#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 6.07 0.44 1.61 1.04 -1.26 -5.12 113.70 116.48 1xwe s SER 1509Ca 0.00 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.72 1xwe s SER 1509Cb 0.00 -1.71 -0.02 0.00 0.10 0.00 0.00 66.02 64.39 1xwe s SER 1509CO 0.00 -0.45 0.10 -1.00 0.98 0.00 0.00 173.24 172.87 1xwe s HIS 1510N -2.35 1.80 0.31 5.02 4.02 -1.26 -5.18 115.29 117.66 1xwe s HIS 1510Ca 0.43 -1.22 -0.01 0.00 1.02 0.00 0.00 55.06 55.28 1xwe s HIS 1510Cb -0.10 -1.26 -0.01 0.00 -1.02 0.00 0.00 32.58 30.19 1xwe s HIS 1510CO 0.35 -0.19 0.40 0.00 1.02 0.00 0.00 174.74 176.32 1xwe s MET 1511N -3.74 1.76 0.30 1.40 0.00 -1.26 -5.07 119.30 112.70 1xwe s MET 1511Ca 0.19 -1.74 -0.04 0.00 0.00 0.00 0.00 55.69 54.10 1xwe s MET 1511Cb 0.02 0.40 0.01 0.00 0.00 0.00 0.00 34.83 35.27 1xwe s MET 1511CO 0.12 -0.70 0.46 0.00 0.00 0.00 0.00 175.02 174.90 1xwe n ALA 1512N -0.52 -0.50 0.20 3.16 0.00 -1.26 -5.09 120.51 116.49 1xwe n ALA 1512Ca 0.02 -1.31 -0.08 0.00 0.00 0.00 0.00 53.44 52.07 1xwe n ALA 1512Cb 0.62 1.06 -0.04 0.00 0.00 0.00 0.00 19.45 21.09 1xwe n ALA 1512CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xwe h ASP 1513N 1.66 -0.45 -5.04 0.00 5.19 -2.02 -3.42 116.42 112.35 1xwe h ASP 1513Ca -0.24 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1xwe h ASP 1513Cb 1.01 0.12 -0.11 0.00 0.18 0.00 0.00 39.33 40.52 1xwe h ASP 1513CO 0.32 -0.24 -1.44 0.00 -3.12 0.00 0.00 179.24 174.75 1xwe n GLY 1515N 1.80 -0.28 3.62 0.00 0.00 -0.98 -4.45 105.19 104.90 1xwe n GLY 1515Ca -0.36 0.07 -0.48 0.00 0.00 0.00 0.00 46.02 45.25 1xwe n GLY 1515CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xwe n GLN 1516N -4.06 1.90 -3.54 1.61 10.64 -1.26 -4.46 117.38 118.21 1xwe n GLN 1516Ca -0.08 0.64 -0.37 0.00 -1.83 0.00 0.00 57.00 55.36 1xwe n GLN 1516Cb 0.58 -2.70 -0.06 0.00 -0.86 0.00 0.00 30.24 27.21 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 -1.83 0.00 0.00 177.06 173.59 1xwe s MET 1517N 4.92 3.84 0.73 2.61 -1.94 -1.26 -4.62 119.30 123.58 1xwe s MET 1517Ca 0.98 0.30 -0.06 0.00 -1.71 0.00 0.00 55.69 55.20 1xwe s MET 1517Cb -0.67 -3.12 0.16 0.00 2.01 0.00 0.00 34.83 33.20 1xwe s MET 1517CO 0.49 0.64 1.00 0.00 -0.01 0.00 0.00 175.02 177.13 1xwe n GLN 1518N 1.42 -0.48 -0.67 2.03 10.64 -1.25 -5.06 117.38 124.02 1xwe n GLN 1518Ca -0.12 -2.16 -0.29 0.00 -1.83 0.00 0.00 57.00 52.61 1xwe n GLN 1518Cb 0.52 -0.83 0.25 0.00 -0.86 0.00 0.00 30.24 29.32 1xwe n GLN 1518CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1xwe s GLU 1519N -5.09 -1.22 0.07 2.61 0.41 -1.26 -4.81 118.70 109.41 1xwe s GLU 1519Ca 0.62 0.52 0.23 0.00 -0.41 0.00 0.00 54.97 55.92 1xwe s GLU 1519Cb -0.03 -1.54 0.03 0.00 -1.78 0.00 0.00 34.13 30.81 1xwe s GLU 1519CO 0.42 -3.84 1.00 0.39 -0.49 0.00 0.00 175.26 172.74 1xwe n GLU 1520N -4.95 0.37 -3.39 1.61 1.02 -1.26 -4.42 120.64 109.62 1xwe n GLU 1520Ca 0.06 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.06 1xwe n GLU 1520Cb 0.57 -1.63 -0.09 0.00 -0.02 0.00 0.00 31.44 30.26 1xwe n GLU 1520CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xwe s LEU 1521N -4.23 -0.37 -0.14 -4.62 1.43 -1.26 -4.84 118.68 104.65 1xwe s LEU 1521Ca 0.02 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1xwe s LEU 1521Cb 0.13 0.67 0.05 0.00 0.03 0.00 0.00 46.19 47.08 1xwe s LEU 1521CO 0.80 -0.37 0.07 -0.62 0.23 0.00 0.00 176.35 176.46 1xwe s ASP 1522N 2.41 2.09 -0.17 2.29 -1.08 -1.26 -5.00 116.67 115.96 1xwe s ASP 1522Ca 0.10 -0.44 0.16 0.00 -0.52 0.00 0.00 52.55 51.84 1xwe s ASP 1522Cb -0.14 -0.29 0.70 0.00 -1.46 0.00 0.00 42.92 41.73 1xwe s ASP 1522CO -0.29 -0.31 1.62 0.18 0.52 0.00 0.00 175.17 176.89 1xwe n LEU 1523N 5.24 4.87 -0.42 -1.34 4.77 -1.26 -4.24 117.00 124.62 1xwe n LEU 1523Ca -0.06 -2.72 0.12 0.00 -0.03 0.00 0.00 56.01 53.31 1xwe n LEU 1523Cb 0.49 -0.59 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1xwe n LEU 1523CO 0.10 0.71 0.39 0.35 -1.33 0.00 0.00 177.39 177.61 1xwe n THR 1524N 0.58 0.00 -3.55 -5.08 -2.24 -1.26 -4.91 114.28 97.82 1xwe n THR 1524Ca 0.25 -0.22 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 1xwe n THR 1524Cb 0.98 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 70.17 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 -2.50 5.17 0.62 2.28 1.01 -1.26 -5.09 121.20 121.44 1xwe s ILE 1525Ca 0.20 0.70 -0.09 0.00 0.00 0.00 0.00 60.65 61.46 1xwe s ILE 1525Cb 0.18 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.99 1xwe s ILE 1525CO 0.56 0.53 0.98 -0.55 0.00 0.00 0.00 174.94 176.47 1xwe s SER 1526N -0.65 5.74 0.00 3.58 0.15 -1.26 -4.99 113.70 116.27 1xwe s SER 1526Ca 0.21 1.02 0.25 0.00 0.70 0.00 0.00 55.95 58.14 1xwe s SER 1526Cb -0.15 -2.00 0.53 0.00 -1.71 0.00 0.00 66.02 62.70 1xwe s SER 1526CO 0.10 -1.07 1.43 0.00 1.20 0.00 0.00 173.24 174.90 1xwe n ALA 1527N -2.73 3.15 0.44 5.45 0.00 -1.26 -3.91 120.51 121.65 1xwe n ALA 1527Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 53.44 53.07 1xwe n ALA 1527Cb 0.56 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.30 1.74 -0.07 0.00 1.02 -1.26 -3.94 120.64 117.84 1xwe n GLU 1528Ca 0.12 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.08 1xwe n GLU 1528Cb 0.40 -1.22 -0.12 0.00 -0.02 0.00 0.00 31.44 30.48 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 1.59 0.00 2.62 2.02 -1.98 -3.33 112.91 113.83 1xwe h THR 1529Ca 0.00 -2.23 -0.04 0.00 0.77 0.00 0.00 66.41 64.91 1xwe h THR 1529Cb 0.44 3.