#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 6.81 -0.18 1.61 0.01 -1.26 -5.07 113.70 115.61 1xwe s SER 1509Ca 0.00 0.96 -0.13 0.00 1.31 0.00 0.00 55.95 58.08 1xwe s SER 1509Cb 0.00 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 1xwe s SER 1509CO 0.00 0.28 0.28 -2.28 0.41 0.00 0.00 173.24 171.93 1xwe s HIS 1510N -0.82 3.42 -0.24 2.43 5.65 -1.26 -5.07 115.29 119.40 1xwe s HIS 1510Ca 0.24 0.53 -0.06 0.00 0.25 0.00 0.00 55.06 56.02 1xwe s HIS 1510Cb -0.17 -2.35 -0.02 0.00 -1.18 0.00 0.00 32.58 28.86 1xwe s HIS 1510CO 0.13 0.17 0.03 1.41 -0.65 0.00 0.00 174.74 175.83 1xwe s MET 1511N 0.70 3.55 0.00 2.88 -2.45 -1.26 -4.98 119.30 117.74 1xwe s MET 1511Ca 0.15 -0.53 0.03 0.00 -1.25 0.00 0.00 55.69 54.09 1xwe s MET 1511Cb -0.13 -3.21 -0.01 0.00 1.25 0.00 0.00 34.83 32.73 1xwe s MET 1511CO 0.04 -0.19 -0.09 0.00 1.05 0.00 0.00 175.02 175.84 1xwe s ALA 1512N 1.55 0.73 0.32 4.11 0.00 -1.26 -5.04 121.76 122.17 1xwe s ALA 1512Ca 0.06 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1xwe s ALA 1512Cb -0.15 -0.16 0.55 0.00 0.00 0.00 0.00 23.12 23.36 1xwe s ALA 1512CO 0.01 0.16 1.80 0.38 0.00 0.00 0.00 175.76 178.11 1xwe h ASP 1513N 5.74 0.39 0.00 0.00 3.04 -1.99 -3.44 116.42 120.16 1xwe h ASP 1513Ca -0.31 -0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 1xwe h ASP 1513Cb 1.18 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.37 1xwe h ASP 1513CO 0.49 0.60 0.00 0.00 -2.04 0.00 0.00 179.24 178.28 1xwe n GLY 1515N 0.00 -0.32 0.44 0.00 0.00 -1.18 -3.77 105.19 100.35 1xwe n GLY 1515Ca 0.00 0.13 0.23 0.00 0.00 0.00 0.00 46.02 46.39 1xwe n GLY 1515CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xwe h GLN 1516N 11.59 0.00 0.00 1.61 4.20 -1.83 -2.81 115.11 127.88 1xwe h GLN 1516Ca 0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 1xwe h GLN 1516Cb 1.01 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 1xwe h GLN 1516CO 1.05 0.00 -0.21 -1.33 -0.67 0.00 0.00 178.83 177.67 1xwe n MET 1517N -3.48 -1.19 -4.00 1.46 2.81 -1.26 -4.87 117.12 106.58 1xwe n MET 1517Ca 0.13 0.79 -0.11 0.00 -1.81 0.00 0.00 57.70 56.70 1xwe n MET 1517Cb 0.98 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.99 1xwe n MET 1517CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1xwe s GLN 1518N -0.92 1.73 0.49 0.03 -2.07 -1.26 -5.04 119.66 112.61 1xwe s GLN 1518Ca 0.00 -1.42 -0.24 0.00 -1.82 0.00 0.00 55.36 51.88 1xwe s GLN 1518Cb 0.00 0.48 -0.07 0.00 -1.09 0.00 0.00 33.01 32.33 1xwe s GLN 1518CO 0.00 -0.73 1.39 -1.21 -1.32 0.00 0.00 175.29 173.42 1xwe s GLU 1519N -3.56 3.47 0.40 9.60 0.41 -1.26 -4.83 118.70 122.93 1xwe s GLU 1519Ca 0.24 2.33 0.28 0.00 -0.41 0.00 0.00 54.97 57.41 1xwe s GLU 1519Cb -0.01 -2.49 1.28 0.00 -1.78 0.00 0.00 34.13 31.13 1xwe s GLU 1519CO 0.12 -0.96 1.85 0.93 -0.49 0.00 0.00 175.26 176.72 1xwe h GLU 1520N 1.97 0.00 -1.96 1.61 5.08 -2.01 -3.39 114.58 115.88 1xwe h GLU 1520Ca -0.51 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.61 1xwe h GLU 1520Cb 1.28 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.22 1xwe h GLU 1520CO 0.59 0.00 -0.57 -0.51 -1.00 0.00 0.00 179.01 177.53 1xwe s LEU 1521N -5.15 -0.51 -0.10 1.33 1.43 -1.26 -4.72 118.68 109.70 1xwe s LEU 1521Ca 0.01 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1xwe s LEU 1521Cb 0.09 0.84 0.02 0.00 0.03 0.00 0.00 46.19 47.17 1xwe s LEU 1521CO 0.41 -0.36 -0.09 -0.62 0.23 0.00 0.00 176.35 175.92 1xwe s ASP 1522N 2.46 2.05 -0.08 2.29 -1.08 -1.26 -5.00 116.67 116.06 1xwe s ASP 1522Ca 0.10 -0.30 0.14 0.00 -0.52 0.00 0.00 52.55 51.97 1xwe s ASP 1522Cb -0.14 -0.83 0.44 0.00 -1.46 0.00 0.00 42.92 40.93 1xwe s ASP 1522CO -0.28 -0.08 1.36 0.18 0.52 0.00 0.00 175.17 176.88 1xwe n LEU 1523N 4.65 3.50 0.08 -1.34 4.77 -1.26 -4.42 117.00 122.98 1xwe n LEU 1523Ca -0.15 -2.42 0.11 0.00 -0.03 0.00 0.00 56.01 53.52 1xwe n LEU 1523Cb 0.50 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1xwe n LEU 1523CO 0.19 0.72 -0.17 0.35 -1.33 0.00 0.00 177.39 177.15 1xwe n THR 1524N 0.23 0.48 -2.96 -5.08 -2.24 -1.26 -4.90 114.28 98.55 1xwe n THR 1524Ca 0.17 -0.54 -0.40 0.00 -2.27 0.00 0.00 64.05 61.01 1xwe n THR 1524Cb 0.65 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xwe s ILE 1525N -3.40 4.46 0.69 2.28 1.01 -1.26 -5.07 121.20 119.91 1xwe s ILE 1525Ca -0.02 1.