#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe n SER 1509N 0.00 -0.75 -3.76 1.61 7.64 -1.26 -5.08 113.62 112.02 1xwe n SER 1509Ca 0.00 0.33 -0.28 0.00 1.01 0.00 0.00 58.87 59.93 1xwe n SER 1509Cb 0.00 0.85 -0.16 0.00 -1.01 0.00 0.00 64.21 63.89 1xwe n SER 1509CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1xwe s HIS 1510N -2.00 1.24 -0.05 1.43 3.76 -1.26 -5.00 115.29 113.40 1xwe s HIS 1510Ca 0.00 -1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 53.86 1xwe s HIS 1510Cb 0.00 -1.12 0.02 0.00 1.11 0.00 0.00 32.58 32.59 1xwe s HIS 1510CO 0.00 -0.64 0.09 -1.33 -0.85 0.00 0.00 174.74 172.01 1xwe n MET 1511N 4.99 -4.82 -4.19 1.40 0.00 -1.26 -5.05 117.12 108.18 1xwe n MET 1511Ca -0.09 3.56 -0.19 0.00 0.00 0.00 0.00 57.70 60.97 1xwe n MET 1511Cb 0.47 -4.71 -0.16 0.00 0.00 0.00 0.00 33.22 28.82 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 -0.60 0.64 -1.64 3.04 0.00 -1.25 -4.73 121.76 117.22 1xwe s ALA 1512Ca -0.10 -0.11 0.21 0.00 0.00 0.00 0.00 51.96 51.96 1xwe s ALA 1512Cb 0.01 -0.33 1.15 0.00 0.00 0.00 0.00 23.12 23.94 1xwe s ALA 1512CO 0.28 0.04 1.67 -0.40 0.00 0.00 0.00 175.76 177.35 1xwe n ASP 1513N 3.71 0.00 0.00 0.00 5.75 -1.26 -4.23 116.55 120.52 1xwe n ASP 1513Ca -0.22 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.30 1xwe n ASP 1513Cb 0.53 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xwe n GLY 1515N 0.00 0.15 3.50 0.00 0.00 -1.19 -0.22 105.19 107.43 1xwe n GLY 1515Ca 0.00 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 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 8.04 0.85 -3.11 1.61 7.27 -1.13 -4.03 117.38 126.88 1xwe n GLN 1516Ca 0.44 0.14 -0.39 0.00 0.07 0.00 0.00 57.00 57.26 1xwe n GLN 1516Cb 0.45 -2.59 -0.06 0.00 2.41 0.00 0.00 30.24 30.45 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 1xwe s MET 1517N 7.51 4.39 0.86 3.69 -1.94 -1.26 -4.50 119.30 128.04 1xwe s MET 1517Ca 1.12 0.96 -0.10 0.00 -1.71 0.00 0.00 55.69 55.95 1xwe s MET 1517Cb -0.71 -3.21 0.16 0.00 2.01 0.00 0.00 34.83 33.08 1xwe s MET 1517CO 0.41 0.58 1.19 -0.65 -0.01 0.00 0.00 175.02 176.54 1xwe s GLN 1518N -1.23 1.16 1.15 2.03 -1.52 -1.17 -5.06 119.66 115.02 1xwe s GLN 1518Ca 0.34 -0.59 -0.14 0.00 -1.95 0.00 0.00 55.36 53.01 1xwe s GLN 1518Cb -0.21 -2.03 0.27 0.00 -0.22 0.00 0.00 33.01 30.82 1xwe s GLN 1518CO 0.23 -1.98 1.04 -1.21 -0.25 0.00 0.00 175.29 173.13 1xwe s GLU 1519N -5.59 -0.79 0.07 2.91 2.02 -1.26 -4.80 118.70 111.26 1xwe s GLU 1519Ca 0.70 0.54 0.09 0.00 0.02 0.00 0.00 54.97 56.32 1xwe s GLU 1519Cb -0.05 -1.59 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 1xwe s GLU 1519CO 0.49 -3.56 -0.25 -1.83 0.02 0.00 0.00 175.26 170.14 1xwe s GLU 1520N -4.78 1.75 -0.99 1.61 1.03 -1.26 -4.52 118.70 111.53 1xwe s GLU 1520Ca 0.68 -1.15 0.00 0.00 0.03 0.00 0.00 54.97 54.53 1xwe s GLU 1520Cb -0.20 -1.99 0.00 0.00 -0.80 0.00 0.00 34.13 31.13 1xwe s GLU 1520CO 0.61 0.50 0.00 1.28 -1.33 0.00 0.00 175.26 176.32 1xwe n LEU 1521N 1.51 -0.14 -4.56 1.83 7.99 -1.26 -4.86 117.00 117.51 1xwe n LEU 1521Ca -0.17 0.23 -0.38 0.00 -0.01 0.00 0.00 56.01 55.68 1xwe n LEU 1521Cb 0.52 -2.64 -0.03 0.00 -0.11 0.00 0.00 43.42 41.17 1xwe n LEU 1521CO 0.24 -1.03 1.84 -0.62 -1.51 0.00 0.00 177.39 176.31 1xwe s ASP 1522N -2.32 4.86 -0.13 -1.43 2.15 -1.26 -4.81 116.67 113.73 1xwe s ASP 1522Ca 0.00 0.89 0.02 0.00 0.43 0.00 0.00 52.55 53.89 1xwe s ASP 1522Cb 0.00 -2.51 0.21 0.00 -0.30 0.00 0.00 42.92 40.31 1xwe s ASP 1522CO 0.00 -2.59 1.24 0.18 -0.17 0.00 0.00 175.17 173.82 1xwe n LEU 1523N 14.28 3.96 -0.21 -1.34 4.77 -1.26 -3.64 117.00 133.57 1xwe n LEU 1523Ca 0.30 -2.04 0.02 0.00 -0.03 0.00 0.00 56.01 54.25 1xwe n LEU 1523Cb 0.53 -0.60 0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1xwe n LEU 1523CO 0.71 0.63 0.53 0.35 -1.33 0.00 0.00 177.39 178.28 1xwe n THR 1524N 0.02 0.94 -4.17 -5.08 -2.24 -1.26 -5.00 114.28 97.49 1xwe n THR 1524Ca 0.17 -0.97 -0.35 0.00 -2.27 0.00 0.00 64.05 60.62 1xwe n THR 1524Cb 0.82 0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.96 4.72 0.55 2.28 1.01 -1.24 -5.11 121.20 122.45 1xwe s ILE 1525Ca 0.07 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.58 1xwe s ILE 1525Cb 0.04 -3.04 0.12 0.00 0.01 0.00 0.00 42.46 39.59 1xwe s ILE 1525CO 0.05 0.58 0.74 -1.20 0.00 0.00 0.00 174.94 175.11 1xwe n SER 1526N 2.41 0.35 0.01 3.58 7.64 -1.26 -5.02 113.62 121.33 1xwe n SER 1526Ca -0.19 -1.45 -0.11 0.00 1.01 0.00 0.00 58.87 58.13 1xwe n SER 1526Cb 0.54 -0.54 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.38 0.58 0.00 -0.43 0.00 -2.00 -3.35 119.26 112.68 1xwe h ALA 1527Ca -0.24 -1.31 -0.12 0.00 0.00 0.00 0.00 54.91 53.23 1xwe h ALA 1527Cb 0.74 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1xwe h ALA 1527CO 0.20 1.42 -0.86 0.93 0.00 0.00 0.00 179.25 180.94 1xwe h GLU 1528N 0.02 0.00 -0.40 0.00 4.39 -1.97 -3.03 114.58 113.59 1xwe h GLU 1528Ca -0.26 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1xwe h GLU 