#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 2.57 0.00 1.61 0.15 -1.26 -4.81 113.70 111.96 1xwe s SER 1509Ca 0.00 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.94 1xwe s SER 1509Cb 0.00 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1xwe s SER 1509CO 0.00 -0.35 0.00 1.57 1.20 0.00 0.00 173.24 175.66 1xwe n HIS 1510N 5.22 0.00 -2.78 3.44 -0.00 -1.26 -3.94 115.22 115.90 1xwe n HIS 1510Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.63 1xwe n HIS 1510Cb 0.48 -1.67 -0.01 0.00 -0.00 0.00 0.00 29.99 28.79 1xwe n HIS 1510CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1xwe n MET 1511N -0.04 -3.23 -3.65 1.57 0.00 -1.26 -5.07 117.12 105.44 1xwe n MET 1511Ca 0.00 2.61 -0.02 0.00 0.00 0.00 0.00 57.70 60.29 1xwe n MET 1511Cb 0.34 -4.53 -0.06 0.00 0.00 0.00 0.00 33.22 28.97 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 -1.26 -2.31 -0.23 3.04 0.00 -1.25 -5.12 121.76 114.62 1xwe s ALA 1512Ca -0.06 2.18 -0.04 0.00 0.00 0.00 0.00 51.96 54.03 1xwe s ALA 1512Cb 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 1xwe s ALA 1512CO 0.65 -0.34 -0.02 0.16 0.00 0.00 0.00 175.76 176.21 1xwe s ASP 1513N 1.29 4.48 0.00 0.00 -4.77 -1.26 -2.19 116.67 114.21 1xwe s ASP 1513Ca -0.09 -0.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.74 1xwe s ASP 1513Cb -0.03 -1.77 0.00 0.00 -1.09 0.00 0.00 42.92 40.03 1xwe s ASP 1513CO -0.14 -0.04 0.00 0.00 0.70 0.00 0.00 175.17 175.69 1xwe h GLY 1515N 0.00 0.00 -3.37 0.00 0.00 -1.34 -3.39 103.07 94.96 1xwe h GLY 1515Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xwe h GLY 1515CO 0.00 0.00 -0.58 -0.18 0.00 0.00 0.00 176.54 175.78 1xwe n GLN 1516N -3.84 -3.22 -2.89 4.80 7.27 -1.26 -4.75 117.38 113.49 1xwe n GLN 1516Ca 0.42 2.51 -0.41 0.00 0.07 0.00 0.00 57.00 59.59 1xwe n GLN 1516Cb 1.96 -2.84 -0.04 0.00 2.41 0.00 0.00 30.24 31.73 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 -1.34 4.50 0.69 3.69 -1.94 -0.51 -4.69 119.30 119.70 1xwe s MET 1517Ca 0.00 1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 55.01 1xwe s MET 1517Cb 0.00 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.40 1xwe s MET 1517CO 0.00 0.03 1.06 -0.65 -0.01 0.00 0.00 175.02 175.45 1xwe s GLN 1518N 0.81 2.99 0.56 2.03 -1.52 -1.25 -5.00 119.66 118.28 1xwe s GLN 1518Ca 0.44 0.94 -0.21 0.00 -1.95 0.00 0.00 55.36 54.59 1xwe s GLN 1518Cb -0.19 -2.00 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 1xwe s GLN 1518CO 0.23 -1.06 1.30 -1.21 -0.25 0.00 0.00 175.29 174.31 1xwe s GLU 1519N -5.04 3.07 0.33 2.91 2.02 -1.26 -4.75 118.70 115.99 1xwe s GLU 1519Ca 0.58 2.09 -0.26 0.00 0.02 0.00 0.00 54.97 57.40 1xwe s GLU 1519Cb -0.14 -2.15 -0.09 0.00 0.10 0.00 0.00 34.13 31.85 1xwe s GLU 1519CO 0.55 -1.20 1.01 -1.21 0.02 0.00 0.00 175.26 174.43 1xwe s GLU 1520N -3.03 4.48 -1.83 1.61 2.02 -1.26 -3.22 118.70 117.46 1xwe s GLU 1520Ca 0.74 1.51 0.00 0.00 0.02 0.00 0.00 54.97 57.24 1xwe s GLU 1520Cb -0.37 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.01 1xwe s GLU 1520CO 0.43 0.14 0.00 1.28 0.02 0.00 0.00 175.26 177.13 1xwe n LEU 1521N 0.57 -1.14 -4.55 1.80 4.77 -1.26 -4.86 117.00 112.33 1xwe n LEU 1521Ca 0.02 0.43 -0.37 0.00 -0.03 0.00 0.00 56.01 56.06 1xwe n LEU 1521Cb 0.48 -2.69 -0.03 0.00 -2.33 0.00 0.00 43.42 38.86 1xwe n LEU 1521CO 0.47 -1.02 1.89 -0.62 -1.33 0.00 0.00 177.39 176.78 1xwe s ASP 1522N -2.57 4.72 -0.03 -1.43 -1.08 -1.20 -4.77 116.67 110.31 1xwe s ASP 1522Ca 0.00 0.89 0.17 0.00 -0.52 0.00 0.00 52.55 53.09 1xwe s ASP 1522Cb 0.00 -2.51 0.54 0.00 -1.46 0.00 0.00 42.92 39.49 1xwe s ASP 1522CO 0.00 -2.70 1.44 0.18 0.52 0.00 0.00 175.17 174.61 1xwe n LEU 1523N 14.82 3.39 0.10 -1.34 4.77 -1.26 -4.18 117.00 133.30 1xwe n LEU 1523Ca 0.32 -1.70 -0.18 0.00 -0.03 0.00 0.00 56.01 54.42 1xwe n LEU 1523Cb 0.54 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 41.07 1xwe n LEU 1523CO 0.71 0.74 -0.03 0.71 -1.33 0.00 0.00 177.39 178.18 1xwe h THR 1524N 3.35 1.42 -3.59 -5.08 1.35 -2.00 -3.45 112.91 104.91 1xwe h THR 1524Ca 0.00 -2.81 -0.51 0.00 -0.55 0.00 0.00 66.41 62.54 1xwe h THR 1524Cb 0.93 2.82 0.01 0.00 -1.73 0.00 0.00 68.15 70.19 1xwe h THR 1524CO 0.07 0.83 0.49 -0.63 -0.25 0.00 0.00 175.52 176.03 1xwe s ILE 1525N -2.81 3.75 0.97 6.82 1.01 -1.26 -5.04 121.20 124.65 1xwe s ILE 1525Ca -0.06 1.54 -0.16 0.00 0.00 0.00 0.00 60.65 61.98 1xwe s ILE 1525Cb 0.07 -3.99 0.20 0.00 0.01 0.00 0.00 42.46 38.75 1xwe s ILE 1525CO 0.90 0.28 1.29 -0.44 0.00 0.00 0.00 174.94 176.96 1xwe s SER 1526N -0.19 3.00 0.04 3.58 0.01 -1.26 -4.98 113.70 113.90 1xwe s SER 1526Ca 0.49 0.36 0.25 0.00 1.31 0.00 0.00 55.95 58.37 1xwe s SER 1526Cb -0.30 -0.48 0.52 0.00 0.21 0.00 0.00 66.02 65.97 1xwe s SER 1526CO 0.36 -2.81 1.43 0.00 0.41 0.00 0.00 173.24 172.63 1xwe n ALA 1527N -3.84 3.19 -0.03 1.44 0.00 -1.26 -3.87 120.51 116.14 1xwe n ALA 1527Ca 0.14 -0.29 0.04 0.00 0.00 0.00 0.00 53.44 53.33 1xwe n ALA 1527Cb 0.60 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.73 0.76 -0.30 0.00 1.02 -1.26 -3.72 120.64 115.42 1xwe n GLU 1528Ca 0.05 -0.12 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 1xwe n GLU 1528Cb 0.37 -1.43 0.08 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.00 1.19 0.00 2.62 2.02 -1.96 -1.09 112.91 115.69 1xwe h THR 1529Ca -0.14 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1xwe h THR 1529Cb 1.18 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1xwe h THR 1529CO 0.01 0.20 -0.89 -2.11 0.37 0.00 0.00 175.52 173.10 1xwe n ARG 1530N -4.52 0.26 0.04 6.66 1.85 -1.26 -4.11 116.66 115.57 1xwe n ARG 1530Ca 0.09 0.02 -0.19 0.00 -1.00 0.00 0.00 57.85 56.77 1xwe n ARG 1530Cb 0.03 -1.60 -0.09 0.00 -1.05 0.00 0.00 32.46 29.75 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 0.67 0.00 2.89 1.63 -1.50 -3.00 116.57 117.27 1xwe h LYS 1531Ca 0.00 -0.70 0.00 0.00 -0.85 0.00 0.00 60.65 59.10 1xwe h LYS 1531Cb 0.71 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 1xwe h LYS 1531CO 0.00 1.28 0.00 1.04 -3.45 0.00 0.00 179.45 178.32 1xwe n GLN 1532N -3.85 0.08 -0.03 1.90 6.02 -0.46 -1.02 117.38 120.02 1xwe n GLN 1532Ca -0.10 0.53 -0.08 0.00 -0.01 0.00 0.00 57.00 57.34 1xwe n GLN 1532Cb 0.86 -1.74 -0.14 0.00 1.02 0.00 0.00 30.24 30.23 1xwe n GLN 1532CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1xwe n THR 1533N -1.91 1.50 0.12 5.09 -1.04 -1.14 -3.60 114.28 113.30 1xwe n THR 1533Ca -0.00 -0.80 0.06 0.00 -2.04 0.00 0.00 64.05 61.27 1xwe n THR 1533Cb 0.06 -0.86 0.52 0.00 -1.82 0.00 0.00 70.33 68.23 1xwe n THR 1533CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwe h ALA 1534N 1.05 1.84 -0.02 2.41 0.00 -1.00 -0.77 119.26 122.78 1xwe h ALA 1534Ca -0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xwe h ALA 1534Cb 2.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1xwe h ALA 1534CO 0.06 0.15 -0.27 0.00 0.00 0.00 0.00 179.25 179.19 1xwe n LYS 1536N 0.17 2.54 -0.31 0.00 4.81 -0.29 -4.88 118.16 120.20 1xwe n LYS 1536Ca 0.12 0.90 0.13 0.00 -0.87 0.00 0.00 58.31 58.59 1xwe n LYS 1536Cb 0.46 -2.65 0.30 0.00 0.02 0.00 0.00 35.03 33.16 1xwe n LYS 1536CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1xwe h PRO 1537N 4.57 0.42 0.44 1.64 0.11 -1.93 -1.79 132.00 135.47 1xwe h PRO 1537Ca -0.47 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1xwe h PRO 1537Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1xwe h PRO 1537CO 0.78 0.28 -0.29 0.93 -0.21 0.00 0.00 178.00 179.49 1xwe h GLU 1538N 0.44 -0.67 -5.95 1.05 4.39 -1.92 -3.40 114.58 108.52 1xwe h GLU 1538Ca 0.56 0.05 -0.56 0.00 0.34 0.00 0.00 59.36 59.74 1xwe h GLU 1538Cb 1.03 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1xwe h GLU 1538CO -0.51 -0.45 1.50 0.42 -1.16 0.00 0.00 179.01 178.81 1xwe s ILE 1539N -6.06 3.06 -0.02 3.13 -1.09 -0.67 -3.95 121.20 115.60 1xwe s ILE 1539Ca -0.17 0.06 -0.10 0.00 -2.23 0.00 0.00 60.65 58.21 1xwe s ILE 1539Cb 0.05 -3.10 -0.06 0.00 -1.58 0.00 0.00 42.46 37.78 1xwe s ILE 1539CO 0.63 -0.07 0.56 0.00 -1.23 0.00 0.00 174.94 174.84 1xwe h ALA 1540N 15.71 -0.51 -2.31 9.38 0.00 -0.67 -3.43 119.26 137.43 1xwe h ALA 1540Ca -0.37 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 53.92 1xwe h ALA 1540Cb 1.24 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1xwe h ALA 1540CO 1.01 -0.48 -0.59 1.52 0.00 0.00 0.00 179.25 180.71 1xwe s TYR 1541N -2.85 2.92 -0.32 0.00 -0.85 -0.84 -4.57 117.35 110.85 1xwe s TYR 1541Ca -0.05 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1xwe s TYR 1541Cb 0.01 -1.32 0.14 0.00 0.38 0.00 0.00 41.96 41.17 1xwe s TYR 1541CO 0.16 0.56 0.33 0.00 -1.52 0.00 0.00 175.55 175.08 1xwe s ALA 1542N -2.14 -0.48 0.29 9.51 0.00 -0.81 -1.97 121.76 126.15 1xwe s ALA 1542Ca 0.32 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.65 1xwe s ALA 1542Cb -0.08 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.15 1xwe s ALA 1542CO 0.22 -1.86 0.49 1.52 0.00 0.00 0.00 175.76 176.13 1xwe s TYR 1543N 2.05 0.58 0.05 0.00 -0.85 -0.91 -0.76 117.35 117.52 1xwe s TYR 1543Ca 0.12 -0.93 0.05 0.00 -0.52 0.00 0.00 57.07 55.79 1xwe s TYR 1543Cb -0.14 0.13 -0.04 0.00 0.38 0.00 0.00 41.96 42.29 1xwe s TYR 1543CO -0.23 -1.07 -0.05 -1.59 -1.52 0.00 0.00 175.55 171.09 1xwe s LYS 1544N -3.60 2.45 0.20 -3.49 -2.85 -0.88 -1.42 119.74 110.15 1xwe s LYS 1544Ca 0.25 -0.83 0.04 0.00 -1.00 0.00 0.00 55.97 54.43 1xwe s LYS 1544Cb -0.01 -2.47 -0.02 0.00 -2.06 0.00 0.00 37.83 33.28 1xwe s LYS 1544CO 0.13 0.56 0.15 1.33 0.10 0.00 0.00 175.35 177.62 1xwe n VAL 1545N 1.03 0.00 -3.67 1.79 0.24 -0.63 -1.12 118.33 115.98 1xwe n VAL 1545Ca -0.13 -1.44 -0.14 0.00 -2.04 0.00 0.00 64.34 60.59 1xwe n VAL 1545Cb 0.52 0.69 -0.14 0.00 -1.47 0.00 0.00 33.84 33.44 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 -2.40 0.37 0.37 -1.34 0.15 -0.77 -2.07 113.70 108.01 1xwe s SER 1546Ca 0.22 0.55 -0.28 0.00 0.70 0.00 0.00 55.95 57.14 1xwe s SER 1546Cb 0.01 0.62 -0.11 0.00 -1.71 0.00 0.00 66.02 64.83 1xwe s SER 1546CO 0.15 -0.24 1.47 -0.63 1.20 0.00 0.00 173.24 175.20 1xwe s ILE 1547N 2.32 2.12 