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1xwe h THR 1529CO 0.00 0.54 -0.21 0.08 0.37 0.00 0.00 175.52 176.30 1xwe h ARG 1530N -1.00 0.00 -0.43 6.66 0.11 -1.81 -3.16 114.38 114.75 1xwe h ARG 1530Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1xwe h ARG 1530Cb 0.95 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.00 1xwe h ARG 1530CO -0.02 0.21 0.27 -0.22 0.10 0.00 0.00 179.97 180.32 1xwe h LYS 1531N 0.00 0.57 0.00 0.08 3.64 -1.69 -0.27 116.57 118.90 1xwe h LYS 1531Ca -0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xwe h LYS 1531Cb 0.96 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1xwe h LYS 1531CO 0.03 0.39 -0.01 1.96 -2.27 0.00 0.00 179.45 179.54 1xwe h GLN 1532N 0.58 0.00 0.00 1.90 1.08 -1.65 0.55 115.11 117.57 1xwe h GLN 1532Ca 0.16 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1xwe h GLN 1532Cb -0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1xwe h GLN 1532CO -0.03 0.01 -0.10 1.15 -0.95 0.00 0.00 178.83 178.91 1xwe h THR 1533N 0.00 0.18 -0.01 -0.54 2.02 -1.23 -3.02 112.91 110.31 1xwe h THR 1533Ca -0.00 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1xwe h THR 1533Cb 0.04 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1xwe h THR 1533CO 0.00 0.10 0.00 0.00 0.37 0.00 0.00 175.52 175.99 1xwe n ALA 1534N -2.13 2.60 -1.90 6.16 0.00 0.18 -3.35 120.51 122.08 1xwe n ALA 1534Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xwe n ALA 1534Cb 0.57 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.00 1.64 0.03 0.00 -0.14 -1.15 -4.87 119.74 115.26 1xwe s LYS 1536Ca 0.00 1.65 0.09 0.00 -1.36 0.00 0.00 55.97 56.35 1xwe s LYS 1536Cb 0.00 -1.79 0.39 0.00 -1.68 0.00 0.00 37.83 34.76 1xwe s LYS 1536CO 0.00 -2.19 1.28 -0.35 -0.76 0.00 0.00 175.35 173.34 1xwe n PRO 1537N -3.43 0.02 -0.07 -1.68 -0.04 -1.26 -3.26 135.00 125.27 1xwe n PRO 1537Ca 0.13 0.39 -0.15 0.00 -0.04 0.00 0.00 63.50 63.83 1xwe n PRO 1537Cb 0.51 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 1xwe n PRO 1537CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1xwe n GLU 1538N -1.58 0.33 -1.67 0.54 0.28 -1.26 -4.98 120.64 112.30 1xwe n GLU 1538Ca 0.02 0.14 -0.52 0.00 -0.16 0.00 0.00 57.16 56.64 1xwe n GLU 1538Cb 0.09 -1.06 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 1xwe n GLU 1538CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1xwe n ILE 1539N -3.77 0.44 -0.08 3.84 -0.00 -1.20 -4.03 119.36 114.56 1xwe n ILE 1539Ca -0.27 -0.10 -0.08 0.00 -0.00 0.00 0.00 62.75 62.30 1xwe n ILE 1539Cb 0.65 -1.61 -0.03 0.00 -0.00 0.00 0.00 39.64 38.64 1xwe n ILE 1539CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1xwe n ALA 1540N 6.51 0.54 -2.87 -1.39 0.00 0.52 -4.48 120.51 119.33 1xwe n ALA 1540Ca 0.26 -0.46 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 1xwe n ALA 1540Cb 0.23 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 1xwe n ALA 1540CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1xwe s TYR 1541N -2.31 3.50 -0.28 0.00 -0.85 -0.77 -4.04 117.35 112.61 1xwe s TYR 1541Ca -0.18 0.37 0.00 0.00 -0.52 0.00 0.00 57.07 56.74 1xwe s TYR 1541Cb 0.03 -1.84 0.16 0.00 0.38 0.00 0.00 41.96 40.69 1xwe s TYR 1541CO 0.29 0.65 0.44 0.00 -1.52 0.00 0.00 175.55 175.41 1xwe s ALA 1542N -1.20 -1.41 0.00 9.51 0.00 -0.98 -1.82 121.76 125.86 1xwe s ALA 1542Ca 0.23 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1xwe s ALA 1542Cb -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.00 1xwe s ALA 1542CO 0.13 -1.55 0.00 0.98 0.00 0.00 0.00 175.76 175.32 1xwe n TYR 1543N 5.37 0.00 -4.43 0.00 4.19 -0.33 -0.19 117.16 121.77 1xwe n TYR 1543Ca -0.01 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 61.01 1xwe n TYR 1543Cb 0.50 0.00 -0.15 0.00 0.49 0.00 0.00 39.34 40.19 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1xwe s LYS 1544N 3.28 0.84 -0.01 2.98 2.20 -1.10 -1.69 119.74 126.23 1xwe s LYS 1544Ca 0.00 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 1xwe s LYS 1544Cb 0.00 -0.81 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 1xwe s LYS 1544CO 0.00 0.22 0.04 0.14 -0.36 0.00 0.00 175.35 175.39 1xwe s VAL 1545N -0.32 0.00 0.00 4.02 -7.23 -0.92 -0.73 120.40 115.22 1xwe s VAL 1545Ca 0.03 -0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.24 1xwe s VAL 1545Cb -0.04 -0.07 -0.03 0.00 0.56 0.00 0.00 36.38 36.80 1xwe s VAL 1545CO -0.00 -0.00 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.13 1xwe s SER 1546N 0.01 4.35 -0.22 4.85 0.15 -0.17 -2.22 113.70 