2.73 1.15 0.18 0.52 0.00 0.00 175.17 174.10 1xwe n LEU 1523N 13.66 3.52 0.03 -1.34 4.77 -1.26 -3.81 117.00 132.57 1xwe n LEU 1523Ca 0.41 -1.80 0.07 0.00 -0.03 0.00 0.00 56.01 54.66 1xwe n LEU 1523Cb 0.47 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1xwe n LEU 1523CO 0.63 0.50 -0.45 0.35 -1.33 0.00 0.00 177.39 177.09 1xwe n THR 1524N 0.16 0.60 -3.00 -5.08 -2.24 -1.26 -4.91 114.28 98.55 1xwe n THR 1524Ca 0.16 -0.59 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 1xwe n THR 1524Cb 0.77 -0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xwe s ILE 1525N -3.24 4.58 0.35 2.28 1.01 -1.25 -5.07 121.20 119.86 1xwe s ILE 1525Ca -0.05 1.64 -0.05 0.00 0.00 0.00 0.00 60.65 62.19 1xwe s ILE 1525Cb 0.11 -4.11 0.08 0.00 0.01 0.00 0.00 42.46 38.54 1xwe s ILE 1525CO 0.84 0.44 0.48 -1.20 0.00 0.00 0.00 174.94 175.50 1xwe n SER 1526N 2.23 0.15 -0.98 3.58 7.64 -1.26 -4.99 113.62 119.98 1xwe n SER 1526Ca -0.04 -1.24 0.12 0.00 1.01 0.00 0.00 58.87 58.72 1xwe n SER 1526Cb 0.50 -0.35 0.15 0.00 -1.01 0.00 0.00 64.21 63.49 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwe n ALA 1527N -3.24 2.46 -0.11 -0.43 0.00 -1.26 -4.15 120.51 113.78 1xwe n ALA 1527Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.62 1xwe n ALA 1527Cb 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1xwe n ALA 1527CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xwe n GLU 1528N 1.31 1.12 -0.04 0.00 1.02 -1.26 -4.27 120.64 118.52 1xwe n GLU 1528Ca 0.16 -0.30 -0.18 0.00 -0.02 0.00 0.00 57.16 56.82 1xwe n GLU 1528Cb 0.59 -0.78 -0.13 0.00 -0.02 0.00 0.00 31.44 31.10 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 0.11 1.49 -0.00 2.62 2.02 -1.97 -3.37 112.91 113.82 1xwe h THR 1529Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1xwe h THR 1529Cb 0.05 3.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 1xwe h THR 1529CO 0.00 0.60 -0.63 -2.11 0.37 0.00 0.00 175.52 173.75 1xwe n ARG 1530N -4.39 0.35 -0.24 6.66 1.85 -1.26 -4.20 116.66 115.43 1xwe n ARG 1530Ca -0.16 -0.25 -0.08 0.00 -1.00 0.00 0.00 57.85 56.36 1xwe n ARG 1530Cb 0.64 -1.49 0.04 0.00 -1.05 0.00 0.00 32.46 30.60 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1xwe h LYS 1531N 0.61 1.11 0.00 2.89 3.64 -1.74 -1.90 116.57 121.18 1xwe h LYS 1531Ca 0.00 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1xwe h LYS 1531Cb 0.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1xwe h LYS 1531CO 0.00 1.00 0.03 1.96 -2.27 0.00 0.00 179.45 180.17 1xwe h GLN 1532N 1.04 0.00 0.08 1.90 1.08 -1.73 0.12 115.11 117.60 1xwe h GLN 1532Ca 0.21 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.14 1xwe h GLN 1532Cb 0.40 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1xwe h GLN 1532CO 0.01 0.00 -1.33 1.15 -0.95 0.00 0.00 178.83 177.71 1xwe h THR 1533N 0.00 1.37 0.00 -0.54 2.02 -1.60 -0.73 112.91 113.44 1xwe h THR 1533Ca 0.00 -3.02 -0.01 0.00 0.77 0.00 0.00 66.41 64.15 1xwe h THR 1533Cb 0.07 2.81 -0.00 0.00 -1.74 0.00 0.00 68.15 69.29 1xwe h THR 1533CO 0.00 0.85 -0.02 0.00 0.37 0.00 0.00 175.52 176.72 1xwe h ALA 1534N 0.68 1.28 0.00 6.16 0.00 -0.93 -2.07 119.26 124.38 1xwe h ALA 1534Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xwe h ALA 1534Cb 1.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1xwe h ALA 1534CO 0.16 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1xwe n LYS 1536N -0.24 2.49 -0.09 0.00 4.81 -0.28 -4.88 118.16 119.97 1xwe n LYS 1536Ca 0.00 0.88 0.18 0.00 -0.87 0.00 0.00 58.31 58.50 1xwe n LYS 1536Cb 0.16 -2.62 0.60 0.00 0.02 0.00 0.00 35.03 33.19 1xwe n LYS 1536CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1xwe h PRO 1537N 2.70 0.20 0.00 1.64 0.13 -1.89 0.21 132.00 134.99 1xwe h PRO 1537Ca -0.50 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1xwe h PRO 1537Cb 1.25 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1xwe h PRO 1537CO 0.63 0.13 -0.19 1.49 -0.23 0.00 0.00 178.00 179.83 1xwe h GLU 1538N 0.21 0.00 -5.01 0.86 4.81 -1.93 -3.42 114.58 110.10 1xwe h GLU 1538Ca 0.32 0.00 -0.63 0.00 -0.13 0.00 0.00 59.36 58.91 1xwe h GLU 1538Cb 0.95 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.16 1xwe h GLU 1538CO -0.06 0.19 -0.54 0.42 -0.73 0.00 0.00 179.01 178.29 1xwe s ILE 1539N -3.43 5.04 -0.14 2.32 1.09 0.74 -2.53 121.20 124.29 1xwe s ILE 1539Ca 0.03 0.07 -0.13 0.00 -1.10 0.00 0.00 60.65 59.52 1xwe s ILE 1539Cb 0.08 -3.36 -0.11 0.00 -1.06 0.00 0.00 42.46 38.01 1xwe s ILE 1539CO 0.65 0.32 0.18 0.00 -0.10 0.00 0.00 174.94 175.99 1xwe h ALA 1540N 7.89 0.05 -2.43 9.38 0.00 -1.03 -3.40 