#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 6.85 0.50 1.61 0.15 -1.26 -5.07 113.70 116.48 1xwe s SER 1509Ca 0.00 1.27 -0.09 0.00 0.70 0.00 0.00 55.95 57.83 1xwe s SER 1509Cb 0.00 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1xwe s SER 1509CO 0.00 -0.10 0.87 -1.38 1.20 0.00 0.00 173.24 173.83 1xwe s HIS 1510N -1.79 3.55 -0.20 3.44 0.00 -1.26 -4.75 115.29 114.29 1xwe s HIS 1510Ca 0.49 1.05 -0.12 0.00 -3.00 0.00 0.00 55.06 53.48 1xwe s HIS 1510Cb -0.13 -2.49 0.05 0.00 -4.00 0.00 0.00 32.58 26.01 1xwe s HIS 1510CO 0.19 -0.36 0.24 -1.33 -1.00 0.00 0.00 174.74 172.48 1xwe n MET 1511N -2.11 -4.59 -4.63 -0.38 0.00 -1.26 -5.01 117.12 99.14 1xwe n MET 1511Ca 0.03 3.46 -0.33 0.00 0.00 0.00 0.00 57.70 60.85 1xwe n MET 1511Cb 0.54 -5.13 -0.13 0.00 0.00 0.00 0.00 33.22 28.51 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe s ALA 1512N -0.73 2.81 -0.17 3.04 0.00 -1.24 -5.06 121.76 120.40 1xwe s ALA 1512Ca -0.28 -0.87 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1xwe s ALA 1512Cb 0.02 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1xwe s ALA 1512CO 0.80 0.30 0.40 0.16 0.00 0.00 0.00 175.76 177.42 1xwe s ASP 1513N 0.13 6.51 -0.12 0.00 -4.77 -1.26 -2.34 116.67 114.82 1xwe s ASP 1513Ca -0.04 0.61 0.06 0.00 -3.30 0.00 0.00 52.55 49.87 1xwe s ASP 1513Cb -0.14 -2.24 0.36 0.00 -1.09 0.00 0.00 42.92 39.81 1xwe s ASP 1513CO 0.04 -0.01 1.11 0.00 0.70 0.00 0.00 175.17 177.01 1xwe n GLY 1515N 0.21 0.38 3.52 0.00 0.00 -1.23 -2.29 105.19 105.78 1xwe n GLY 1515Ca 0.15 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1xwe n GLY 1515CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1xwe n GLN 1516N 0.00 0.96 -1.13 1.61 7.27 -1.26 -4.21 117.38 120.62 1xwe n GLN 1516Ca 0.00 0.12 -0.29 0.00 0.07 0.00 0.00 57.00 56.90 1xwe n GLN 1516Cb 0.00 -2.86 0.17 0.00 2.41 0.00 0.00 30.24 29.96 1xwe n GLN 1516CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xwe s MET 1517N 7.77 0.58 0.69 3.69 0.23 -1.24 -4.93 119.30 126.09 1xwe s MET 1517Ca 1.08 0.64 -0.05 0.00 -1.03 0.00 0.00 55.69 56.33 1xwe s MET 1517Cb -0.54 -1.74 0.15 0.00 -1.53 0.00 0.00 34.83 31.16 1xwe s MET 1517CO 0.36 -2.66 0.94 1.04 -2.03 0.00 0.00 175.02 172.68 1xwe n GLN 1518N -4.14 -0.36 -0.79 3.16 1.13 -1.19 -5.05 117.38 110.14 1xwe n GLN 1518Ca 0.06 -2.14 -0.27 0.00 -1.94 0.00 0.00 57.00 52.71 1xwe n GLN 1518Cb 0.56 -0.76 0.23 0.00 0.11 0.00 0.00 30.24 30.38 1xwe n GLN 1518CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1xwe n GLU 1519N -2.84 -3.22 0.00 -1.09 1.02 -1.26 -4.79 120.64 108.46 1xwe n GLU 1519Ca 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 1xwe n GLU 1519Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1xwe n GLU 1519CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xwe n GLU 