0.00 6.45 -1.09 -1.15 -2.09 121.20 127.76 1xwe s ILE 1547Ca 0.01 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1xwe s ILE 1547Cb -0.12 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1xwe s ILE 1547CO -0.08 0.03 0.00 0.35 -1.23 0.00 0.00 174.94 174.01 1xwe n THR 1548N 0.58 0.00 -3.92 2.92 -2.24 -0.82 -2.04 114.28 108.75 1xwe n THR 1548Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 1xwe n THR 1548Cb 0.39 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.82 0.13 -0.02 3.42 0.01 -0.55 -4.79 113.70 108.07 1xwe s SER 1549Ca 0.00 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.91 1xwe s SER 1549Cb 0.00 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1xwe s SER 1549CO 0.00 -0.37 -0.07 -0.63 0.41 0.00 0.00 173.24 172.58 1xwe s ILE 1550N -1.61 0.64 -0.13 1.44 1.01 -1.26 -1.71 121.20 119.58 1xwe s ILE 1550Ca -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1xwe s ILE 1550Cb -0.07 -0.57 0.05 0.00 0.01 0.00 0.00 42.46 41.87 1xwe s ILE 1550CO -0.00 0.20 0.09 -0.89 0.00 0.00 0.00 174.94 174.34 1xwe s THR 1551N 0.16 -0.12 -0.19 2.92 2.01 -1.04 -5.02 115.64 114.36 1xwe s THR 1551Ca -0.02 0.06 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 1xwe s THR 1551Cb -0.07 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1xwe s THR 1551CO 0.00 -0.10 0.10 -0.69 -0.69 0.00 0.00 174.62 173.23 1xwe s VAL 1552N 2.17 5.10 0.00 3.82 1.01 -1.26 -1.66 120.40 129.58 1xwe s VAL 1552Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1xwe s VAL 1552Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1xwe s VAL 1552CO -0.07 0.45 0.00 -0.62 0.00 0.00 0.00 175.10 174.86 1xwe n GLU 1553N 3.53 2.54 0.37 2.72 1.02 -1.25 -5.01 120.64 124.56 1xwe n GLU 1553Ca -0.16 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.79 1xwe n GLU 1553Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.85 1xwe n GLU 1553CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1xwe h ASN 1554N 0.00 -1.26 0.00 1.62 -0.26 -2.02 -3.42 115.58 110.23 1xwe h ASN 1554Ca 0.00 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1xwe h ASN 1554Cb 0.00 0.38 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1xwe h ASN 1554CO 0.00 -0.70 -0.55 0.52 -1.06 0.00 0.00 177.43 175.64 1xwe n VAL 1555N -5.46 0.00 -2.98 2.81 0.31 -1.26 -4.89 118.33 106.86 1xwe n VAL 1555Ca -0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.76 1xwe n VAL 1555Cb 0.47 -0.36 -0.05 0.00 -0.91 0.00 0.00 33.84 33.00 1xwe n VAL 1555CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1xwe s PHE 1556N -1.55 2.88 0.23 3.52 0.40 -1.26 -1.88 117.98 120.32 1xwe s PHE 1556Ca 0.00 -0.42 -0.08 0.00 -0.60 0.00 0.00 56.93 55.83 1xwe s PHE 1556Cb 0.00 -3.93 -0.07 0.00 0.51 0.00 0.00 43.02 39.53 1xwe s PHE 1556CO 0.00 -1.30 0.53 0.08 0.70 0.00 0.00 175.22 175.22 1xwe s VAL 1557N 3.38 4.98 0.09 -0.44 1.01 -0.24 -3.84 120.40 125.33 1xwe s VAL 1557Ca 0.21 0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.59 1xwe s VAL 1557Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1xwe s VAL 1557CO 0.13 -0.10 -0.13 -0.54 0.00 0.00 0.00 175.10 174.47 1xwe s LYS 1558N -2.92 0.85 -0.05 2.72 1.02 -0.66 -1.27 119.74 119.43 1xwe s LYS 1558Ca 0.46 -1.06 -0.02 0.00 0.02 0.00 0.00 55.97 55.38 1xwe s LYS 1558Cb -0.11 -0.72 0.03 0.00 -0.52 0.00 0.00 37.83 36.51 1xwe s LYS 1558CO 0.23 0.14 0.05 0.71 -0.92 0.00 0.00 175.35 175.56 1xwe s TYR 1559N -1.79 0.20 -0.27 3.18 2.02 0.68 -2.49 117.35 118.89 1xwe s TYR 1559Ca 0.02 0.16 -0.12 0.00 -0.37 0.00 0.00 57.07 56.75 1xwe s TYR 1559Cb -0.07 -0.55 -0.05 0.00 -0.40 0.00 0.00 41.96 40.90 1xwe s TYR 1559CO 0.02 -0.22 0.26 0.21 -1.57 0.00 0.00 175.55 174.24 1xwe s LYS 1560N 2.09 4.00 0.15 -0.62 2.47 -0.69 -1.46 119.74 125.69 1xwe s LYS 1560Ca 0.05 -0.16 -0.01 0.00 -1.56 0.00 0.00 55.97 54.29 1xwe s LYS 1560Cb -0.12 -3.63 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 1xwe s LYS 1560CO -0.04 -0.16 0.07 0.00 0.16 0.00 0.00 175.35 175.38 1xwe s ALA 1561N 1.72 0.98 -0.14 3.13 0.00 -0.97 -1.49 121.76 125.00 1xwe s ALA 1561Ca 0.10 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1xwe s ALA 1561Cb -0.15 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 1xwe s ALA 1561CO 0.09 -0.50 -0.15 0.99 0.00 0.00 0.00 175.76 176.20 1xwe s THR 1562N -4.05 2.85 -0.24 0.00 2.01 -0.89 -2.76 115.64 112.55 1xwe s THR 1562Ca 0.28 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 1xwe s THR 1562Cb 0.07 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 1xwe s THR 1562CO 0.05 0.52 1.84 -0.22 -0.69 0.00 0.00 174.62 176.12 1xwe s LEU 1563N 0.51 3.68 0.01 4.42 2.96 -1.06 -1.84 118.68 127.36 1xwe s LEU 1563Ca -0.10 1.63 -0.23 0.00 -0.22 0.00 0.00 54.13 55.21 1xwe s LEU 1563Cb -0.16 -3.52 -0.13 0.00 0.50 0.00 0.00 46.19 42.88 1xwe s LEU 1563CO 0.04 -1.57 1.04 -0.07 -1.32 0.00 0.00 176.35 174.47 1xwe h LEU 1564N 13.12 -0.71 -7.29 -0.68 3.38 -1.42 -0.80 115.31 120.91 1xwe h LEU 1564Ca -0.36 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1xwe h LEU 