1528Cb 1.98 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 1xwe h GLU 1528CO 0.10 0.39 0.16 1.15 -1.16 0.00 0.00 179.01 179.65 1xwe h THR 1529N 0.00 1.15 -0.16 1.13 2.02 -1.96 -0.64 112.91 114.44 1xwe h THR 1529Ca -0.06 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1xwe h THR 1529Cb 1.43 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1xwe h THR 1529CO 0.05 0.19 0.00 -2.11 0.37 0.00 0.00 175.52 174.02 1xwe n ARG 1530N -4.38 2.16 -0.10 6.66 1.85 -1.25 -4.34 116.66 117.26 1xwe n ARG 1530Ca 0.03 -1.95 -0.16 0.00 -1.00 0.00 0.00 57.85 54.76 1xwe n ARG 1530Cb 0.14 -1.44 -0.13 0.00 -1.05 0.00 0.00 32.46 29.99 1xwe n ARG 1530CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1xwe n LYS 1531N 1.27 0.67 0.06 2.89 3.00 -0.76 -4.25 118.16 121.04 1xwe n LYS 1531Ca 0.15 0.14 0.20 0.00 -0.00 0.00 0.00 58.31 58.79 1xwe n LYS 1531Cb 0.55 -1.56 0.74 0.00 0.00 0.00 0.00 35.03 34.76 1xwe n LYS 1531CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1xwe h GLN 1532N 0.01 0.00 -0.50 1.64 4.20 -1.34 0.78 115.11 119.90 1xwe h GLN 1532Ca -0.54 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.08 1xwe h GLN 1532Cb 2.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.77 1xwe h GLN 1532CO -0.03 0.00 -0.04 1.15 -0.67 0.00 0.00 178.83 179.24 1xwe h THR 1533N 0.00 1.27 0.00 -0.54 2.02 -1.80 -2.19 112.91 111.66 1xwe h THR 1533Ca 0.21 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1xwe h THR 1533Cb 0.98 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1xwe h THR 1533CO -0.00 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.29 1xwe n ALA 1534N -2.46 1.50 0.77 6.16 0.00 0.26 -1.52 120.51 125.21 1xwe n ALA 1534Ca 0.01 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1xwe n ALA 1534Cb 0.35 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 1xwe n ALA 1534CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwe s LYS 1536N -2.32 3.49 0.40 0.00 1.02 -0.57 -4.95 119.74 116.81 1xwe s LYS 1536Ca 0.09 1.49 0.19 0.00 0.02 0.00 0.00 55.97 57.76 1xwe s LYS 1536Cb 0.13 -2.04 0.86 0.00 -0.52 0.00 0.00 37.83 36.26 1xwe s LYS 1536CO 0.57 -0.72 1.84 -1.00 -0.92 0.00 0.00 175.35 175.13 1xwe h PRO 1537N 1.23 0.00 0.00 -1.68 0.13 -1.93 -2.42 132.00 127.33 1xwe h PRO 1537Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xwe h PRO 1537Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xwe h PRO 1537CO 0.58 0.32 0.00 -0.85 -0.23 0.00 0.00 178.00 177.82 1xwe n GLU 1538N -3.75 0.11 -4.21 0.86 0.28 -1.26 -4.74 120.64 107.93 1xwe n GLU 1538Ca -0.01 0.27 -0.27 0.00 -0.16 0.00 0.00 57.16 56.98 1xwe n GLU 1538Cb 0.42 -1.68 -0.08 0.00 1.43 0.00 0.00 31.44 31.52 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xwe s ILE 1539N -3.13 3.62 0.07 3.84 -1.09 -0.91 -2.80 121.20 120.80 1xwe s ILE 1539Ca 0.08 -1.40 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 1xwe s ILE 1539Cb 0.11 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.20 1xwe s ILE 1539CO 0.40 -0.06 0.00 0.00 -1.23 0.00 0.00 174.94 174.05 1xwe n ALA 1540N 0.07 3.00 -2.85 9.38 0.00 0.15 -4.70 120.51 125.56 1xwe n ALA 1540Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1xwe n ALA 1540Cb 0.54 0.06 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.39 3.48 -0.29 0.00 -0.85 -0.59 -4.70 117.35 113.02 1xwe s TYR 1541Ca 0.00 0.19 0.01 0.00 -0.52 0.00 0.00 57.07 56.75 1xwe s TYR 1541Cb 0.00 -1.74 0.15 0.00 0.38 0.00 0.00 41.96 40.75 1xwe s TYR 1541CO 0.00 0.39 0.37 0.00 -1.52 0.00 0.00 175.55 174.79 1xwe s ALA 1542N -1.93 -0.94 0.28 9.51 0.00 -0.92 -2.11 121.76 125.66 1xwe s ALA 1542Ca 0.36 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 1xwe s ALA 1542Cb -0.10 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1xwe s ALA 1542CO 0.30 -1.72 0.34 1.52 0.00 0.00 0.00 175.76 176.20 1xwe s TYR 1543N 2.48 1.10 -0.05 0.00 -0.85 -0.87 -0.35 117.35 118.82 1xwe s TYR 1543Ca 0.10 -1.29 0.04 0.00 -0.52 0.00 0.00 57.07 55.40 1xwe s TYR 1543Cb -0.13 -0.29 -0.02 0.00 0.38 0.00 0.00 41.96 41.89 1xwe s TYR 1543CO -0.31 -0.92 -0.16 -1.59 -1.52 0.00 0.00 175.55 171.05 1xwe s LYS 1544N -3.61 2.52 0.32 -3.49 -2.85 -0.93 -1.88 119.74 109.82 1xwe s LYS 1544Ca 0.33 -0.73 0.07 0.00 -1.00 0.00 0.00 55.97 54.65 1xwe s LYS 1544Cb 0.02 -2.35 -0.03 0.00 -2.06 0.00 0.00 37.83 33.42 1xwe s LYS 1544CO 0.17 0.58 0.25 1.33 0.10 0.00 0.00 175.35 177.79 1xwe n VAL 1545N 2.42 0.00 -3.69 1.79 0.24 -0.74 -0.64 118.33 117.72 1xwe n VAL 1545Ca -0.17 -2.31 -0.15 0.00 -2.04 0.00 0.00 64.34 59.66 1xwe n VAL 1545Cb 0.52 1.12 -0.15 0.00 -1.47 0.00 0.00 33.84 33.86 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 -3.24 0.45 0.40 -1.34 0.15 -0.73 -1.46 113.70 107.93 1xwe s SER 1546Ca 0.36 0.38 -0.27 0.00 0.70 0.00 0.00 55.95 57.11 1xwe s SER 1546Cb 0.02 0.33 -0.10 0.00 -1.71 0.00 0.00 66.02 64.56 1xwe s SER 1546CO 0.25 -0.22 1.43 -0.63 1.20 0.00 0.00 173.24 175.27 1xwe s ILE 1547N 2.02 2.18 0.00 6.45 -1.09 -0.47 -2.16 121.20 128.13 1xwe s