#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe h SER 1509N 0.00 0.00 0.00 1.61 0.02 -2.04 -3.47 113.55 109.67 1xwe h SER 1509Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xwe h SER 1509Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xwe h SER 1509CO 0.00 0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.91 1xwe n HIS 1510N -2.99 0.00 -3.64 3.45 -0.00 -1.26 -5.12 115.22 105.66 1xwe n HIS 1510Ca -0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.61 1xwe n HIS 1510Cb 0.06 0.03 -0.07 0.00 -0.00 0.00 0.00 29.99 30.01 1xwe n HIS 1510CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xwe s MET 1511N 0.00 0.52 -0.17 -1.40 0.00 -1.26 -5.16 119.30 111.83 1xwe s MET 1511Ca 0.00 0.63 -0.07 0.00 0.00 0.00 0.00 55.69 56.26 1xwe s MET 1511Cb 0.00 0.25 0.08 0.00 0.00 0.00 0.00 34.83 35.15 1xwe s MET 1511CO 0.00 -0.06 0.37 0.00 0.00 0.00 0.00 175.02 175.33 1xwe s ALA 1512N 0.30 -0.96 0.00 3.16 0.00 -1.26 -5.01 121.76 117.98 1xwe s ALA 1512Ca 0.02 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1xwe s ALA 1512Cb -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1xwe s ALA 1512CO -0.06 -0.61 0.28 -0.25 0.00 0.00 0.00 175.76 175.12 1xwe n ASP 1513N 5.10 0.00 -3.27 0.00 9.92 -1.26 -2.34 116.55 124.70 1xwe n ASP 1513Ca -0.12 0.28 -0.22 0.00 -0.53 0.00 0.00 54.79 54.20 1xwe n ASP 1513Cb 0.51 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xwe n GLY 1515N -1.18 1.28 4.88 0.00 0.00 -1.25 -3.44 105.19 105.47 1xwe n GLY 1515Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xwe n GLY 1515CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xwe n GLN 1516N 0.00 0.00 -0.21 1.61 6.02 -1.24 -4.70 117.38 118.86 1xwe n GLN 1516Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1xwe n GLN 1516Cb 0.00 -0.02 -0.01 0.00 1.02 0.00 0.00 30.24 31.23 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1xwe n MET 1517N 0.00 -0.42 -3.89 -1.09 2.81 -1.26 -4.79 117.12 108.48 1xwe n MET 1517Ca 0.00 0.28 -0.11 0.00 -1.81 0.00 0.00 57.70 56.06 1xwe n MET 1517Cb 0.00 -0.51 -0.11 0.00 -0.71 0.00 0.00 33.22 31.89 1xwe n MET 1517CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1xwe s GLN 1518N -0.38 0.40 1.02 0.03 -0.21 -1.26 -5.06 119.66 114.20 1xwe s GLN 1518Ca 0.00 -0.37 -0.13 0.00 0.02 0.00 0.00 55.36 54.89 1xwe s GLN 1518Cb 0.00 0.16 0.20 0.00 1.00 0.00 0.00 33.01 34.37 1xwe s GLN 1518CO 0.00 -0.09 1.09 -1.21 -2.12 0.00 0.00 175.29 172.97 1xwe s GLU 1519N -1.20 0.27 -0.15 2.91 0.41 -1.26 -4.74 118.70 114.95 1xwe s GLU 1519Ca -0.13 0.48 -0.29 0.00 -0.41 0.00 0.00 54.97 54.61 1xwe s GLU 1519Cb -0.07 -1.72 -0.02 0.00 -1.78 0.00 0.00 34.13 30.54 1xwe s GLU 1519CO 0.01 -2.83 1.24 -1.21 -0.49 0.00 0.00 175.26 171.98 1xwe s GLU 1520N -4.97 4.26 -0.22 1.61 2.02 -1.26 -4.37 118.70 115.77 1xwe s GLU 1520Ca 0.66 1.65 -0.05 0.00 0.02 0.00 0.00 54.97 57.25 1xwe s GLU 1520Cb -0.19 -3.72 0.02 0.00 0.10 0.00 0.00 34.13 30.34 1xwe s GLU 1520CO 0.58 -0.66 0.10 1.28 0.02 0.00 0.00 175.26 176.58 1xwe n LEU 1521N 6.34 -6.76 -3.99 1.80 4.77 -1.26 -4.99 117.00 112.90 1xwe n LEU 1521Ca 0.13 1.68 -0.31 0.00 -0.03 0.00 0.00 56.01 57.49 1xwe n LEU 1521Cb 0.45 -3.09 -0.15 0.00 -2.33 0.00 0.00 43.42 38.30 1xwe n LEU 1521CO 0.56 -3.41 -0.33 -0.62 -1.33 0.00 0.00 177.39 172.26 1xwe s ASP 1522N -1.11 4.69 -0.95 -1.43 2.15 -1.26 -5.06 116.67 113.70 1xwe s ASP 1522Ca -0.11 -2.12 -0.19 0.00 0.43 0.00 0.00 52.55 50.55 1xwe s ASP 1522Cb 0.01 -1.55 0.12 0.00 -0.30 0.00 0.00 42.92 41.19 1xwe s ASP 1522CO 0.68 -0.38 1.19 -0.76 -0.17 0.00 0.00 175.17 175.73 1xwe s LEU 1523N 0.96 4.78 0.00 -1.34 1.43 -1.26 -3.91 118.68 119.34 1xwe s LEU 1523Ca 0.11 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.26 1xwe s LEU 1523Cb -0.19 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.60 1xwe s LEU 1523CO -0.10 -1.14 0.00 1.07 0.23 0.00 0.00 176.35 176.41 1xwe n THR 1524N 5.74 0.00 -3.61 5.49 5.66 -1.26 -5.14 114.28 121.16 1xwe n THR 1524Ca 0.26 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.88 1xwe n THR 1524Cb 0.49 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 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 5.23 0.67 1.09 1.01 -1.25 -5.10 121.20 122.85 1xwe s ILE 1525Ca 0.00 0.60 -0.08 0.00 0.00 0.00 0.00 60.65 61.18 1xwe s ILE 1525Cb 0.00 -3.61 0.15 0.00 0.01 0.00 0.00 42.46 39.01 1xwe s ILE 1525CO 0.00 0.55 0.92 -1.54 0.00 0.00 0.00 174.94 174.86 1xwe n SER 1526N 2.27 0.45 -0.00 3.58 3.41 -1.26 -4.99 113.62 117.08 1xwe n SER 1526Ca -0.15 -1.56 0.10 0.00 -0.26 0.00 0.00 58.87 56.99 1xwe n SER 1526Cb 0.53 -0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 1xwe n SER 1526CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n ALA 1527N -3.37 4.04 1.12 7.33 0.00 -1.26 -4.20 120.51 124.17 1xwe n ALA 1527Ca -0.15 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 52.87 1xwe n ALA 1527Cb 0.44 -0.72 0.21 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.71 0.74 0.12 