1564Cb 1.18 0.18 -0.20 0.00 0.09 0.00 0.00 40.66 41.92 1xwe h LEU 1564CO 1.00 -0.37 -0.08 -0.62 0.09 0.00 0.00 178.44 178.46 1xwe s ASP 1565N -4.21 -0.40 -0.13 -0.43 2.15 -0.98 -3.84 116.67 108.83 1xwe s ASP 1565Ca -0.12 0.40 -0.11 0.00 0.43 0.00 0.00 52.55 53.15 1xwe s ASP 1565Cb 0.01 0.45 -0.05 0.00 -0.30 0.00 0.00 42.92 43.04 1xwe s ASP 1565CO 0.37 -0.49 0.22 -0.63 -0.17 0.00 0.00 175.17 174.47 1xwe s ILE 1566N -1.15 5.36 -0.16 4.11 1.01 -1.26 -2.08 121.20 127.02 1xwe s ILE 1566Ca -0.12 0.40 0.08 0.00 0.00 0.00 0.00 60.65 61.01 1xwe s ILE 1566Cb -0.03 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.81 1xwe s ILE 1566CO 0.06 0.51 0.23 -1.22 0.00 0.00 0.00 174.94 174.53 1xwe n TYR 1567N 2.70 0.00 -3.20 3.97 4.02 -0.49 -4.92 117.16 119.24 1xwe n TYR 1567Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1xwe n TYR 1567Cb 0.53 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.73 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 -2.17 0.51 0.31 -0.72 2.36 0.07 -4.92 119.74 115.18 1xwe s LYS 1568Ca -0.00 0.70 -0.25 0.00 -2.55 0.00 0.00 55.97 53.87 1xwe s LYS 1568Cb 0.05 0.19 -0.16 0.00 -1.05 0.00 0.00 37.83 36.86 1xwe s LYS 1568CO 0.31 -0.79 0.30 2.41 1.55 0.00 0.00 175.35 179.13 1xwe n THR 1569N 5.41 1.30 -3.90 3.43 -1.04 -1.26 -1.93 114.28 116.29 1xwe n THR 1569Ca 0.00 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.16 1xwe n THR 1569Cb 0.51 -0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.94 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 -1.00 2.03 0.60 3.41 0.00 -1.26 -4.29 107.32 106.80 1xwe s GLY 1570Ca 0.62 -0.70 0.32 0.00 0.00 0.00 0.00 44.72 44.96 1xwe s GLY 1570CO 0.59 -0.09 2.26 0.83 0.00 0.00 0.00 173.10 176.69 1xwe h GLU 1571N 6.05 0.00 -3.01 2.90 4.39 -1.92 -3.01 114.58 119.98 1xwe h GLU 1571Ca -0.45 0.00 -0.78 0.00 0.34 0.00 0.00 59.36 58.47 1xwe h GLU 1571Cb 1.18 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.62 1xwe h GLU 1571CO 0.68 0.01 1.53 0.00 -1.16 0.00 0.00 179.01 180.06 1xwe n ALA 1572N -2.27 5.61 -3.14 3.43 0.00 -1.26 -4.83 120.51 118.05 1xwe n ALA 1572Ca -0.03 -4.50 -0.33 0.00 0.00 0.00 0.00 53.44 48.58 1xwe n ALA 1572Cb 0.10 -2.63 0.03 0.00 0.00 0.00 0.00 19.45 16.95 1xwe n ALA 1572CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1xwe n VAL 1573N 1.96 -3.22 -4.24 0.00 3.14 -1.19 -4.83 118.33 109.95 1xwe n VAL 1573Ca 0.39 0.06 -0.34 0.00 -2.96 0.00 0.00 64.34 61.49 1xwe n VAL 1573Cb 0.32 -2.94 -0.11 0.00 -1.06 0.00 0.00 33.84 30.05 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xwe s ALA 1574N -1.27 3.16 0.01 1.55 0.00 -1.14 -4.98 121.76 119.08 1xwe s ALA 1574Ca 0.32 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 1xwe s ALA 1574Cb -0.03 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 1xwe s ALA 1574CO 0.74 0.19 -0.01 -1.21 0.00 0.00 0.00 175.76 175.47 1xwe s GLU 1575N 0.39 0.16 0.14 0.00 2.02 -1.26 -4.54 118.70 115.62 1xwe s GLU 1575Ca -0.01 -0.31 -0.33 0.00 0.02 0.00 0.00 54.97 54.34 1xwe s GLU 1575Cb -0.13 0.06 -0.12 0.00 0.10 0.00 0.00 34.13 34.03 1xwe s GLU 1575CO 0.02 -0.03 1.71 1.17 0.02 0.00 0.00 175.26 178.15 1xwe n LYS 1576N 2.31 2.47 -3.13 1.61 4.81 -1.26 -1.58 118.16 123.38 1xwe n LYS 1576Ca -0.18 0.89 -0.18 0.00 -0.87 0.00 0.00 58.31 57.97 1xwe n LYS 1576Cb 0.57 -2.72 0.05 0.00 0.02 0.00 0.00 35.03 32.95 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 4.39 -5.24 -2.39 3.14 2.03 -0.31 -5.02 116.55 113.15 1xwe n ASP 1577Ca 0.18 -0.33 -0.04 0.00 0.52 0.00 0.00 54.79 55.12 1xwe n ASP 1577Cb 0.32 -3.94 0.02 0.00 -0.72 0.00 0.00 41.12 36.80 1xwe n ASP 1577CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xwe n SER 1578N -1.77 0.20 -4.56 1.67 2.88 -0.62 -4.82 113.62 106.61 1xwe n SER 1578Ca -0.03 -1.17 -0.34 0.00 -1.33 0.00 0.00 58.87 56.00 1xwe n SER 1578Cb 0.57 -0.11 -0.11 0.00 -0.75 0.00 0.00 64.21 63.81 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1xwe s GLU 1579N -2.86 3.41 0.02 -1.46 2.12 -1.26 -2.56 118.70 116.10 1xwe s GLU 1579Ca 0.11 -0.48 -0.01 0.00 0.36 0.00 0.00 54.97 54.95 1xwe s GLU 1579Cb -0.01 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.50 1xwe s GLU 1579CO 0.07 0.41 -0.02 0.96 -0.54 0.00 0.00 175.26 176.14 1xwe s ILE 1580N -0.09 0.11 -0.13 -3.70 -4.36 -1.11 -4.95 121.20 106.96 1xwe s ILE 1580Ca 0.03 -0.89 -0.04 0.00 -0.26 0.00 0.00 60.65 59.49 1xwe s ILE 1580Cb -0.13 -0.27 0.06 0.00 1.25 0.00 0.00 42.46 43.37 1xwe s ILE 1580CO 0.02 -0.49 0.15 -0.89 0.24 0.00 0.00 174.94 173.97 1xwe s THR 1581N -1.45 -0.21 -0.17 8.37 2.01 -1.26 -2.30 115.64 120.62 1xwe s THR 1581Ca -0.16 0.09 -0.09 0.00 0.31 0.00 0.00 61.69 61.85 1xwe s THR 1581Cb -0.10 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.91 1xwe s THR 1581CO -0.01 -0.06 0.13 -0.36 -0.69 0.00 0.00 174.62 173.63 1xwe s PHE 1582N 2.25 3.45 0.07 4.92 0.40 -0.54 0.39 117.98 128.92 1xwe s PHE 1582Ca 0.04 0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.83 1xwe s PHE 1582Cb -0.14 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.27 