ILE 1547Ca -0.00 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 1xwe s ILE 1547Cb -0.12 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1xwe s ILE 1547CO -0.06 0.04 0.00 0.35 -1.23 0.00 0.00 174.94 174.03 1xwe n THR 1548N 0.26 0.00 -4.23 2.92 -2.24 -1.13 -1.24 114.28 108.61 1xwe n THR 1548Ca 0.02 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.64 1xwe n THR 1548Cb 0.41 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.14 1.89 -0.13 3.42 0.15 -0.61 -4.76 113.70 111.52 1xwe s SER 1549Ca 0.00 -0.84 -0.04 0.00 0.70 0.00 0.00 55.95 55.77 1xwe s SER 1549Cb 0.00 -0.05 0.06 0.00 -1.71 0.00 0.00 66.02 64.32 1xwe s SER 1549CO 0.00 -0.19 0.16 -0.63 1.20 0.00 0.00 173.24 173.78 1xwe s ILE 1550N -2.36 -0.25 -0.16 6.45 1.01 -1.26 -2.28 121.20 122.36 1xwe s ILE 1550Ca 0.10 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1xwe s ILE 1550Cb -0.04 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1xwe s ILE 1550CO 0.02 -0.02 -0.17 -0.89 0.00 0.00 0.00 174.94 173.87 1xwe s THR 1551N 2.27 2.43 -0.01 2.92 2.01 -0.85 -5.03 115.64 119.38 1xwe s THR 1551Ca 0.04 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1xwe s THR 1551Cb -0.14 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.36 1xwe s THR 1551CO -0.08 0.52 -0.04 0.54 -0.69 0.00 0.00 174.62 174.87 1xwe s VAL 1552N 0.91 0.37 0.00 3.82 0.11 -1.26 -0.99 120.40 123.35 1xwe s VAL 1552Ca -0.04 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1xwe s VAL 1552Cb -0.15 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1xwe s VAL 1552CO -0.02 0.13 0.00 -0.62 -3.33 0.00 0.00 175.10 171.25 1xwe n GLU 1553N 3.29 0.00 0.00 1.54 -0.58 -1.24 -5.05 120.64 118.60 1xwe n GLU 1553Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 1xwe n GLU 1553Cb 0.56 -0.35 0.00 0.00 -0.57 0.00 0.00 31.44 31.08 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xwe n ASN 1554N -2.27 0.00 -0.13 1.62 4.13 -1.26 -5.03 115.26 112.33 1xwe n ASN 1554Ca 0.00 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 1xwe n ASN 1554Cb 0.00 0.07 -0.09 0.00 -1.54 0.00 0.00 39.78 38.22 1xwe n ASN 1554CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1xwe n VAL 1555N -2.09 1.52 -2.84 2.41 0.24 -1.26 -4.94 118.33 111.38 1xwe n VAL 1555Ca 0.00 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.34 61.62 1xwe n VAL 1555Cb 0.00 -1.98 -0.04 0.00 -1.47 0.00 0.00 33.84 30.36 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xwe s PHE 1556N -2.57 3.64 0.13 6.34 0.08 -1.26 -2.68 117.98 121.65 1xwe s PHE 1556Ca -0.37 1.54 0.08 0.00 0.12 0.00 0.00 56.93 58.30 1xwe s PHE 1556Cb 0.13 -3.00 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 1xwe s PHE 1556CO 0.48 0.04 -0.11 0.08 -0.10 0.00 0.00 175.22 175.61 1xwe s VAL 1557N 0.87 3.25 -0.21 -0.44 1.01 -0.91 -3.69 120.40 120.29 1xwe s VAL 1557Ca 0.46 -1.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1xwe s VAL 1557Cb -0.20 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.71 1xwe s VAL 1557CO 0.24 0.05 0.08 -0.54 0.00 0.00 0.00 175.10 174.92 1xwe s LYS 1558N -2.38 0.37 0.10 2.72 1.02 -0.16 -1.11 119.74 120.30 1xwe s LYS 1558Ca 0.22 -0.37 -0.09 0.00 0.02 0.00 0.00 55.97 55.74 1xwe s LYS 1558Cb -0.10 -1.85 -0.06 0.00 -0.52 0.00 0.00 37.83 35.30 1xwe s LYS 1558CO 0.14 -0.74 0.42 0.71 -0.92 0.00 0.00 175.35 174.95 1xwe s TYR 1559N 1.98 3.56 -0.05 3.18 2.02 -0.20 -2.00 117.35 125.84 1xwe s TYR 1559Ca 0.03 0.78 0.03 0.00 -0.37 0.00 0.00 57.07 57.53 1xwe s TYR 1559Cb -0.17 -2.16 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 1xwe s TYR 1559CO -0.14 0.48 -0.13 0.15 -1.57 0.00 0.00 175.55 174.34 1xwe s LYS 1560N -2.08 1.53 0.25 -0.62 1.02 -0.97 -0.73 119.74 118.14 1xwe s LYS 1560Ca 0.35 -0.44 -0.00 0.00 0.02 0.00 0.00 55.97 55.90 1xwe s LYS 1560Cb -0.14 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.83 1xwe s LYS 1560CO 0.19 0.11 0.23 0.00 -0.92 0.00 0.00 175.35 174.97 1xwe s ALA 1561N 0.36 1.18 -0.11 5.17 0.00 -0.96 -1.58 121.76 125.81 1xwe s ALA 1561Ca -0.08 -1.70 -0.01 0.00 0.00 0.00 0.00 51.96 50.16 1xwe s ALA 1561Cb -0.13 1.36 -0.03 0.00 0.00 0.00 0.00 23.12 24.33 1xwe s ALA 1561CO 0.02 -0.65 -0.06 0.99 0.00 0.00 0.00 175.76 176.06 1xwe s THR 1562N -3.87 3.74 -0.09 0.00 2.01 -0.92 -2.86 115.64 113.65 1xwe s THR 1562Ca 0.37 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1xwe s THR 1562Cb 0.04 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 1xwe s THR 1562CO 0.16 0.54 1.36 -0.22 -0.69 0.00 0.00 174.62 175.77 1xwe s LEU 1563N -0.16 4.26 -0.02 4.42 2.96 -0.80 -1.77 118.68 127.57 1xwe s LEU 1563Ca 0.02 1.91 -0.18 0.00 -0.22 0.00 0.00 54.13 55.67 1xwe s LEU 1563Cb -0.13 -3.55 -0.33 0.00 0.50 0.00 0.00 46.19 42.68 1xwe s LEU 1563CO 0.03 -0.75 0.88 -0.07 -1.32 0.00 0.00 176.35 175.12 1xwe h LEU 1564N 9.23 0.65 -7.00 -0.68 4.07 -1.20 0.43 115.31 120.81 1xwe h LEU 1564Ca -0.33 -0.93 0.10 0.00 0.08 0.00 0.00 57.88 56.80 1xwe h LEU 1564Cb 1.14 -0.21 -0.19 0.00 1.08 0.00 