0.00 -0.58 -1.26 -2.97 120.64 114.98 1xwe n GLU 1528Ca 0.01 -0.51 -0.02 0.00 -0.42 0.00 0.00 57.16 56.22 1xwe n GLU 1528Cb 0.38 -1.49 0.19 0.00 -0.57 0.00 0.00 31.44 29.95 1xwe n GLU 1528CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xwe h THR 1529N 1.25 1.38 0.00 2.62 1.03 -1.98 -3.21 112.91 114.00 1xwe h THR 1529Ca 0.00 -1.86 -0.04 0.00 -0.01 0.00 0.00 66.41 64.51 1xwe h THR 1529Cb 0.57 1.96 -0.01 0.00 -1.07 0.00 0.00 68.15 69.60 1xwe h THR 1529CO 0.00 0.54 -1.50 -2.11 -0.01 0.00 0.00 175.52 172.45 1xwe n ARG 1530N -3.90 0.79 0.06 0.00 1.85 -1.26 -4.48 116.66 109.71 1xwe n ARG 1530Ca -0.02 -0.07 -0.12 0.00 -1.00 0.00 0.00 57.85 56.64 1xwe n ARG 1530Cb 0.56 -1.24 -0.07 0.00 -1.05 0.00 0.00 32.46 30.67 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1xwe h LYS 1531N 0.00 -0.07 0.00 2.89 3.11 -1.61 -0.38 116.57 120.51 1xwe h LYS 1531Ca -0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1xwe h LYS 1531Cb 0.70 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 1xwe h LYS 1531CO 0.00 -0.05 0.00 -0.56 -2.81 0.00 0.00 179.45 176.04 1xwe h GLN 1532N -0.07 0.00 0.00 1.90 3.07 -1.81 -1.00 115.11 117.20 1xwe h GLN 1532Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.58 1xwe h GLN 1532Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.60 1xwe h GLN 1532CO -0.01 0.00 -0.95 1.15 0.09 0.00 0.00 178.83 179.11 1xwe h THR 1533N 0.00 1.00 0.38 1.86 2.02 -1.34 -3.07 112.91 113.75 1xwe h THR 1533Ca 0.00 -2.52 -0.02 0.00 0.77 0.00 0.00 66.41 64.64 1xwe h THR 1533Cb 0.20 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1xwe h THR 1533CO 0.00 0.57 -0.18 0.00 0.37 0.00 0.00 175.52 176.28 1xwe h ALA 1534N 1.31 -0.76 0.00 6.16 0.00 0.07 -3.09 119.26 122.95 1xwe h ALA 1534Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xwe h ALA 1534Cb 1.59 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1xwe h ALA 1534CO 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.60 1xwe n LYS 1536N -1.52 2.69 0.15 0.00 4.81 -1.16 -4.85 118.16 118.29 1xwe n LYS 1536Ca 0.02 0.95 0.08 0.00 -0.87 0.00 0.00 58.31 58.49 1xwe n LYS 1536Cb 0.09 -2.71 0.44 0.00 0.02 0.00 0.00 35.03 32.88 1xwe n LYS 1536CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1xwe n PRO 1537N 1.38 0.11 0.07 1.64 -0.02 -1.26 -0.71 135.00 136.21 1xwe n PRO 1537Ca 0.05 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.03 1xwe n PRO 1537Cb 0.38 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.06 -4.66 -0.52 4.81 -1.88 -3.42 114.58 108.96 1xwe h GLU 1538Ca 0.00 -0.09 -0.70 0.00 -0.13 0.00 0.00 59.36 58.44 1xwe h GLU 1538Cb 0.26 0.04 -0.24 0.00 0.63 0.00 0.00 28.75 29.43 1xwe h GLU 1538CO 0.00 1.04 -0.54 0.42 -0.73 0.00 0.00 179.01 179.21 1xwe s ILE 1539N -2.71 4.52 0.00 2.32 1.09 0.11 -3.51 121.20 123.03 1xwe s ILE 1539Ca -0.00 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.83 1xwe s ILE 1539Cb 0.09 -3.45 0.00 0.00 -1.06 0.00 0.00 42.46 38.05 1xwe s ILE 1539CO 0.83 -0.12 0.62 0.00 -0.10 0.00 0.00 174.94 176.17 1xwe n ALA 1540N 4.98 -0.30 -2.74 9.38 0.00 0.18 -4.55 120.51 127.47 1xwe n ALA 1540Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.05 1xwe n ALA 1540Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.16 3.48 -0.32 0.00 -0.85 -0.62 -4.62 117.35 112.26 1xwe s TYR 1541Ca 0.00 0.34 -0.00 0.00 -0.52 0.00 0.00 57.07 56.89 1xwe s TYR 1541Cb 0.00 -1.86 0.13 0.00 0.38 0.00 0.00 41.96 40.61 1xwe s TYR 1541CO 0.00 0.32 0.27 0.00 -1.52 0.00 0.00 175.55 174.62 1xwe s ALA 1542N -1.97 -0.07 0.33 9.51 0.00 -0.92 -2.07 121.76 126.57 1xwe s ALA 1542Ca 0.39 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1xwe s ALA 1542Cb -0.11 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.27 1xwe s ALA 1542CO 0.30 -1.85 0.53 1.52 0.00 0.00 0.00 175.76 176.26 1xwe s TYR 1543N 1.94 0.74 -0.09 0.00 -0.85 -0.95 -0.46 117.35 117.68 1xwe s TYR 1543Ca 0.12 -1.08 0.01 0.00 -0.52 0.00 0.00 57.07 55.60 1xwe s TYR 1543Cb -0.16 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 1xwe s TYR 1543CO -0.23 -1.17 -0.09 0.21 -1.52 0.00 0.00 175.55 172.75 1xwe s LYS 1544N -3.16 2.95 0.22 -3.49 2.20 -0.87 -1.67 119.74 115.92 1xwe s LYS 1544Ca 0.26 -0.60 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1xwe s LYS 1544Cb -0.01 -2.60 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 1xwe s LYS 1544CO 0.16 0.51 0.07 1.33 -0.36 0.00 0.00 175.35 177.06 1xwe n VAL 1545N 2.68 0.00 -3.67 4.02 0.24 -0.90 -1.06 118.33 119.64 1xwe n VAL 1545Ca -0.18 -1.27 -0.10 0.00 -2.04 0.00 0.00 64.34 60.76 1xwe n VAL 1545Cb 0.53 0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 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 -2.35 -0.19 0.31 -1.34 0.15 -0.64 -2.03 113.70 107.61 1xwe s SER 1546Ca 0.10 0.89 -0.30 0.00 0.70 0.00 0.00 55.95 57.35 1xwe s SER 1546Cb 0.00 1.11 -0.12 0.00 -1.71 0.00 0.00 66.02 65.31 1xwe s SER 1546CO 0.07 -0.22 1.49 -0.38 1.20 0.00 0.00 173.24 175.40 1xwe n ILE 1547N 5.16 1.34 0.00 6.45 2.08 -0.93 -1.48 119.36 131.98 1xwe n ILE 1547Ca -0.11 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 62.86 1xwe n ILE 1547Cb 0.51 -1.81 0.00 0.00 -0.75 0.00 0.00 39.64 37.59 1xwe n ILE 1547CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1xwe n THR 1548N 1.49 0.00 -3.71 1.39 -2.24 -1.07 -1.88 114.28 108.26 1xwe n THR 1548Ca 0.07 -0.03 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1xwe n THR 1548Cb 0.36 0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xwe s SER 1549N -0.71 -0.51 -0.19 3.42 0.01 -0.24 -4.88 113.70 110.59 1xwe s SER 1549Ca 0.00 0.96 -0.01 0.00 1.31 0.00 0.00 55.95 58.21 1xwe s SER 1549Cb 0.00 0.95 0.06 0.00 0.21 0.00 0.00 66.02 67.23 1xwe s SER 1549CO 0.00 -0.17 -0.00 -0.63 0.41 0.00 0.00 173.24 172.84 1xwe s ILE 1550N 0.47 0.88 -0.10 1.44 1.01 -1.26 -0.78 121.20 122.86 1xwe s ILE 1550Ca -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 1xwe s ILE 1550Cb -0.04 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1xwe s ILE 1550CO -0.02 -0.10 -0.01 -0.89 0.00 0.00 0.00 174.94 173.92 1xwe s THR 1551N 1.70 4.22 -0.00 2.92 2.01 -0.79 -5.02 115.64 120.68 1xwe s THR 1551Ca -0.02 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1xwe s THR 1551Cb -0.17 -2.79 -0.01 0.00 0.01 0.00 0.00 72.50 69.53 1xwe s THR 1551CO -0.07 0.57 -0.14 0.54 -0.69 0.00 0.00 174.62 174.83 1xwe s VAL 1552N -0.56 1.14 0.00 3.82 0.11 -1.26 -1.45 120.40 122.19 1xwe s VAL 1552Ca 0.09 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1xwe s VAL 1552Cb -0.12 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1xwe s VAL 1552CO 0.02 0.26 0.00 -0.62 -3.33 0.00 0.00 175.10 171.43 1xwe n GLU 1553N 2.56 2.72 0.18 1.54 -0.58 -0.84 -5.02 120.64 121.20 1xwe n GLU 1553Ca -0.15 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.43 1xwe n GLU 1553Cb 0.55 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.33 1xwe n GLU 1553CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1xwe h ASN 1554N 0.00 -1.30 0.00 1.62 2.35 -2.01 -3.41 115.58 112.83 1xwe h ASN 1554Ca 0.00 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1xwe h ASN 1554Cb 0.00 0.46 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1xwe h ASN 1554CO 0.00 -0.55 -0.47 0.52 -1.65 0.00 0.00 177.43 175.28 1xwe n VAL 1555N -5.50 0.85 -0.96 2.81 0.31 -1.26 -5.07 118.33 109.51 1xwe n VAL 1555Ca -0.09 0.23 -0.30 0.00 -0.01 0.00 0.00 64.34 64.17 1xwe n VAL 1555Cb 0.41 -1.61 0.16 0.00 -0.91 0.00 0.00 33.84 31.88 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 -2.07 2.00 -0.22 3.52 0.40 -1.24 -4.28 117.98 116.11 1xwe s PHE 1556Ca -0.03 1.43 -0.20 0.00 -0.60 0.00 0.00 56.93 57.53 1xwe s PHE 1556Cb 0.01 -3.18 0.06 0.00 0.51 0.00 0.00 43.02 40.41 1xwe s PHE 1556CO 0.04 -2.68 0.58 0.54 0.70 0.00 0.00 175.22 174.40 1xwe s VAL 1557N -2.77 0.00 0.16 -0.44 0.11 0.17 -1.98 120.40 115.65 1xwe s VAL 1557Ca 0.65 -0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.78 1xwe s VAL 1557Cb -0.20 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1xwe s VAL 1557CO 0.58 -0.00 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.63 1xwe s LYS 1558N 0.29 1.26 -0.28 1.54 1.02 -0.53 -0.31 119.74 122.74 1xwe s LYS 1558Ca -0.00 -1.39 -0.02 0.00 0.02 0.00 0.00 55.97 54.59 1xwe s LYS 1558Cb -0.04 -1.32 0.09 0.00 -0.52 0.00 0.00 37.83 36.04 1xwe s LYS 1558CO 0.01 0.27 0.08 0.71 -0.92 0.00 0.00 175.35 175.50 1xwe s TYR 1559N -1.99 1.43 -0.03 3.18 1.51 -0.11 -1.89 117.35 119.44 1xwe s TYR 1559Ca 0.15 -1.45 -0.22 0.00 -1.01 0.00 0.00 57.07 54.54 1xwe s TYR 1559Cb -0.06 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1xwe s TYR 1559CO 0.06 -0.81 0.64 0.15 -1.11 0.00 0.00 175.55 174.48 1xwe s LYS 1560N 1.72 4.38 0.16 -0.62 1.02 0.04 -1.93 119.74 124.51 1xwe s LYS 1560Ca 0.07 0.80 -0.02 0.00 0.02 0.00 0.00 55.97 56.83 1xwe s LYS 1560Cb -0.17 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1xwe s LYS 1560CO -0.22 0.23 0.12 0.00 -0.92 0.00 0.00 175.35 174.57 1xwe s ALA 1561N 0.24 0.81 -0.19 5.17 0.00 -0.93 -1.08 121.76 125.77 1xwe s ALA 1561Ca 0.34 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 1xwe s ALA 1561Cb -0.18 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1xwe s ALA 1561CO 0.18 -0.55 0.00 0.99 0.00 0.00 0.00 175.76 176.37 1xwe s THR 1562N -4.07 4.00 -0.24 0.00 2.01 -0.55 -2.88 115.64 113.91 1xwe s THR 1562Ca 0.28 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1xwe s THR 1562Cb 0.06 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 1xwe s THR 1562CO 0.05 0.44 1.88 -0.22 -0.69 0.00 0.00 174.62 176.08 1xwe s LEU 1563N 0.90 3.67 0.01 4.42 2.96 -0.99 -1.62 118.68 128.03 1xwe s LEU 1563Ca 0.01 1.66 -0.27 0.00 -0.22 0.00 0.00 54.13 55.31 1xwe s LEU 1563Cb -0.14 -3.52 -0.15 0.00 0.50 0.00 0.00 46.19 42.87 1xwe s LEU 1563CO 0.02 -1.60 1.14 -0.07 -1.32 0.00 0.00 176.35 174.51 1xwe h LEU 1564N 13.27 -0.79 -7.39 -0.68 3.38 -1.38 -1.19 115.31 120.53 1xwe h LEU 1564Ca -0.37 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1xwe