1xwe s PHE 1582CO -0.08 0.42 -0.23 0.96 0.70 0.00 0.00 175.22 176.99 1xwe s ILE 1583N -0.07 1.84 0.00 0.64 -4.36 -0.83 -0.23 121.20 118.19 1xwe s ILE 1583Ca 0.10 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 1xwe s ILE 1583Cb -0.11 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 41.98 1xwe s ILE 1583CO -0.00 0.15 0.00 2.29 0.24 0.00 0.00 174.94 177.62 1xwe n LYS 1584N 1.52 0.00 -3.99 0.37 2.85 -0.39 -2.46 118.16 116.06 1xwe n LYS 1584Ca -0.18 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 56.81 1xwe n LYS 1584Cb 0.53 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.90 1xwe n LYS 1584CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1xwe s LYS 1585N -1.45 2.25 0.00 -1.58 3.01 -1.26 -1.08 119.74 119.63 1xwe s LYS 1585Ca 0.00 -2.07 0.28 0.00 -1.01 0.00 0.00 55.97 53.17 1xwe s LYS 1585Cb 0.00 -2.03 0.96 0.00 -1.01 0.00 0.00 37.83 35.75 1xwe s LYS 1585CO 0.00 -0.59 1.69 1.33 0.51 0.00 0.00 175.35 178.29 1xwe n VAL 1586N -1.71 0.00 0.24 3.17 0.24 -0.79 -3.88 118.33 115.60 1xwe n VAL 1586Ca -0.04 -0.26 0.12 0.00 -2.04 0.00 0.00 64.34 62.13 1xwe n VAL 1586Cb 0.65 0.57 0.47 0.00 -1.47 0.00 0.00 33.84 34.05 1xwe n VAL 1586CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1xwe h THR 1587N 2.44 0.32 -2.29 3.34 1.35 -1.90 -3.44 112.91 112.73 1xwe h THR 1587Ca 0.00 -0.97 -0.56 0.00 -0.55 0.00 0.00 66.41 64.33 1xwe h THR 1587Cb 0.54 1.75 0.03 0.00 -1.73 0.00 0.00 68.15 68.74 1xwe h THR 1587CO 0.00 0.13 1.13 0.00 -0.25 0.00 0.00 175.52 176.54 1xwe n THR 1589N 5.07 1.18 -0.20 0.00 -1.04 -0.93 -4.49 114.28 113.87 1xwe n THR 1589Ca 0.20 -0.46 0.08 0.00 -2.04 0.00 0.00 64.05 61.83 1xwe n THR 1589Cb 0.36 -1.22 0.30 0.00 -1.82 0.00 0.00 70.33 67.95 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xwe n ASN 1590N -3.09 3.96 -4.82 8.00 5.03 -1.26 -4.91 115.26 118.17 1xwe n ASN 1590Ca -0.36 -2.34 -0.36 0.00 0.87 0.00 0.00 54.58 52.38 1xwe n ASN 1590Cb 0.89 -0.52 -0.07 0.00 -1.02 0.00 0.00 39.78 39.07 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwe s ALA 1591N -1.75 3.79 -0.28 5.41 0.00 -1.26 -1.42 121.76 126.24 1xwe s ALA 1591Ca 0.42 -0.66 -0.16 0.00 0.00 0.00 0.00 51.96 51.56 1xwe s ALA 1591Cb 0.27 -2.03 0.09 0.00 0.00 0.00 0.00 23.12 21.45 1xwe s ALA 1591CO 0.21 0.45 0.73 -1.83 0.00 0.00 0.00 175.76 175.31 1xwe s GLU 1592N -0.50 0.67 -0.02 0.00 -1.05 -1.26 -5.02 118.70 111.52 1xwe s GLU 1592Ca 0.12 1.15 0.01 0.00 -0.15 0.00 0.00 54.97 56.11 1xwe s GLU 1592Cb -0.12 0.13 0.01 0.00 -0.44 0.00 0.00 34.13 33.71 1xwe s GLU 1592CO 0.02 -0.14 -0.04 -0.51 0.95 0.00 0.00 175.26 175.54 1xwe s LEU 1593N 1.59 1.71 -0.04 1.83 1.43 -1.26 -4.98 118.68 118.96 1xwe s LEU 1593Ca -0.10 -0.09 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 1xwe s LEU 1593Cb -0.05 -0.31 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 1xwe s LEU 1593CO -0.19 0.01 -0.21 0.54 0.23 0.00 0.00 176.35 176.73 1xwe s VAL 1594N 0.31 2.50 0.07 -1.59 0.11 -1.26 -5.10 120.40 115.44 1xwe s VAL 1594Ca -0.03 -0.93 -0.31 0.00 -2.93 0.00 0.00 61.98 57.78 1xwe s VAL 1594Cb -0.07 -1.93 -0.06 0.00 -1.53 0.00 0.00 36.38 32.79 1xwe s VAL 1594CO -0.00 0.58 1.25 -1.59 -3.33 0.00 0.00 175.10 172.00 1xwe s LYS 1595N -0.55 4.40 0.00 1.54 -2.85 -1.26 -3.67 119.74 117.35 1xwe s LYS 1595Ca 0.08 1.84 0.00 0.00 -1.00 0.00 0.00 55.97 56.89 1xwe s LYS 1595Cb -0.11 -3.34 0.00 0.00 -2.06 0.00 0.00 37.83 32.32 1xwe s LYS 1595CO 0.01 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 175.55 1xwe n GLY 1596N 3.30 3.36 3.68 0.59 0.00 -0.87 -4.99 105.19 110.26 1xwe n GLY 1596Ca 0.10 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.55 0.13 1.61 3.00 -1.24 -4.71 118.95 118.29 1xwe s ARG 1597Ca 0.00 0.59 0.04 0.00 0.00 0.00 0.00 55.73 56.37 1xwe s ARG 1597Cb 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 34.95 33.17 1xwe s ARG 1597CO 0.00 -2.67 0.10 -0.65 0.00 0.00 0.00 175.30 172.08 1xwe s GLN 1598N -4.94 2.85 -0.05 3.54 -0.21 -1.24 -2.95 119.66 116.66 1xwe s GLN 1598Ca 0.65 -0.81 -0.11 0.00 0.02 0.00 0.00 55.36 55.11 1xwe s GLN 1598Cb -0.19 -2.66 0.02 0.00 1.00 0.00 0.00 33.01 31.19 1xwe s GLN 1598CO 0.58 0.52 0.26 0.71 -2.12 0.00 0.00 175.29 175.24 1xwe s TYR 1599N -1.58 -0.19 -0.11 0.91 2.02 -0.88 -1.01 117.35 116.51 1xwe s TYR 1599Ca 0.30 0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 57.24 1xwe s TYR 1599Cb -0.11 0.07 -0.05 0.00 -0.40 0.00 0.00 41.96 41.48 1xwe s TYR 1599CO 0.22 -0.27 0.39 -1.17 -1.57 0.00 0.00 175.55 173.15 1xwe s LEU 1600N -0.70 4.31 -0.11 -1.29 2.96 -0.25 -1.60 118.68 122.00 1xwe s LEU 1600Ca -0.08 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 1xwe s LEU 1600Cb -0.04 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.13 1xwe s LEU 1600CO 0.02 0.12 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.43 1xwe s ILE 1601N 0.13 1.23 -0.08 6.68 1.01 -0.51 -2.06 121.20 127.60 1xwe s ILE 1601Ca 0.22 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 1xwe s ILE 1601Cb -0.15 