1520N -4.64 0.00 -3.25 3.49 1.02 -1.26 -4.55 120.64 111.45 1xwe n GLU 1520Ca 0.13 0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.82 1xwe n GLU 1520Cb 0.52 -0.06 -0.05 0.00 -0.02 0.00 0.00 31.44 31.84 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 -0.32 5.84 -0.21 -4.62 1.43 -1.26 -4.90 118.68 114.64 1xwe s LEU 1521Ca 0.00 -1.60 -0.04 0.00 -1.03 0.00 0.00 54.13 51.46 1xwe s LEU 1521Cb 0.00 -2.25 0.10 0.00 0.03 0.00 0.00 46.19 44.07 1xwe s LEU 1521CO 0.00 -0.92 0.24 -1.81 0.23 0.00 0.00 176.35 174.09 1xwe s ASP 1522N 3.48 1.23 0.00 2.29 1.11 -1.26 -5.00 116.67 118.52 1xwe s ASP 1522Ca 0.06 -0.16 0.12 0.00 0.18 0.00 0.00 52.55 52.75 1xwe s ASP 1522Cb -0.27 0.47 0.69 0.00 1.07 0.00 0.00 42.92 44.87 1xwe s ASP 1522CO 0.05 -0.32 1.39 0.18 1.18 0.00 0.00 175.17 177.64 1xwe n LEU 1523N 5.32 0.00 0.28 1.23 4.77 -1.26 -3.50 117.00 123.84 1xwe n LEU 1523Ca -0.05 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.09 1xwe n LEU 1523Cb 0.50 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 42.36 1xwe n LEU 1523CO 0.08 0.00 1.00 0.71 -1.33 0.00 0.00 177.39 177.85 1xwe h THR 1524N 0.00 0.20 -2.96 -5.08 1.35 -2.02 -3.42 112.91 100.98 1xwe h THR 1524Ca 0.00 -0.50 -0.63 0.00 -0.55 0.00 0.00 66.41 64.73 1xwe h THR 1524Cb 0.00 1.41 -0.09 0.00 -1.73 0.00 0.00 68.15 67.74 1xwe h THR 1524CO 0.00 0.06 -0.42 -0.63 -0.25 0.00 0.00 175.52 174.28 1xwe s ILE 1525N -3.88 5.39 0.50 6.82 1.01 -1.23 -5.10 121.20 124.71 1xwe s ILE 1525Ca -0.01 0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.97 1xwe s ILE 1525Cb 0.11 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 39.08 1xwe s ILE 1525CO 0.54 0.53 0.74 -0.55 0.00 0.00 0.00 174.94 176.20 1xwe s SER 1526N -0.43 5.71 0.48 3.58 0.15 -1.26 -4.99 113.70 116.94 1xwe s SER 1526Ca 0.15 0.37 0.26 0.00 0.70 0.00 0.00 55.95 57.42 1xwe s SER 1526Cb -0.13 -1.51 1.19 0.00 -1.71 0.00 0.00 66.02 63.86 1xwe s SER 1526CO 0.04 -0.84 1.95 0.00 1.20 0.00 0.00 173.24 175.58 1xwe h ALA 1527N 0.21 1.14 0.00 5.45 0.00 -1.98 -2.82 119.26 121.26 1xwe h ALA 1527Ca -0.46 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.08 1xwe h ALA 1527Cb 1.26 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1xwe h ALA 1527CO 0.58 0.22 -1.75 0.39 0.00 0.00 0.00 179.25 178.68 1xwe n GLU 1528N -3.51 0.64 -0.27 0.00 1.02 -1.26 -3.55 120.64 113.72 1xwe n GLU 1528Ca -0.01 0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 57.21 1xwe n GLU 1528Cb 0.34 -1.71 0.06 0.00 -0.02 0.00 0.00 31.44 30.11 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 1.23 0.00 2.62 2.02 -1.89 -1.60 112.91 115.29 1xwe h THR 1529Ca -0.25 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1xwe h THR 1529Cb 1.74 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1xwe h THR 1529CO 0.04 0.25 -0.32 -2.11 0.37 0.00 0.00 175.52 173.75 1xwe n ARG 1530N -4.46 0.06 0.08 6.66 1.85 -1.16 -3.57 116.66 116.12 1xwe n ARG 1530Ca 0.06 0.03 -0.01 0.00 -1.00 0.00 0.00 57.85 56.93 1xwe n ARG 1530Cb 0.10 -1.55 -0.05 0.00 -1.05 0.00 0.00 32.46 29.90 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 0.00 -0.17 2.89 3.11 -1.43 -3.27 116.57 117.69 1xwe h LYS 1531Ca 0.00 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 57.89 1xwe h LYS 1531Cb 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.78 1xwe h LYS 1531CO 0.00 0.55 0.36 1.96 -2.81 0.00 0.00 179.45 179.51 1xwe h GLN 1532N 0.00 0.00 0.11 1.90 1.08 -1.37 0.34 115.11 117.17 1xwe h GLN 1532Ca -0.08 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.84 1xwe h GLN 1532Cb 1.59 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.01 1xwe h GLN 1532CO 0.08 0.00 -1.39 1.15 -0.95 0.00 0.00 178.83 177.71 1xwe h THR 1533N 0.00 1.31 0.00 -0.54 2.02 -1.79 -3.26 112.91 110.66 1xwe h THR 1533Ca 0.08 -2.93 0.00 0.00 0.77 0.00 0.00 66.41 64.33 1xwe h THR 1533Cb 0.80 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1xwe h THR 1533CO -0.00 0.85 0.00 0.00 0.37 0.00 0.00 175.52 176.73 1xwe n ALA 1534N -2.59 1.21 -3.20 6.16 0.00 0.12 -3.06 120.51 119.14 1xwe n ALA 1534Ca -0.12 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 1xwe n ALA 1534Cb 1.03 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 1xwe n ALA 1534CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwe s LYS 1536N -2.92 0.60 0.37 0.00 1.02 -1.17 -5.01 119.74 112.62 1xwe s LYS 1536Ca 0.44 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.66 1xwe s LYS 1536Cb 0.21 0.23 0.70 0.00 -0.52 0.00 0.00 37.83 38.45 1xwe s LYS 1536CO -0.07 -0.15 1.96 -1.00 -0.92 0.00 0.00 175.35 175.17 1xwe h PRO 1537N 3.57 0.57 0.00 -1.68 0.13 -1.96 -1.20 132.00 131.42 1xwe h PRO 1537Ca -0.33 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1xwe h PRO 1537Cb 1.18 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xwe h PRO 1537CO 0.52 0.48 0.00 -0.85 -0.23 0.00 0.00 178.00 177.92 1xwe n GLU 1538N -4.37 0.34 -3.82 0.86 0.28 -1.26 -4.61 120.64 108.05 1xwe n GLU 1538Ca 0.03 0.04 -0.36 0.00 -0.16 0.00 0.00 57.16 56.70 1xwe n GLU 1538Cb 0.15 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.39 1xwe n GLU 1538CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1xwe s ILE 1539N -2.61 3.66 -0.19 3.84 1.09 -0.45 -0.87 121.20 125.67 1xwe s ILE 1539Ca 0.24 -0.73 -0.16 0.00 -1.10 0.00 0.00 60.65 58.91 1xwe s ILE 1539Cb 0.17 -2.85 -0.10 0.00 -1.06 0.00 0.00 42.46 38.62 1xwe s ILE 1539CO 0.40 0.16 -0.09 0.00 -0.10 0.00 0.00 174.94 175.31 1xwe n ALA 1540N 4.81 0.74 -2.52 9.38 0.00 0.70 -4.53 120.51 129.09 1xwe n ALA 1540Ca -0.15 -0.61 -0.26 0.00 0.00 0.00 0.00 53.44 52.43 1xwe n ALA 1540Cb 