120.45 1xwe s SER 1546Ca -0.00 -0.22 -0.27 0.00 0.70 0.00 0.00 55.95 56.16 1xwe s SER 1546Cb -0.00 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1xwe s SER 1546CO 0.00 0.29 0.95 -0.63 1.20 0.00 0.00 173.24 175.04 1xwe s ILE 1547N -0.94 4.76 -0.22 6.45 -1.09 -1.20 0.31 121.20 129.26 1xwe s ILE 1547Ca 0.16 1.84 0.22 0.00 -2.23 0.00 0.00 60.65 60.64 1xwe s ILE 1547Cb -0.11 -4.23 -0.23 0.00 -1.58 0.00 0.00 42.46 36.31 1xwe s ILE 1547CO 0.06 -0.11 0.69 0.35 -1.23 0.00 0.00 174.94 174.70 1xwe n THR 1548N 5.20 0.15 -3.74 2.92 -2.24 0.54 -2.08 114.28 115.02 1xwe n THR 1548Ca 0.09 -0.44 -0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1xwe n THR 1548Cb 0.47 0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 -4.50 -0.30 -0.15 3.42 0.15 -0.68 -4.89 113.70 106.75 1xwe s SER 1549Ca -0.04 -0.42 -0.03 0.00 0.70 0.00 0.00 55.95 56.16 1xwe s SER 1549Cb 0.13 0.63 0.05 0.00 -1.71 0.00 0.00 66.02 65.13 1xwe s SER 1549CO 0.87 -1.14 0.04 -0.63 1.20 0.00 0.00 173.24 173.58 1xwe s ILE 1550N -3.70 0.34 -0.04 6.45 1.01 -1.26 -0.90 121.20 123.11 1xwe s ILE 1550Ca 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1xwe s ILE 1550Cb -0.04 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 1xwe s ILE 1550CO 0.02 -0.09 -0.10 -0.89 0.00 0.00 0.00 174.94 173.87 1xwe s THR 1551N 1.95 3.40 -0.02 2.92 2.01 0.06 -4.96 115.64 121.00 1xwe s THR 1551Ca 0.01 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.31 1xwe s THR 1551Cb -0.15 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.97 1xwe s THR 1551CO -0.07 0.53 0.06 0.54 -0.69 0.00 0.00 174.62 174.98 1xwe s VAL 1552N -0.84 -0.01 0.00 3.82 0.11 -1.26 -1.44 120.40 120.77 1xwe s VAL 1552Ca 0.13 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1xwe s VAL 1552Cb -0.11 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.65 1xwe s VAL 1552CO 0.03 0.02 0.00 -0.62 -3.33 0.00 0.00 175.10 171.20 1xwe n GLU 1553N 3.33 0.00 0.00 1.54 1.02 -1.26 -5.03 120.64 120.24 1xwe n GLU 1553Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1xwe n GLU 1553Cb 0.57 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 1xwe n GLU 1553CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1xwe n ASN 1554N -2.31 0.00 0.05 1.62 0.23 -1.26 -5.03 115.26 108.56 1xwe n ASN 1554Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1xwe n ASN 1554Cb 0.00 0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1xwe n VAL 1555N -2.03 0.54 -2.62 3.53 0.31 -1.26 -5.00 118.33 111.80 1xwe n VAL 1555Ca 0.00 0.18 -0.43 0.00 -0.01 0.00 0.00 64.34 64.08 1xwe n VAL 1555Cb 0.00 -1.22 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 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 -2.00 2.76 0.50 3.52 0.08 -1.26 -3.50 117.98 118.09 1xwe s PHE 1556Ca 0.00 0.57 -0.13 0.00 0.12 0.00 0.00 56.93 57.49 1xwe s PHE 1556Cb 0.00 -4.41 -0.06 0.00 -0.57 0.00 0.00 43.02 37.98 1xwe s PHE 1556CO 0.00 -1.35 0.92 0.08 -0.10 0.00 0.00 175.22 174.77 1xwe s VAL 1557N 4.52 4.66 -0.25 -0.44 1.01 0.39 -4.16 120.40 126.14 1xwe s VAL 1557Ca 0.45 0.93 -0.03 0.00 0.00 0.00 0.00 61.98 63.33 1xwe s VAL 1557Cb -0.08 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.65 1xwe s VAL 1557CO 0.29 -0.75 0.22 -0.54 0.00 0.00 0.00 175.10 174.33 1xwe s LYS 1558N -4.28 0.23 -0.26 2.72 1.02 -0.52 -1.24 119.74 117.41 1xwe s LYS 1558Ca 0.55 -0.06 -0.15 0.00 0.02 0.00 0.00 55.97 56.34 1xwe s LYS 1558Cb -0.10 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1xwe s LYS 1558CO 0.37 -0.85 0.37 0.71 -0.92 0.00 0.00 175.35 175.03 1xwe s TYR 1559N 2.29 3.27 -0.16 3.18 2.02 -0.17 -0.76 117.35 127.02 1xwe s TYR 1559Ca 0.08 0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.92 1xwe s TYR 1559Cb -0.15 -2.55 -0.01 0.00 -0.40 0.00 0.00 41.96 38.85 1xwe s TYR 1559CO -0.23 -0.18 1.19 0.21 -1.57 0.00 0.00 175.55 174.97 1xwe s LYS 1560N 1.91 4.27 0.38 -0.62 2.47 -0.07 -1.15 119.74 126.92 1xwe s LYS 1560Ca 0.15 1.58 0.00 0.00 -1.56 0.00 0.00 55.97 56.15 1xwe s LYS 1560Cb -0.16 -3.69 -0.00 0.00 -1.46 0.00 0.00 37.83 32.52 1xwe s LYS 1560CO 0.09 -0.63 0.02 0.00 0.16 0.00 0.00 175.35 174.99 1xwe n ALA 1561N 6.24 0.35 -3.56 3.13 0.00 -0.81 -0.34 120.51 125.52 1xwe n ALA 1561Ca 0.13 -1.72 -0.10 0.00 0.00 0.00 0.00 53.44 51.75 1xwe n ALA 1561Cb 0.45 0.97 -0.10 0.00 0.00 0.00 0.00 19.45 20.77 1xwe n ALA 1561CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xwe s THR 1562N -2.44 -0.57 -0.78 0.00 2.01 0.15 -2.76 115.64 111.24 1xwe s THR 1562Ca 0.02 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.88 1xwe s THR 1562Cb 0.00 -0.66 -0.08 0.00 0.01 0.00 0.00 72.50 71.77 1xwe s THR 1562CO 0.02 0.01 2.18 -0.22 -0.69 0.00 0.00 174.62 175.91 1xwe s LEU 1563N 2.54 3.08 0.10 4.42 2.96 -1.19 -1.00 118.68 129.58 1xwe s LEU 1563Ca 0.04 -0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 1xwe s LEU 1563Cb -0.13 -2.55 -0.11 0.00 0.50 0.00 0.00 46.19 43.90 1xwe s LEU 1563CO -0.13 -3.20 1.63 -0.07 -1.32 0.00 