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 41.19 1xwe s ILE 1601CO 0.08 0.39 0.09 -0.04 0.00 0.00 0.00 174.94 175.47 1xwe s MET 1602N 1.30 -0.03 0.00 2.79 -1.94 -0.83 -2.14 119.30 118.46 1xwe s MET 1602Ca -0.02 0.31 0.00 0.00 -1.71 0.00 0.00 55.69 54.27 1xwe s MET 1602Cb -0.14 -0.77 0.00 0.00 2.01 0.00 0.00 34.83 35.93 1xwe s MET 1602CO -0.05 -0.41 0.00 0.41 -0.01 0.00 0.00 175.02 174.97 1xwe n GLY 1603N 5.30 -1.00 3.37 -0.03 0.00 -0.83 -2.09 105.19 109.91 1xwe n GLY 1603Ca -0.04 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 0.00 -0.57 -1.79 1.61 4.76 -1.25 -0.04 118.16 120.88 1xwe n LYS 1604Ca 0.00 -0.13 -0.25 0.00 -2.87 0.00 0.00 58.31 55.06 1xwe n LYS 1604Cb 0.00 -1.79 0.17 0.00 -1.84 0.00 0.00 35.03 31.57 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 -1.63 -0.98 -2.44 1.97 0.28 -1.26 -4.62 120.64 111.95 1xwe n GLU 1605Ca 0.05 -1.92 -0.25 0.00 -0.16 0.00 0.00 57.16 54.89 1xwe n GLU 1605Cb 0.56 -1.12 0.14 0.00 1.43 0.00 0.00 31.44 32.45 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 -3.63 -0.16 -3.93 -1.84 0.00 -1.26 -4.70 120.51 104.99 1xwe n ALA 1606Ca -0.18 -1.93 -0.28 0.00 0.00 0.00 0.00 53.44 51.05 1xwe n ALA 1606Cb 0.52 0.24 -0.17 0.00 0.00 0.00 0.00 19.45 20.04 1xwe n ALA 1606CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1xwe s LEU 1607N 0.00 1.56 -0.58 0.00 2.34 -1.25 -4.88 118.68 115.87 1xwe s LEU 1607Ca 0.69 -0.55 -0.26 0.00 0.06 0.00 0.00 54.13 54.07 1xwe s LEU 1607Cb -0.03 -0.97 0.04 0.00 -0.56 0.00 0.00 46.19 44.67 1xwe s LEU 1607CO 0.46 -0.14 1.07 -1.58 -1.06 0.00 0.00 176.35 175.10 1xwe s GLN 1608N 1.61 3.38 0.00 1.48 0.74 -1.26 -4.18 119.66 121.43 1xwe s GLN 1608Ca 0.02 -0.08 0.10 0.00 0.05 0.00 0.00 55.36 55.46 1xwe s GLN 1608Cb -0.14 -4.06 -0.00 0.00 1.10 0.00 0.00 33.01 29.91 1xwe s GLN 1608CO -0.08 -1.63 0.64 0.44 -0.55 0.00 0.00 175.29 174.11 1xwe n ILE 1609N 6.39 0.00 -1.48 -2.34 -5.35 -1.11 -4.96 119.36 110.52 1xwe n ILE 1609Ca 0.04 -0.40 -0.52 0.00 -0.27 0.00 0.00 62.75 61.61 1xwe n ILE 1609Cb 0.48 1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 39.43 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 -0.23 1.12 0.00 6.28 4.81 -1.25 -4.42 118.16 124.46 1xwe n LYS 1610Ca 0.04 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 1xwe n LYS 1610Cb 0.22 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.86 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1xwe n TYR 1611N 9.13 0.00 0.00 5.64 9.36 -1.26 -4.88 117.16 135.15 1xwe n TYR 1611Ca 0.39 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1xwe n TYR 1611Cb 0.21 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 1xwe n TYR 1611CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xwe n ASN 1612N -0.46 0.00 0.00 2.98 5.15 -1.26 -5.08 115.26 116.59 1xwe n ASN 1612Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1xwe n ASN 1612Cb 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwe n ALA 1613N -1.92 0.00 1.63 5.20 0.00 -1.26 -4.91 120.51 119.24 1xwe n ALA 1613Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xwe n ALA 1613Cb 0.00 0.00 0.80 0.00 0.00 0.00 0.00 19.45 20.25 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe n SER 1614N -0.94 0.00 -4.68 0.00 2.88 -1.26 -4.80 113.62 104.82 1xwe n SER 1614Ca 0.00 -0.62 -0.23 0.00 -1.33 0.00 0.00 58.87 56.69 1xwe n SER 1614Cb 0.00 -0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.29 1xwe n SER 1614CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1xwe s PHE 1615N -2.20 2.71 -0.11 0.66 0.08 -1.26 -5.04 117.98 112.82 1xwe s PHE 1615Ca 0.37 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 57.15 1xwe s PHE 1615Cb 0.19 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 1xwe s PHE 1615CO 0.36 0.53 0.00 2.89 -0.10 0.00 0.00 175.22 178.91 1xwe n ARG 1616N -0.98 -1.90 0.01 0.44 1.85 -1.26 -4.17 116.66 110.65 1xwe n ARG 1616Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.79 1xwe n ARG 1616Cb 0.60 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1xwe n ARG 1616CO 0.00 0.00 0.00 1.88 -0.01 0.00 0.00 177.63 179.50 1xwe h TYR 1617N 0.00 -0.02 -5.58 2.89 -1.99 -1.93 -2.93 116.97 107.40 1xwe h TYR 1617Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1xwe h TYR 1617Cb 0.00 0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1xwe h TYR 1617CO 0.00 -0.01 -0.18 0.44 -0.00 0.00 0.00 178.16 178.40 1xwe n ILE 1618N -2.09 -1.08 -1.70 -2.88 -5.35 -1.26 -3.88 119.36 101.12 1xwe n ILE 1618Ca -0.00 0.09 -0.42 0.00 -0.27 0.00 0.00 62.75 62.15 1xwe n ILE 1618Cb 0.01 -2.33 -0.00 0.00 -1.74 0.00 0.00 39.64 35.58 1xwe n ILE 1618CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1xwe n TYR 1619N 2.14 2.25 -1.59 4.28 4.02 0.16 -4.56 117.16 123.86 1xwe n TYR 1619Ca 0.00 0.54 -0.30 0.00 -0.01 0.00 0.00 57.90 58.13 1xwe n TYR 1619Cb 0.09 -2.41 0.18 0.00 -0.02 0.00 0.00 39.34 37.19 1xwe n TYR 1619CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1xwe s PRO 1620N -1.95 0.30 -0.37 -0.72 0.04 -1.26 -1.96 135.00 