h LEU 1564Cb 1.19 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.97 1xwe h LEU 1564CO 1.00 -0.41 -0.12 -1.81 0.09 0.00 0.00 178.44 177.19 1xwe s ASP 1565N -4.49 -0.27 -0.19 -0.43 1.01 -0.90 -4.05 116.67 107.34 1xwe s ASP 1565Ca -0.14 0.00 -0.08 0.00 0.71 0.00 0.00 52.55 53.03 1xwe s ASP 1565Cb 0.02 0.42 -0.04 0.00 1.01 0.00 0.00 42.92 44.32 1xwe s ASP 1565CO 0.44 -0.65 0.09 -0.63 0.21 0.00 0.00 175.17 174.63 1xwe s ILE 1566N -2.40 5.07 -0.29 0.77 1.01 -1.26 -2.05 121.20 122.04 1xwe s ILE 1566Ca -0.06 0.07 0.15 0.00 0.00 0.00 0.00 60.65 60.81 1xwe s ILE 1566Cb -0.01 -3.29 -0.20 0.00 0.01 0.00 0.00 42.46 38.96 1xwe s ILE 1566CO -0.02 0.46 0.44 -1.22 0.00 0.00 0.00 174.94 174.61 1xwe n TYR 1567N 3.44 0.00 -3.15 3.97 4.02 -0.48 -4.89 117.16 120.07 1xwe n TYR 1567Ca -0.16 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.76 1xwe n TYR 1567Cb 0.52 -0.20 -0.01 0.00 -0.02 0.00 0.00 39.34 39.63 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 -2.77 0.57 0.17 -0.72 2.20 0.39 -4.88 119.74 114.70 1xwe s LYS 1568Ca -0.01 0.90 -0.31 0.00 -0.36 0.00 0.00 55.97 56.19 1xwe s LYS 1568Cb 0.10 0.48 -0.17 0.00 -1.51 0.00 0.00 37.83 36.74 1xwe s LYS 1568CO 0.61 -0.71 0.82 2.41 -0.36 0.00 0.00 175.35 178.12 1xwe n THR 1569N 5.43 1.41 -2.98 3.43 -1.04 -1.26 -2.17 114.28 117.11 1xwe n THR 1569Ca 0.00 -0.35 -0.39 0.00 -2.04 0.00 0.00 64.05 61.27 1xwe n THR 1569Cb 0.52 -0.32 -0.06 0.00 -1.82 0.00 0.00 70.33 68.65 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 -0.55 2.91 0.66 3.41 0.00 -1.26 -4.45 107.32 108.04 1xwe s GLY 1570Ca 0.70 0.36 0.30 0.00 0.00 0.00 0.00 44.72 46.07 1xwe s GLY 1570CO 0.56 0.90 1.91 0.83 0.00 0.00 0.00 173.10 177.30 1xwe h GLU 1571N 4.47 0.00 0.00 2.90 5.08 -1.91 -3.35 114.58 121.76 1xwe h GLU 1571Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1xwe h GLU 1571Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1xwe h GLU 1571CO 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 1xwe n ALA 1572N -1.95 0.00 -0.75 3.43 0.00 -1.26 -4.91 120.51 115.07 1xwe n ALA 1572Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1xwe n ALA 1572Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 2.45 -2.00 0.00 3.14 -1.26 -4.90 118.33 115.76 1xwe n VAL 1573Ca 0.00 -1.12 -0.43 0.00 -2.96 0.00 0.00 64.34 59.83 1xwe n VAL 1573Cb 0.00 -1.56 -0.03 0.00 -1.06 0.00 0.00 33.84 31.19 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 -0.34 3.22 0.02 1.55 0.00 -1.26 -4.98 121.76 119.98 1xwe s ALA 1574Ca 0.24 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.81 1xwe s ALA 1574Cb 0.14 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 1xwe s ALA 1574CO -0.02 -2.04 -0.09 -1.21 0.00 0.00 0.00 175.76 172.41 1xwe s GLU 1575N 4.89 0.63 -0.12 0.00 0.41 -1.26 -4.38 118.70 118.87 1xwe s GLU 1575Ca 0.77 -0.54 -0.36 0.00 -0.41 0.00 0.00 54.97 54.43 1xwe s GLU 1575Cb -0.28 -0.55 -0.14 0.00 -1.78 0.00 0.00 34.13 31.38 1xwe s GLU 1575CO 0.31 0.14 1.77 1.17 -0.49 0.00 0.00 175.26 178.16 1xwe n LYS 1576N 2.18 1.73 -2.75 1.61 4.81 -1.26 -2.19 118.16 122.30 1xwe n LYS 1576Ca -0.17 0.63 -0.11 0.00 -0.87 0.00 0.00 58.31 57.79 1xwe n LYS 1576Cb 0.56 -2.40 0.05 0.00 0.02 0.00 0.00 35.03 33.26 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xwe n ASP 1577N 5.63 -5.34 -3.67 3.14 2.03 -0.45 -5.04 116.55 112.85 1xwe n ASP 1577Ca 0.23 -0.50 -0.18 0.00 0.52 0.00 0.00 54.79 54.86 1xwe n ASP 1577Cb 0.23 -3.88 -0.02 0.00 -0.72 0.00 0.00 41.12 36.73 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1xwe n SER 1578N -2.72 2.50 -4.64 1.67 7.64 -0.93 -4.87 113.62 112.27 1xwe n SER 1578Ca -0.05 -2.26 -0.35 0.00 1.01 0.00 0.00 58.87 57.22 1xwe n SER 1578Cb 0.58 0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.80 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xwe s GLU 1579N -3.23 3.58 0.00 1.43 2.12 -1.26 -2.33 118.70 119.01 1xwe s GLU 1579Ca 0.08 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1xwe s GLU 1579Cb -0.01 -3.02 -0.00 0.00 0.26 0.00 0.00 34.13 31.36 1xwe s GLU 1579CO 0.05 0.44 -0.01 0.96 -0.54 0.00 0.00 175.26 176.16 1xwe s ILE 1580N -0.12 0.07 -0.22 -3.70 -4.36 -1.14 -5.00 121.20 106.73 1xwe s ILE 1580Ca 0.05 -0.07 0.02 0.00 -0.26 0.00 0.00 60.65 60.39 1xwe s ILE 1580Cb -0.12 -0.07 0.05 0.00 1.25 0.00 0.00 42.46 43.56 1xwe s ILE 1580CO 0.02 -0.00 -0.11 -0.89 0.24 0.00 0.00 174.94 174.19 1xwe s THR 1581N -0.07 1.88 -0.54 8.37 2.01 -1.26 -2.18 115.64 123.84 1xwe s THR 1581Ca -0.00 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 60.57 1xwe s THR 1581Cb -0.01 -1.96 0.11 0.00 0.01 0.00 0.00 72.50 70.66 1xwe s THR 1581CO -0.00 0.11 0.54 -0.36 -0.69 0.00 0.00 174.62 174.21 1xwe s PHE 1582N 1.27 3.18 0.49 4.92 0.08 -0.81 -1.22 117.98 125.89 1xwe s PHE 1582Ca -0.04 -1.10 -0.07 0.00 0.12 0.00 0.00 56.93 55.84 1xwe s PHE 1582Cb -0.18 -3.71 -0.04 0.00 -0.57 0.00 0.00 43.02 38.52 1xwe s PHE 1582CO -0.07 -1.04 0.83 0.96 -0.10 0.00 0.00 