0.00 176.35 173.27 1xwe h LEU 1564N 19.86 -0.78 -8.15 -0.68 3.38 -1.25 0.96 115.31 128.65 1xwe h LEU 1564Ca -0.01 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1xwe h LEU 1564Cb 1.05 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 1xwe h LEU 1564CO 1.12 -0.40 -0.48 -1.81 0.09 0.00 0.00 178.44 176.96 1xwe s ASP 1565N -4.72 0.20 -0.22 -0.43 1.11 -0.64 -1.96 116.67 110.01 1xwe s ASP 1565Ca -0.16 -0.95 -0.04 0.00 0.18 0.00 0.00 52.55 51.58 1xwe s ASP 1565Cb 0.07 0.34 0.08 0.00 1.07 0.00 0.00 42.92 44.48 1xwe s ASP 1565CO 0.64 -0.77 0.15 0.27 1.18 0.00 0.00 175.17 176.64 1xwe s ILE 1566N -3.96 -0.17 0.38 0.77 -5.25 -1.26 -2.70 121.20 109.00 1xwe s ILE 1566Ca 0.15 -0.31 0.07 0.00 -0.99 0.00 0.00 60.65 59.57 1xwe s ILE 1566Cb 0.05 -0.72 0.19 0.00 2.95 0.00 0.00 42.46 44.93 1xwe s ILE 1566CO -0.03 -0.38 1.94 1.88 -1.79 0.00 0.00 174.94 176.56 1xwe h TYR 1567N 8.38 0.42 -3.28 1.37 0.05 -0.97 -3.38 116.97 119.56 1xwe h TYR 1567Ca -0.17 -0.03 -0.51 0.00 0.05 0.00 0.00 58.73 58.08 1xwe h TYR 1567Cb 1.11 -0.13 -0.39 0.00 1.01 0.00 0.00 36.73 38.33 1xwe h TYR 1567CO 0.19 0.42 -0.77 0.21 -1.05 0.00 0.00 178.16 177.16 1xwe s LYS 1568N -5.01 0.75 0.45 4.88 2.20 -1.18 -4.97 119.74 116.87 1xwe s LYS 1568Ca -0.07 -0.35 -0.23 0.00 -0.36 0.00 0.00 55.97 54.96 1xwe s LYS 1568Cb 0.16 -1.91 -0.10 0.00 -1.51 0.00 0.00 37.83 34.47 1xwe s LYS 1568CO 0.74 -0.56 0.85 2.41 -0.36 0.00 0.00 175.35 178.44 1xwe n THR 1569N 5.04 2.41 -2.83 3.43 -1.04 -1.26 -2.32 114.28 117.71 1xwe n THR 1569Ca -0.09 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.01 1xwe n THR 1569Cb 0.48 -0.96 -0.04 0.00 -1.82 0.00 0.00 70.33 67.99 1xwe n THR 1569CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1xwe s GLY 1570N -0.89 2.80 0.17 3.41 0.00 -1.26 -4.07 107.32 107.49 1xwe s GLY 1570Ca 0.65 0.39 0.18 0.00 0.00 0.00 0.00 44.72 45.95 1xwe s GLY 1570CO 0.56 1.52 1.55 1.18 0.00 0.00 0.00 173.10 177.91 1xwe n GLU 1571N 3.89 0.11 -3.32 2.90 1.02 -1.26 -3.44 120.64 120.54 1xwe n GLU 1571Ca 0.04 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.27 1xwe n GLU 1571Cb 0.51 -1.74 -0.05 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.67 4.39 -2.96 0.62 0.00 -1.26 -4.92 120.51 114.71 1xwe n ALA 1572Ca 0.02 -4.76 -0.00 0.00 0.00 0.00 0.00 53.44 48.69 1xwe n ALA 1572Cb 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.18 -6.96 -3.69 0.00 0.31 -1.23 -4.70 118.33 103.24 1xwe n VAL 1573Ca 0.28 1.16 -0.11 0.00 -0.01 0.00 0.00 64.34 65.66 1xwe n VAL 1573Cb 0.38 -4.94 -0.11 0.00 -0.91 0.00 0.00 33.84 28.26 1xwe n VAL 1573CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xwe s ALA 1574N -1.32 -0.92 0.12 3.52 0.00 -1.22 -4.94 121.76 117.00 1xwe s ALA 1574Ca 0.00 1.36 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1xwe s ALA 1574Cb -0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1xwe s ALA 1574CO 0.39 -0.36 0.06 -1.21 0.00 0.00 0.00 175.76 174.64 1xwe s GLU 1575N 1.66 0.89 -0.23 0.00 2.02 -1.26 -4.04 118.70 117.75 1xwe s GLU 1575Ca -0.07 -1.38 -0.28 0.00 0.02 0.00 0.00 54.97 53.26 1xwe s GLU 1575Cb -0.10 0.25 -0.05 0.00 0.10 0.00 0.00 34.13 34.33 1xwe s GLU 1575CO -0.12 -0.25 2.23 0.21 0.02 0.00 0.00 175.26 177.36 1xwe s LYS 1576N -4.02 3.09 -0.42 1.61 2.20 -1.26 -3.00 119.74 117.93 1xwe s LYS 1576Ca 0.21 2.01 -0.01 0.00 -0.36 0.00 0.00 55.97 57.82 1xwe s LYS 1576Cb 0.07 -4.38 0.00 0.00 -1.51 0.00 0.00 37.83 32.01 1xwe s LYS 1576CO -0.00 -2.16 0.41 -3.47 -0.36 0.00 0.00 175.35 169.77 1xwe n ASP 1577N 11.88 -5.45 -1.24 1.43 2.03 0.33 -4.97 116.55 120.56 1xwe n ASP 1577Ca 0.30 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1xwe n ASP 1577Cb 0.45 -3.57 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -1.34 1.32 -4.62 1.67 3.41 -1.10 -4.95 113.62 108.00 1xwe n SER 1578Ca 0.01 -0.75 -0.34 0.00 -0.26 0.00 0.00 58.87 57.53 1xwe n SER 1578Cb 0.47 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.24 3.84 0.15 4.33 2.56 -1.26 -3.14 118.70 123.93 1xwe s GLU 1579Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 54.97 54.55 1xwe s GLU 1579Cb 0.00 -3.13 -0.03 0.00 2.00 0.00 0.00 34.13 32.98 1xwe s GLU 1579CO 0.00 0.32 0.16 0.96 -0.56 0.00 0.00 175.26 176.14 1xwe s ILE 1580N 0.22 0.08 -0.03 -3.70 -4.36 -1.11 -4.89 121.20 107.41 1xwe s ILE 1580Ca 0.03 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1xwe s ILE 1580Cb -0.13 -1.98 0.03 0.00 1.25 0.00 0.00 42.46 41.63 1xwe s ILE 1580CO 0.01 -0.37 -0.00 -0.89 0.24 0.00 0.00 174.94 173.92 1xwe s THR 1581N -4.02 0.23 -0.36 8.37 2.01 -1.26 -1.92 115.64 118.69 1xwe s THR 1581Ca 0.22 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 1xwe s THR 1581Cb 0.06 -0.32 0.09 0.00 0.01 0.00 0.00 72.50 72.34 1xwe s THR 1581CO 0.01 0.16 0.10 -0.36 -0.69 0.00 0.00 174.62 173.84 1xwe s PHE 1582N 1.04 3.52 0.20 4.92 0.40 -0.30 -0.30 117.98 127.47 1xwe s PHE 1582Ca -0.09 -2.39 -0.15 0.00 -0.60 0.00 0.00 56.93 53.70 1xwe s PHE 1582Cb -0.14 -2.78 -0.08 0.00 0.51 0.00 0.00 43.02 40.54 1xwe s PHE 1582CO -0.02 -0.92 0.62 0.96 0.70 0.00 0.00 175.22 176.57 1xwe s ILE 1583N 1.12 4.77 0.07 0.64 -4.36 -0.75 -1.00 121.20 121.69 1xwe s ILE 1583Ca 0.04 0.90 0.05 0.00 -0.26 0.00 0.00 60.65 61.38 1xwe s ILE 1583Cb -0.21 -3.73 -0.03 0.00 1.25 0.00 0.00 42.46 39.75 1xwe s ILE 1583CO -0.04 0.12 -0.14 -0.75 0.24 0.00 0.00 174.94 174.37 1xwe s LYS 1584N -2.26 0.82 0.69 0.37 2.20 -0.37 -3.35 119.74 117.84 1xwe s LYS 1584Ca 0.43 -0.93 -0.05 0.00 -0.36 0.00 0.00 55.97 55.06 1xwe s LYS 1584Cb -0.14 -0.82 0.07 0.00 -1.51 0.00 0.00 37.83 35.43 1xwe s LYS 1584CO 0.20 0.18 0.99 0.15 -0.36 0.00 0.00 175.35 176.51 1xwe s LYS 1585N -1.68 2.14 0.30 4.03 1.02 -1.26 -0.46 119.74 123.82 1xwe s LYS 1585Ca -0.02 -0.43 0.16 0.00 0.02 0.00 0.00 55.97 55.70 1xwe s LYS 1585Cb -0.10 -2.22 0.25 0.00 -0.52 0.00 0.00 37.83 35.24 1xwe s LYS 1585CO 0.02 -1.22 1.53 -0.24 -0.92 0.00 0.00 175.35 174.51 1xwe h VAL 1586N -0.53 0.95 -0.21 3.17 3.04 -1.98 -3.21 116.25 117.48 1xwe h VAL 1586Ca -0.43 -2.10 -0.10 0.00 -1.01 0.00 0.00 66.70 63.06 1xwe h VAL 1586Cb 1.30 2.30 -0.01 0.00 -2.01 0.00 0.00 31.29 32.87 1xwe h VAL 1586CO 0.56 0.50 -0.28 0.71 -1.01 0.00 0.00 177.57 178.05 1xwe h THR 1587N 0.00 1.27 -1.10 3.17 1.35 -1.94 -3.40 112.91 112.26 1xwe h THR 1587Ca -0.01 -1.29 -0.31 0.00 -0.55 0.00 0.00 66.41 64.26 1xwe h THR 1587Cb 1.26 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 69.07 1xwe h THR 1587CO 0.07 0.40 0.88 0.00 -0.25 0.00 0.00 175.52 176.62 1xwe n THR 1589N 7.94 0.00 0.68 0.00 5.66 -1.26 -4.18 114.28 123.12 1xwe n THR 1589Ca 0.36 -0.15 0.12 0.00 -3.05 0.00 0.00 64.05 61.34 1xwe n THR 1589Cb 0.49 0.72 0.29 0.00 -1.55 0.00 0.00 70.33 70.27 1xwe n THR 1589CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xwe n ASN 1590N -1.70 0.64 -4.56 1.09 3.02 -1.26 -4.75 115.26 107.74 1xwe n ASN 1590Ca 0.02 0.23 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 1xwe n ASN 1590Cb 0.39 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwe s ALA 1591N -3.11 3.18 -0.07 5.41 0.00 -1.26 -4.44 121.76 121.46 1xwe s ALA 1591Ca 0.09 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1xwe s ALA 1591Cb 0.14 -3.74 0.03 0.00 0.00 0.00 0.00 23.12 19.55 1xwe s ALA 1591CO 0.67 -2.24 -0.01 -1.21 0.00 0.00 0.00 175.76 172.97 1xwe s GLU 1592N 4.03 0.69 0.36 0.00 2.02 -1.26 -5.09 118.70 119.45 1xwe s GLU 1592Ca 0.37 0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.49 1xwe s GLU 1592Cb -0.10 -1.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.09 1xwe s GLU 1592CO 0.25 -0.29 0.22 -0.48 0.02 0.00 0.00 175.26 174.98 1xwe s LEU 1593N 1.89 1.83 0.05 1.80 2.34 -1.26 -5.07 118.68 120.25 1xwe s LEU 1593Ca 0.04 -1.73 0.05 0.00 0.06 0.00 0.00 54.13 52.55 1xwe s LEU 1593Cb -0.12 0.29 -0.02 0.00 -0.56 0.00 0.00 46.19 45.77 1xwe s LEU 1593CO -0.05 -1.01 -0.14 -0.69 -1.06 0.00 0.00 176.35 173.39 1xwe s VAL 1594N -3.36 1.14 -0.27 1.48 1.01 -1.26 -5.11 120.40 114.02 1xwe s VAL 1594Ca 0.33 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1xwe s VAL 1594Cb 0.02 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 1xwe s VAL 1594CO 0.22 -0.02 1.35 -0.75 0.00 0.00 0.00 175.10 175.90 1xwe s LYS 1595N -1.24 3.92 0.00 2.72 2.20 -1.26 -3.14 119.74 122.94 1xwe s LYS 1595Ca 0.01 1.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1xwe s LYS 1595Cb -0.08 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1xwe s LYS 1595CO 0.01 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.30 1xwe n GLY 1596N 4.32 1.44 3.68 5.54 0.00 -0.88 -5.05 105.19 114.23 1xwe n GLY 1596Ca 0.15 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 0.93 -0.10 1.61 3.00 -1.19 -4.75 118.95 118.47 1xwe s ARG 1597Ca 0.00 0.92 -0.00 0.00 0.00 0.00 0.00 55.73 56.65 1xwe s ARG 1597Cb 0.00 -1.76 -0.03 0.00 0.00 0.00 0.00 34.95 33.16 1xwe s ARG 1597CO 0.00 -2.49 -0.07 -0.65 0.00 0.00 0.00 175.30 172.09 1xwe s GLN 1598N -4.83 3.04 -0.02 3.54 -0.21 -1.26 -3.27 119.66 116.64 1xwe s GLN 1598Ca 0.64 -0.56 0.02 0.00 0.02 0.00 0.00 55.36 55.49 1xwe s GLN 1598Cb -0.19 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.15 1xwe s GLN 1598CO 0.58 0.51 -0.08 0.71 -2.12 0.00 0.00 175.29 174.89 1xwe s TYR 1599N -0.40 0.87 -0.11 0.91 2.02 -0.94 -1.98 117.35 117.72 1xwe s TYR 1599Ca 0.06 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 1xwe s TYR 1599Cb -0.12 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1xwe s TYR 1599CO 0.02 -0.08 1.21 -1.17 -1.57 0.00 0.00 175.55 173.96 1xwe s LEU 1600N 0.13 4.23 -0.05 -1.29 2.96 0.81 -2.18 118.68 123.30 1xwe s LEU 1600Ca -0.02 1.74 0.06 0.00 -0.22 0.00 0.00 54.13 55.69 1xwe s LEU 1600Cb -0.07 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.05 1xwe s LEU 1600CO 0.00 -0.65 -0.22 -0.63 -1.32 0.00 0.00 176.35 173.53 1xwe s ILE 1601N 2.73 2.32 -0.28 6.68 1.09 -0.68 -1.64 121.20 131.42 1xwe s ILE 1601Ca 0.55 -0.99 0.00 0.00 -1.10 0.00 0.00 60.65 59.11 1xwe