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.28 1xwe s ILE 1525Cb 0.11 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.48 1xwe s ILE 1525CO 0.82 0.47 1.00 -0.55 0.00 0.00 0.00 174.94 176.67 1xwe s SER 1526N -0.78 4.91 0.30 3.58 0.15 -1.26 -4.98 113.70 115.62 1xwe s SER 1526Ca 0.37 0.47 0.26 0.00 0.70 0.00 0.00 55.95 57.75 1xwe s SER 1526Cb -0.23 -1.16 0.86 0.00 -1.71 0.00 0.00 66.02 63.78 1xwe s SER 1526CO 0.26 -1.53 1.76 0.00 1.20 0.00 0.00 173.24 174.92 1xwe h ALA 1527N -0.54 1.00 0.00 5.45 0.00 -1.94 -3.02 119.26 120.21 1xwe h ALA 1527Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xwe h ALA 1527Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xwe h ALA 1527CO 0.60 0.00 -1.31 0.39 0.00 0.00 0.00 179.25 178.93 1xwe n GLU 1528N -2.49 0.60 0.12 0.00 1.02 -1.26 -3.31 120.64 115.32 1xwe n GLU 1528Ca 0.04 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 1xwe n GLU 1528Cb 0.37 -1.72 0.09 0.00 -0.02 0.00 0.00 31.44 30.16 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 1.52 0.00 2.62 2.02 -1.91 -0.06 112.91 117.09 1xwe h THR 1529Ca 0.00 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.71 1xwe h THR 1529Cb 0.98 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1xwe h THR 1529CO 0.00 0.71 -0.98 -2.11 0.37 0.00 0.00 175.52 173.51 1xwe n ARG 1530N -3.68 0.19 -0.08 6.66 1.85 -1.23 -4.23 116.66 116.13 1xwe n ARG 1530Ca -0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 57.85 56.70 1xwe n ARG 1530Cb 0.70 -1.55 -0.14 0.00 -1.05 0.00 0.00 32.46 30.42 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 -1.79 0.68 0.23 2.89 0.00 -1.19 -4.08 118.16 114.90 1xwe n LYS 1531Ca 0.03 0.12 0.15 0.00 0.00 0.00 0.00 58.31 58.61 1xwe n LYS 1531Cb 0.40 -1.59 0.81 0.00 0.00 0.00 0.00 35.03 34.65 1xwe n LYS 1531CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.40 176.84 1xwe h GLN 1532N 0.01 0.00 0.00 1.64 3.07 -1.17 0.21 115.11 118.86 1xwe h GLN 1532Ca -0.49 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.15 1xwe h GLN 1532Cb 2.10 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.64 1xwe h GLN 1532CO 0.02 0.00 -1.35 2.41 0.09 0.00 0.00 178.83 180.00 1xwe n THR 1533N -2.55 0.88 -0.13 1.86 -1.04 -1.26 -3.68 114.28 108.36 1xwe n THR 1533Ca -0.02 -0.63 -0.09 0.00 -2.04 0.00 0.00 64.05 61.27 1xwe n THR 1533Cb 0.06 -0.52 -0.01 0.00 -1.82 0.00 0.00 70.33 68.04 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 1.67 0.50 -0.02 2.41 0.00 -0.72 -2.34 119.26 120.77 1xwe h ALA 1534Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xwe h ALA 1534Cb 1.34 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xwe h ALA 1534CO 0.02 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1xwe s LYS 1536N -1.99 4.16 0.24 0.00 2.20 -0.88 -4.91 119.74 118.57 1xwe s LYS 1536Ca 0.41 2.51 -0.05 0.00 -0.36 0.00 0.00 55.97 58.48 1xwe s LYS 1536Cb 0.21 -3.06 0.38 0.00 -1.51 0.00 0.00 37.83 33.85 1xwe s LYS 1536CO 0.34 -0.61 1.79 -1.35 -0.36 0.00 0.00 175.35 175.16 1xwe h PRO 1537N 5.41 0.65 0.00 4.03 0.11 -1.90 0.07 132.00 140.37 1xwe h PRO 1537Ca -0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1xwe h PRO 1537Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1xwe h PRO 1537CO 0.83 0.43 -0.04 1.49 -0.21 0.00 0.00 178.00 180.50 1xwe h GLU 1538N 0.67 0.00 -5.22 1.05 4.81 -1.93 -3.38 114.58 110.58 1xwe h GLU 1538Ca 0.38 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.95 1xwe h GLU 1538Cb 0.41 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.62 1xwe h GLU 1538CO -0.28 0.04 0.01 0.42 -0.73 0.00 0.00 179.01 178.47 1xwe s ILE 1539N -4.75 4.93 -0.03 2.32 -1.09 0.01 -3.59 121.20 118.99 1xwe s ILE 1539Ca -0.05 -0.01 -0.06 0.00 -2.23 0.00 0.00 60.65 58.31 1xwe s ILE 1539Cb 0.16 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 1xwe s ILE 1539CO 0.62 -0.51 0.36 0.00 -1.23 0.00 0.00 174.94 174.19 1xwe h ALA 1540N 8.79 -0.33 -2.53 9.38 0.00 -0.95 -3.42 119.26 130.20 1xwe h ALA 1540Ca -0.26 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 1xwe h ALA 1540Cb 1.10 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1xwe h ALA 1540CO 0.85 -0.32 -0.55 1.52 0.00 0.00 0.00 179.25 180.76 1xwe s TYR 1541N -2.23 3.16 -0.31 0.00 -0.85 -0.79 -4.61 117.35 111.72 1xwe s TYR 1541Ca -0.03 -0.04 -0.01 0.00 -0.52 0.00 0.00 57.07 56.47 1xwe s TYR 1541Cb 0.00 -1.49 0.13 0.00 0.38 0.00 0.00 41.96 40.99 1xwe s TYR 1541CO 0.09 0.52 0.26 0.00 -1.52 0.00 0.00 175.55 174.90 1xwe s ALA 1542N -1.87 -0.10 0.30 9.51 0.00 -0.96 -2.13 121.76 126.51 1xwe s ALA 1542Ca 0.32 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 1xwe s ALA 1542Cb -0.09 -1.73 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1xwe s ALA 1542CO 0.24 -1.80 0.57 1.52 0.00 0.00 0.00 175.76 176.30 1xwe s TYR 1543N 2.05 0.39 0.11 0.00 -0.85 -0.91 -1.44 117.35 116.71 1xwe s TYR 1543Ca 0.11 -0.80 0.06 0.00 -0.52 0.00 0.00 57.07 55.92 1xwe s TYR 1543Cb -0.15 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 1xwe s TYR 1543CO -0.26 -1.18 -0.04 -1.59 -1.52 0.00 0.00 175.55 170.96 1xwe s LYS 1544N -3.45 2.35 0.19 -3.49 -2.85 -0.91 -1.38 119.74 110.20 1xwe s LYS 1544Ca 0.21 -0.96 0.03 0.00 -1.00 0.00 0.00 55.97 54.26 1xwe s LYS 1544Cb -0.02 -2.41 -0.01 0.00 -2.06 0.00 0.00 37.83 33.32 1xwe s LYS 1544CO 0.12 0.51 0.18 1.33 0.10 0.00 0.00 175.35 177.59 1xwe n VAL 1545N 0.50 0.00 -3.57 1.79 0.24 -0.71 -0.90 118.33 115.69 1xwe n VAL 1545Ca -0.12 -1.31 -0.16 0.00 -2.04 0.00 0.00 64.34 60.72 1xwe n VAL 1545Cb 0.53 0.67 -0.13 0.00 -1.47 0.00 0.00 33.84 33.44 1xwe n VAL 1545CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1xwe s SER 1546N -2.29 0.85 0.46 -1.34 1.04 0.10 -1.90 113.70 110.61 1xwe s SER 1546Ca 0.21 0.18 -0.24 0.00 0.48 0.00 0.00 55.95 56.58 1xwe s SER 1546Cb 