119.26 129.73 1xwe h ALA 1540Ca -0.37 -0.49 -0.57 0.00 0.00 0.00 0.00 54.91 53.48 1xwe h ALA 1540Cb 1.18 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 1xwe h ALA 1540CO 0.60 0.27 -0.66 1.52 0.00 0.00 0.00 179.25 180.99 1xwe s TYR 1541N -2.04 2.72 -0.32 0.00 -0.85 -0.65 -4.57 117.35 111.64 1xwe s TYR 1541Ca -0.14 -0.21 0.02 0.00 -0.52 0.00 0.00 57.07 56.22 1xwe s TYR 1541Cb 0.01 -1.24 0.15 0.00 0.38 0.00 0.00 41.96 41.26 1xwe s TYR 1541CO 0.33 0.59 0.38 0.00 -1.52 0.00 0.00 175.55 175.33 1xwe s ALA 1542N -2.14 -0.84 0.19 9.51 0.00 -0.79 -1.98 121.76 125.72 1xwe s ALA 1542Ca 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1xwe s ALA 1542Cb -0.07 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 1xwe s ALA 1542CO 0.19 -1.88 0.24 2.48 0.00 0.00 0.00 175.76 176.79 1xwe n TYR 1543N 4.98 -0.85 -4.76 0.00 0.18 -0.83 0.12 117.16 116.01 1xwe n TYR 1543Ca 0.03 -1.32 -0.33 0.00 1.88 0.00 0.00 57.90 58.17 1xwe n TYR 1543Cb 0.48 0.26 -0.16 0.00 -0.38 0.00 0.00 39.34 39.54 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1xwe s LYS 1544N -2.50 3.12 0.25 -3.48 2.20 -0.56 -2.07 119.74 116.71 1xwe s LYS 1544Ca 0.17 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1xwe s LYS 1544Cb -0.00 -2.49 -0.00 0.00 -1.51 0.00 0.00 37.83 33.83 1xwe s LYS 1544CO 0.12 0.06 0.01 1.33 -0.36 0.00 0.00 175.35 176.51 1xwe n VAL 1545N 3.90 0.00 -3.43 4.02 0.24 -0.79 -0.25 118.33 122.02 1xwe n VAL 1545Ca -0.19 -1.19 -0.03 0.00 -2.04 0.00 0.00 64.34 60.88 1xwe n VAL 1545Cb 0.52 0.26 -0.05 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.37 -0.68 0.46 -1.34 0.15 -0.33 -1.57 113.70 108.02 1xwe s SER 1546Ca 0.01 0.91 -0.25 0.00 0.70 0.00 0.00 55.95 57.33 1xwe s SER 1546Cb 0.00 1.76 -0.08 0.00 -1.71 0.00 0.00 66.02 65.99 1xwe s SER 1546CO 0.01 -0.25 1.42 -0.38 1.20 0.00 0.00 173.24 175.23 1xwe n ILE 1547N 5.41 2.92 -0.66 6.45 2.08 -0.46 -2.02 119.36 133.07 1xwe n ILE 1547Ca -0.06 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.75 1xwe n ILE 1547Cb 0.50 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 1xwe n ILE 1547CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1xwe n THR 1548N -0.32 0.00 -3.69 1.39 5.66 -1.17 -0.99 114.28 115.17 1xwe n THR 1548Ca 0.06 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.95 1xwe n THR 1548Cb 0.42 0.70 -0.09 0.00 -1.55 0.00 0.00 70.33 69.80 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 -0.60 -0.02 1.09 0.01 -0.66 -4.78 113.70 108.74 1xwe s SER 1549Ca 0.00 1.06 0.03 0.00 1.31 0.00 0.00 55.95 58.34 1xwe s SER 1549Cb 0.00 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.22 1xwe s SER 1549CO 0.00 -0.19 -0.09 -0.63 0.41 0.00 0.00 173.24 172.74 1xwe s ILE 1550N 0.97 0.77 -0.13 1.44 1.01 -1.26 -0.67 121.20 123.34 1xwe s ILE 1550Ca -0.06 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 1xwe s ILE 1550Cb -0.06 -0.68 0.05 0.00 0.01 0.00 0.00 42.46 41.78 1xwe s ILE 1550CO -0.08 0.24 0.30 -0.89 0.00 0.00 0.00 174.94 174.51 1xwe s THR 1551N 0.13 -0.03 -0.06 2.92 2.01 -0.87 -4.99 115.64 114.74 1xwe s THR 1551Ca -0.02 0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.11 1xwe s THR 1551Cb -0.08 -0.46 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1xwe s THR 1551CO 0.00 0.05 -0.04 0.54 -0.69 0.00 0.00 174.62 174.48 1xwe s VAL 1552N 1.30 3.90 0.00 3.82 0.11 -1.26 -1.19 120.40 127.08 1xwe s VAL 1552Ca -0.09 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1xwe s VAL 1552Cb -0.10 -2.63 0.00 0.00 -1.53 0.00 0.00 36.38 32.12 1xwe s VAL 1552CO -0.10 0.55 0.00 -0.62 -3.33 0.00 0.00 175.10 171.60 1xwe n GLU 1553N 2.02 0.00 0.00 1.54 1.02 -1.23 -4.98 120.64 119.00 1xwe n GLU 1553Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1xwe n GLU 1553Cb 0.53 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xwe n ASN 1554N -2.01 0.00 -0.11 1.62 4.13 -1.26 -5.02 115.26 112.61 1xwe n ASN 1554Ca 0.00 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.01 1xwe n ASN 1554Cb 0.00 0.04 -0.11 0.00 -1.54 0.00 0.00 39.78 38.17 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1xwe n VAL 1555N -1.45 1.54 -3.58 2.41 0.31 -1.26 -4.93 118.33 111.37 1xwe n VAL 1555Ca 0.00 -0.17 -0.37 0.00 -0.01 0.00 0.00 64.34 63.79 1xwe n VAL 1555Cb 0.00 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 30.90 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1xwe s PHE 1556N -2.42 3.66 -0.16 3.52 0.08 -1.26 -3.80 117.98 117.60 1xwe s PHE 1556Ca -0.32 0.86 -0.03 0.00 0.12 0.00 0.00 56.93 57.55 1xwe s PHE 1556Cb 0.09 -2.19 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1xwe