0.48 -0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 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 -2.42 2.56 -0.29 0.00 -0.85 -0.93 -4.39 117.35 111.03 1xwe s TYR 1541Ca -0.25 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 55.75 1xwe s TYR 1541Cb 0.06 -1.72 0.19 0.00 0.38 0.00 0.00 41.96 40.86 1xwe s TYR 1541CO 0.42 0.37 0.57 0.00 -1.52 0.00 0.00 175.55 175.40 1xwe s ALA 1542N -2.60 -2.16 0.37 9.51 0.00 -0.83 -1.16 121.76 124.91 1xwe s ALA 1542Ca 0.37 1.55 -0.14 0.00 0.00 0.00 0.00 51.96 53.74 1xwe s ALA 1542Cb 0.04 -2.20 0.04 0.00 0.00 0.00 0.00 23.12 21.00 1xwe s ALA 1542CO 0.20 -1.44 0.73 1.52 0.00 0.00 0.00 175.76 176.77 1xwe s TYR 1543N 2.82 0.27 -0.14 0.00 -0.85 -0.46 0.64 117.35 119.64 1xwe s TYR 1543Ca 0.18 -0.86 -0.03 0.00 -0.52 0.00 0.00 57.07 55.84 1xwe s TYR 1543Cb -0.14 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1xwe s TYR 1543CO -0.22 -1.48 -0.05 0.21 -1.52 0.00 0.00 175.55 172.49 1xwe s LYS 1544N -2.52 3.47 0.40 -3.49 2.20 -0.88 -2.09 119.74 116.84 1xwe s LYS 1544Ca 0.18 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.30 1xwe s LYS 1544Cb -0.04 -2.83 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 1xwe s LYS 1544CO 0.13 0.33 0.16 0.14 -0.36 0.00 0.00 175.35 175.74 1xwe s VAL 1545N 0.11 0.48 -0.13 4.02 -7.23 -0.89 -0.08 120.40 116.67 1xwe s VAL 1545Ca -0.01 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 1xwe s VAL 1545Cb -0.14 -2.34 0.06 0.00 0.56 0.00 0.00 36.38 34.52 1xwe s VAL 1545CO 0.03 0.00 0.29 -0.55 -0.31 0.00 0.00 175.10 174.56 1xwe s SER 1546N -3.58 -0.05 0.52 4.85 0.15 -0.65 -1.45 113.70 113.50 1xwe s SER 1546Ca 0.25 0.65 -0.22 0.00 0.70 0.00 0.00 55.95 57.33 1xwe s SER 1546Cb 0.02 0.68 -0.06 0.00 -1.71 0.00 0.00 66.02 64.95 1xwe s SER 1546CO 0.16 -0.21 1.35 -0.63 1.20 0.00 0.00 173.24 175.12 1xwe s ILE 1547N 1.90 2.17 0.00 6.45 -1.09 -0.33 -2.09 121.20 128.21 1xwe s ILE 1547Ca -0.04 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1xwe s ILE 1547Cb -0.11 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1xwe s ILE 1547CO -0.10 0.00 0.00 1.07 -1.23 0.00 0.00 174.94 174.69 1xwe n THR 1548N -0.84 0.00 -3.78 2.92 5.66 -1.13 -1.05 114.28 116.06 1xwe n THR 1548Ca 0.09 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.97 1xwe n THR 1548Cb 0.45 0.48 -0.12 0.00 -1.55 0.00 0.00 70.33 69.58 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1xwe s SER 1549N 0.00 -0.21 -0.04 1.09 0.01 0.02 -4.85 113.70 109.72 1xwe s SER 1549Ca 0.00 0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.69 1xwe s SER 1549Cb 0.00 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.64 1xwe s SER 1549CO 0.00 -0.10 -0.03 -0.63 0.41 0.00 0.00 173.24 172.90 1xwe s ILE 1550N 0.44 0.41 -0.30 1.44 1.01 -1.26 -0.49 121.20 122.45 