0.01 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.58 1xwe s SER 1546CO 0.15 -0.28 1.19 -0.38 0.98 0.00 0.00 173.24 174.90 1xwe n ILE 1547N 5.33 2.85 -0.11 -1.02 2.08 0.03 -1.54 119.36 126.98 1xwe n ILE 1547Ca -0.05 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.76 1xwe n ILE 1547Cb 0.50 -1.44 0.00 0.00 -0.75 0.00 0.00 39.64 37.95 1xwe n ILE 1547CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1xwe n THR 1548N -0.57 0.00 -3.50 1.39 5.66 -0.86 -0.91 114.28 115.49 1xwe n THR 1548Ca 0.09 -0.05 -0.11 0.00 -3.05 0.00 0.00 64.05 60.93 1xwe n THR 1548Cb 0.41 1.11 -0.03 0.00 -1.55 0.00 0.00 70.33 70.27 1xwe n THR 1548CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1xwe s SER 1549N -0.08 -0.44 -0.02 1.09 0.15 0.25 -4.82 113.70 109.83 1xwe s SER 1549Ca 0.00 0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.81 1xwe s SER 1549Cb 0.00 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1xwe s SER 1549CO 0.00 -0.64 -0.01 -0.63 1.20 0.00 0.00 173.24 173.16 1xwe s ILE 1550N -2.66 0.19 -0.07 6.45 1.01 -1.26 -1.56 121.20 123.30 1xwe s ILE 1550Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1xwe s ILE 1550Cb -0.01 -0.24 -0.00 0.00 0.01 0.00 0.00 42.46 42.22 1xwe s ILE 1550CO -0.06 0.11 -0.22 -0.89 0.00 0.00 0.00 174.94 173.88 1xwe s THR 1551N 0.59 1.88 -0.11 2.92 2.01 -0.43 -4.95 115.64 117.54 1xwe s THR 1551Ca -0.06 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 60.99 1xwe s THR 1551Cb -0.09 -1.61 0.02 0.00 0.01 0.00 0.00 72.50 70.83 1xwe s THR 1551CO -0.01 0.52 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.65 1xwe s VAL 1552N 0.06 1.24 0.00 3.82 1.01 -1.26 -0.54 120.40 124.72 1xwe s VAL 1552Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1xwe s VAL 1552Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1xwe s VAL 1552CO 0.05 0.40 0.00 1.21 0.00 0.00 0.00 175.10 176.76 1xwe n GLU 1553N 4.63 0.00 0.00 2.72 4.07 -1.23 -5.02 120.64 125.81 1xwe n GLU 1553Ca -0.16 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1xwe n GLU 1553Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 1xwe n GLU 1553CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1xwe n ASN 1554N -0.41 0.00 -0.06 4.31 5.03 -1.26 -5.00 115.26 117.87 1xwe n ASN 1554Ca 0.00 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.24 1xwe n ASN 1554Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 38.63 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1xwe n VAL 1555N -1.14 1.64 -3.59 2.41 0.31 -1.26 -4.92 118.33 111.79 1xwe n VAL 1555Ca 0.00 -0.51 -0.35 0.00 -0.01 0.00 0.00 64.34 63.47 1xwe n VAL 1555Cb 0.00 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.16 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 -2.51 3.60 -0.20 3.52 0.08 -1.26 -0.74 117.98 120.46 1xwe s PHE 1556Ca -0.28 0.79 -0.00 0.00 0.12 0.00 0.00 56.93 57.55 1xwe s PHE 1556Cb 0.08 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.39 1xwe s PHE 1556CO 0.67 0.54 -0.14 0.08 -0.10 0.00 0.00 175.22 176.27 1xwe s VAL 1557N -1.35 2.49 0.48 -0.44 1.01 -0.80 -3.53 120.40 118.26 1xwe s VAL 1557Ca 0.31 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 1xwe s VAL 1557Cb -0.14 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1xwe s VAL 1557CO 0.17 0.45 0.82 -0.54 0.00 0.00 0.00 175.10 176.00 1xwe s LYS 1558N 1.34 3.64 -0.11 2.72 3.01 0.30 -1.88 119.74 128.75 1xwe s LYS 1558Ca 0.04 0.38 -0.04 0.00 -1.01 0.00 0.00 55.97 55.35 1xwe s LYS 1558Cb -0.14 -2.33 0.06 0.00 -1.01 0.00 0.00 37.83 34.40 1xwe s LYS 1558CO -0.09 -0.20 0.19 0.71 0.51 0.00 0.00 175.35 176.47 1xwe s TYR 1559N -2.68 -0.25 -0.27 3.18 2.02 0.80 -1.31 117.35 118.84 1xwe s TYR 1559Ca 0.50 0.67 -0.11 0.00 -0.37 0.00 0.00 57.07 57.77 1xwe s TYR 1559Cb -0.10 -0.21 -0.05 0.00 -0.40 0.00 0.00 41.96 41.20 1xwe s TYR 1559CO 0.41 -0.32 0.18 0.15 -1.57 0.00 0.00 175.55 174.40 1xwe s LYS 1560N 2.33 3.97 0.13 -0.62 -0.14 -0.60 -1.53 119.74 123.29 1xwe s LYS 1560Ca 0.03 -0.31 -0.00 0.00 -1.36 0.00 0.00 55.97 54.33 1xwe s LYS 1560Cb -0.12 -3.63 -0.04 0.00 -1.68 0.00 0.00 37.83 32.35 1xwe s LYS 1560CO -0.07 -0.13 0.03 0.00 -0.76 0.00 0.00 175.35 174.42 1xwe s ALA 1561N 1.61 0.95 -0.13 5.17 0.00 -0.93 -0.58 121.76 127.84 1xwe s ALA 1561Ca 0.07 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 1xwe s ALA 1561Cb -0.15 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 1xwe s ALA 1561CO 0.10 -0.42 -0.11 0.99 0.00 0.00 0.00 175.76 176.31 1xwe s THR 1562N -3.92 3.25 0.22 0.00 2.01 -0.59 -2.39 115.64 114.22 1xwe s THR 1562Ca 0.22 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1xwe s THR 1562Cb 0.07 -2.37 -0.10 0.00 0.01 0.00 0.00 72.50 70.12 1xwe s THR 1562CO 0.01 0.53 1.42 -0.22 -0.69 0.00 0.00 174.62 175.66 1xwe s LEU 1563N 0.22 4.39 -0.21 4.42 0.20 -1.07 -0.72 118.68 125.91 1xwe s LEU 1563Ca -0.07 2.59 -0.21 0.00 0.69 0.00 0.00 54.13 57.13 1xwe s LEU 1563Cb -0.15 -3.62 -0.19 0.00 -0.43 0.00 0.00 46.19 41.80 1xwe s LEU 1563CO 0.05 -0.67 0.20 0.18 -0.29 0.00 0.00 176.35 175.82 1xwe n LEU 1564N 