s ILE 1601Cb -0.23 -1.85 0.14 0.00 -1.06 0.00 0.00 42.46 39.46 1xwe s ILE 1601CO 0.18 0.57 0.34 -0.04 -0.10 0.00 0.00 174.94 175.90 1xwe s MET 1602N -0.39 0.35 0.33 2.79 -1.94 -0.59 -1.19 119.30 118.66 1xwe s MET 1602Ca 0.03 0.01 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 1xwe s MET 1602Cb -0.12 -0.53 0.03 0.00 2.01 0.00 0.00 34.83 36.22 1xwe s MET 1602CO 0.02 -1.00 0.67 0.20 -0.01 0.00 0.00 175.02 174.90 1xwe s GLY 1603N 2.44 0.44 1.18 -0.03 0.00 -0.76 -1.22 107.32 109.37 1xwe s GLY 1603Ca 0.10 -0.77 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 1xwe s GLY 1603CO -0.30 -0.41 1.06 -1.59 0.00 0.00 0.00 173.10 171.86 1xwe s LYS 1604N -3.17 -1.04 0.90 2.90 0.00 -1.26 -0.36 119.74 117.71 1xwe s LYS 1604Ca 0.18 0.27 -0.12 0.00 0.00 0.00 0.00 55.97 56.30 1xwe s LYS 1604Cb -0.04 -1.59 0.13 0.00 0.00 0.00 0.00 37.83 36.33 1xwe s LYS 1604CO 0.11 -3.66 1.09 -1.83 0.00 0.00 0.00 175.35 171.06 1xwe s GLU 1605N -5.06 1.24 0.49 1.78 4.04 -1.26 -4.35 118.70 115.59 1xwe s GLU 1605Ca 0.69 0.77 -0.08 0.00 0.04 0.00 0.00 54.97 56.38 1xwe s GLU 1605Cb -0.16 -1.81 0.12 0.00 0.02 0.00 0.00 34.13 32.31 1xwe s GLU 1605CO 0.58 -2.24 0.40 0.00 -1.84 0.00 0.00 175.26 172.16 1xwe n ALA 1606N -3.88 -1.48 -3.50 -0.84 0.00 -1.26 -4.94 120.51 104.61 1xwe n ALA 1606Ca 0.07 -0.62 -0.14 0.00 0.00 0.00 0.00 53.44 52.75 1xwe n ALA 1606Cb 0.56 -0.05 0.01 0.00 0.00 0.00 0.00 19.45 19.97 1xwe n ALA 1606CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xwe n LEU 1607N 0.00 0.00 -3.45 0.00 4.77 -1.25 -4.95 117.00 112.12 1xwe n LEU 1607Ca 0.06 -1.40 -0.29 0.00 -0.03 0.00 0.00 56.01 54.34 1xwe n LEU 1607Cb 0.23 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1xwe n LEU 1607CO 0.16 -0.48 -0.32 -1.10 -1.33 0.00 0.00 177.39 174.32 1xwe s GLN 1608N -3.20 0.60 0.00 3.23 -0.21 -1.26 -4.28 119.66 114.53 1xwe s GLN 1608Ca 0.20 -1.43 0.25 0.00 0.02 0.00 0.00 55.36 54.40 1xwe s GLN 1608Cb -0.02 -1.32 0.47 0.00 1.00 0.00 0.00 33.01 33.14 1xwe s GLN 1608CO 0.13 -1.23 1.39 1.51 -2.12 0.00 0.00 175.29 174.96 1xwe n ILE 1609N 3.88 0.01 -1.32 1.08 0.13 -1.26 -4.88 119.36 117.00 1xwe n ILE 1609Ca 0.14 -0.01 0.00 0.00 -1.10 0.00 0.00 62.75 61.79 1xwe n ILE 1609Cb 0.38 0.27 0.00 0.00 -0.84 0.00 0.00 39.64 39.46 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1xwe n LYS 1610N -1.52 -3.71 0.00 9.51 4.81 -1.26 -4.82 118.16 121.17 1xwe n LYS 1610Ca 0.05 2.69 0.00 0.00 -0.87 0.00 0.00 58.31 60.18 1xwe n LYS 1610Cb 0.34 -2.97 0.00 0.00 0.02 0.00 0.00 35.03 32.42 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 0.08 0.00 0.12 5.64 9.36 -1.26 -4.60 117.16 126.50 1xwe n TYR 1611Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1xwe n TYR 1611Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 -0.80 -0.78 0.00 2.98 5.15 -1.26 -5.04 115.26 115.51 1xwe n ASN 1612Ca 0.00 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1xwe n ASN 1612Cb 0.10 0.89 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 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 -3.19 0.00 -0.08 5.20 0.00 -1.26 -4.91 120.51 116.27 1xwe n ALA 1613Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1xwe n ALA 1613Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 1xwe n ALA 1613CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xwe n SER 1614N -0.51 3.62 -1.22 0.00 3.41 -1.26 -5.06 113.62 112.60 1xwe n SER 1614Ca 0.00 -2.16 0.15 0.00 -0.26 0.00 0.00 58.87 56.60 1xwe n SER 1614Cb 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1xwe n PHE 1615N 1.13 -3.25 -3.35 7.33 3.72 -1.26 -4.73 117.46 117.06 1xwe n PHE 1615Ca 0.21 1.77 -0.45 0.00 -0.05 0.00 0.00 57.45 58.93 1xwe n PHE 1615Cb 0.62 -2.95 -0.06 0.00 -0.94 0.00 0.00 39.48 36.15 1xwe n PHE 1615CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1xwe s ARG 1616N -3.85 2.97 -0.40 -1.08 3.00 -1.26 -4.61 118.95 113.72 1xwe s ARG 1616Ca 0.00 -1.57 -0.24 0.00 -1.00 0.00 0.00 55.73 52.92 1xwe s ARG 1616Cb 0.00 -4.22 0.02 0.00 0.00 0.00 0.00 34.95 30.75 1xwe s ARG 1616CO 0.00 -1.20 0.83 0.71 0.00 0.00 0.00 175.30 175.64 1xwe s TYR 1617N 1.61 3.04 -0.04 5.12 1.51 -1.26 -3.99 117.35 123.34 1xwe s TYR 1617Ca 0.03 0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 56.55 1xwe s TYR 1617Cb -0.28 -3.61 0.03 0.00 -0.11 0.00 0.00 41.96 37.99 1xwe s TYR 1617CO 0.04 -0.88 0.07 0.96 -1.11 0.00 0.00 175.55 174.64 1xwe s ILE 1618N 3.33 -0.05 -0.23 2.71 -4.36 -1.26 -4.85 121.20 116.49 1xwe s ILE 1618Ca 0.33 0.18 -0.29 0.00 -0.26 0.00 0.00 60.65 60.61 1xwe s ILE 1618Cb -0.12 -0.14 0.00 0.00 1.25 0.00 0.00 42.46 43.45 1xwe s ILE 1618CO 0.20 0.07 1.17 -0.31 0.24 0.00 0.00 174.94 176.32 1xwe s TYR 1619N 0.97 3.02 0.47 1.37 1.51 0.58 -3.79 117.35 121.48 1xwe s TYR 1619Ca -0.08 1.15 -0.08 0.00 -1.01 0.00 0.00 57.07 57.06 1xwe s TYR 1619Cb -0.11 -3.53 0.11 0.00 -0.11 0.00 0.00 41.96 38.32 1xwe s TYR 1619CO -0.04 -1.19 0.60 -0.35 -1.11 0.00 0.00 175.55 173.47 1xwe n PRO 1620N 