s PHE 1556CO 0.56 0.62 -0.05 0.08 -0.10 0.00 0.00 175.22 176.33 1xwe s VAL 1557N -1.18 3.71 0.13 -0.44 1.01 -0.92 -3.53 120.40 119.17 1xwe s VAL 1557Ca 0.26 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.67 1xwe s VAL 1557Cb -0.15 -2.63 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 1xwe s VAL 1557CO 0.14 0.48 0.55 -0.54 0.00 0.00 0.00 175.10 175.73 1xwe s LYS 1558N 0.55 4.01 -0.28 2.72 -0.14 -0.33 -1.26 119.74 125.00 1xwe s LYS 1558Ca -0.04 0.52 -0.01 0.00 -1.36 0.00 0.00 55.97 55.09 1xwe s LYS 1558Cb -0.15 -2.99 0.09 0.00 -1.68 0.00 0.00 37.83 33.10 1xwe s LYS 1558CO 0.03 0.51 0.08 0.71 -0.76 0.00 0.00 175.35 175.92 1xwe s TYR 1559N -1.39 1.60 -0.30 3.18 2.02 -0.22 -2.05 117.35 120.18 1xwe s TYR 1559Ca 0.36 -1.55 -0.29 0.00 -0.37 0.00 0.00 57.07 55.22 1xwe s TYR 1559Cb -0.16 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1xwe s TYR 1559CO 0.19 -0.82 1.11 0.15 -1.57 0.00 0.00 175.55 174.61 1xwe s LYS 1560N 1.66 4.07 0.27 -0.62 -0.14 0.16 -1.54 119.74 123.60 1xwe s LYS 1560Ca 0.07 1.15 0.04 0.00 -1.36 0.00 0.00 55.97 55.86 1xwe s LYS 1560Cb -0.17 -3.75 -0.06 0.00 -1.68 0.00 0.00 37.83 32.17 1xwe s LYS 1560CO -0.21 -0.90 0.01 0.00 -0.76 0.00 0.00 175.35 173.50 1xwe s ALA 1561N 3.69 2.10 -0.17 5.17 0.00 -0.98 -1.65 121.76 129.92 1xwe s ALA 1561Ca 0.47 -1.90 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 1xwe s ALA 1561Cb -0.13 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1xwe s ALA 1561CO 0.15 -0.24 -0.14 0.99 0.00 0.00 0.00 175.76 176.52 1xwe s THR 1562N -3.31 2.70 -0.63 0.00 2.01 -0.86 -3.09 115.64 112.47 1xwe s THR 1562Ca 0.32 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.31 1xwe s THR 1562Cb 0.06 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1xwe s THR 1562CO 0.12 0.50 1.96 -0.22 -0.69 0.00 0.00 174.62 176.29 1xwe s LEU 1563N 1.03 3.28 0.07 4.42 2.96 -1.21 -1.19 118.68 128.05 1xwe s LEU 1563Ca -0.01 0.33 -0.31 0.00 -0.22 0.00 0.00 54.13 53.92 1xwe s LEU 1563Cb -0.15 -2.53 -0.15 0.00 0.50 0.00 0.00 46.19 43.87 1xwe s LEU 1563CO -0.03 -2.52 1.49 -0.07 -1.32 0.00 0.00 176.35 173.89 1xwe h LEU 1564N 17.16 -1.24 -8.22 -0.68 3.38 -0.89 0.17 115.31 124.99 1xwe h LEU 1564Ca -0.21 0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1xwe h LEU 1564Cb 1.16 0.41 -0.13 0.00 0.09 0.00 0.00 40.66 42.19 1xwe h LEU 1564CO 1.21 -0.58 -0.43 -1.81 0.09 0.00 0.00 178.44 176.92 1xwe s ASP 1565N -4.10 0.12 -0.07 -0.43 1.11 -0.45 -3.90 116.67 108.94 1xwe s ASP 1565Ca -0.15 -1.00 0.05 0.00 0.18 0.00 0.00 52.55 51.62 1xwe s ASP 1565Cb 0.04 0.40 -0.01 0.00 1.07 0.00 0.00 42.92 44.41 1xwe s ASP 1565CO 0.52 -0.85 -0.22 -0.63 1.18 0.00 0.00 175.17 175.18 1xwe s ILE 1566N -4.00 2.35 -0.05 0.77 1.01 -1.26 -1.49 121.20 118.51 1xwe s ILE 1566Ca 0.21 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 59.98 1xwe s ILE 1566Cb 0.05 -1.89 -0.11 0.00 0.01 0.00 0.00 42.46 40.52 1xwe s ILE 1566CO 0.02 0.56 0.18 -1.22 0.00 0.00 0.00 174.94 174.48 1xwe n TYR 1567N 3.02 0.00 -3.24 3.97 4.01 -0.59 -4.94 117.16 119.39 1xwe n TYR 1567Ca -0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.55 1xwe n TYR 1567Cb 0.52 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.37 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 -2.41 0.48 0.48 -0.72 2.36 0.12 -4.73 119.74 115.32 1xwe s LYS 1568Ca -0.02 0.84 -0.19 0.00 -2.55 0.00 0.00 55.97 54.04 1xwe s LYS 1568Cb 0.05 0.17 -0.13 0.00 -1.05 0.00 0.00 37.83 36.87 1xwe s LYS 1568CO 0.31 -0.62 0.19 2.41 1.55 0.00 0.00 175.35 179.20 1xwe n THR 1569N 5.41 0.99 -4.16 3.43 -1.04 -1.26 -1.88 114.28 115.76 1xwe n THR 1569Ca -0.02 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.14 1xwe n THR 1569Cb 0.51 -0.26 -0.10 0.00 -1.82 0.00 0.00 70.33 68.66 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 -1.03 1.86 0.51 3.41 0.00 -1.26 -4.17 107.32 106.63 1xwe s GLY 1570Ca 0.61 -0.77 0.23 0.00 0.00 0.00 0.00 44.72 44.80 1xwe s GLY 1570CO 0.61 -0.08 2.08 0.83 0.00 0.00 0.00 173.10 176.55 1xwe h GLU 1571N 6.43 0.00 -1.70 2.90 5.08 -1.93 -2.47 114.58 122.88 1xwe h GLU 1571Ca -0.38 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.67 1xwe h GLU 1571Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.30 1xwe h GLU 1571CO 0.66 0.11 0.32 0.00 -1.00 0.00 0.00 179.01 179.10 1xwe n ALA 1572N -2.37 5.36 -2.76 3.43 0.00 -1.26 -4.84 120.51 118.06 1xwe n ALA 1572Ca -0.02 -1.78 -0.01 0.00 0.00 0.00 0.00 53.44 51.62 1xwe n ALA 1572Cb 0.20 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 0.72-11.48 -4.11 