129.08 1xwe s PRO 1620Ca 0.57 -0.11 0.05 0.00 0.04 0.00 0.00 61.00 61.54 1xwe s PRO 1620Cb -0.55 -1.78 0.17 0.00 0.04 0.00 0.00 34.50 32.38 1xwe s PRO 1620CO 0.61 -2.69 0.51 -1.17 0.04 0.00 0.00 177.00 174.30 1xwe s LEU 1621N -6.21 -0.93 0.00 -3.56 2.96 -1.03 -4.56 118.68 105.35 1xwe s LEU 1621Ca 0.70 -0.93 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1xwe s LEU 1621Cb -0.09 1.36 0.00 0.00 0.50 0.00 0.00 46.19 47.97 1xwe s LEU 1621CO 0.54 -0.24 0.00 0.47 -1.32 0.00 0.00 176.35 175.80 1xwe n ASP 1622N 4.56 1.68 -0.47 3.68 9.92 -1.26 -4.67 116.55 129.99 1xwe n ASP 1622Ca 0.09 -0.03 0.02 0.00 -0.53 0.00 0.00 54.79 54.34 1xwe n ASP 1622Cb 0.52 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.06 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xwe n SER 1623N -0.04 1.23 -0.00 -2.24 3.41 -1.26 -1.06 113.62 113.66 1xwe n SER 1623Ca 0.00 -2.07 0.04 0.00 -0.26 0.00 0.00 58.87 56.58 1xwe n SER 1623Cb 0.00 -0.28 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 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 -0.00 0.28 -4.65 1.04 -0.00 -1.26 -4.59 117.00 107.81 1xwe n LEU 1624Ca 0.05 -0.33 -0.43 0.00 -0.00 0.00 0.00 56.01 55.30 1xwe n LEU 1624Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.65 1xwe n LEU 1624CO 0.04 0.07 1.05 -0.89 -0.00 0.00 0.00 177.39 177.67 1xwe s THR 1625N -2.13 4.35 -0.45 1.47 2.01 -1.20 -4.78 115.64 114.90 1xwe s THR 1625Ca 0.01 1.60 -0.28 0.00 0.31 0.00 0.00 61.69 63.34 1xwe s THR 1625Cb 0.07 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.49 1xwe s THR 1625CO 0.38 -0.22 1.05 0.86 -0.69 0.00 0.00 174.62 176.00 1xwe s TRP 1626N 3.61 2.89 -0.16 4.92 -0.11 -0.89 -4.66 118.94 124.54 1xwe s TRP 1626Ca 0.52 0.66 0.01 0.00 1.22 0.00 0.00 56.10 58.51 1xwe s TRP 1626Cb -0.19 -4.18 0.02 0.00 -1.50 0.00 0.00 33.47 27.62 1xwe s TRP 1626CO 0.14 -1.15 -0.15 0.42 -4.62 0.00 0.00 176.95 171.59 1xwe s ILE 1627N 4.11 1.71 -0.02 5.86 1.01 -1.25 -1.96 121.20 130.66 1xwe s ILE 1627Ca 0.44 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1xwe s ILE 1627Cb -0.09 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1xwe s ILE 1627CO 0.28 0.45 -0.21 -0.70 0.00 0.00 0.00 174.94 174.76 1xwe s GLU 1628N 1.42 1.76 0.03 2.79 2.56 -0.88 -3.95 118.70 122.43 1xwe s GLU 1628Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 54.97 53.96 1xwe s GLU 1628Cb -0.13 -1.67 -0.07 0.00 2.00 0.00 0.00 34.13 34.25 1xwe s GLU 1628CO -0.11 0.44 1.66 -0.47 -0.56 0.00 0.00 175.26 176.22 1xwe s TYR 1629N -0.45 2.24 -0.59 5.30 5.04 -1.26 -1.10 117.35 126.54 1xwe s TYR 1629Ca 0.07 0.25 -0.09 0.00 -2.44 0.00 0.00 57.07 54.87 1xwe s TYR 1629Cb -0.09 -3.96 0.15 0.00 0.35 0.00 0.00 41.96 38.42 1xwe s TYR 1629CO -0.00 -3.92 0.46 -0.46 -1.34 0.00 0.00 175.55 170.29 1xwe s TRP 1630N 3.13 3.49 -0.78 4.97 -0.11 -0.18 -4.88 118.94 124.57 1xwe s TRP 1630Ca 0.74 -2.10 -0.25 0.00 1.22 0.00 0.00 56.10 55.71 1xwe s TRP 1630Cb -0.38 -3.50 -0.17 0.00 -1.50 0.00 0.00 33.47 27.92 1xwe s TRP 1630CO 0.32 -0.96 2.48 -2.30 -4.62 0.00 0.00 176.95 171.87 1xwe n PRO 1631N 4.36 0.47 0.25 5.86 -0.02 -1.26 -3.62 135.00 141.04 1xwe n PRO 1631Ca 0.01 -0.13 0.08 0.00 -2.02 0.00 0.00 63.50 61.43 1xwe n PRO 1631Cb 0.41 -2.48 0.62 0.00 -0.02 0.00 0.00 33.50 32.03 1xwe n PRO 1631CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1xwe h ARG 1632N 14.78 0.00 -6.73 -0.52 2.43 -1.96 -3.43 114.38 118.96 1xwe h ARG 1632Ca -0.10 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.57 1xwe h ARG 1632Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1xwe h ARG 1632CO 1.28 0.10 0.05 -0.51 -1.51 0.00 0.00 179.97 179.37 1xwe s ASP 1633N -6.84 6.55 0.00 -3.80 1.11 -1.26 -5.00 116.67 107.43 1xwe s ASP 1633Ca -0.04 1.06 0.00 0.00 0.18 0.00 0.00 52.55 53.75 1xwe s ASP 1633Cb 0.16 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.86 1xwe s ASP 1633CO 0.66 -0.30 0.00 0.35 1.18 0.00 0.00 175.17 177.06 1xwe n THR 1634N -0.99 0.00 0.89 -1.27 -2.24 -1.26 -4.45 114.28 104.95 1xwe n THR 1634Ca 0.02 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.91 1xwe n THR 1634Cb 0.54 -0.82 0.13 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.63 0.06 -2.22 4.28 5.66 -1.26 -1.90 114.28 116.27 1xwe n THR 1635Ca 0.00 -0.07 -0.43 0.00 -3.05 0.00 0.00 64.05 60.51 1xwe n THR 1635Cb 0.18 0.36 -0.02 0.00 -1.55 0.00 0.00 70.33 69.30 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 8.51 -3.07 -2.65 0.00 3.41 -1.26 -3.57 113.62 114.98 1xwe n SER 1637Ca 0.18 0.25 -0.04 0.00 -0.26 0.00 0.00 58.87 58.99 1xwe n SER 1637Cb 0.46 -2.81 -0.04 0.00 -0.26 0.00 0.00 64.21 61.56 1xwe n SER 1637CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1xwe n SER 1638N -0.87 -2.22 0.00 4.04 2.88 -1.20 -5.00 113.62 111.24 1xwe n SER 1638Ca -0.11 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 1xwe n SER 1638Cb 0.45 -5.10 0.00 0.00 -0.75 0.00 0.00 64.21 58.81 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 0.00 0.62 0.28 0.00 10.64 -0.80 -3.12 117.38 125.01 