2.61 1.88 -3.64 -0.68 4.77 -0.08 -2.90 117.00 118.95 1xwe n LEU 1564Ca 0.07 0.41 -0.09 0.00 -0.03 0.00 0.00 56.01 56.38 1xwe n LEU 1564Cb 0.41 -0.97 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 1xwe n LEU 1564CO 0.60 0.30 0.68 -0.62 -1.33 0.00 0.00 177.39 177.02 1xwe s ASP 1565N -6.88 -0.51 -0.12 -1.43 -1.08 -0.99 -4.46 116.67 101.20 1xwe s ASP 1565Ca -0.29 0.95 -0.14 0.00 -0.52 0.00 0.00 52.55 52.55 1xwe s ASP 1565Cb 0.06 1.00 -0.05 0.00 -1.46 0.00 0.00 42.92 42.48 1xwe s ASP 1565CO 0.59 -0.16 0.33 -0.63 0.52 0.00 0.00 175.17 175.82 1xwe s ILE 1566N 0.43 5.26 -0.12 4.11 1.01 -1.26 -2.15 121.20 128.47 1xwe s ILE 1566Ca 0.01 0.64 0.14 0.00 0.00 0.00 0.00 60.65 61.44 1xwe s ILE 1566Cb -0.05 -3.66 -0.20 0.00 0.01 0.00 0.00 42.46 38.56 1xwe s ILE 1566CO -0.07 0.42 0.35 -1.22 0.00 0.00 0.00 174.94 174.42 1xwe n TYR 1567N 3.20 0.00 -3.56 3.97 4.02 -0.61 -4.93 117.16 119.25 1xwe n TYR 1567Ca -0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.71 1xwe n TYR 1567Cb 0.52 -0.26 -0.07 0.00 -0.02 0.00 0.00 39.34 39.50 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 -2.85 0.40 0.69 -0.72 2.20 -0.52 -4.94 119.74 114.01 1xwe s LYS 1568Ca -0.03 1.04 -0.17 0.00 -0.36 0.00 0.00 55.97 56.44 1xwe s LYS 1568Cb 0.09 0.33 -0.08 0.00 -1.51 0.00 0.00 37.83 36.65 1xwe s LYS 1568CO 0.57 -0.34 0.20 2.41 -0.36 0.00 0.00 175.35 177.83 1xwe n THR 1569N 5.40 1.14 1.52 3.43 -1.04 -1.26 -2.26 114.28 121.22 1xwe n THR 1569Ca -0.08 -0.44 0.14 0.00 -2.04 0.00 0.00 64.05 61.63 1xwe n THR 1569Cb 0.50 -0.45 0.65 0.00 -1.82 0.00 0.00 70.33 69.20 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 2.11 -0.77 2.97 3.41 0.00 -1.26 -3.99 105.19 107.66 1xwe n GLY 1570Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 1xwe n GLY 1570CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xwe n GLU 1571N -0.74 -1.99 0.00 1.61 2.13 -1.26 -4.54 120.64 115.85 1xwe n GLU 1571Ca 0.17 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1xwe n GLU 1571Cb 0.26 -4.96 0.00 0.00 0.27 0.00 0.00 31.44 27.01 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xwe n ALA 1572N 0.99 2.28 -2.61 4.31 0.00 -1.26 -5.02 120.51 119.20 1xwe n ALA 1572Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.42 1xwe n ALA 1572Cb 0.49 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.42 0.39 -2.78 0.00 3.14 -1.26 -5.10 118.33 111.31 1xwe n VAL 1573Ca 0.00 -1.45 -0.43 0.00 -2.96 0.00 0.00 64.34 59.51 1xwe n VAL 1573Cb 0.00 1.02 -0.03 0.00 -1.06 0.00 0.00 33.84 33.77 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 -1.13 3.50 -0.03 1.55 0.00 -1.26 -5.00 121.76 119.40 1xwe s ALA 1574Ca 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.90 1xwe s ALA 1574Cb 0.34 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1xwe s ALA 1574CO -0.09 -1.40 -0.12 -1.21 0.00 0.00 0.00 175.76 172.94 1xwe s GLU 1575N 3.36 1.21 -0.10 0.00 2.02 -1.26 -4.48 118.70 119.45 1xwe s GLU 1575Ca 0.39 -0.44 -0.36 0.00 0.02 0.00 0.00 54.97 54.58 1xwe s GLU 1575Cb -0.13 -1.11 -0.14 0.00 0.10 0.00 0.00 34.13 32.85 1xwe s GLU 1575CO 0.15 0.20 1.74 0.36 0.02 0.00 0.00 175.26 177.73 1xwe n LYS 1576N 3.08 1.71 -3.20 1.61 2.85 -1.26 -1.03 118.16 121.92 1xwe n LYS 1576Ca -0.17 0.62 -0.15 0.00 -1.05 0.00 0.00 58.31 57.56 1xwe n LYS 1576Cb 0.54 -2.38 0.06 0.00 -0.65 0.00 0.00 35.03 32.60 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 5.35 -4.33 -1.90 -5.58 2.03 -1.14 -5.02 116.55 105.97 1xwe n ASP 1577Ca 0.23 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.15 1xwe n ASP 1577Cb 0.23 -3.65 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1xwe n SER 1578N -1.83 0.00 -4.18 1.67 3.41 -0.20 -4.68 113.62 107.81 1xwe n SER 1578Ca -0.04 -0.80 -0.37 0.00 -0.26 0.00 0.00 58.87 57.40 1xwe n SER 1578Cb 0.56 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.39 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1xwe s GLU 1579N -1.69 2.31 0.03 4.33 2.12 -1.26 -2.59 118.70 121.95 1xwe s GLU 1579Ca 0.00 -1.52 -0.01 0.00 0.36 0.00 0.00 54.97 53.80 1xwe s GLU 1579Cb 0.00 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1xwe s GLU 1579CO 0.00 -0.88 0.17 0.96 -0.54 0.00 0.00 175.26 174.98 1xwe s ILE 1580N 1.26 5.26 -0.29 -3.70 -4.36 -1.01 -5.03 121.20 113.34 1xwe s ILE 1580Ca 0.02 -0.35 -0.04 0.00 -0.26 0.00 0.00 60.65 60.03 1xwe s ILE 1580Cb -0.22 -3.51 0.10 0.00 1.25 0.00 0.00 42.46 40.09 1xwe s ILE 1580CO -0.01 0.23 0.14 -0.89 0.24 0.00 0.00 174.94 174.64 1xwe s THR 1581N -1.40 -0.09 -0.07 8.37 2.01 -1.26 -2.19 115.64 121.02 1xwe s THR 1581Ca 0.30 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 1xwe s THR 1581Cb -0.13 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1xwe s THR 1581CO 0.23 -0.70 0.37 -0.36 -0.69 0.00 0.00 174.62 173.47 1xwe s PHE 1582N 2.11 3.62 0.06 4.92 0.40 -0.58 -1.15 117.98 127.36 1xwe s PHE 1582Ca 0.09 0.85 0.08 0.00 -0.60 0.00 0.00 56.93 57.34 1xwe s PHE 1582Cb -0.16 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1xwe s PHE 1582CO -0.36 0.49 -0.22 0.96 0.70 0.00 