0.00 0.31 -0.96 -4.93 118.33 97.88 1xwe n VAL 1573Ca 0.32 1.69 -0.34 0.00 -0.01 0.00 0.00 64.34 66.00 1xwe n VAL 1573Cb 0.59 -6.78 -0.15 0.00 -0.91 0.00 0.00 33.84 26.58 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 -1.71 2.51 0.09 3.52 0.00 -1.06 -4.93 121.76 120.18 1xwe s ALA 1574Ca 0.03 -1.18 0.06 0.00 0.00 0.00 0.00 51.96 50.87 1xwe s ALA 1574Cb -0.01 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1xwe s ALA 1574CO 0.75 -0.33 -0.15 -2.00 0.00 0.00 0.00 175.76 174.02 1xwe s GLU 1575N 1.29 0.93 0.26 0.00 2.56 -1.26 -4.42 118.70 118.06 1xwe s GLU 1575Ca 0.04 -1.07 -0.31 0.00 0.00 0.00 0.00 54.97 53.63 1xwe s GLU 1575Cb -0.14 -0.96 -0.13 0.00 2.00 0.00 0.00 34.13 34.91 1xwe s GLU 1575CO -0.08 0.21 1.48 1.17 -0.56 0.00 0.00 175.26 177.48 1xwe n LYS 1576N 1.05 2.30 -3.68 4.30 4.81 -1.26 -1.75 118.16 123.92 1xwe n LYS 1576Ca -0.19 0.82 -0.27 0.00 -0.87 0.00 0.00 58.31 57.79 1xwe n LYS 1576Cb 0.55 -2.52 -0.02 0.00 0.02 0.00 0.00 35.03 33.05 1xwe n LYS 1576CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1xwe n ASP 1577N 2.18 -2.97 -2.34 3.14 5.68 0.59 -4.93 116.55 117.90 1xwe n ASP 1577Ca 0.10 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 1xwe n ASP 1577Cb 0.34 -2.49 0.00 0.00 -1.14 0.00 0.00 41.12 37.83 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 -2.31 0.00 -3.97 -1.12 3.41 -0.72 -4.77 113.62 104.14 1xwe n SER 1578Ca 0.03 -0.65 -0.30 0.00 -0.26 0.00 0.00 58.87 57.70 1xwe n SER 1578Cb 0.51 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.92 1.87 0.19 4.33 -6.30 -1.26 -3.29 118.70 112.30 1xwe s GLU 1579Ca 0.00 -0.80 0.06 0.00 -2.50 0.00 0.00 54.97 51.72 1xwe s GLU 1579Cb 0.00 -2.36 -0.05 0.00 0.00 0.00 0.00 34.13 31.72 1xwe s GLU 1579CO 0.00 -0.45 -0.10 0.96 0.02 0.00 0.00 175.26 175.69 1xwe s ILE 1580N 1.44 1.36 -0.07 -3.70 -5.25 -1.18 -5.04 121.20 108.76 1xwe s ILE 1580Ca -0.01 -2.11 0.02 0.00 -0.99 0.00 0.00 60.65 57.56 1xwe s ILE 1580Cb -0.16 -2.03 0.01 0.00 2.95 0.00 0.00 42.46 43.23 1xwe s ILE 1580CO -0.08 -0.61 -0.13 -0.89 -1.79 0.00 0.00 174.94 171.44 1xwe s THR 1581N -3.21 1.22 -0.25 8.37 2.01 -1.26 -2.33 115.64 120.20 1xwe s THR 1581Ca 0.21 -0.53 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 1xwe s THR 1581Cb 0.02 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1xwe s THR 1581CO 0.05 0.37 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.96 1xwe s PHE 1582N 0.61 3.04 -0.47 4.92 0.40 -0.59 -1.34 117.98 124.55 1xwe s PHE 1582Ca -0.15 -1.25 -0.19 0.00 -0.60 0.00 0.00 56.93 54.74 1xwe s PHE 1582Cb -0.16 -2.11 0.04 0.00 0.51 0.00 0.00 43.02 41.30 1xwe s PHE 1582CO 0.04 -0.65 0.59 -1.50 0.70 0.00 0.00 175.22 174.41 1xwe s ILE 1583N 1.41 4.91 0.26 0.64 2.07 0.47 -1.05 121.20 129.89 1xwe s ILE 1583Ca 0.02 -0.28 -0.06 0.00 -1.41 0.00 0.00 60.65 58.93 1xwe s ILE 1583Cb -0.16 -4.22 -0.06 0.00 0.13 0.00 0.00 42.46 38.16 1xwe s ILE 1583CO -0.03 -0.66 0.53 -0.75 -1.91 0.00 0.00 174.94 172.12 1xwe s LYS 1584N 2.58 3.66 0.25 3.50 2.20 -0.39 -0.91 119.74 130.64 1xwe s LYS 1584Ca 0.17 0.04 -0.11 0.00 -0.36 0.00 0.00 55.97 55.70 1xwe s LYS 1584Cb -0.17 -2.67 -0.08 0.00 -1.51 0.00 0.00 37.83 33.40 1xwe s LYS 1584CO 0.14 0.27 0.60 0.15 -0.36 0.00 0.00 175.35 176.15 1xwe s LYS 1585N -3.29 3.87 0.12 4.03 1.02 -1.24 -2.17 119.74 122.08 1xwe s LYS 1585Ca 0.44 0.40 0.27 0.00 0.02 0.00 0.00 55.97 57.11 1xwe s LYS 1585Cb -0.11 -2.61 0.99 0.00 -0.52 0.00 0.00 37.83 35.58 1xwe s LYS 1585CO 0.27 0.29 1.84 1.55 -0.92 0.00 0.00 175.35 178.38 1xwe n VAL 1586N -0.12 0.35 0.08 3.17 3.14 -1.25 -3.38 118.33 120.33 1xwe n VAL 1586Ca 0.01 -0.15 -0.03 0.00 -2.96 0.00 0.00 64.34 61.20 1xwe n VAL 1586Cb 0.53 -0.56 0.19 0.00 -1.06 0.00 0.00 33.84 32.93 1xwe n VAL 1586CO 0.00 0.00 0.00 0.71 -6.46 0.00 0.00 176.83 171.08 1xwe h THR 1587N 0.00 1.33 -1.50 1.55 1.35 -1.90 -3.42 112.91 110.32 1xwe h THR 1587Ca 0.00 -1.64 -0.57 0.00 -0.55 0.00 0.00 66.41 63.65 1xwe h THR 1587Cb 0.63 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1xwe h THR 1587CO 0.00 0.49 1.53 0.00 -0.25 0.00 0.00 175.52 177.29 1xwe n THR 1589N 7.67 0.55 0.00 0.00 5.66 -1.18 -4.14 114.28 122.84 1xwe n THR 1589Ca 0.37 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1xwe n THR 1589Cb 0.39 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1xwe n THR 1589CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xwe n ASN 1590N 0.30 0.31 -4.60 1.09 5.15 -1.26 -4.96 115.26 111.28 1xwe n ASN 1590Ca 0.10 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.65 1xwe n ASN 1590Cb 0.33 