1xwe s ILE 1550Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 1xwe s ILE 1550Cb -0.04 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 42.01 1xwe s ILE 1550CO -0.02 0.20 -0.01 -0.89 0.00 0.00 0.00 174.94 174.22 1xwe s THR 1551N 1.04 2.97 -0.21 2.92 2.01 -0.73 -5.01 115.64 118.64 1xwe s THR 1551Ca -0.09 -1.36 -0.04 0.00 0.31 0.00 0.00 61.69 60.51 1xwe s THR 1551Cb -0.14 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1xwe s THR 1551CO -0.01 -0.08 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.12 1xwe s VAL 1552N 1.26 3.63 -0.01 3.82 1.01 -1.26 -1.90 120.40 126.94 1xwe s VAL 1552Ca -0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1xwe s VAL 1552Cb -0.20 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1xwe s VAL 1552CO -0.01 0.43 -0.03 1.21 0.00 0.00 0.00 175.10 176.69 1xwe n GLU 1553N 4.50 0.05 0.16 2.72 4.07 -1.26 -5.09 120.64 125.79 1xwe n GLU 1553Ca -0.18 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 56.94 1xwe n GLU 1553Cb 0.51 -0.40 0.00 0.00 -0.06 0.00 0.00 31.44 31.49 1xwe n GLU 1553CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1xwe n ASN 1554N -2.76 -2.84 -0.07 4.31 4.05 -1.26 -5.02 115.26 111.68 1xwe n ASN 1554Ca -0.01 0.73 -0.14 0.00 0.45 0.00 0.00 54.58 55.61 1xwe n ASN 1554Cb 0.05 2.78 -0.05 0.00 1.23 0.00 0.00 39.78 43.79 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1xwe n VAL 1555N -3.24 0.83 -3.00 3.44 0.31 -1.26 -4.96 118.33 110.45 1xwe n VAL 1555Ca 0.00 -0.15 -0.41 0.00 -0.01 0.00 0.00 64.34 63.77 1xwe n VAL 1555Cb 0.00 -1.72 -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 -2.28 3.30 0.06 3.52 0.08 -1.26 -2.24 117.98 119.16 1xwe s PHE 1556Ca -0.19 0.98 0.04 0.00 0.12 0.00 0.00 56.93 57.88 1xwe s PHE 1556Cb 0.07 -2.95 -0.04 0.00 -0.57 0.00 0.00 43.02 39.54 1xwe s PHE 1556CO 0.24 -0.36 -0.02 0.08 -0.10 0.00 0.00 175.22 175.06 1xwe s VAL 1557N 2.67 3.93 0.09 -0.44 1.01 -0.85 -4.01 120.40 122.80 1xwe s VAL 1557Ca 0.31 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1xwe s VAL 1557Cb -0.15 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1xwe s VAL 1557CO 0.08 0.22 -0.12 -0.54 0.00 0.00 0.00 175.10 174.73 1xwe s LYS 1558N -2.00 0.85 -0.31 2.72 1.02 -0.80 -1.35 119.74 119.88 1xwe s LYS 1558Ca 0.23 -1.08 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 1xwe s LYS 1558Cb -0.11 -0.70 0.10 0.00 -0.52 0.00 0.00 37.83 36.60 1xwe s LYS 1558CO 0.14 0.13 0.13 0.71 -0.92 0.00 0.00 175.35 175.55 1xwe s TYR 1559N -1.90 0.80 -0.13 3.18 2.02 -0.10 -1.77 117.35 119.45 1xwe s TYR 1559Ca 0.02 -1.24 -0.24 0.00 -0.37 0.00 0.00 57.07 55.24 1xwe s TYR 1559Cb -0.06 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1xwe s TYR 1559CO 0.01 -0.84 0.75 0.15 -1.57 0.00 0.00 175.55 174.05 1xwe s LYS 1560N 1.81 4.34 0.38 -0.62 1.02 0.36 -2.10 119.74 124.93 1xwe s LYS 1560Ca 0.10 0.90 0.04 0.00 0.02 0.00 0.00 55.97 57.04 1xwe s LYS 1560Cb -0.17 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.59 1xwe s LYS 1560CO -0.29 -0.16 0.16 0.00 -0.92 0.00 0.00 175.35 174.14 1xwe s ALA 1561N 1.57 2.64 0.06 5.17 0.00 -0.78 -0.80 121.76 129.61 1xwe s ALA 1561Ca 0.37 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.97 1xwe s ALA 1561Cb -0.17 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1xwe s ALA 1561CO 0.15 -0.42 -0.21 0.99 0.00 0.00 0.00 175.76 176.27 1xwe s THR 1562N -3.29 2.56 -0.21 0.00 2.01 -0.89 -2.56 115.64 113.26 1xwe s THR 1562Ca 0.28 -1.32 -0.29 0.00 0.31 0.00 0.00 61.69 60.67 1xwe s THR 1562Cb 0.03 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1xwe s THR 1562CO 0.17 0.31 1.15 -0.22 -0.69 0.00 0.00 174.62 175.34 1xwe s LEU 1563N -1.49 4.12 0.07 4.42 2.96 -1.09 -1.63 118.68 126.03 1xwe s LEU 1563Ca 0.14 1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 55.43 1xwe s LEU 1563Cb -0.10 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.78 1xwe s LEU 1563CO 0.05 -0.74 1.12 -0.07 -1.32 0.00 0.00 176.35 175.39 1xwe h LEU 1564N 9.67 0.74 -7.00 -0.68 -0.00 -0.80 -3.04 115.31 114.20 1xwe h LEU 1564Ca -0.23 -0.71 0.13 0.00 -0.00 0.00 0.00 57.88 57.08 1xwe h LEU 1564Cb 1.08 -0.24 -0.26 0.00 -0.00 0.00 0.00 40.66 41.24 1xwe h LEU 1564CO 0.98 1.53 0.68 -0.62 -0.00 0.00 0.00 178.44 181.01 1xwe s ASP 1565N -7.36 -0.25 -0.10 -0.43 -1.08 -0.91 -4.72 116.67 101.82 1xwe s ASP 1565Ca -0.08 0.36 -0.19 0.00 -0.52 0.00 0.00 52.55 52.12 1xwe s ASP 1565Cb 0.06 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.80 1xwe s ASP 1565CO 0.92 -0.17 0.53 -0.63 0.52 0.00 0.00 175.17 176.34 1xwe s ILE 1566N -0.63 5.14 -0.02 4.11 1.01 -1.26 -2.07 121.20 127.47 1xwe s ILE 1566Ca 0.03 1.08 0.09 0.00 0.00 0.00 0.00 60.65 61.86 1xwe s ILE 1566Cb -0.02 -3.87 -0.14 0.00 0.01 0.00 0.00 42.46 38.43 1xwe s ILE 1566CO -0.05 0.32 0.21 -1.22 0.00 0.00 0.00 174.94 174.20 1xwe n TYR 1567N 3.60 0.00 -3.15 3.97 4.02 -0.54 -4.93 117.16 120.13 1xwe n TYR 1567Ca -0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.87 1xwe n TYR 1567Cb 0.52 -0.21 -0.01 0.00 -0.02 0.00 0.00 39.34 39.62 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 -2.63 0.56 0.24 -0.72 2.20 0.21 -4.40 119.74 115.20 1xwe s LYS 1568Ca -0.03 0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 56.17 1xwe s LYS 1568Cb 0.06 0.46 -0.16 0.00 -1.51 0.00 0.00 37.83 36.68 1xwe s LYS 1568CO 0.39 -0.74 0.49 2.41 -0.36 0.00 0.00 175.35 177.54 1xwe n THR 1569N 5.43 1.80 -4.12 3.43 -1.04 -1.26 -1.96 114.28 116.56 1xwe n THR 1569Ca 0.01 -0.50 -0.35 0.00 -2.04 0.00 0.00 64.05 61.17 1xwe n THR 1569Cb 0.52 -0.08 -0.09 0.00 -1.82 0.00 0.00 70.33 68.86 