0.00 40.66 42.48 1xwe h LEU 1564CO 0.94 1.60 0.52 -0.62 -1.08 0.00 0.00 178.44 179.80 1xwe s ASP 1565N -7.29 -0.37 -0.22 -0.43 -1.08 -0.99 -4.23 116.67 102.06 1xwe s ASP 1565Ca -0.12 0.21 -0.08 0.00 -0.52 0.00 0.00 52.55 52.04 1xwe s ASP 1565Cb 0.03 0.34 -0.04 0.00 -1.46 0.00 0.00 42.92 41.79 1xwe s ASP 1565CO 0.88 -0.48 0.09 -0.63 0.52 0.00 0.00 175.17 175.55 1xwe s ILE 1566N -2.10 4.78 -0.04 4.11 -1.09 -1.26 -2.19 121.20 123.41 1xwe s ILE 1566Ca 0.01 -0.03 0.15 0.00 -2.23 0.00 0.00 60.65 58.56 1xwe s ILE 1566Cb -0.01 -3.20 -0.23 0.00 -1.58 0.00 0.00 42.46 37.45 1xwe s ILE 1566CO -0.03 0.39 0.29 -1.22 -1.23 0.00 0.00 174.94 173.13 1xwe n TYR 1567N 4.18 0.00 -3.62 3.97 4.02 -0.60 -4.93 117.16 120.17 1xwe n TYR 1567Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.64 1xwe n TYR 1567Cb 0.52 -0.40 -0.10 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.94 0.30 0.60 -0.72 2.36 0.53 -4.40 119.74 115.47 1xwe s LYS 1568Ca -0.06 0.93 -0.18 0.00 -2.55 0.00 0.00 55.97 54.12 1xwe s LYS 1568Cb 0.09 0.18 -0.10 0.00 -1.05 0.00 0.00 37.83 36.95 1xwe s LYS 1568CO 0.62 -0.30 0.27 2.41 1.55 0.00 0.00 175.35 179.90 1xwe n THR 1569N 5.38 1.40 1.11 3.43 -1.04 -1.26 -2.16 114.28 121.15 1xwe n THR 1569Ca -0.08 -0.48 0.12 0.00 -2.04 0.00 0.00 64.05 61.57 1xwe n THR 1569Cb 0.50 -0.46 0.17 0.00 -1.82 0.00 0.00 70.33 68.71 1xwe n THR 1569CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwe n GLY 1570N 2.05 -0.27 4.59 3.41 0.00 -1.26 -3.75 105.19 109.96 1xwe n GLY 1570Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1xwe n GLY 1570CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwe n GLU 1571N -0.32 0.00 -1.29 1.61 1.02 -1.26 -4.65 120.64 115.74 1xwe n GLU 1571Ca 0.10 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.03 1xwe n GLU 1571Cb 0.41 -0.08 -0.07 0.00 -0.02 0.00 0.00 31.44 31.68 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwe n ALA 1572N 0.00 6.25 -2.77 0.62 0.00 -1.26 -4.78 120.51 118.57 1xwe n ALA 1572Ca 0.00 -2.55 -0.06 0.00 0.00 0.00 0.00 53.44 50.83 1xwe n ALA 1572Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 19.45 17.37 1xwe n ALA 1572CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1xwe n VAL 1573N 1.22-11.10 -4.98 0.00 0.31 -1.26 -5.03 118.33 97.48 1xwe n VAL 1573Ca 0.44 1.13 -0.32 0.00 -0.01 0.00 0.00 64.34 65.58 1xwe n VAL 1573Cb 0.64 -7.12 -0.16 0.00 -0.91 0.00 0.00 33.84 26.29 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xwe s ALA 1574N -2.29 2.37 -0.07 3.52 0.00 -1.26 -4.94 121.76 119.08 1xwe s ALA 1574Ca 0.18 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 1xwe s ALA 1574Cb -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1xwe s ALA 1574CO 0.75 0.24 0.19 -1.21 0.00 0.00 0.00 175.76 175.74 1xwe s GLU 1575N 0.39 0.21 0.35 0.00 2.02 -1.26 -4.61 118.70 115.80 1xwe s GLU 1575Ca -0.15 0.29 -0.25 0.00 0.02 0.00 0.00 54.97 54.88 1xwe s GLU 1575Cb -0.17 0.07 -0.13 0.00 0.10 0.00 0.00 34.13 34.00 1xwe s GLU 1575CO 0.07 -0.05 0.78 0.36 0.02 0.00 0.00 175.26 176.44 1xwe n LYS 1576N 3.17 0.89 -2.30 1.61 2.85 -1.26 -2.12 118.16 121.00 1xwe n LYS 1576Ca -0.15 0.32 -0.09 0.00 -1.05 0.00 0.00 58.31 57.34 1xwe n LYS 1576Cb 0.58 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1xwe n ASP 1577N 1.22 -3.26 -2.32 -5.58 2.03 0.14 -4.95 116.55 103.83 1xwe n ASP 1577Ca 0.11 -0.04 -0.03 0.00 0.52 0.00 0.00 54.79 55.35 1xwe n ASP 1577Cb 0.35 -2.43 0.01 0.00 -0.72 0.00 0.00 41.12 38.33 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 0.16 0.17 -4.61 1.67 7.64 -0.90 -4.75 113.62 112.99 1xwe n SER 1578Ca -0.09 -1.14 -0.33 0.00 1.01 0.00 0.00 58.87 58.32 1xwe n SER 1578Cb 0.57 -0.08 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 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 -2.69 2.69 0.01 1.43 2.12 -1.26 -1.91 118.70 119.08 1xwe s GLU 1579Ca 0.08 -0.62 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 1xwe s GLU 1579Cb -0.00 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 1xwe s GLU 1579CO 0.05 0.64 0.02 0.96 -0.54 0.00 0.00 175.26 176.38 1xwe s ILE 1580N -0.94 0.10 -0.25 -3.70 -4.36 -1.13 -4.94 121.20 105.97 1xwe s ILE 1580Ca 0.16 -0.80 -0.04 0.00 -0.26 0.00 0.00 60.65 59.70 1xwe s ILE 1580Cb -0.11 -0.29 0.09 0.00 1.25 0.00 0.00 42.46 43.40 1xwe s ILE 1580CO 0.05 -0.44 0.13 -0.89 0.24 0.00 0.00 174.94 174.04 1xwe s THR 1581N -1.35 -0.11 -0.44 8.37 2.01 -1.26 -2.28 115.64 120.58 1xwe s THR 1581Ca -0.15 -0.53 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 1xwe s THR 1581Cb -0.09 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.61 1xwe s THR 1581CO -0.00 -0.55 0.51 -0.36 -0.69 0.00 0.00 174.62 173.52 1xwe s PHE 1582N 2.14 3.13 -0.05 4.92 0.08 0.09 -1.44 117.98 126.86 1xwe s PHE 1582Ca 0.07 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.74 1xwe s PHE 1582Cb -0.16 -3.08 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 1xwe s PHE 1582CO -0.27 -0.78 0.16 0.96 -0.10 0.00 0.00 175.22 