175.22 175.79 1xwe s ILE 1583N 1.92 4.84 -0.22 0.64 -4.36 -0.70 -0.94 121.20 122.39 1xwe s ILE 1583Ca 0.06 0.42 -0.27 0.00 -0.26 0.00 0.00 60.65 60.60 1xwe s ILE 1583Cb -0.27 -3.84 0.10 0.00 1.25 0.00 0.00 42.46 39.70 1xwe s ILE 1583CO 0.05 -0.83 0.86 -0.75 0.24 0.00 0.00 174.94 174.51 1xwe s LYS 1584N -4.62 0.73 0.00 0.37 2.36 0.58 -3.03 119.74 116.13 1xwe s LYS 1584Ca 0.50 0.60 0.00 0.00 -2.55 0.00 0.00 55.97 54.52 1xwe s LYS 1584Cb -0.10 0.35 0.00 0.00 -1.05 0.00 0.00 37.83 37.03 1xwe s LYS 1584CO 0.43 -0.14 0.00 1.63 1.55 0.00 0.00 175.35 178.83 1xwe n LYS 1585N 1.91 0.00 0.00 4.03 4.76 -1.26 -0.65 118.16 126.95 1xwe n LYS 1585Ca -0.14 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 1xwe n LYS 1585Cb 0.56 -0.50 0.00 0.00 -1.84 0.00 0.00 35.03 33.25 1xwe n LYS 1585CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1xwe n VAL 1586N -0.00 0.00 -0.05 -0.18 3.14 -1.26 -2.84 118.33 117.14 1xwe n VAL 1586Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1xwe n VAL 1586Cb 0.00 0.00 0.12 0.00 -1.06 0.00 0.00 33.84 32.90 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 1.28 -1.02 1.55 1.35 -1.93 -3.40 112.91 110.73 1xwe h THR 1587Ca 0.00 -1.38 -0.25 0.00 -0.55 0.00 0.00 66.41 64.23 1xwe h THR 1587Cb 0.00 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1xwe h THR 1587CO 0.00 0.45 0.86 0.00 -0.25 0.00 0.00 175.52 176.58 1xwe n THR 1589N 8.34 1.68 0.24 0.00 -1.04 -1.19 -4.11 114.28 118.20 1xwe n THR 1589Ca 0.41 -0.70 0.10 0.00 -2.04 0.00 0.00 64.05 61.82 1xwe n THR 1589Cb 0.49 -1.42 0.61 0.00 -1.82 0.00 0.00 70.33 68.19 1xwe n THR 1589CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1xwe h ASN 1590N 0.04 0.00 -3.72 8.00 -0.73 -1.52 -3.40 115.58 114.25 1xwe h ASN 1590Ca -0.41 0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.13 1xwe h ASN 1590Cb 2.03 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 40.47 1xwe h ASN 1590CO 0.06 0.18 -0.25 0.00 -0.37 0.00 0.00 177.43 177.05 1xwe s ALA 1591N -4.24 3.55 -0.03 1.57 0.00 -1.22 -4.31 121.76 117.07 1xwe s ALA 1591Ca -0.03 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1xwe s ALA 1591Cb 0.14 -2.72 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1xwe s ALA 1591CO 0.63 -0.72 0.33 -2.00 0.00 0.00 0.00 175.76 174.00 1xwe s GLU 1592N 2.06 0.65 0.04 0.00 2.12 -1.26 -4.94 118.70 117.38 1xwe s GLU 1592Ca 0.14 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.46 1xwe s GLU 1592Cb -0.16 0.29 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 1xwe s GLU 1592CO 0.10 -0.17 -0.16 -0.51 -0.54 0.00 0.00 175.26 173.98 1xwe s LEU 1593N -1.11 2.17 -0.07 2.70 1.43 -1.26 -5.07 118.68 117.47 1xwe s LEU 1593Ca -0.12 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.49 1xwe s LEU 1593Cb -0.05 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1xwe s LEU 1593CO 0.04 0.08 0.04 -0.69 0.23 0.00 0.00 176.35 176.05 1xwe s VAL 1594N -0.82 4.61 0.10 -1.59 1.01 -1.26 -5.09 120.40 117.36 1xwe s VAL 1594Ca 0.03 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1xwe s VAL 1594Cb -0.08 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1xwe s VAL 1594CO 0.01 0.54 1.05 -0.75 0.00 0.00 0.00 175.10 175.95 1xwe s LYS 1595N -1.15 4.59 0.00 2.72 2.20 -1.26 -3.25 119.74 123.59 1xwe s LYS 1595Ca 0.16 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1xwe s LYS 1595Cb -0.12 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 1xwe s LYS 1595CO 0.06 0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.49 1xwe n GLY 1596N 2.52 2.09 3.98 5.54 0.00 -0.79 -5.01 105.19 113.52 1xwe n GLY 1596Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 2.08 -0.06 1.61 0.52 -1.20 -4.89 118.95 116.28 1xwe s ARG 1597Ca 0.00 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.32 1xwe s ARG 1597Cb 0.00 -2.39 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 1xwe s ARG 1597CO 0.00 -1.12 -0.13 -0.65 0.02 0.00 0.00 175.30 173.42 1xwe s GLN 1598N -4.98 2.66 -0.05 3.54 -0.21 -1.26 -2.19 119.66 117.17 1xwe s GLN 1598Ca 0.62 -0.67 -0.03 0.00 0.02 0.00 0.00 55.36 55.30 1xwe s GLN 1598Cb -0.08 -2.44 0.02 0.00 1.00 0.00 0.00 33.01 31.51 1xwe s GLN 1598CO 0.42 0.57 0.12 0.71 -2.12 0.00 0.00 175.29 174.98 1xwe s TYR 1599N -0.58 -0.12 0.05 0.91 2.02 -0.86 -1.50 117.35 117.26 1xwe s TYR 1599Ca 0.08 0.35 -0.26 0.00 -0.37 0.00 0.00 57.07 56.87 1xwe s TYR 1599Cb -0.11 -0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.37 1xwe s TYR 1599CO 0.01 -0.10 0.82 -1.17 -1.57 0.00 0.00 175.55 173.54 1xwe s LEU 1600N 0.55 4.45 -0.05 -1.29 2.96 -0.21 -2.12 118.68 122.98 1xwe s LEU 1600Ca -0.04 1.53 0.02 0.00 -0.22 0.00 0.00 54.13 55.42 1xwe s LEU 1600Cb -0.06 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.32 1xwe s LEU 1600CO -0.02 -0.02 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.26 1xwe s ILE 1601N 0.02 0.88 -0.10 6.68 1.01 -0.67 -1.96 121.20 127.06 1xwe s ILE 1601Ca 0.41 -0.36 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1xwe