6.68 -0.82 -3.51 -1.71 -0.04 -1.26 -1.81 135.00 132.53 1xwe n PRO 1620Ca 0.13 -0.93 -0.24 0.00 -0.04 0.00 0.00 63.50 62.42 1xwe n PRO 1620Cb 0.46 -0.66 -0.14 0.00 -0.04 0.00 0.00 33.50 33.13 1xwe n PRO 1620CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xwe s LEU 1621N 0.00 0.23 0.00 1.53 1.43 -1.21 -4.69 118.68 115.97 1xwe s LEU 1621Ca 0.35 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1xwe s LEU 1621Cb -0.01 -0.02 -0.01 0.00 0.03 0.00 0.00 46.19 46.18 1xwe s LEU 1621CO 0.25 -0.40 0.07 0.47 0.23 0.00 0.00 176.35 176.96 1xwe n ASP 1622N 5.28 1.65 0.03 2.29 9.92 -1.26 -3.75 116.55 130.71 1xwe n ASP 1622Ca -0.05 -2.38 0.09 0.00 -0.53 0.00 0.00 54.79 51.92 1xwe n ASP 1622Cb 0.45 0.53 0.38 0.00 -0.64 0.00 0.00 41.12 41.84 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 -1.56 0.17 0.01 -2.24 3.41 -1.26 -2.33 113.62 109.82 1xwe n SER 1623Ca -0.07 0.54 -0.09 0.00 -0.26 0.00 0.00 58.87 58.99 1xwe n SER 1623Cb 0.39 -0.58 -0.14 0.00 -0.26 0.00 0.00 64.21 63.63 1xwe n SER 1623CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1xwe h LEU 1624N 0.00 0.04 -8.55 1.04 8.10 -1.97 -3.45 115.31 110.52 1xwe h LEU 1624Ca 0.00 -0.06 -0.46 0.00 0.11 0.00 0.00 57.88 57.46 1xwe h LEU 1624Cb 0.31 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 1xwe h LEU 1624CO 0.00 1.06 1.48 -0.89 -4.11 0.00 0.00 178.44 175.98 1xwe s THR 1625N -2.63 3.15 -0.23 0.15 2.01 -1.01 -4.82 115.64 112.25 1xwe s THR 1625Ca -0.04 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 1xwe s THR 1625Cb 0.08 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1xwe s THR 1625CO 0.82 -0.37 2.23 0.86 -0.69 0.00 0.00 174.62 177.47 1xwe s TRP 1626N 11.06 1.15 -0.08 4.92 -0.11 -0.36 -4.82 118.94 130.70 1xwe s TRP 1626Ca 0.85 0.60 0.05 0.00 1.22 0.00 0.00 56.10 58.82 1xwe s TRP 1626Cb -0.15 -3.91 -0.01 0.00 -1.50 0.00 0.00 33.47 27.91 1xwe s TRP 1626CO 0.23 -4.00 -0.23 0.42 -4.62 0.00 0.00 176.95 168.75 1xwe s ILE 1627N 8.55 2.19 0.05 5.86 1.01 -1.26 -1.54 121.20 136.07 1xwe s ILE 1627Ca 1.01 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 60.59 1xwe s ILE 1627Cb -0.32 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.32 1xwe s ILE 1627CO 0.35 0.56 0.13 -0.70 0.00 0.00 0.00 174.94 175.28 1xwe s GLU 1628N 0.04 0.66 -0.31 2.79 2.12 -0.65 -3.80 118.70 119.55 1xwe s GLU 1628Ca -0.09 -0.77 -0.14 0.00 0.36 0.00 0.00 54.97 54.33 1xwe s GLU 1628Cb -0.15 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 1xwe s GLU 1628CO 0.06 -0.18 0.31 -0.47 -0.54 0.00 0.00 175.26 174.44 1xwe s TYR 1629N -2.85 3.22 -0.35 5.30 5.04 -1.26 -0.13 117.35 126.32 1xwe s TYR 1629Ca -0.03 0.09 -0.20 0.00 -2.44 0.00 0.00 57.07 54.49 1xwe s TYR 1629Cb 0.00 -2.56 -0.00 0.00 0.35 0.00 0.00 41.96 39.75 1xwe s TYR 1629CO -0.06 -0.32 0.61 -0.46 -1.34 0.00 0.00 175.55 173.98 1xwe s TRP 1630N 1.94 3.17 -0.70 4.97 -0.11 -0.84 -4.90 118.94 122.47 1xwe s TRP 1630Ca 0.11 0.34 -0.29 0.00 1.22 0.00 0.00 56.10 57.48 1xwe s TRP 1630Cb -0.16 -3.07 -0.14 0.00 -1.50 0.00 0.00 33.47 28.60 1xwe s TRP 1630CO 0.11 -0.59 2.53 -2.30 -4.62 0.00 0.00 176.95 172.08 1xwe n PRO 1631N 5.95 0.60 0.15 5.86 -0.02 -1.26 -4.51 135.00 141.76 1xwe n PRO 1631Ca -0.02 0.01 0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1xwe n PRO 1631Cb 0.49 -2.56 0.75 0.00 -0.02 0.00 0.00 33.50 32.15 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 15.99 0.00 -5.73 -0.52 2.43 -1.94 -3.40 114.38 121.22 1xwe h ARG 1632Ca -0.16 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.41 1xwe h ARG 1632Cb 1.29 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.76 1xwe h ARG 1632CO 1.25 0.00 -0.25 -0.51 -1.51 0.00 0.00 179.97 178.96 1xwe s ASP 1633N -6.15 6.62 0.00 -3.80 1.01 -1.26 -4.95 116.67 108.13 1xwe s ASP 1633Ca -0.05 0.73 0.00 0.00 0.71 0.00 0.00 52.55 53.94 1xwe s ASP 1633Cb 0.17 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.87 1xwe s ASP 1633CO 0.63 0.16 0.67 0.35 0.21 0.00 0.00 175.17 177.19 1xwe n THR 1634N 2.95 0.40 -1.56 -1.27 -2.24 -1.26 -4.44 114.28 106.87 1xwe n THR 1634Ca -0.12 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1xwe n THR 1634Cb 0.52 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 -0.20 0.00 0.09 4.28 5.66 -1.26 -4.66 114.28 118.18 1xwe n THR 1635Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1xwe n THR 1635Cb 0.14 0.55 -0.02 0.00 -1.55 0.00 0.00 70.33 69.45 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 -2.84 -0.67 0.00 0.00 2.88 -1.26 -4.99 113.62 106.74 1xwe n SER 1637Ca -0.03 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1xwe n SER 1637Cb 0.10 0.94 0.00 0.00 -0.75 0.00 0.00 64.21 64.51 1xwe n SER 1637CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1xwe n SER 1638N -2.69 0.25 0.27 -3.46 3.41 -1.26 -4.81 113.62 105.33 1xwe n SER 1638Ca 0.00 -1.12 0.13 0.00 -0.26 0.00 0.00 58.87 57.62 1xwe n SER 1638Cb 0.00 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 64.72 1xwe n SER 