175.19 1xwe s ILE 1583N 2.33 5.41 0.37 0.64 -4.36 -0.84 -1.03 121.20 123.73 1xwe s ILE 1583Ca 0.15 -0.05 0.04 0.00 -0.26 0.00 0.00 60.65 60.52 1xwe s ILE 1583Cb -0.17 -3.46 -0.04 0.00 1.25 0.00 0.00 42.46 40.04 1xwe s ILE 1583CO 0.14 0.43 0.10 -1.59 0.24 0.00 0.00 174.94 174.26 1xwe s LYS 1584N -1.62 1.81 0.34 0.37 -2.85 -0.26 -2.93 119.74 114.59 1xwe s LYS 1584Ca 0.23 -2.07 0.04 0.00 -1.00 0.00 0.00 55.97 53.16 1xwe s LYS 1584Cb -0.12 -0.67 0.06 0.00 -2.06 0.00 0.00 37.83 35.04 1xwe s LYS 1584CO 0.13 -0.38 0.46 1.63 0.10 0.00 0.00 175.35 177.30 1xwe n LYS 1585N -0.82 0.63 0.05 1.78 4.01 -1.26 -2.13 118.16 120.42 1xwe n LYS 1585Ca -0.05 -1.63 -0.04 0.00 -0.51 0.00 0.00 58.31 56.09 1xwe n LYS 1585Cb 0.66 -0.19 -0.09 0.00 -0.51 0.00 0.00 35.03 34.90 1xwe n LYS 1585CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1xwe h VAL 1586N -0.10 1.02 -0.09 -0.18 3.04 -1.90 -3.27 116.25 114.77 1xwe h VAL 1586Ca -0.16 -2.64 0.00 0.00 -1.01 0.00 0.00 66.70 62.89 1xwe h VAL 1586Cb 0.67 2.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1xwe h VAL 1586CO 0.20 0.58 0.00 0.35 -1.01 0.00 0.00 177.57 177.70 1xwe n THR 1587N -3.13 0.12 0.00 3.17 -2.24 -1.26 -4.50 114.28 106.43 1xwe n THR 1587Ca -0.06 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1xwe n THR 1587Cb 0.90 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n THR 1589N 0.00 0.00 0.12 0.00 -1.04 -1.26 -4.60 114.28 107.50 1xwe n THR 1589Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xwe n THR 1589Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 1xwe n THR 1589CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1xwe h ASN 1590N 0.00 0.00 -3.52 8.00 4.21 -1.87 -3.41 115.58 119.00 1xwe h ASN 1590Ca 0.00 0.00 -0.69 0.00 1.21 0.00 0.00 56.30 56.82 1xwe h ASN 1590Cb 0.00 0.00 -0.34 0.00 -1.12 0.00 0.00 38.32 36.86 1xwe h ASN 1590CO 0.00 0.63 -0.56 0.00 -1.29 0.00 0.00 177.43 176.21 1xwe s ALA 1591N -2.94 3.12 -0.23 -0.83 0.00 -1.26 -4.28 121.76 115.35 1xwe s ALA 1591Ca 0.03 -2.44 0.01 0.00 0.00 0.00 0.00 51.96 49.56 1xwe s ALA 1591Cb 0.08 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.90 1xwe s ALA 1591CO 0.76 -1.74 -0.05 -1.83 0.00 0.00 0.00 175.76 172.91 1xwe s GLU 1592N 1.16 1.59 -0.22 0.00 -1.05 -1.26 -4.92 118.70 114.00 1xwe s GLU 1592Ca 0.07 -0.98 -0.29 0.00 -0.15 0.00 0.00 54.97 53.61 1xwe s GLU 1592Cb -0.22 -2.58 0.01 0.00 -0.44 0.00 0.00 34.13 30.90 1xwe s GLU 1592CO -0.04 -0.61 1.04 -0.51 0.95 0.00 0.00 175.26 176.10 1xwe s LEU 1593N 1.41 4.11 -0.09 1.83 1.43 -1.26 -5.01 118.68 121.10 1xwe s LEU 1593Ca -0.05 1.40 -0.26 0.00 -1.03 0.00 0.00 54.13 54.19 1xwe s LEU 1593Cb -0.19 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1xwe s LEU 1593CO -0.06 -0.65 0.81 -0.69 0.23 0.00 0.00 176.35 175.99 1xwe s VAL 1594N 3.10 4.95 0.37 -1.59 1.01 -1.26 -5.03 120.40 121.95 1xwe s VAL 1594Ca 0.45 1.66 -0.27 0.00 0.00 0.00 0.00 61.98 63.82 1xwe s VAL 1594Cb -0.15 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.99 1xwe s VAL 1594CO 0.07 0.15 1.27 -0.75 0.00 0.00 0.00 175.10 175.84 1xwe s LYS 1595N 1.32 4.14 -0.66 2.72 2.20 -1.26 -3.21 119.74 124.99 1xwe s LYS 1595Ca 0.41 2.09 -0.02 0.00 -0.36 0.00 0.00 55.97 58.09 1xwe s LYS 1595Cb -0.18 -2.86 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1xwe s LYS 1595CO 0.18 -0.32 0.32 0.41 -0.36 0.00 0.00 175.35 175.58 1xwe n GLY 1596N 0.73 0.19 3.07 5.54 0.00 -0.38 -4.98 105.19 109.38 1xwe n GLY 1596Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -5.15 0.51 -0.12 1.61 3.52 -1.20 -4.98 118.95 113.13 1xwe s ARG 1597Ca 0.16 -0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 54.92 1xwe s ARG 1597Cb -0.07 0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.47 1xwe s ARG 1597CO 0.20 -0.11 0.20 -0.65 -0.81 0.00 0.00 175.30 174.12 1xwe s GLN 1598N -2.34 3.78 0.06 5.12 -0.21 -1.26 -1.37 119.66 123.44 1xwe s GLN 1598Ca -0.07 -0.04 -0.00 0.00 0.02 0.00 0.00 55.36 55.27 1xwe s GLN 1598Cb -0.03 -3.27 -0.04 0.00 1.00 0.00 0.00 33.01 30.67 1xwe s GLN 1598CO -0.04 0.59 -0.04 0.71 -2.12 0.00 0.00 175.29 174.40 1xwe s TYR 1599N -0.54 0.61 -0.20 0.91 2.02 -0.54 -2.04 117.35 117.57 1xwe s TYR 1599Ca 0.15 -0.99 -0.05 0.00 -0.37 0.00 0.00 57.07 55.81 1xwe s TYR 1599Cb -0.13 -0.