0.00 175.22 176.79 1xwe s ILE 1583N -0.46 1.76 0.00 0.64 -4.36 -0.81 -0.14 121.20 117.83 1xwe s ILE 1583Ca 0.22 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1xwe s ILE 1583Cb -0.15 -1.54 0.00 0.00 1.25 0.00 0.00 42.46 42.01 1xwe s ILE 1583CO 0.10 0.16 0.00 2.29 0.24 0.00 0.00 174.94 177.73 1xwe n LYS 1584N 1.63 0.06 -2.11 0.37 2.85 -0.79 -2.54 118.16 117.63 1xwe n LYS 1584Ca -0.18 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 56.98 1xwe n LYS 1584Cb 0.53 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.94 1xwe n LYS 1584CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1xwe n LYS 1585N 0.00 0.85 0.03 -1.58 4.01 -1.26 -1.90 118.16 118.31 1xwe n LYS 1585Ca 0.00 -1.59 -0.06 0.00 -0.51 0.00 0.00 58.31 56.15 1xwe n LYS 1585Cb 0.00 -0.07 -0.11 0.00 -0.51 0.00 0.00 35.03 34.34 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 0.14 1.13 -0.06 -0.18 3.04 -1.29 -3.27 116.25 115.76 1xwe h VAL 1586Ca -0.14 -2.85 0.00 0.00 -1.01 0.00 0.00 66.70 62.70 1xwe h VAL 1586Cb 0.63 2.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.44 1xwe h VAL 1586CO 0.21 0.64 0.00 0.35 -1.01 0.00 0.00 177.57 177.76 1xwe n THR 1587N -3.15 0.08 -0.35 3.17 -2.24 -1.26 -3.81 114.28 106.71 1xwe n THR 1587Ca -0.08 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1xwe n THR 1587Cb 0.96 -0.05 0.09 0.00 -2.10 0.00 0.00 70.33 69.23 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe h THR 1589N 0.63 0.41 0.54 0.00 1.03 -1.85 -2.17 112.91 111.50 1xwe h THR 1589Ca 0.35 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.72 1xwe h THR 1589Cb 1.83 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 1xwe h THR 1589CO 0.65 0.00 -0.28 0.78 -0.01 0.00 0.00 175.52 176.66 1xwe h ASN 1590N 0.00 -0.67 -2.07 0.00 4.21 -1.80 -3.38 115.58 111.87 1xwe h ASN 1590Ca 0.13 0.03 -0.51 0.00 1.21 0.00 0.00 56.30 57.16 1xwe h ASN 1590Cb 0.76 0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 38.11 1xwe h ASN 1590CO -0.00 -0.46 1.39 0.00 -1.29 0.00 0.00 177.43 177.06 1xwe s ALA 1591N -6.07 2.24 0.02 -0.83 0.00 -0.82 -4.85 121.76 111.46 1xwe s ALA 1591Ca -0.17 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.50 1xwe s ALA 1591Cb 0.04 -4.24 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 1xwe s ALA 1591CO 0.63 -3.69 0.02 -1.21 0.00 0.00 0.00 175.76 171.51 1xwe s GLU 1592N 6.93 2.80 0.24 0.00 2.02 -1.26 -4.99 118.70 124.44 1xwe s GLU 1592Ca 0.76 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 55.13 1xwe s GLU 1592Cb -0.16 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1xwe s GLU 1592CO 0.25 0.61 0.07 -0.51 0.02 0.00 0.00 175.26 175.70 1xwe s LEU 1593N -1.80 1.76 -0.04 1.80 1.43 -1.26 -5.10 118.68 115.46 1xwe s LEU 1593Ca 0.22 -1.34 0.01 0.00 -1.03 0.00 0.00 54.13 52.00 1xwe s LEU 1593Cb -0.12 -0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.10 1xwe s LEU 1593CO 0.13 -0.69 -0.06 -0.69 0.23 0.00 0.00 176.35 175.27 1xwe s VAL 1594N -3.71 0.65 -0.41 -1.59 1.01 -1.26 -5.10 120.40 110.00 1xwe s VAL 1594Ca 0.35 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.84 1xwe s VAL 1594Cb 0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1xwe s VAL 1594CO 0.12 0.24 1.80 -0.75 0.00 0.00 0.00 175.10 176.51 1xwe s LYS 1595N 0.74 3.15 0.00 2.72 2.20 -1.26 -1.78 119.74 125.51 1xwe s LYS 1595Ca -0.11 1.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1xwe s LYS 1595Cb -0.14 -4.24 0.00 0.00 -1.51 0.00 0.00 37.83 31.94 1xwe s LYS 1595CO 0.01 -2.08 0.00 0.41 -0.36 0.00 0.00 175.35 173.33 1xwe n GLY 1596N 5.48 1.00 3.94 5.54 0.00 -0.09 -4.92 105.19 116.14 1xwe n GLY 1596Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.70 3.35 -0.16 1.61 6.06 -0.73 -4.83 118.95 123.56 1xwe s ARG 1597Ca 0.00 -0.77 -0.07 0.00 -2.50 0.00 0.00 55.73 52.39 1xwe s ARG 1597Cb 0.00 -2.85 -0.04 0.00 0.06 0.00 0.00 34.95 32.12 1xwe s ARG 1597CO 0.00 0.44 0.07 -0.65 -2.50 0.00 0.00 175.30 172.67 1xwe s GLN 1598N -3.80 3.77 0.01 5.12 -0.21 -1.26 -0.79 119.66 122.49 1xwe s GLN 1598Ca 0.34 -0.30 -0.00 0.00 0.02 0.00 0.00 55.36 55.42 1xwe s GLN 1598Cb -0.09 -3.17 -0.01 0.00 1.00 0.00 0.00 33.01 30.74 1xwe s GLN 1598CO 0.28 0.43 -0.01 0.71 -2.12 0.00 0.00 175.29 174.58 1xwe s TYR 1599N -0.06 0.11 -0.21 0.91 2.02 -0.80 -1.72 117.35 117.60 1xwe s TYR 1599Ca 0.07 -0.23 -0.21 0.00 -0.37 0.00 0.00 57.07 56.33 1xwe s TYR 1599Cb -0.12 -0.08 -0.02 0.00 -0.40 0.00 0.00 41.96 41.33 1xwe s TYR 1599CO 0.01 -0.08 0.63 -1.17 -1.57 0.00 0.00 175.55 173.36 1xwe s LEU 1600N -0.64 4.12 -0.14 -1.29 2.96 -0.17 -1.73 118.68 121.79 1xwe s LEU 1600Ca -0.07 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.64 1xwe s LEU 1600Cb -0.04 -2.88 -0.01 0.00 0.50 0.00 0.00 46.19 43.76 1xwe s LEU 1600CO -0.00 -0.30 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.95 1xwe s ILE 1601N 2.06 2.80 -0.12 6.68 1.01 -0.48 -2.00 121.20 131.16 1xwe s ILE 1601Ca 0.28 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 1xwe s ILE 1601Cb -0.16 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.20 1xwe