s ILE 1601Cb -0.21 -0.82 0.05 0.00 0.01 0.00 0.00 42.46 41.49 1xwe s ILE 1601CO 0.25 0.29 0.20 -0.04 0.00 0.00 0.00 174.94 175.64 1xwe s MET 1602N 0.56 0.10 -0.01 2.79 -1.94 -0.80 -2.23 119.30 117.77 1xwe s MET 1602Ca -0.10 0.58 -0.03 0.00 -1.71 0.00 0.00 55.69 54.43 1xwe s MET 1602Cb -0.13 -0.16 0.01 0.00 2.01 0.00 0.00 34.83 36.55 1xwe s MET 1602CO 0.02 -0.26 0.12 0.41 -0.01 0.00 0.00 175.02 175.30 1xwe n GLY 1603N 4.98 0.44 3.31 -0.03 0.00 -0.88 -1.98 105.19 111.04 1xwe n GLY 1603Ca -0.12 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1xwe n GLY 1603CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xwe n LYS 1604N -0.09 -0.95 -0.11 1.61 4.76 -1.23 0.50 118.16 122.65 1xwe n LYS 1604Ca 0.01 -0.25 -0.03 0.00 -2.87 0.00 0.00 58.31 55.17 1xwe n LYS 1604Cb 0.05 -1.71 0.02 0.00 -1.84 0.00 0.00 35.03 31.56 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1xwe n GLU 1605N -1.56 -1.09 -2.50 1.97 0.28 -1.26 -4.50 120.64 111.98 1xwe n GLU 1605Ca 0.03 -0.17 -0.19 0.00 -0.16 0.00 0.00 57.16 56.67 1xwe n GLU 1605Cb 0.59 -0.15 0.09 0.00 1.43 0.00 0.00 31.44 33.40 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 -3.16 0.50 -2.57 -1.84 0.00 -1.26 -4.82 120.51 107.36 1xwe n ALA 1606Ca -0.02 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1xwe n ALA 1606Cb 0.05 0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -3.15 0.00 4.77 -0.48 -4.90 117.00 113.24 1xwe n LEU 1607Ca 0.15 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.18 1xwe n LEU 1607Cb 0.53 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1xwe n LEU 1607CO 0.35 -0.17 0.54 0.00 -1.33 0.00 0.00 177.39 176.78 1xwe s GLN 1608N 0.79 0.15 0.00 3.23 -2.07 -1.26 -3.51 119.66 116.99 1xwe s GLN 1608Ca 0.00 0.18 0.22 0.00 -1.82 0.00 0.00 55.36 53.94 1xwe s GLN 1608Cb 0.00 0.09 0.53 0.00 -1.09 0.00 0.00 33.01 32.54 1xwe s GLN 1608CO 0.00 -0.25 1.45 1.51 -1.32 0.00 0.00 175.29 176.67 1xwe n ILE 1609N 5.20 0.39 -4.98 3.63 0.13 -1.26 -4.89 119.36 117.58 1xwe n ILE 1609Ca 0.05 -0.59 0.00 0.00 -1.10 0.00 0.00 62.75 61.11 1xwe n ILE 1609Cb 0.57 0.75 0.00 0.00 -0.84 0.00 0.00 39.64 40.12 1xwe n ILE 1609CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1xwe n LYS 1610N 1.06 0.00 -1.90 9.51 4.01 -1.26 -4.84 118.16 124.74 1xwe n LYS 1610Ca 0.18 0.00 -0.04 0.00 -0.51 0.00 0.00 58.31 57.94 1xwe n LYS 1610Cb 0.50 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 35.02 1xwe n LYS 1610CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1xwe n TYR 1611N -0.08 -0.16 -4.03 2.13 4.01 -1.26 -3.87 117.16 113.90 1xwe n TYR 1611Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.63 1xwe n TYR 1611Cb 0.00 -1.51 -0.05 0.00 -0.31 0.00 0.00 39.34 37.48 1xwe n TYR 1611CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1xwe s ASN 1612N -2.84 0.29 0.00 7.72 0.01 -1.26 -4.93 114.94 113.92 1xwe s ASN 1612Ca 0.00 -1.17 0.08 0.00 -0.71 0.00 0.00 52.86 51.06 1xwe s ASN 1612Cb 0.00 0.62 0.47 0.00 0.41 0.00 0.00 41.25 42.75 1xwe s ASN 1612CO 0.00 -1.22 1.11 0.00 -1.51 0.00 0.00 177.10 175.48 1xwe n ALA 1613N -0.45 2.32 -1.51 0.60 0.00 -1.26 -3.35 120.51 116.87 1xwe n ALA 1613Ca -0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1xwe n ALA 1613Cb 0.62 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.66 -0.09 -1.04 0.00 3.41 -1.26 -5.15 113.62 108.82 1xwe n SER 1614Ca 0.06 -0.54 0.13 0.00 -0.26 0.00 0.00 58.87 58.26 1xwe n SER 1614Cb 0.03 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.95 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xwe n PHE 1615N 0.00 -2.73 0.03 7.33 3.72 -1.21 -4.77 117.46 119.83 1xwe n PHE 1615Ca -0.03 1.44 -0.01 0.00 -0.05 0.00 0.00 57.45 58.80 1xwe n PHE 1615Cb 0.27 -2.48 -0.01 0.00 -0.94 0.00 0.00 39.48 36.33 1xwe n PHE 1615CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1xwe h ARG 1616N -1.00 -0.09 -4.25 -1.08 2.43 -1.89 -3.45 114.38 105.05 1xwe h ARG 1616Ca -0.08 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xwe h ARG 1616Cb 0.98 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.51 1xwe h ARG 1616CO 0.04 -0.06 -0.78 0.66 -1.51 0.00 0.00 179.97 178.32 1xwe n TYR 1617N -2.49 -2.58 -4.47 2.20 4.02 -1.23 -4.97 117.16 107.64 1xwe n TYR 1617Ca -0.01 1.32 -0.23 0.00 -0.01 0.00 0.00 57.90 58.97 1xwe n TYR 1617Cb 0.04 -3.01 -0.10 0.00 -0.02 0.00 0.00 39.34 36.24 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 -0.72 1.97 -0.12 -0.72 -4.36 -1.25 -4.83 121.20 111.16 1xwe s ILE 1618Ca -0.08 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.13 1xwe s ILE 1618Cb 0.01 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.23 1xwe s ILE 1618CO 0.48 -0.30 -0.17 -0.31 0.24 0.00 0.00 174.94 174.88 1xwe s TYR 1619N -2.80 2.72 0.86 1.37 1.51 -0.36 -1.38 117.35 119.27 1xwe s TYR 1619Ca 0.30 -0.84 -0.15 0.00 -1.01 0.00 0.00 57.07 55.37 1xwe s TYR 1619Cb 0.02 -1.80 0.21 0.00 -0.11 0.00 0.00 41.96 40.28 1xwe s TYR 1619CO 0.14 -0.32 0.96 -0.35 -1.11 0.00 0.00 175.55 