1xwe n GLN 1640Ca 0.00 0.02 0.16 0.00 -1.83 0.00 0.00 57.00 55.35 1xwe n GLN 1640Cb 0.50 -1.50 0.81 0.00 -0.86 0.00 0.00 30.24 29.19 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xwe h ALA 1641N 3.36 1.10 0.08 2.61 0.00 -1.87 -2.42 119.26 122.11 1xwe h ALA 1641Ca 0.00 -0.05 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1xwe h ALA 1641Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1xwe h ALA 1641CO 0.00 0.08 -1.98 0.34 0.00 0.00 0.00 179.25 177.69 1xwe n PHE 1642N -3.30 1.05 0.26 0.00 -0.00 -1.18 -4.06 117.46 110.22 1xwe n PHE 1642Ca -0.01 0.26 0.11 0.00 -0.00 0.00 0.00 57.45 57.81 1xwe n PHE 1642Cb 0.24 -1.15 0.68 0.00 -0.00 0.00 0.00 39.48 39.25 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 0.05 0.00 -1.48 -2.13 -0.00 -1.68 -1.97 115.31 108.11 1xwe h LEU 1643Ca -0.41 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.43 1xwe h LEU 1643Cb 2.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.68 1xwe h LEU 1643CO 0.07 0.13 -0.15 0.00 -0.00 0.00 0.00 178.44 178.49 1xwe h ALA 1644N 1.87 1.57 0.18 1.53 0.00 -1.58 -0.43 119.26 122.39 1xwe h ALA 1644Ca -0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.40 1xwe h ALA 1644Cb 0.33 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1xwe h ALA 1644CO 0.02 0.31 -1.35 -0.97 0.00 0.00 0.00 179.25 177.27 1xwe h ASN 1645N 0.14 0.77 0.93 0.00 -0.73 -1.55 -3.23 115.58 111.91 1xwe h ASN 1645Ca 0.03 -0.77 -0.02 0.00 1.87 0.00 0.00 56.30 57.40 1xwe h ASN 1645Cb 0.36 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.70 1xwe h ASN 1645CO 0.02 1.59 -0.11 -0.07 -0.37 0.00 0.00 177.43 178.50 1xwe h LEU 1646N 0.18 0.00 -0.33 0.34 3.38 -1.28 -3.10 115.31 114.50 1xwe h LEU 1646Ca -0.21 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1xwe h LEU 1646Cb 2.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.76 1xwe h LEU 1646CO 0.25 0.11 0.17 -0.78 0.09 0.00 0.00 178.44 178.27 1xwe h ASP 1647N 0.00 0.25 -0.08 -0.43 3.58 -1.10 -1.17 116.42 117.47 1xwe h ASP 1647Ca -0.00 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1xwe h ASP 1647Cb 0.61 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1xwe h ASP 1647CO 0.01 0.19 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.34 1xwe h GLU 1648N 0.35 0.41 -0.45 0.28 4.57 -1.67 -2.54 114.58 115.53 1xwe h GLU 1648Ca 0.14 -0.12 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 1xwe h GLU 1648Cb 0.04 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1xwe h GLU 1648CO -0.09 0.55 -0.03 0.35 -1.18 0.00 0.00 179.01 178.61 1xwe h PHE 1649N 0.38 0.80 0.00 0.92 3.57 -1.40 0.11 116.94 121.32 1xwe h PHE 1649Ca 0.07 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 1xwe h PHE 1649Cb 0.48 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1xwe h PHE 1649CO 0.01 0.76 -0.50 0.00 -2.23 0.00 0.00 178.31 176.36 1xwe h ALA 1650N 1.27 1.02 -0.01 2.41 0.00 -0.84 -2.84 119.26 120.27 1xwe h ALA 1650Ca 0.13 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xwe h ALA 1650Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xwe h ALA 1650CO 0.02 0.63 -0.38 -1.91 0.00 0.00 0.00 179.25 177.61 1xwe n GLU 1651N -3.72 1.02 0.01 0.00 2.13 -0.98 -3.29 120.64 115.81 1xwe n GLU 1651Ca -0.01 -0.75 0.11 0.00 0.66 0.00 0.00 57.16 57.17 1xwe n GLU 1651Cb 0.56 -1.48 -0.06 0.00 0.27 0.00 0.00 31.44 30.72 1xwe n GLU 1651CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xwe n ASP 1652N -0.34 0.57 -0.09 4.31 2.03 0.33 -3.11 116.55 120.25 1xwe n ASP 1652Ca 0.11 -0.36 -0.09 0.00 0.52 0.00 0.00 54.79 54.96 1xwe n ASP 1652Cb 0.41 1.12 -0.14 0.00 -0.72 0.00 0.00 41.12 41.79 1xwe n ASP 1652CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xwe n ILE 1653N -1.92 1.24 0.03 5.18 0.13 -1.09 0.42 119.36 123.35 1xwe n ILE 1653Ca 0.01 -0.74 -0.21 0.00 -1.10 0.00 0.00 62.75 60.72 1xwe n ILE 1653Cb 0.44 -0.59 -0.14 0.00 -0.84 0.00 0.00 39.64 38.50 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 0.49 0.00 9.51 3.57 -1.74 -3.15 116.94 125.62 1xwe h PHE 1654Ca -0.49 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 60.66 1xwe h PHE 1654Cb 2.08 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.80 1xwe h PHE 1654CO 0.00 1.40 0.00 -0.11 -2.23 0.00 0.00 178.31 177.37 1xwe n LEU 1655N -4.06 0.12 -0.31 0.59 0.00 -1.18 -4.56 117.00 107.59 1xwe n LEU 1655Ca -0.18 0.22 -0.04 0.00 0.00 0.00 0.00 56.01 56.01 1xwe n LEU 1655Cb 0.84 -0.46 0.08 0.00 0.00 0.00 0.00 43.42 43.88 1xwe n LEU 1655CO 0.45 -0.46 1.17 0.78 0.00 0.00 0.00 177.39 179.33 1xwe h ASN 1656N 0.00 1.03 0.00 1.96 2.35 -1.60 -3.48 115.58 115.84 1xwe h ASN 1656Ca 0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1xwe h ASN 1656Cb 0.00 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.11 1xwe h ASN 1656CO 0.00 0.81 0.00 0.61 -1.65 0.00 0.00 177.43 177.20 1xwe n GLY 1657N -1.16 2.81 0.34 2.83 0.00 0.17 -4.93 105.19 105.25 1xwe n GLY 1657Ca 0.08 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.74 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32