s ILE 1601CO 0.10 0.52 0.20 -0.04 0.00 0.00 0.00 174.94 175.71 1xwe s MET 1602N 0.63 0.09 0.00 2.79 -1.94 -0.69 -2.14 119.30 118.03 1xwe s MET 1602Ca -0.08 0.54 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1xwe s MET 1602Cb -0.16 -0.39 0.00 0.00 2.01 0.00 0.00 34.83 36.30 1xwe s MET 1602CO 0.03 -0.36 0.00 0.41 -0.01 0.00 0.00 175.02 175.08 1xwe n GLY 1603N 5.33 -0.70 3.49 -0.03 0.00 -0.90 -1.45 105.19 110.93 1xwe n GLY 1603Ca -0.05 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 0.64 -0.35 1.61 4.76 -1.24 -0.44 118.16 123.15 1xwe n LYS 1604Ca 0.00 0.24 -0.14 0.00 -2.87 0.00 0.00 58.31 55.55 1xwe n LYS 1604Cb 0.00 -1.75 0.12 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 -0.02 -2.46 -2.31 1.97 0.28 -1.26 -4.66 120.64 112.18 1xwe n GLU 1605Ca 0.12 -0.75 -0.33 0.00 -0.16 0.00 0.00 57.16 56.03 1xwe n GLU 1605Cb 0.45 -0.79 -0.02 0.00 1.43 0.00 0.00 31.44 32.51 1xwe n GLU 1605CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwe s ALA 1606N -2.67 2.89 1.02 -1.84 0.00 -1.26 -4.71 121.76 115.18 1xwe s ALA 1606Ca 0.32 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.64 1xwe s ALA 1606Cb -0.04 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1xwe s ALA 1606CO 0.25 -0.46 0.06 1.28 0.00 0.00 0.00 175.76 176.90 1xwe n LEU 1607N -1.57 0.00 -3.32 0.00 4.77 0.13 -4.92 117.00 112.08 1xwe n LEU 1607Ca 0.08 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1xwe n LEU 1607Cb 0.53 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1xwe n LEU 1607CO 0.45 -1.18 -0.09 -1.10 -1.33 0.00 0.00 177.39 174.14 1xwe s GLN 1608N -3.15 0.58 -0.04 3.23 -0.21 -1.26 -4.48 119.66 114.33 1xwe s GLN 1608Ca 0.04 -0.42 -0.12 0.00 0.02 0.00 0.00 55.36 54.88 1xwe s GLN 1608Cb -0.00 -0.46 -0.31 0.00 1.00 0.00 0.00 33.01 33.23 1xwe s GLN 1608CO 0.03 -1.14 0.69 0.82 -2.12 0.00 0.00 175.29 173.58 1xwe h ILE 1609N 5.46 0.97 -0.30 1.08 1.08 -1.87 -3.50 117.51 120.42 1xwe h ILE 1609Ca -0.00 -2.52 0.02 0.00 -0.39 0.00 0.00 64.86 61.96 1xwe h ILE 1609Cb 1.10 2.79 -0.00 0.00 -3.07 0.00 0.00 36.82 37.63 1xwe h ILE 1609CO 0.21 0.85 -0.02 2.29 -0.69 0.00 0.00 178.15 180.79 1xwe n LYS 1610N -3.61 -0.12 0.06 2.37 -0.00 -1.26 -4.83 118.16 110.76 1xwe n LYS 1610Ca -0.24 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.15 1xwe n LYS 1610Cb 1.08 -0.15 0.00 0.00 -0.00 0.00 0.00 35.03 35.96 1xwe n LYS 1610CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1xwe n TYR 1611N -0.48 -2.37 0.00 5.58 9.36 -1.26 -4.34 117.16 123.64 1xwe n TYR 1611Ca 0.00 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1xwe n TYR 1611Cb 0.03 1.23 0.00 0.00 -0.63 0.00 0.00 39.34 39.96 1xwe n TYR 1611CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1xwe n ASN 1612N -2.70 1.13 0.00 2.98 2.85 -1.26 -4.97 115.26 113.29 1xwe n ASN 1612Ca 0.00 -0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1xwe n ASN 1612Cb 0.00 0.33 0.00 0.00 1.24 0.00 0.00 39.78 41.35 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xwe n ALA 1613N -0.45 0.00 -3.17 5.20 0.00 -1.26 -5.11 120.51 115.72 1xwe n ALA 1613Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1xwe n ALA 1613Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1xwe n ALA 1613CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1xwe s SER 1614N -0.92 -0.31 0.00 0.00 1.04 -1.26 -4.98 113.70 107.27 1xwe s SER 1614Ca 0.00 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1xwe s SER 1614Cb 0.00 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.40 1xwe s SER 1614CO 0.00 -0.06 0.00 0.33 0.98 0.00 0.00 173.24 174.49 1xwe n PHE 1615N 5.33 0.00 -3.85 5.02 7.35 -1.26 -4.77 117.46 125.28 1xwe n PHE 1615Ca -0.08 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.50 1xwe n PHE 1615Cb 0.54 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.26 1xwe n PHE 1615CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1xwe s ARG 1616N 0.00 0.39 -0.62 -4.13 6.06 -1.26 -4.88 118.95 114.51 1xwe s ARG 1616Ca 0.00 -0.18 0.06 0.00 -2.50 0.00 0.00 55.73 53.11 1xwe s ARG 1616Cb 0.00 0.17 0.25 0.00 0.06 0.00 0.00 34.95 35.42 1xwe s ARG 1616CO 0.00 -0.09 0.72 0.66 -2.50 0.00 0.00 175.30 174.10 1xwe n TYR 1617N 1.96 3.34 -0.71 5.12 4.02 -1.26 -2.33 117.16 127.29 1xwe n TYR 1617Ca -0.19 -4.12 -0.25 0.00 -0.01 0.00 0.00 57.90 53.33 1xwe n TYR 1617Cb 0.57 -0.54 0.22 0.00 -0.02 0.00 0.00 39.34 39.56 1xwe n TYR 1617CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 1xwe n ILE 1618N 0.93 0.00 -4.64 -0.72 -5.35 -1.26 -4.48 119.36 103.84 1xwe n ILE 1618Ca 0.29 -0.27 -0.24 0.00 -0.27 0.00 0.00 62.75 62.26 1xwe n ILE 1618Cb 0.42 -1.08 -0.16 0.00 -1.74 0.00 0.00 39.64 37.08 1xwe n ILE 1618CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1xwe s TYR 1619N -2.41 1.40 0.89 4.28 1.51 -0.30 -0.69 117.35 122.02 1xwe s TYR 1619Ca 0.58 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 56.10 1xwe s TYR 1619Cb -0.07 -0.97 0.13 0.00 -0.11 0.00 0.00 41.96 40.94 1xwe s TYR 1619CO 0.45 -0.15 1.19 -1.25 -1.11 0.00 0.00 175.55 174.68 1xwe s PRO 1620N 