1638CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe h GLN 1640N 0.00 0.00 -0.50 0.00 4.15 -1.83 -2.21 115.11 114.72 1xwe h GLN 1640Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1xwe h GLN 1640Cb 0.26 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1xwe h GLN 1640CO 0.01 0.00 0.34 0.00 -1.93 0.00 0.00 178.83 177.25 1xwe h ALA 1641N 2.01 1.99 0.00 3.38 0.00 -1.72 -0.18 119.26 124.73 1xwe h ALA 1641Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1xwe h ALA 1641Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xwe h ALA 1641CO 0.00 -0.08 -0.53 0.35 0.00 0.00 0.00 179.25 178.98 1xwe h PHE 1642N 0.37 0.00 0.00 0.00 3.57 -1.63 -3.22 116.94 116.04 1xwe h PHE 1642Ca 0.22 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1xwe h PHE 1642Cb 0.40 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1xwe h PHE 1642CO -0.00 0.52 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.47 1xwe h LEU 1643N 0.00 0.00 0.62 0.59 3.38 -1.13 -3.06 115.31 115.71 1xwe h LEU 1643Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xwe h LEU 1643Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1xwe h LEU 1643CO 0.07 0.06 -0.41 0.00 0.09 0.00 0.00 178.44 178.24 1xwe h ALA 1644N 1.94 -1.03 0.00 1.53 0.00 -1.55 -0.92 119.26 119.23 1xwe h ALA 1644Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xwe h ALA 1644Cb 0.19 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1xwe h ALA 1644CO 0.01 -1.10 0.00 0.27 0.00 0.00 0.00 179.25 178.43 1xwe n ASN 1645N -5.54 0.30 0.09 0.00 0.23 -1.16 -1.89 115.26 107.28 1xwe n ASN 1645Ca -0.13 0.61 -0.22 0.00 -0.53 0.00 0.00 54.58 54.31 1xwe n ASN 1645Cb 0.43 -0.66 -0.15 0.00 -2.08 0.00 0.00 39.78 37.32 1xwe n ASN 1645CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1xwe h LEU 1646N 0.00 0.62 -0.90 -4.53 3.38 -1.28 -3.32 115.31 109.28 1xwe h LEU 1646Ca 0.00 -0.81 -0.09 0.00 0.09 0.00 0.00 57.88 57.07 1xwe h LEU 1646Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1xwe h LEU 1646CO 0.00 1.66 -0.42 0.44 0.09 0.00 0.00 178.44 180.21 1xwe h ASP 1647N 0.11 0.00 0.00 -0.43 3.32 -0.49 -2.25 116.42 116.68 1xwe h ASP 1647Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1xwe h ASP 1647Cb 2.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.64 1xwe h ASP 1647CO 0.20 0.42 0.00 -0.62 -1.72 0.00 0.00 179.24 177.53 1xwe n GLU 1648N -3.60 0.92 0.00 3.56 1.02 -1.05 -3.07 120.64 118.43 1xwe n GLU 1648Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xwe n GLU 1648Cb 0.53 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1xwe n GLU 1648CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xwe n PHE 1649N -0.69 0.00 0.00 -0.32 7.35 -0.97 -4.48 117.46 118.35 1xwe n PHE 1649Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 1xwe n PHE 1649Cb 0.04 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.87 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 -1.58 -0.23 0.51 3.13 0.00 -0.88 -2.87 120.51 118.59 1xwe n ALA 1650Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1xwe n ALA 1650Cb 0.27 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.57 0.02 0.12 0.00 2.13 -1.24 -2.28 120.64 117.81 1xwe n GLU 1651Ca 0.00 0.24 -0.05 0.00 0.66 0.00 0.00 57.16 58.01 1xwe n GLU 1651Cb 0.00 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.19 1xwe n GLU 1651CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1xwe h ASP 1652N 0.00 -0.28 0.93 4.31 3.58 -1.78 -1.56 116.42 121.63 1xwe h ASP 1652Ca 0.00 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 1xwe h ASP 1652Cb 0.24 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1xwe h ASP 1652CO 0.00 -0.08 -0.12 -0.29 -2.88 0.00 0.00 179.24 175.87 1xwe h ILE 1653N -0.57 0.32 0.05 2.25 2.10 -1.56 0.83 117.51 120.94 1xwe h ILE 1653Ca -0.03 -0.83 -0.00 0.00 1.08 0.00 0.00 64.86 65.08 1xwe h ILE 1653Cb 0.25 1.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 1xwe h ILE 1653CO 0.06 0.12 -0.02 0.15 -1.08 0.00 0.00 178.15 177.37 1xwe h PHE 1654N 0.00 -0.06 0.01 2.19 3.57 -1.53 -1.79 116.94 119.33 1xwe h PHE 1654Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xwe h PHE 1654Cb 0.62 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1xwe h PHE 1654CO 0.00 0.45 -0.01 1.25 -2.23 0.00 0.00 178.31 177.77 1xwe h LEU 1655N -0.60 -0.02 0.00 0.59 6.46 -1.24 -3.41 115.31 117.09 1xwe h LEU 1655Ca -0.01 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 1xwe h LEU 1655Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1xwe h LEU 1655CO 0.01 0.78 0.00 0.59 -0.62 0.00 0.00 178.44 179.20 1xwe n ASN 1656N -4.70 0.00 0.00 1.25 5.03 0.28 -5.08 115.26 112.04 1xwe n ASN 1656Ca -0.07 0.57 0.00 0.00 0.87 0.00 0.00 54.58 55.95 1xwe n ASN 1656Cb 0.30 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.63 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 1.22 -1.19 0.00 7.41 0.00 -0.67 -4.99 105.19 106.97 1xwe n GLY 1657Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32