174.86 1xwe n PRO 1620N 3.59 -1.83 -3.35 -1.71 -0.04 -1.26 -1.71 135.00 128.68 1xwe n PRO 1620Ca -0.19 -1.50 -0.06 0.00 -0.04 0.00 0.00 63.50 61.72 1xwe n PRO 1620Cb 0.53 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.83 0.00 1.53 2.96 -1.17 -4.58 118.68 116.60 1xwe s LEU 1621Ca 0.58 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.99 1xwe s LEU 1621Cb -0.03 1.42 0.00 0.00 0.50 0.00 0.00 46.19 48.08 1xwe s LEU 1621CO 0.42 -0.28 0.00 -0.90 -1.32 0.00 0.00 176.35 174.27 1xwe n ASP 1622N 5.39 0.00 -0.35 3.68 5.75 -1.26 -4.86 116.55 124.91 1xwe n ASP 1622Ca -0.04 -0.45 -0.02 0.00 -0.01 0.00 0.00 54.79 54.27 1xwe n ASP 1622Cb 0.50 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.73 1xwe n ASP 1622CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1xwe h SER 1623N 0.00 1.10 -0.02 -1.12 4.64 -1.83 -1.44 113.55 114.88 1xwe h SER 1623Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1xwe h SER 1623Cb 0.00 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1xwe h SER 1623CO 0.00 0.80 0.02 0.25 -0.87 0.00 0.00 176.83 177.03 1xwe h LEU 1624N 1.30 0.00 -8.36 5.97 5.85 -1.92 -3.38 115.31 114.76 1xwe h LEU 1624Ca 0.35 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.53 1xwe h LEU 1624Cb -0.14 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.81 1xwe h LEU 1624CO -0.07 0.00 1.05 -0.89 -0.34 0.00 0.00 178.44 178.18 1xwe s THR 1625N -4.69 3.74 -0.34 1.05 2.01 -0.54 -4.68 115.64 112.18 1xwe s THR 1625Ca -0.05 0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 1xwe s THR 1625Cb 0.15 -4.91 -0.01 0.00 0.01 0.00 0.00 72.50 67.74 1xwe s THR 1625CO 0.56 -1.85 1.63 0.86 -0.69 0.00 0.00 174.62 175.14 1xwe s TRP 1626N 5.70 2.06 -0.07 4.92 -0.11 -0.84 -4.79 118.94 125.82 1xwe s TRP 1626Ca 0.35 0.63 0.04 0.00 1.22 0.00 0.00 56.10 58.33 1xwe s TRP 1626Cb -0.08 -4.16 0.00 0.00 -1.50 0.00 0.00 33.47 27.73 1xwe s TRP 1626CO 0.15 -2.62 -0.18 0.42 -4.62 0.00 0.00 176.95 170.10 1xwe s ILE 1627N 6.08 1.59 -0.01 5.86 1.01 -1.25 -1.90 121.20 132.57 1xwe s ILE 1627Ca 0.72 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1xwe s ILE 1627Cb -0.20 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1xwe s ILE 1627CO 0.32 0.45 -0.07 -0.70 0.00 0.00 0.00 174.94 174.95 1xwe s GLU 1628N 0.29 0.63 -0.37 2.79 2.12 -0.83 -4.40 118.70 118.92 1xwe s GLU 1628Ca -0.11 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.71 1xwe s GLU 1628Cb -0.15 -0.61 -0.00 0.00 0.26 0.00 0.00 34.13 33.63 1xwe s GLU 1628CO 0.05 0.11 1.54 -0.47 -0.54 0.00 0.00 175.26 175.95 1xwe s TYR 1629N 0.05 2.20 -0.42 5.30 5.04 -1.26 -1.05 117.35 127.21 1xwe s TYR 1629Ca -0.00 0.65 -0.26 0.00 -2.44 0.00 0.00 57.07 55.02 1xwe s TYR 1629Cb -0.05 -4.23 0.02 0.00 0.35 0.00 0.00 41.96 38.05 1xwe s TYR 1629CO -0.00 -2.34 0.93 -0.46 -1.34 0.00 0.00 175.55 172.35 1xwe s TRP 1630N 5.87 2.98 -0.54 4.97 -0.11 -0.56 -4.91 118.94 126.64 1xwe s TRP 1630Ca 0.68 0.56 -0.35 0.00 1.22 0.00 0.00 56.10 58.21 1xwe s TRP 1630Cb -0.17 -3.85 -0.15 0.00 -1.50 0.00 0.00 33.47 27.80 1xwe s TRP 1630CO 0.33 -0.99 2.32 -2.30 -4.62 0.00 0.00 176.95 171.69 1xwe n PRO 1631N 7.03 0.59 -0.13 5.86 -0.02 -1.26 -4.41 135.00 142.66 1xwe n PRO 1631Ca 0.07 0.12 0.17 0.00 -2.02 0.00 0.00 63.50 61.84 1xwe n PRO 1631Cb 0.48 -2.16 0.55 0.00 -0.02 0.00 0.00 33.50 32.36 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 12.44 0.30 -6.21 -0.52 2.43 -1.92 -3.41 114.38 117.49 1xwe h ARG 1632Ca -0.18 -0.02 -0.54 0.00 -0.81 0.00 0.00 59.98 58.43 1xwe h ARG 1632Cb 1.33 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.75 1xwe h ARG 1632CO 1.13 0.20 -0.56 -0.51 -1.51 0.00 0.00 179.97 178.72 1xwe s ASP 1633N -5.99 5.43 0.11 -3.80 1.01 -1.26 -5.05 116.67 107.11 1xwe s ASP 1633Ca -0.07 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 52.96 1xwe s ASP 1633Cb 0.21 -1.37 0.00 0.00 1.01 0.00 0.00 42.92 42.77 1xwe s ASP 1633CO 0.76 0.02 0.00 0.35 0.21 0.00 0.00 175.17 176.51 1xwe n THR 1634N -0.73 0.27 0.04 -1.27 -2.24 -1.26 -4.90 114.28 104.19 1xwe n THR 1634Ca -0.08 0.09 0.07 0.00 -2.27 0.00 0.00 64.05 61.86 1xwe n THR 1634Cb 0.56 -0.70 0.16 0.00 -2.10 0.00 0.00 70.33 68.25 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 -3.00 0.68 -0.05 4.28 -2.24 -1.26 -0.06 114.28 112.63 1xwe n THR 1635Ca 0.00 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 60.83 1xwe n THR 1635Cb 0.00 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 68.94 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n SER 1637N -4.78 0.00 -0.03 0.00 2.88 -1.26 -4.94 113.62 105.50 1xwe n SER 1637Ca -0.05 -0.39 -0.09 0.00 -1.33 0.00 0.00 58.87 57.01 1xwe n SER 1637Cb 0.18 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.50 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1xwe n SER 1638N 0.00 0.87 -3.20 -3.46 2.88 -1.25 -5.03 113.62 104.43 1xwe n SER 1638Ca 0.00 0.38 -0.05 0.00 -1.33 0.00 0.00 58.87 57.87 1xwe n SER 1638Cb 0.10 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe n GLN 1640N -1.96 -1.46 -0.03 0.00 1.13 -0.01 -4.93 117.38 110.11 1xwe n GLN 1640Ca -0.06 0.86 -0.02 0.00 -1.94 0.00 0.00 57.00 55.84 1xwe n GLN 1640Cb 0.54 -1.84 -0.01 0.00 0.11 0.00 0.00 30.24 29.04 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xwe n ALA 1641N -1.52 0.21 0.56 -1.58 0.00 -1.25 -4.54 120.51 112.40 1xwe n ALA 1641Ca -0.21 -0.27 0.09 0.00 0.00 0.00 0.00 53.44 53.06 1xwe n ALA 1641Cb 0.60 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 1xwe n ALA 1641CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwe n PHE 1642N -3.37 0.00 0.30 0.00 7.35 -1.26 -4.27 117.46 116.21 1xwe n PHE 1642Ca -0.03 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.83 1xwe n PHE 1642Cb 0.13 -0.16 0.78 0.00 0.35 0.00 0.00 39.48 40.58 1xwe n PHE 1642CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1xwe h LEU 1643N 0.00 0.00 -0.67 -2.13 -0.00 -1.93 -2.83 115.31 107.75 1xwe h LEU 1643Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1xwe h LEU 1643Cb 0.61 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.24 1xwe h LEU 1643CO 0.00 0.00 0.30 0.00 -0.00 0.00 0.00 178.44 178.74 1xwe h ALA 1644N 2.03 0.87 0.00 1.53 0.00 -1.80 -0.61 119.26 121.27 1xwe h ALA 1644Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1xwe h ALA 1644Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xwe h ALA 1644CO 0.00 0.46 -0.35 -0.91 0.00 0.00 0.00 179.25 178.45 1xwe h ASN 1645N 0.94 0.00 1.09 0.00 2.35 -1.79 -3.10 115.58 115.07 1xwe h ASN 1645Ca 0.23 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.84 1xwe h ASN 1645Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1xwe h ASN 1645CO -0.02 0.35 -0.67 -0.07 -1.65 0.00 0.00 177.43 175.36 1xwe h LEU 1646N 0.00 0.00 -1.26 1.61 3.38 -1.38 -3.16 115.31 114.50 1xwe h LEU 1646Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1xwe h LEU 1646Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1xwe h LEU 1646CO 0.04 0.67 -0.36 -0.78 0.09 0.00 0.00 178.44 178.10 1xwe h ASP 1647N 0.00 0.00 -0.15 -0.43 1.82 -1.04 -1.15 116.42 115.47 1xwe h ASP 1647Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1xwe h ASP 1647Cb 1.40 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1xwe h ASP 1647CO 0.09 0.36 0.00 -0.62 -1.61 0.00 0.00 179.24 177.46 1xwe n GLU 1648N -4.02 1.43 -0.02 0.28 -0.58 -1.19 -3.19 120.64 113.35 1xwe n GLU 1648Ca -0.02 -0.66 -0.02 0.00 -0.42 0.00 0.00 57.16 56.04 1xwe n GLU 1648Cb 0.41 -1.24 -0.01 0.00 -0.57 0.00 0.00 31.44 30.03 1xwe n GLU 1648CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xwe n PHE 1649N -0.04 0.00 -0.03 -0.32 7.35 -0.71 -4.34 117.46 119.38 1xwe n PHE 1649Ca 0.10 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.66 1xwe n PHE 1649Cb 0.19 -0.12 -0.09 0.00 0.35 0.00 0.00 39.48 39.81 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 -0.01 0.08 0.00 3.13 0.00 -1.35 -2.10 119.26 119.02 1xwe h ALA 1650Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xwe h ALA 1650Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xwe h ALA 1650CO -0.01 -0.14 0.00 -1.91 0.00 0.00 0.00 179.25 177.19 1xwe n GLU 1651N -4.76 0.49 -0.01 0.00 2.13 -1.19 -2.03 120.64 115.27 1xwe n GLU 1651Ca -0.07 0.01 0.01 0.00 0.66 0.00 0.00 57.16 57.76 1xwe n GLU 1651Cb 0.28 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.36 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 -1.24 0.37 0.01 4.31 2.03 -1.14 -2.92 116.55 117.96 1xwe n ASP 1652Ca 0.15 0.16 0.07 0.00 0.52 0.00 0.00 54.79 55.69 1xwe n ASP 1652Cb 0.21 0.93 -0.12 0.00 -0.72 0.00 0.00 41.12 41.42 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 -2.66 0.48 -0.06 5.18 0.13 -0.80 -0.35 119.36 121.27 1xwe n ILE 1653Ca -0.14 -0.59 -0.21 0.00 -1.10 0.00 0.00 62.75 60.71 1xwe n ILE 1653Cb 0.84 -0.23 -0.12 0.00 -0.84 0.00 0.00 39.64 39.29 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 0.17 0.00 9.51 3.04 -1.59 -3.20 116.94 124.87 1xwe h PHE 1654Ca -0.10 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.73 1xwe h PHE 1654Cb 1.25 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.75 1xwe h PHE 1654CO 0.00 1.55 -0.14 1.25 -2.02 0.00 0.00 178.31 178.95 1xwe h LEU 1655N -0.67 0.00 -0.25 0.59 5.85 -1.75 -3.40 115.31 115.69 1xwe h LEU 1655Ca -0.35 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 1xwe h LEU 1655Cb 1.52 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 1xwe h LEU 1655CO -0.10 0.39 -0.29 0.78 -0.34 0.00 0.00 178.44 178.88 1xwe h ASN 1656N -0.64 0.68 -1.17 1.25 -0.26 -1.64 -3.49 115.58 110.31 1xwe h ASN 1656Ca 0.00 -0.49 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 1xwe h ASN 1656Cb 0.14 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1xwe h ASN 1656CO 0.00 1.03 0.00 0.61 -1.06 0.00 0.00 177.43 178.01 1xwe n GLY 1657N 0.22 -0.81 0.84 2.83 0.00 0.53 -4.96 105.19 103.84 1xwe n GLY 1657Ca -0.05 -1.02 0.11 0.00 0.00 0.00 0.00 46.02 45.06 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32