0.17 1.30 -0.27 -1.71 0.04 -1.26 -1.93 135.00 131.35 1xwe s PRO 1620Ca -0.05 0.07 -0.01 0.00 0.04 0.00 0.00 61.00 61.05 1xwe s PRO 1620Cb -0.11 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.69 1xwe s PRO 1620CO 0.02 -2.04 0.37 -1.17 0.04 0.00 0.00 177.00 174.21 1xwe s LEU 1621N -5.85 -0.60 0.00 -3.56 2.96 -1.05 -4.60 118.68 105.98 1xwe s LEU 1621Ca 0.65 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1xwe s LEU 1621Cb -0.11 0.98 0.00 0.00 0.50 0.00 0.00 46.19 47.56 1xwe s LEU 1621CO 0.51 -0.34 0.00 0.47 -1.32 0.00 0.00 176.35 175.68 1xwe n ASP 1622N 5.35 0.23 0.06 3.68 8.00 -1.26 -4.69 116.55 127.93 1xwe n ASP 1622Ca -0.02 -0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 1xwe n ASP 1622Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1xwe h SER 1623N 0.00 0.45 0.55 -2.24 0.87 -1.94 -3.03 113.55 108.22 1xwe h SER 1623Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1xwe h SER 1623Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1xwe h SER 1623CO 0.00 1.09 0.00 0.17 -0.53 0.00 0.00 176.83 177.56 1xwe h LEU 1624N 0.23 0.00 -8.94 2.23 -0.00 -1.97 -3.43 115.31 103.43 1xwe h LEU 1624Ca -0.05 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.26 1xwe h LEU 1624Cb 1.43 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.05 1xwe h LEU 1624CO 0.14 0.00 1.13 -0.89 -0.00 0.00 0.00 178.44 178.82 1xwe s THR 1625N -3.46 3.75 -0.42 0.15 2.01 -1.15 -4.83 115.64 111.69 1xwe s THR 1625Ca 0.02 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.54 1xwe s THR 1625Cb 0.09 -3.86 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1xwe s THR 1625CO 0.36 -0.44 1.42 0.86 -0.69 0.00 0.00 174.62 176.13 1xwe s TRP 1626N 5.51 2.38 -0.13 4.92 -0.11 -0.53 -4.90 118.94 126.09 1xwe s TRP 1626Ca 0.69 0.66 0.01 0.00 1.22 0.00 0.00 56.10 58.69 1xwe s TRP 1626Cb -0.21 -4.32 0.02 0.00 -1.50 0.00 0.00 33.47 27.46 1xwe s TRP 1626CO 0.30 -1.99 -0.16 0.42 -4.62 0.00 0.00 176.95 170.90 1xwe s ILE 1627N 5.50 1.64 0.09 5.86 1.01 -1.24 -1.71 121.20 132.34 1xwe s ILE 1627Ca 0.61 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.63 1xwe s ILE 1627Cb -0.13 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1xwe s ILE 1627CO 0.32 0.47 -0.20 -0.70 0.00 0.00 0.00 174.94 174.83 1xwe s GLU 1628N 1.15 1.12 -0.01 2.79 2.12 -0.85 -4.28 118.70 120.74 1xwe s GLU 1628Ca -0.02 -1.10 -0.29 0.00 0.36 0.00 0.00 54.97 53.92 1xwe s GLU 1628Cb -0.14 -1.32 -0.03 0.00 0.26 0.00 0.00 34.13 32.89 1xwe s GLU 1628CO -0.05 0.31 0.95 -0.47 -0.54 0.00 0.00 175.26 175.46 1xwe s TYR 1629N -1.12 3.65 -0.64 5.30 6.14 -1.26 -1.00 117.35 128.43 1xwe s TYR 1629Ca 0.05 1.65 -0.06 0.00 0.64 0.00 0.00 57.07 59.35 1xwe s TYR 1629Cb -0.10 -3.09 0.17 0.00 0.42 0.00 0.00 41.96 39.36 1xwe s TYR 1629CO 0.04 0.00 0.49 -0.46 0.64 0.00 0.00 175.55 176.26 1xwe s TRP 1630N 0.97 3.50 -0.55 4.97 -0.11 -0.70 -4.90 118.94 122.12 1xwe s TRP 1630Ca 0.50 -2.42 -0.29 0.00 1.22 0.00 0.00 56.10 55.11 1xwe s TRP 1630Cb -0.21 -3.38 -0.11 0.00 -1.50 0.00 0.00 33.47 28.27 1xwe s TRP 1630CO 0.27 -0.90 2.42 -2.30 -4.62 0.00 0.00 176.95 171.82 1xwe n PRO 1631N 3.84 0.90 0.21 5.86 -0.02 -1.26 -4.44 135.00 140.08 1xwe n PRO 1631Ca 0.07 0.10 0.09 0.00 -2.02 0.00 0.00 63.50 61.74 1xwe n PRO 1631Cb 0.40 -2.81 0.33 0.00 -0.02 0.00 0.00 33.50 31.41 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 16.12 0.00 -6.15 -0.52 2.43 -1.95 -3.44 114.38 120.87 1xwe h ARG 1632Ca -0.22 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.38 1xwe h ARG 1632Cb 1.29 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.79 1xwe h ARG 1632CO 1.16 0.24 -0.02 0.34 -1.51 0.00 0.00 179.97 180.18 1xwe s ASP 1633N -6.22 7.01 0.00 -3.80 -1.08 -1.26 -4.93 116.67 106.39 1xwe s ASP 1633Ca 0.02 1.21 0.00 0.00 -0.52 0.00 0.00 52.55 53.26 1xwe s ASP 1633Cb 0.09 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 39.18 1xwe s ASP 1633CO 0.66 0.18 0.38 0.35 0.52 0.00 0.00 175.17 177.26 1xwe n THR 1634N 2.28 0.00 -0.42 1.71 -2.24 -1.26 -4.46 114.28 109.89 1xwe n THR 1634Ca -0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1xwe n THR 1634Cb 0.51 1.10 0.32 0.00 -2.10 0.00 0.00 70.33 70.16 1xwe n THR 1634CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xwe n THR 1635N 0.00 1.19 -4.10 4.28 -2.24 -1.26 -4.62 114.28 107.52 1xwe n THR 1635Ca 0.00 -1.05 -0.24 0.00 -2.27 0.00 0.00 64.05 60.49 1xwe n THR 1635Cb 0.45 0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe s SER 1637N -3.55 6.49 -0.72 0.00 0.15 -1.26 -3.45 113.70 111.35 1xwe s SER 1637Ca 0.32 2.63 -0.06 0.00 0.70 0.00 0.00 55.95 59.54 1xwe s SER 1637Cb -0.09 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1xwe s SER 1637CO 0.24 -0.99 0.64 -1.54 1.20 0.00 0.00 173.24 172.79 1xwe n SER 1638N 6.32 -6.03 0.00 5.45 3.41 -1.26 -4.90 113.62 116.61 1xwe n SER 1638Ca 0.18 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 1xwe n SER 1638Cb 0.40 -3.02 0.00 0.00 -0.26 0.00 0.00 64.21 61.33 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n GLN 1640N 0.00 2.06 0.24 