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.56 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe s ALA 1591N -1.15 2.83 -0.27 5.20 0.00 -1.26 -4.60 121.76 122.51 1xwe s ALA 1591Ca 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.40 1xwe s ALA 1591Cb 0.00 -4.03 0.11 0.00 0.00 0.00 0.00 23.12 19.20 1xwe s ALA 1591CO 0.00 -2.67 0.19 -1.21 0.00 0.00 0.00 175.76 172.07 1xwe s GLU 1592N 5.89 0.22 0.94 0.00 2.02 -1.26 -4.90 118.70 121.61 1xwe s GLU 1592Ca 0.88 -0.29 -0.12 0.00 0.02 0.00 0.00 54.97 55.45 1xwe s GLU 1592Cb -0.27 -1.05 0.15 0.00 0.10 0.00 0.00 34.13 33.07 1xwe s GLU 1592CO 0.34 -0.96 1.09 -0.51 0.02 0.00 0.00 175.26 175.24 1xwe s LEU 1593N 2.21 1.99 -0.05 1.80 1.43 -1.26 -5.07 118.68 119.73 1xwe s LEU 1593Ca 0.08 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1xwe s LEU 1593Cb -0.15 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.40 1xwe s LEU 1593CO -0.31 -2.84 -0.11 -0.69 0.23 0.00 0.00 176.35 172.63 1xwe s VAL 1594N -2.95 0.97 0.11 -1.59 1.01 -1.26 -5.12 120.40 111.57 1xwe s VAL 1594Ca 0.64 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1xwe s VAL 1594Cb -0.18 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.24 1xwe s VAL 1594CO 0.57 0.31 1.25 -0.75 0.00 0.00 0.00 175.10 176.48 1xwe s LYS 1595N 0.52 4.42 -0.21 2.72 2.20 -1.26 -3.72 119.74 124.41 1xwe s LYS 1595Ca -0.10 1.89 -0.00 0.00 -0.36 0.00 0.00 55.97 57.40 1xwe s LYS 1595Cb -0.13 -3.29 -0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1xwe s LYS 1595CO 0.02 -0.26 0.18 0.41 -0.36 0.00 0.00 175.35 175.34 1xwe n GLY 1596N 2.97 0.35 3.41 5.54 0.00 -0.16 -4.94 105.19 112.35 1xwe n GLY 1596Ca 0.08 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 1xwe n GLY 1596CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xwe s ARG 1597N -4.04 0.88 0.10 1.61 3.52 -1.17 -4.98 118.95 114.87 1xwe s ARG 1597Ca 0.02 0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.55 1xwe s ARG 1597Cb -0.00 0.41 -0.07 0.00 -1.56 0.00 0.00 34.95 33.73 1xwe s ARG 1597CO 0.13 -0.26 0.58 -0.65 -0.81 0.00 0.00 175.30 174.29 1xwe s GLN 1598N -1.14 4.16 0.13 5.12 -0.21 -1.26 -1.36 119.66 125.10 1xwe s GLN 1598Ca -0.11 0.70 -0.04 0.00 0.02 0.00 0.00 55.36 55.92 1xwe s GLN 1598Cb -0.02 -3.15 -0.03 0.00 1.00 0.00 0.00 33.01 30.81 1xwe s GLN 1598CO 0.07 0.59 0.13 0.71 -2.12 0.00 0.00 175.29 174.67 1xwe s TYR 1599N -1.21 0.63 -0.20 0.91 2.02 -0.61 -2.06 117.35 116.83 1xwe s TYR 1599Ca 0.32 -1.02 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 1xwe s TYR 1599Cb -0.18 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.05 1xwe s TYR 1599CO 0.19 -0.57 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.38 1xwe s LEU 1600N -3.00 2.93 -0.11 -1.29 2.96 0.54 -1.88 118.68 118.83 1xwe s LEU 1600Ca 0.19 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1xwe s LEU 1600Cb 0.06 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 1xwe s LEU 1600CO -0.01 0.03 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.21 1xwe s ILE 1601N 1.19 2.38 -0.23 6.68 1.01 -0.88 -1.65 121.20 129.69 1xwe s ILE 1601Ca 0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.73 1xwe s ILE 1601Cb -0.14 -1.94 0.10 0.00 0.01 0.00 0.00 42.46 40.49 1xwe s ILE 1601CO -0.01 0.55 0.24 -0.04 0.00 0.00 0.00 174.94 175.67 1xwe s MET 1602N 0.32 0.23 0.04 2.79 -1.94 -0.70 -1.96 119.30 118.08 1xwe s MET 1602Ca -0.16 0.07 -0.22 0.00 -1.71 0.00 0.00 55.69 53.68 1xwe s MET 1602Cb -0.17 -1.06 0.07 0.00 2.01 0.00 0.00 34.83 35.68 1xwe s MET 1602CO 0.08 -0.77 1.00 0.41 -0.01 0.00 0.00 175.02 175.72 1xwe n GLY 1603N 5.31 0.43 3.65 -0.03 0.00 -0.84 -1.80 105.19 111.91 1xwe n GLY 1603Ca -0.05 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 1xwe n GLY 1603CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xwe s LYS 1604N -2.02 0.72 0.11 1.61 2.47 -1.05 -0.53 119.74 121.05 1xwe s LYS 1604Ca 0.23 1.40 -0.02 0.00 -1.56 0.00 0.00 55.97 56.02 1xwe s LYS 1604Cb -0.01 -1.70 0.03 0.00 -1.46 0.00 0.00 37.83 34.68 1xwe s LYS 1604CO 0.01 -2.78 0.09 -0.85 0.16 0.00 0.00 175.35 171.98 1xwe n GLU 1605N -4.32 -1.45 -2.73 4.03 0.28 -1.26 -4.60 120.64 110.59 1xwe n GLU 1605Ca 0.10 -0.14 -0.22 0.00 -0.16 0.00 0.00 57.16 56.74 1xwe n GLU 1605Cb 0.53 -0.14 0.09 0.00 1.43 0.00 0.00 31.44 33.34 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 -2.75 4.03 -0.53 -1.84 0.00 -1.26 -4.85 121.76 114.55 1xwe s ALA 1606Ca 0.06 -1.81 -0.07 0.00 0.00 0.00 0.00 51.96 50.14 1xwe s ALA 1606Cb -0.01 -1.85 0.14 0.00 0.00 0.00 0.00 23.12 21.41 1xwe s ALA 1606CO 0.05 -1.19 0.38 -0.51 0.00 0.00 0.00 175.76 174.49 1xwe s LEU 1607N -4.95 5.58 -0.14 0.00 1.02 -1.25 -4.98 118.68 113.96 1xwe s LEU 1607Ca 0.64 -2.27 -0.29 0.00 0.02 0.00 0.00 54.13 52.23 1xwe s LEU 1607Cb -0.06 -1.95 -0.06 0.00 0.02 0.00 0.00 46.19 44.14 1xwe s LEU 1607CO 0.42 -0.56 2.15 0.00 0.02 0.00 0.00 176.35 178.37 1xwe n GLN 1608N 4.37 2.22 0.00 1.70 6.02 -1.26 -4.40 117.38 126.03 1xwe n GLN 1608Ca -0.00 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1xwe n GLN 1608Cb 0.41 -3.15 0.00 0.00 1.02 0.00 0.00 30.24 28.52 1xwe n GLN 1608CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1xwe n ILE 1609N 7.05 0.10 -1.47 5.09 -5.35 -1.13 -4.98 119.36 118.66 1xwe n ILE 1609Ca 0.27 -0.11 -0.51 0.00 -0.27 0.00 0.00 62.75 62.13 1xwe n ILE 1609Cb 0.43 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.37 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1xwe n LYS 1610N -0.05 1.14 0.00 6.28 0.00 -1.25 -4.08 118.16 120.20 1xwe n LYS 1610Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 58.31 58.64 1xwe n LYS 1610Cb 0.42 -2.45 0.00 0.00 0.00 0.00 0.00 35.03 33.01 1xwe n LYS 1610CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1xwe n TYR 1611N 9.36 0.00 0.00 5.64 4.01 -1.26 -4.88 117.16 130.04 1xwe n TYR 1611Ca 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 1xwe n TYR 1611Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.74 0.00 0.01 7.72 4.13 -1.26 -5.08 115.26 119.04 1xwe n ASN 1612Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1xwe n ASN 1612Cb 0.27 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xwe n ALA 1613N -1.92 0.46 0.32 5.41 0.00 -1.26 -4.89 120.51 118.63 1xwe n ALA 1613Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 1xwe n ALA 1613Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1xwe n ALA 1613CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xwe n SER 1614N -2.52 0.30 -4.64 0.00 3.41 -1.26 -4.64 113.62 104.26 1xwe n SER 1614Ca 0.00 0.59 -0.31 0.00 -0.26 0.00 0.00 58.87 58.89 1xwe n SER 1614Cb 0.00 -0.65 -0.09 0.00 -0.26 0.00 0.00 64.21 63.21 1xwe n SER 1614CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xwe s PHE 1615N -3.19 2.92 -1.47 7.33 0.08 -1.26 -5.06 117.98 117.33 1xwe s PHE 1615Ca 0.03 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.04 1xwe s PHE 1615Cb 0.07 -1.55 0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1xwe s PHE 1615CO 0.25 0.44 0.00 2.89 -0.10 0.00 0.00 175.22 178.69 1xwe n ARG 1616N 0.98 -0.24 0.00 0.44 1.85 -1.26 -3.85 116.66 114.58 1xwe n ARG 1616Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.72 1xwe n ARG 1616Cb 0.52 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.93 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xwe n TYR 1617N 2.65 0.00 -2.43 2.89 4.02 -1.26 -2.85 117.16 120.17 1xwe n TYR 1617Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1xwe n TYR 1617Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 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 -1.07 -0.92 -1.72 -0.72 -5.35 -1.26 -3.78 119.36 104.55 1xwe n ILE 1618Ca 0.00 0.07 -0.42 0.00 -0.27 0.00 0.00 62.75 62.13 1xwe n ILE 1618Cb 0.00 -2.02 -0.03 0.00 -1.74 0.00 0.00 39.64 35.85 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xwe s TYR 1619N -0.14 1.37 -0.08 4.28 1.51 -0.45 -4.44 117.35 119.41 1xwe s TYR 1619Ca 0.00 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 1xwe s TYR 1619Cb 0.00 -4.19 -0.03 0.00 -0.11 0.00 0.00 41.96 37.62 1xwe s TYR 1619CO 0.00 -5.30 1.26 -1.25 -1.11 0.00 0.00 175.55 169.14 1xwe s PRO 1620N 4.46 4.30 -0.49 -1.71 0.04 -1.26 -0.40 135.00 139.95 1xwe s PRO 1620Ca 0.87 1.72 -0.22 0.00 0.04 0.00 0.00 61.00 63.41 1xwe s PRO 1620Cb -0.41 -3.63 0.04 0.00 0.04 0.00 0.00 34.50 30.54 1xwe s PRO 1620CO 0.40 -0.55 0.78 -0.51 0.04 0.00 0.00 177.00 177.16 1xwe s LEU 1621N 2.64 4.38 0.00 -3.56 1.43 -0.08 -4.82 118.68 118.66 1xwe s LEU 1621Ca 0.57 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1xwe s LEU 1621Cb -0.25 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1xwe s LEU 1621CO 0.21 -0.99 0.00 -0.90 0.23 0.00 0.00 176.35 174.90 1xwe n ASP 1622N 6.78 1.03 0.00 2.29 5.75 -1.26 -3.73 116.55 127.41 1xwe n ASP 1622Ca -0.00 -0.10 0.03 0.00 -0.01 0.00 0.00 54.79 54.71 1xwe n ASP 1622Cb 0.47 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.75 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xwe n SER 1623N -0.19 0.00 -0.08 -1.12 3.41 -1.25 -2.08 113.62 112.31 1xwe n SER 1623Ca 0.00 -1.45 -0.08 0.00 -0.26 0.00 0.00 58.87 57.08 1xwe n SER 