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 1xwe s TYR 1599CO 0.04 -0.30 -0.00 -1.17 -1.57 0.00 0.00 175.55 172.54 1xwe s LEU 1600N -2.87 3.23 -0.14 -1.29 2.96 -0.07 -1.80 118.68 118.71 1xwe s LEU 1600Ca 0.07 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.76 1xwe s LEU 1600Cb 0.06 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 1xwe s LEU 1600CO -0.08 0.06 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.26 1xwe s ILE 1601N 1.03 3.08 -0.17 6.68 1.09 -0.79 -1.89 121.20 130.23 1xwe s ILE 1601Ca 0.02 -0.65 -0.04 0.00 -1.10 0.00 0.00 60.65 58.88 1xwe s ILE 1601Cb -0.14 -2.30 0.07 0.00 -1.06 0.00 0.00 42.46 39.02 1xwe s ILE 1601CO 0.01 0.52 0.15 -0.04 -0.10 0.00 0.00 174.94 175.48 1xwe s MET 1602N 0.43 0.10 0.21 2.79 -1.94 -0.70 -2.04 119.30 118.15 1xwe s MET 1602Ca -0.09 0.11 -0.21 0.00 -1.71 0.00 0.00 55.69 53.79 1xwe s MET 1602Cb -0.16 -1.38 0.07 0.00 2.01 0.00 0.00 34.83 35.38 1xwe s MET 1602CO 0.05 -0.61 1.01 0.20 -0.01 0.00 0.00 175.02 175.65 1xwe s GLY 1603N 2.23 0.14 0.82 -0.03 0.00 -0.90 -0.75 107.32 108.82 1xwe s GLY 1603Ca 0.04 -0.38 -0.14 0.00 0.00 0.00 0.00 44.72 44.25 1xwe s GLY 1603CO -0.10 2.08 0.90 1.17 0.00 0.00 0.00 173.10 177.16 1xwe n LYS 1604N -0.68 0.11 -1.49 2.90 0.00 -1.12 -0.67 118.16 117.21 1xwe n LYS 1604Ca -0.04 0.10 -0.37 0.00 0.00 0.00 0.00 58.31 58.01 1xwe n LYS 1604Cb 0.59 -2.19 0.06 0.00 0.00 0.00 0.00 35.03 33.49 1xwe n LYS 1604CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1xwe n GLU 1605N -2.43 0.63 -2.36 1.64 2.13 -1.26 -4.62 120.64 114.36 1xwe n GLU 1605Ca 0.12 0.25 -0.37 0.00 0.66 0.00 0.00 57.16 57.82 1xwe n GLU 1605Cb 0.51 -1.99 -0.02 0.00 0.27 0.00 0.00 31.44 30.21 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xwe s ALA 1606N -1.68 3.00 0.13 4.31 0.00 -1.26 -4.98 121.76 121.29 1xwe s ALA 1606Ca 0.72 0.84 -0.31 0.00 0.00 0.00 0.00 51.96 53.22 1xwe s ALA 1606Cb -0.40 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 1xwe s ALA 1606CO 0.51 -0.50 1.38 -0.51 0.00 0.00 0.00 175.76 176.64 1xwe s LEU 1607N -2.93 4.38 0.00 0.00 1.43 -1.20 -4.89 118.68 115.47 1xwe s LEU 1607Ca 0.62 2.35 0.29 0.00 -1.03 0.00 0.00 54.13 56.37 1xwe s LEU 1607Cb -0.26 -3.59 1.34 0.00 0.03 0.00 0.00 46.19 43.71 1xwe s LEU 1607CO 0.32 -0.64 1.97 0.00 0.23 0.00 0.00 176.35 178.23 1xwe n GLN 1608N 3.68 0.21 -3.86 1.70 10.64 -1.26 -2.96 117.38 125.53 1xwe n GLN 1608Ca 0.10 -0.01 -0.34 0.00 -1.83 0.00 0.00 57.00 54.93 1xwe n GLN 1608Cb 0.42 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.18 1xwe n GLN 1608CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1xwe s ILE 1609N -2.80 2.99 0.53 -0.39 -4.36 -1.16 -2.40 121.20 113.61 1xwe s ILE 1609Ca 0.21 -2.52 0.42 0.00 -0.26 0.00 0.00 60.65 58.50 1xwe s ILE 1609Cb 0.20 -3.06 0.43 0.00 1.25 0.00 0.00 42.46 41.28 1xwe s ILE 1609CO 0.50 -0.72 2.28 0.50 0.24 0.00 0.00 174.94 177.74 1xwe h LYS 1610N 7.48 0.00 -2.30 0.37 3.64 -1.50 -3.44 116.57 120.82 1xwe h LYS 1610Ca -0.07 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1xwe h LYS 1610Cb 1.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1xwe h LYS 1610CO 0.65 0.00 -0.09 2.48 -2.27 0.00 0.00 179.45 180.23 1xwe n TYR 1611N -3.07 -0.97 -0.12 1.91 0.18 -1.26 -4.68 117.16 109.14 1xwe n TYR 1611Ca -0.02 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.60 1xwe n TYR 1611Cb 0.12 -1.54 -0.12 0.00 -0.38 0.00 0.00 39.34 37.43 1xwe n TYR 1611CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1xwe n ASN 1612N 0.12 1.88 0.00 9.48 4.13 -1.26 -4.91 115.26 124.70 1xwe n ASN 1612Ca -0.04 -0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1xwe n ASN 1612Cb 0.21 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.27 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 -3.13 0.00 -3.61 5.41 0.00 -1.26 -5.14 120.51 112.78 1xwe n ALA 1613Ca -0.41 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1xwe n ALA 1613Cb 0.98 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.36 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe s SER 1614N -0.07 -0.42 -0.66 0.00 0.15 -1.26 -5.09 113.70 106.34 1xwe s SER 1614Ca 0.00 0.66 -0.28 0.00 0.70 0.00 0.00 55.95 57.04 1xwe s SER 1614Cb 0.00 0.62 -0.12 0.00 -1.71 0.00 0.00 66.02 64.81 1xwe s SER 1614CO 0.00 -0.24 2.51 0.49 1.20 0.00 0.00 173.24 177.20 1xwe n PHE 1615N 1.55 1.14 -4.42 3.44 3.72 -1.26 -3.83 117.46 117.79 1xwe n PHE 1615Ca -0.12 0.20 -0.21 0.00 -0.05 0.00 0.00 57.45 57.27 1xwe n PHE 1615Cb 0.57 -2.54 -0.10 0.00 -0.94 0.00 0.00 39.48 36.46 1xwe n PHE 1615CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xwe s ARG 1616N 8.53 1.53 -0.82 -1.08 1.81 -1.01 -4.73 118.95 123.18 1xwe s ARG 1616Ca 1.10 -1.74 -0.15 0.00 -1.72 0.00 0.00 55.73 53.23 1xwe s ARG 1616Cb -0.53 -1.29 0.20 0.00 -0.45 0.00 0.00 34.95 32.89 1xwe s ARG 1616CO 0.33 0.13 0.79 0.71 -0.68 0.00 0.00 175.30 176.59 1xwe s TYR 1617N -2.89 3.67 0.12 -0.53 1.51 -1.25 -1.99 117.35 115.99 1xwe s TYR 1617Ca 0.28 -1.89 0.04 0.00 -1.01 0.00 0.00 57.07 54.49 1xwe s TYR 1617Cb 0.01 -3.87 -0.04 0.00 -0.11 0.00 0.00 41.96 37.95 1xwe s TYR 1617CO 0.11 -1.05 0.09 0.96 -1.11 0.00 0.00 175.55 174.55 1xwe s ILE 1618N 0.52 4.40 -0.25 2.71 -5.25 -1.16 -4.88 121.20 117.30 1xwe s ILE 1618Ca 0.19 -0.97 -0.10 0.00 -0.99 0.00 0.00 60.65 58.78 1xwe s ILE 1618Cb -0.11 -3.18 -0.05 0.00 2.95 0.00 0.00 42.46 42.08 1xwe s ILE 1618CO -0.08 0.01 0.15 -0.31 -1.79 0.00 0.00 174.94 172.92 1xwe s TYR 1619N -1.56 3.25 0.59 1.37 1.51 -0.52 -3.25 117.35 118.75 1xwe s TYR 1619Ca 0.29 0.10 -0.10 0.00 -1.01 0.00 0.00 57.07 56.36 1xwe s TYR 1619Cb -0.11 -2.28 0.14 0.00 -0.11 0.00 0.00 41.96 39.60 1xwe s TYR 1619CO 0.22 -0.05 0.73 -0.35 -1.11 0.00 0.00 175.55 174.99 1xwe n PRO 1620N 4.53 -1.06 -3.26 -1.71 -0.04 -1.26 -1.99 135.00 130.22 1xwe n PRO 1620Ca -0.15 -1.14 -0.05 0.00 -0.04 0.00 0.00 63.50 62.12 1xwe n PRO 1620Cb 0.52 -0.81 -0.04 0.00 -0.04 0.00 0.00 33.50 33.13 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 -1.03 0.00 1.53 2.96 -1.15 -4.51 118.68 116.48 1xwe s LEU 1621Ca 0.42 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1xwe s LEU 1621Cb -0.02 1.41 -0.01 0.00 0.50 0.00 0.00 46.19 48.08 1xwe s LEU 1621CO 0.30 -0.30 0.15 0.47 -1.32 0.00 0.00 176.35 175.65 1xwe n ASP 1622N 5.05 -0.38 0.30 3.68 9.92 -1.26 -3.15 116.55 130.71 1xwe n ASP 1622Ca 0.05 -1.87 0.19 0.00 -0.53 0.00 0.00 54.79 52.62 1xwe n ASP 1622Cb 0.51 0.81 1.00 0.00 -0.64 0.00 0.00 41.12 42.81 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 0.84 0.00 0.52 -2.24 4.64 -0.90 0.60 113.55 117.02 1xwe h SER 1623Ca -0.10 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.12 1xwe h SER 1623Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1xwe h SER 1623CO 0.15 0.00 -0.44 0.25 -0.87 0.00 0.00 176.83 175.91 1xwe h LEU 1624N 0.00 0.00 -9.63 5.97 6.46 -1.95 -3.43 115.31 112.72 1xwe h LEU 1624Ca 0.02 0.00 -0.52 0.00 -0.12 0.00 0.00 57.88 57.26 1xwe h LEU 1624Cb 0.20 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.14 1xwe h LEU 1624CO -0.00 0.44 0.52 -0.89 -0.62 0.00 0.00 178.44 177.89 1xwe s THR 1625N -3.92 3.78 -0.47 1.05 2.01 0.20 -4.75 115.64 113.55 1xwe s THR 1625Ca -0.02 1.48 -0.16 0.00 0.31 0.00 0.00 61.69 63.30 1xwe s THR 1625Cb 0.13 -3.95 0.06 0.00 0.01 0.00 0.00 72.50 68.76 1xwe s THR 1625CO 0.73 0.23 0.42 0.86 -0.69 0.00 0.00 174.62 176.16 1xwe s TRP 1626N 0.02 3.21 -0.19 4.92 -0.11 0.07 -4.59 118.94 122.27 1xwe s TRP 1626Ca 0.52 -0.81 -0.05 0.00 1.22 0.00 0.00 56.10 56.98 1xwe s TRP 1626Cb -0.31 -3.14 -0.03 0.00 -1.50 0.00 0.00 33.47 28.50 1xwe s TRP 1626CO 0.35 -0.80 0.00 0.42 -4.62 0.00 0.00 176.95 172.30 1xwe s ILE 1627N 1.80 4.07 -0.10 5.86 -1.09 -1.25 -1.72 121.20 128.77 1xwe s ILE 1627Ca 0.06 -0.28 -0.02 0.00 -2.23 0.00 0.00 60.65 58.18 1xwe s ILE 1627Cb -0.23 -2.83 0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1xwe s ILE 1627CO 0.08 0.45 0.02 -0.70 -1.23 0.00 0.00 174.94 173.55 1xwe s GLU 1628N 0.77 0.56 0.07 2.79 2.56 -0.79 -3.04 118.70 121.61 1xwe s GLU 1628Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.97 54.64 1xwe s GLU 1628Cb -0.14 -1.23 -0.13 0.00 2.00 0.00 0.00 34.13 34.63 1xwe s GLU 1628CO 0.02 -0.39 1.70 0.98 -0.56 0.00 0.00 175.26 177.01 1xwe n TYR 1629N 5.14 2.31 -3.30 5.30 9.36 -1.26 -0.89 117.16 133.82 1xwe n TYR 1629Ca -0.07 0.15 -0.42 0.00 3.32 0.00 0.00 57.90 60.87 1xwe n TYR 1629Cb 0.49 -2.60 -0.08 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 2.12 3.17 -0.64 2.98 -0.11 -0.87 -4.75 118.94 120.84 1xwe s TRP 1630Ca 0.84 -0.15 -0.28 0.00 1.22 0.00 0.00 56.10 57.73 1xwe s TRP 1630Cb -0.67 -2.90 -0.12 0.00 -1.50 0.00 0.00 33.47 28.28 1xwe s TRP 1630CO 0.43 -0.63 2.50 -0.35 -4.62 0.00 0.00 176.95 174.27 1xwe n PRO 1631N 5.65 0.73 0.27 5.86 -0.04 -1.26 -4.56 135.00 141.66 1xwe n PRO 1631Ca -0.07 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1xwe n PRO 1631Cb 0.48 -2.79 0.76 0.00 -0.04 0.00 0.00 33.50 31.91 1xwe n PRO 1631CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1xwe h ARG 1632N 16.88 0.00 0.00 0.54 2.43 -1.94 -3.45 114.38 128.84 1xwe h ARG 1632Ca -0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1xwe h ARG 1632Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1xwe h ARG 1632CO 1.22 0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 179.47 1xwe n ASP 1633N -4.11 0.00 0.00 -3.80 8.00 -1.26 -5.13 116.55 110.25 1xwe n ASP 1633Ca -0.03 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.52 1xwe n ASP 1633Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1xwe n ASP 1633CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1xwe n THR 1634N 0.00 0.00 0.00 -3.53 -2.24 -1.26 -4.77 114.28 102.48 1xwe n THR 1634Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xwe n THR 1634Cb 0.00 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1xwe n THR 1634CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1xwe n THR 1635N -2.20 0.00 -3.87 4.28 5.66 -1.26 -4.85 114.28 112.05 1xwe n THR 1635Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1xwe n THR 1635Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -1.06 1.30 0.03 0.00 7.64 -1.26 -3.62 113.62 116.65 1xwe n SER 1637Ca 0.00 -1.33 0.11 0.00 1.01 0.00 0.00 58.87 58.67 1xwe n SER 1637Cb 0.00 0.02 0.08 0.00 -1.01 0.00 0.00 64.21 63.30 1xwe n SER 1637CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xwe n SER 1638N -0.08 0.63 -3.16 6.43 7.64 -1.26 -5.03 113.62 118.79 1xwe n SER 1638Ca 0.18 -0.14 -0.00 0.00 1.01 0.00 0.00 58.87 59.92 1xwe n SER 1638Cb 0.34 0.58 -0.00 0.00 -1.01 0.00 0.00 64.21 64.12 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 1.33 0.00 0.00 0.00 