0.00 0.00 -1.26 -4.17 117.38 114.24 1xwe n GLN 1640Ca 0.00 -1.57 0.09 0.00 0.00 0.00 0.00 57.00 55.53 1xwe n GLN 1640Cb 0.00 -1.47 0.58 0.00 0.00 0.00 0.00 30.24 29.36 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xwe h ALA 1641N 4.56 1.32 0.00 2.61 0.00 -1.95 -2.44 119.26 123.36 1xwe h ALA 1641Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1xwe h ALA 1641Cb 0.82 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1xwe h ALA 1641CO 0.00 0.25 -0.85 0.35 0.00 0.00 0.00 179.25 179.00 1xwe h PHE 1642N 0.00 0.15 0.00 0.00 3.57 -1.94 -2.99 116.94 115.72 1xwe h PHE 1642Ca -0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1xwe h PHE 1642Cb 0.46 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1xwe h PHE 1642CO 0.00 0.90 0.00 1.28 -2.23 0.00 0.00 178.31 178.26 1xwe n LEU 1643N -3.61 0.00 -0.07 0.59 7.99 -0.92 -3.39 117.00 117.59 1xwe n LEU 1643Ca -0.02 0.02 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 1xwe n LEU 1643Cb 0.80 -0.02 -0.07 0.00 -0.11 0.00 0.00 43.42 44.02 1xwe n LEU 1643CO 0.46 -0.01 0.00 0.00 -1.51 0.00 0.00 177.39 176.34 1xwe h ALA 1644N 3.38 0.04 0.00 -1.18 0.00 -1.54 -3.28 119.26 116.69 1xwe h ALA 1644Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xwe h ALA 1644Cb 0.02 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xwe h ALA 1644CO 0.00 0.19 0.00 -2.95 0.00 0.00 0.00 179.25 176.49 1xwe h ASN 1645N -1.00 0.00 0.68 0.00 7.08 -1.70 -0.89 115.58 119.75 1xwe h ASN 1645Ca -0.06 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 52.96 1xwe h ASN 1645Cb 0.65 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.87 1xwe h ASN 1645CO -0.04 0.00 -0.92 -0.07 -2.08 0.00 0.00 177.43 174.33 1xwe h LEU 1646N 0.00 0.20 -0.84 6.14 4.07 -1.66 -3.23 115.31 119.98 1xwe h LEU 1646Ca 0.00 -0.17 -0.06 0.00 0.08 0.00 0.00 57.88 57.73 1xwe h LEU 1646Cb 0.11 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 1xwe h LEU 1646CO 0.00 1.01 0.20 -0.78 -1.08 0.00 0.00 178.44 177.79 1xwe h ASP 1647N 0.07 1.00 0.08 -0.43 1.82 -1.21 -1.03 116.42 116.72 1xwe h ASP 1647Ca -0.04 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 1xwe h ASP 1647Cb 1.58 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1xwe h ASP 1647CO 0.14 0.94 0.00 -0.62 -1.61 0.00 0.00 179.24 178.08 1xwe n GLU 1648N -4.25 0.65 -0.08 0.28 4.71 -1.22 -2.72 120.64 118.00 1xwe n GLU 1648Ca 0.05 0.02 -0.09 0.00 -0.01 0.00 0.00 57.16 57.13 1xwe n GLU 1648Cb 0.23 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 29.03 1xwe n GLU 1648CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1xwe n PHE 1649N -1.06 0.00 0.00 -0.32 7.35 -0.46 -4.20 117.46 118.78 1xwe n PHE 1649Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1xwe n PHE 1649Cb 0.10 -0.83 0.00 0.00 0.35 0.00 0.00 39.48 39.10 1xwe n PHE 1649CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwe n ALA 1650N -2.66 -0.10 0.06 3.13 0.00 -0.78 -2.71 120.51 117.44 1xwe n ALA 1650Ca -0.28 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.16 1xwe n ALA 1650Cb 1.04 0.01 0.03 0.00 0.00 0.00 0.00 19.45 20.52 1xwe n ALA 1650CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xwe n GLU 1651N -0.84 0.02 0.00 0.00 2.13 -1.25 -1.65 120.64 119.05 1xwe n GLU 1651Ca 0.00 0.22 0.11 0.00 0.66 0.00 0.00 57.16 58.15 1xwe n GLU 1651Cb 0.00 -1.50 0.53 0.00 0.27 0.00 0.00 31.44 30.74 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 -1.23 0.00 -0.04 4.31 2.03 -1.10 -2.33 116.55 118.19 1xwe n ASP 1652Ca 0.01 0.11 -0.06 0.00 0.52 0.00 0.00 54.79 55.36 1xwe n ASP 1652Cb 0.01 -0.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.04 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 -1.34 0.42 -0.09 5.18 3.06 -0.66 -4.08 119.36 121.86 1xwe n ILE 1653Ca 0.09 -0.15 -0.12 0.00 -2.50 0.00 0.00 62.75 60.07 1xwe n ILE 1653Cb 0.19 -0.96 -0.05 0.00 0.54 0.00 0.00 39.64 39.37 1xwe n ILE 1653CO 0.00 0.00 0.00 -0.26 -2.50 0.00 0.00 176.55 173.79 1xwe h PHE 1654N -0.07 0.60 -0.00 9.51 0.04 -1.67 0.17 116.94 125.53 1xwe h PHE 1654Ca -0.17 -0.15 -0.10 0.00 2.80 0.00 0.00 57.97 60.35 1xwe h PHE 1654Cb 1.24 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 39.25 1xwe h PHE 1654CO 0.00 0.78 -0.41 1.25 -0.60 0.00 0.00 178.31 179.33 1xwe h LEU 1655N 0.26 0.36 0.00 1.54 5.85 -1.75 -3.39 115.31 118.17 1xwe h LEU 1655Ca 0.06 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1xwe h LEU 1655Cb 0.61 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1xwe h LEU 1655CO 0.03 1.09 0.00 0.59 -0.34 0.00 0.00 178.44 179.81 1xwe n ASN 1656N -4.38 0.00 -1.36 1.25 3.02 -1.24 -5.08 115.26 107.48 1xwe n ASN 1656Ca -0.10 0.51 -0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1xwe n ASN 1656Cb 0.58 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1xwe n ASN 1656CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwe n GLY 1657N 1.40 -3.44 0.13 7.41 0.00 0.60 -5.02 105.19 106.27 1xwe n GLY 1657Ca 0.00 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.82 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32