1623Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1xwe n SER 1623CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n LEU 1624N -0.62 0.44 -4.60 1.04 -0.00 -1.26 -4.64 117.00 107.36 1xwe n LEU 1624Ca 0.05 -0.02 -0.43 0.00 -0.00 0.00 0.00 56.01 55.61 1xwe n LEU 1624Cb 0.02 0.22 -0.03 0.00 -0.00 0.00 0.00 43.42 43.63 1xwe n LEU 1624CO 0.04 0.44 1.49 -0.89 -0.00 0.00 0.00 177.39 178.46 1xwe s THR 1625N -2.37 3.53 -0.24 1.47 2.01 -1.14 -4.80 115.64 114.10 1xwe s THR 1625Ca -0.10 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.15 1xwe s THR 1625Cb 0.05 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1xwe s THR 1625CO 0.59 -0.46 1.54 0.86 -0.69 0.00 0.00 174.62 176.46 1xwe s TRP 1626N 6.68 2.25 -0.08 4.92 -0.11 -0.74 -4.83 118.94 127.02 1xwe s TRP 1626Ca 0.77 0.63 0.04 0.00 1.22 0.00 0.00 56.10 58.76 1xwe s TRP 1626Cb -0.21 -3.97 -0.01 0.00 -1.50 0.00 0.00 33.47 27.78 1xwe s TRP 1626CO 0.34 -2.62 -0.21 0.42 -4.62 0.00 0.00 176.95 170.26 1xwe s ILE 1627N 5.00 2.42 -0.07 5.86 1.01 -1.25 -1.72 121.20 132.46 1xwe s ILE 1627Ca 0.67 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 1xwe s ILE 1627Cb -0.23 -1.93 0.04 0.00 0.01 0.00 0.00 42.46 40.35 1xwe s ILE 1627CO 0.28 0.56 0.10 -0.70 0.00 0.00 0.00 174.94 175.18 1xwe s GLU 1628N -0.04 -0.02 0.14 2.79 2.12 -0.66 -3.98 118.70 119.04 1xwe s GLU 1628Ca -0.06 0.42 -0.33 0.00 0.36 0.00 0.00 54.97 55.36 1xwe s GLU 1628Cb -0.15 -0.50 -0.13 0.00 0.26 0.00 0.00 34.13 33.62 1xwe s GLU 1628CO 0.05 -0.34 1.69 0.98 -0.54 0.00 0.00 175.26 177.09 1xwe n TYR 1629N 5.31 2.44 -3.44 5.30 9.36 -1.26 -0.34 117.16 134.53 1xwe n TYR 1629Ca -0.04 0.12 -0.43 0.00 3.32 0.00 0.00 57.90 60.87 1xwe n TYR 1629Cb 0.50 -2.62 -0.07 0.00 -0.63 0.00 0.00 39.34 36.52 1xwe n TYR 1629CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 1xwe s TRP 1630N 1.63 3.31 -0.80 2.98 -0.11 -0.87 -4.87 118.94 120.20 1xwe s TRP 1630Ca 0.80 -1.37 -0.27 0.00 1.22 0.00 0.00 56.10 56.47 1xwe s TRP 1630Cb -0.61 -3.40 -0.17 0.00 -1.50 0.00 0.00 33.47 27.79 1xwe s TRP 1630CO 0.38 -0.92 2.54 -2.30 -4.62 0.00 0.00 176.95 172.03 1xwe n PRO 1631N 5.09 0.41 0.07 5.86 -0.02 -1.26 -4.41 135.00 140.74 1xwe n PRO 1631Ca -0.11 -0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.44 1xwe n PRO 1631Cb 0.42 -2.29 0.46 0.00 -0.02 0.00 0.00 33.50 32.07 1xwe n PRO 1631CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1xwe n ARG 1632N 8.47 0.15 -3.35 -0.52 0.63 -1.26 -4.74 116.66 116.04 1xwe n ARG 1632Ca 0.55 0.23 -0.38 0.00 -0.92 0.00 0.00 57.85 57.32 1xwe n ARG 1632Cb 0.25 -1.71 -0.06 0.00 0.45 0.00 0.00 32.46 31.38 1xwe n ARG 1632CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1xwe s ASP 1633N -3.91 6.79 0.00 6.15 1.11 -1.26 -4.80 116.67 120.74 1xwe s ASP 1633Ca 0.09 0.94 0.00 0.00 0.18 0.00 0.00 52.55 53.76 1xwe s ASP 1633Cb 0.13 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.82 1xwe s ASP 1633CO 0.48 0.14 0.00 1.07 1.18 0.00 0.00 175.17 178.04 1xwe n THR 1634N 2.83 0.00 1.09 -1.27 5.66 -1.25 -4.67 114.28 116.67 1xwe n THR 1634Ca -0.09 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.03 1xwe n THR 1634Cb 0.52 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 69.56 1xwe n THR 1634CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1xwe n THR 1635N -0.38 0.00 0.01 1.09 5.66 -1.26 -3.98 114.28 115.42 1xwe n THR 1635Ca 0.00 -0.06 -0.12 0.00 -3.05 0.00 0.00 64.05 60.82 1xwe n THR 1635Cb 0.00 0.40 -0.07 0.00 -1.55 0.00 0.00 70.33 69.11 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xwe n SER 1637N -5.00 -0.39 -0.20 0.00 3.41 -1.26 -5.04 113.62 105.15 1xwe n SER 1637Ca -0.07 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1xwe n SER 1637Cb 0.10 0.51 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1xwe n SER 1637CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xwe n SER 1638N -2.76 0.00 -4.56 4.04 3.41 -1.26 -5.09 113.62 107.41 1xwe n SER 1638Ca 0.00 -0.46 -0.27 0.00 -0.26 0.00 0.00 58.87 57.89 1xwe n SER 1638Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n GLN 1640N 8.94 0.00 -0.19 0.00 6.02 -1.26 -3.92 117.38 126.97 1xwe n GLN 1640Ca 0.39 -0.71 -0.01 0.00 -0.01 0.00 0.00 57.00 56.66 1xwe n GLN 1640Cb 0.49 -0.43 0.22 0.00 1.02 0.00 0.00 30.24 31.55 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe h ALA 1641N 0.00 1.37 0.05 -1.58 0.00 -1.96 -1.40 119.26 115.74 1xwe h ALA 1641Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 1xwe h ALA 1641Cb 1.