0.00 -1.26 -4.78 117.38 112.66 1xwe n GLN 1640Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 57.00 56.76 1xwe n GLN 1640Cb 0.45 -0.34 0.00 0.00 0.00 0.00 0.00 30.24 30.36 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xwe n ALA 1641N 0.00 0.00 0.35 2.61 0.00 -1.26 -3.57 120.51 118.64 1xwe n ALA 1641Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1xwe n ALA 1641Cb 0.43 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 1xwe n ALA 1641CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xwe n PHE 1642N -0.69 0.00 0.31 0.00 7.35 -1.26 -4.35 117.46 118.81 1xwe n PHE 1642Ca 0.00 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.88 1xwe n PHE 1642Cb 0.00 -0.17 0.97 0.00 0.35 0.00 0.00 39.48 40.62 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 -1.35 -2.13 3.38 -1.89 -2.11 115.31 111.21 1xwe h LEU 1643Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1xwe h LEU 1643Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1xwe h LEU 1643CO 0.00 0.02 0.27 0.00 0.09 0.00 0.00 178.44 178.82 1xwe h ALA 1644N 1.98 1.51 0.00 1.53 0.00 -1.76 -0.12 119.26 122.40 1xwe h ALA 1644Ca -0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xwe h ALA 1644Cb 0.21 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xwe h ALA 1644CO 0.00 0.41 -0.53 -0.91 0.00 0.00 0.00 179.25 178.22 1xwe h ASN 1645N 0.71 0.00 0.77 0.00 2.35 -1.69 -3.29 115.58 114.43 1xwe h ASN 1645Ca 0.18 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.73 1xwe h ASN 1645Cb 0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1xwe h ASN 1645CO -0.03 0.13 -0.95 -0.07 -1.65 0.00 0.00 177.43 174.86 1xwe h LEU 1646N 0.00 0.14 -1.21 1.61 3.38 -1.19 -3.19 115.31 114.85 1xwe h LEU 1646Ca -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1xwe h LEU 1646Cb 1.11 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1xwe h LEU 1646CO 0.01 1.01 0.19 -0.78 0.09 0.00 0.00 178.44 178.96 1xwe h ASP 1647N 0.05 0.68 0.45 -0.43 1.82 -1.12 -1.49 116.42 116.36 1xwe h ASP 1647Ca -0.04 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.50 1xwe h ASP 1647Cb 1.63 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.47 1xwe h ASP 1647CO 0.14 0.62 -0.22 -0.33 -1.61 0.00 0.00 179.24 177.84 1xwe h GLU 1648N 0.73 -0.58 -0.31 0.28 4.39 -1.67 -3.00 114.58 114.42 1xwe h GLU 1648Ca 0.18 0.04 0.09 0.00 0.34 0.00 0.00 59.36 60.00 1xwe h GLU 1648Cb 0.17 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1xwe h GLU 1648CO -0.01 -0.27 0.28 0.35 -1.16 0.00 0.00 179.01 178.19 1xwe h PHE 1649N -0.94 0.00 0.28 4.33 3.57 -1.52 -0.35 116.94 122.31 1xwe h PHE 1649Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1xwe h PHE 1649Cb 0.58 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1xwe h PHE 1649CO 0.01 0.00 -0.31 0.00 -2.23 0.00 0.00 178.31 175.78 1xwe h ALA 1650N 1.74 -0.98 -0.01 2.41 0.00 -1.12 -1.90 119.26 119.40 1xwe h ALA 1650Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xwe h ALA 1650Cb 0.70 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xwe h ALA 1650CO -0.00 -1.00 -0.04 -1.91 0.00 0.00 0.00 179.25 176.29 1xwe n GLU 1651N -4.26 1.05 0.06 0.00 4.07 -1.06 -2.72 120.64 117.78 1xwe n GLU 1651Ca -0.07 -0.35 -0.03 0.00 -0.06 0.00 0.00 57.16 56.65 1xwe n GLU 1651Cb 0.28 -1.49 -0.08 0.00 -0.06 0.00 0.00 31.44 30.09 1xwe n GLU 1651CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1xwe h ASP 1652N 0.86 0.00 0.00 4.31 1.82 -0.73 -2.94 116.42 119.75 1xwe h ASP 1652Ca 0.00 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 1xwe h ASP 1652Cb 0.28 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.25 1xwe h ASP 1652CO 0.00 0.76 -2.14 0.00 -1.61 0.00 0.00 179.24 176.25 1xwe n ILE 1653N -3.14 0.90 -0.04 2.25 3.06 -0.74 -3.68 119.36 117.97 1xwe n ILE 1653Ca -0.05 -0.68 -0.14 0.00 -2.50 0.00 0.00 62.75 59.37 1xwe n ILE 1653Cb 0.89 -0.36 -0.12 0.00 0.54 0.00 0.00 39.64 40.58 1xwe n ILE 1653CO 0.00 0.00 0.00 0.15 -2.50 0.00 0.00 176.55 174.20 1xwe h PHE 1654N 0.00 0.11 -0.04 9.51 3.04 -1.66 0.65 116.94 128.54 1xwe h PHE 1654Ca -0.36 -0.06 -0.13 0.00 3.98 0.00 0.00 57.97 61.39 1xwe h PHE 1654Cb 1.78 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.26 1xwe h PHE 1654CO 0.00 0.89 -0.59 1.25 -2.02 0.00 0.00 178.31 177.84 1xwe h LEU 1655N -0.69 0.16 0.00 0.59 5.85 -1.75 -3.39 115.31 116.07 1xwe h LEU 1655Ca -0.02 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1xwe h LEU 1655Cb 0.92 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1xwe h LEU 1655CO 0.02 0.71 0.00 0.59 -0.34 0.00 0.00 178.44 179.43 1xwe n ASN 1656N -3.87 0.00 -0.90 1.25 5.03 -1.24 -5.06 115.26 110.47 1xwe n ASN 1656Ca -0.02 0.03 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1xwe n ASN 1656Cb 0.60 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 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 2.33 0.45 3.29 7.41 0.00 0.22 -5.02 105.19 113.86 1xwe n GLY 1657Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32