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1xwe h ALA 1641CO 0.00 0.52 -1.72 0.34 0.00 0.00 0.00 179.25 178.38 1xwe n PHE 1642N -4.37 1.01 -0.23 0.00 -0.00 -1.26 -3.97 117.46 108.63 1xwe n PHE 1642Ca 0.07 0.32 0.02 0.00 -0.00 0.00 0.00 57.45 57.85 1xwe n PHE 1642Cb 0.10 -1.12 0.14 0.00 -0.00 0.00 0.00 39.48 38.60 1xwe n PHE 1642CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1xwe h LEU 1643N -0.50 0.30 0.21 -2.13 3.38 -1.88 0.30 115.31 114.99 1xwe h LEU 1643Ca -0.42 0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.64 1xwe h LEU 1643Cb 1.67 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.44 1xwe h LEU 1643CO -0.09 0.16 -0.27 0.00 0.09 0.00 0.00 178.44 178.33 1xwe h ALA 1644N 1.46 -0.52 0.00 1.53 0.00 -1.44 0.38 119.26 120.67 1xwe h ALA 1644Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1xwe h ALA 1644Cb 0.45 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xwe h ALA 1644CO -0.33 -0.83 0.00 -1.71 0.00 0.00 0.00 179.25 176.38 1xwe n ASN 1645N -5.39 0.35 0.07 0.00 5.15 -0.90 -1.84 115.26 112.71 1xwe n ASN 1645Ca -0.08 0.59 0.07 0.00 -0.60 0.00 0.00 54.58 54.56 1xwe n ASN 1645Cb 0.30 -0.66 -0.04 0.00 -0.53 0.00 0.00 39.78 38.85 1xwe n ASN 1645CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1xwe n LEU 1646N -1.89 0.83 0.01 1.20 7.94 0.99 -3.99 117.00 122.09 1xwe n LEU 1646Ca 0.02 0.34 -0.04 0.00 -1.11 0.00 0.00 56.01 55.22 1xwe n LEU 1646Cb 0.19 -0.01 0.18 0.00 0.53 0.00 0.00 43.42 44.31 1xwe n LEU 1646CO 0.16 -0.06 0.70 0.44 -1.11 0.00 0.00 177.39 177.52 1xwe h ASP 1647N 0.00 0.50 -0.10 1.96 3.32 0.43 0.33 116.42 122.87 1xwe h ASP 1647Ca -0.06 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 56.83 1xwe h ASP 1647Cb 1.22 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1xwe h ASP 1647CO 0.02 0.77 0.14 -0.08 -1.72 0.00 0.00 179.24 178.37 1xwe h GLU 1648N 0.43 0.00 0.00 3.56 4.81 -1.69 -1.40 114.58 120.29 1xwe h GLU 1648Ca 0.06 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1xwe h GLU 1648Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1xwe h GLU 1648CO 0.06 0.00 -1.59 0.34 -0.73 0.00 0.00 179.01 177.09 1xwe n PHE 1649N -3.58 0.00 0.05 0.92 7.35 -0.94 -3.82 117.46 117.43 1xwe n PHE 1649Ca -0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 1xwe n PHE 1649Cb 0.24 -0.35 0.22 0.00 0.35 0.00 0.00 39.48 39.94 1xwe n PHE 1649CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwe h ALA 1650N 0.87 1.12 0.00 3.13 0.00 0.51 -2.88 119.26 122.01 1xwe h ALA 1650Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xwe h ALA 1650Cb 0.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1xwe h ALA 1650CO 0.01 0.56 -0.98 -1.91 0.00 0.00 0.00 179.25 176.92 1xwe n GLU 1651N -4.10 0.42 0.00 0.00 2.13 -0.61 -4.02 120.64 114.47 1xwe n GLU 1651Ca -0.01 -0.01 -0.00 0.00 0.66 0.00 0.00 57.16 57.80 1xwe n GLU 1651Cb 0.42 -1.44 -0.00 0.00 0.27 0.00 0.00 31.44 30.69 1xwe n GLU 1651CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1xwe h ASP 1652N 0.00 -0.01 -0.04 4.31 1.82 -1.62 -1.89 116.42 118.99 1xwe h ASP 1652Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1xwe h ASP 1652Cb 0.49 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 1xwe h ASP 1652CO 0.00 0.02 0.06 -0.29 -1.61 0.00 0.00 179.24 177.42 1xwe h ILE 1653N -0.07 0.33 0.07 2.25 6.09 -1.77 0.55 117.51 124.96 1xwe h ILE 1653Ca -0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1xwe h ILE 1653Cb 0.01 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1xwe h ILE 1653CO 0.00 0.00 -0.04 0.15 -3.07 0.00 0.00 178.15 175.20 1xwe h PHE 1654N 0.00 -0.09 0.00 2.19 3.57 -1.70 -3.09 116.94 117.82 1xwe h PHE 1654Ca 0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1xwe h PHE 1654Cb 0.14 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1xwe h PHE 1654CO 0.00 0.47 -0.07 1.25 -2.23 0.00 0.00 178.31 177.72 1xwe h LEU 1655N -0.87 0.00 0.36 0.59 6.46 -0.87 -3.41 115.31 117.56 1xwe h LEU 1655Ca -0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1xwe h LEU 1655Cb 0.60 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1xwe h LEU 1655CO 0.02 0.27 -0.20 0.78 -0.62 0.00 0.00 178.44 178.68 1xwe h ASN 1656N -0.46 -0.50 -4.31 1.25 2.35 -0.09 -3.49 115.58 110.33 1xwe h ASN 1656Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1xwe h ASN 1656Cb 0.07 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1xwe h ASN 1656CO 0.00 -0.32 0.00 0.61 -1.65 0.00 0.00 177.43 176.07 1xwe n GLY 1657N -1.26 -2.83 0.00 2.83 0.00 -0.64 -4.98 105.19 98.30 1xwe n GLY 1657Ca -0.06 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.39 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32