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 -0.97 1.93 0.62 3.41 0.00 -1.26 -4.34 107.32 106.71 1xwe s GLY 1570Ca 0.63 -0.75 0.42 0.00 0.00 0.00 0.00 44.72 45.02 1xwe s GLY 1570CO 0.57 -0.24 2.28 0.83 0.00 0.00 0.00 173.10 176.54 1xwe h GLU 1571N 5.84 0.00 -2.33 2.90 4.39 -1.93 -2.14 114.58 121.31 1xwe h GLU 1571Ca -0.45 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.76 1xwe h GLU 1571Cb 1.19 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.75 1xwe h GLU 1571CO 0.62 0.00 1.28 0.00 -1.16 0.00 0.00 179.01 179.75 1xwe n ALA 1572N -2.04 6.74 -4.30 3.43 0.00 -1.26 -4.70 120.51 118.38 1xwe n ALA 1572Ca -0.03 -2.98 -0.38 0.00 0.00 0.00 0.00 53.44 50.05 1xwe n ALA 1572Cb 0.07 -2.58 -0.05 0.00 0.00 0.00 0.00 19.45 16.88 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 2.12 -0.42 -1.92 0.00 3.14 -1.14 -4.84 118.33 115.26 1xwe n VAL 1573Ca 0.56 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 61.53 1xwe n VAL 1573Cb 0.54 -0.97 -0.02 0.00 -1.06 0.00 0.00 33.84 32.33 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 -3.19 3.63 0.04 1.55 0.00 -0.82 -5.00 121.76 117.96 1xwe s ALA 1574Ca 0.76 1.43 -0.09 0.00 0.00 0.00 0.00 51.96 54.06 1xwe s ALA 1574Cb -0.43 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1xwe s ALA 1574CO 0.93 -0.85 0.17 -1.83 0.00 0.00 0.00 175.76 174.18 1xwe s GLU 1575N -0.93 0.66 0.10 0.00 -1.05 -1.26 -4.53 118.70 111.68 1xwe s GLU 1575Ca 0.58 -0.63 -0.36 0.00 -0.15 0.00 0.00 54.97 54.40 1xwe s GLU 1575Cb -0.44 0.27 -0.17 0.00 -0.44 0.00 0.00 34.13 33.35 1xwe s GLU 1575CO 0.50 -0.18 1.25 1.63 0.95 0.00 0.00 175.26 179.40 1xwe n LYS 1576N 0.77 0.98 -3.90 -4.83 5.02 -1.26 -2.24 118.16 112.70 1xwe n LYS 1576Ca -0.19 0.35 -0.36 0.00 -2.02 0.00 0.00 58.31 56.08 1xwe n LYS 1576Cb 0.58 -1.93 0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1xwe n LYS 1576CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1xwe n ASP 1577N 2.26 -4.66 -1.51 4.39 5.75 -1.15 -4.98 116.55 116.65 1xwe n ASP 1577Ca 0.18 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.84 1xwe n ASP 1577Cb 0.19 -2.04 0.00 0.00 -1.03 0.00 0.00 41.12 38.24 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1xwe n SER 1578N -2.35 0.00 -4.47 -1.12 3.41 -0.95 -4.72 113.62 103.41 1xwe n SER 1578Ca -0.17 -0.73 -0.33 0.00 -0.26 0.00 0.00 58.87 57.37 1xwe n SER 1578Cb 0.60 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.75 3.27 0.05 4.33 2.12 -1.26 -2.68 118.70 123.78 1xwe s GLU 1579Ca 0.00 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1xwe s GLU 1579Cb 0.00 -2.70 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1xwe s GLU 1579CO 0.00 0.36 -0.10 0.96 -0.54 0.00 0.00 175.26 175.94 1xwe s ILE 1580N -0.00 0.73 -0.27 -3.70 -4.36 -1.06 -5.02 121.20 107.51 1xwe s ILE 1580Ca -0.01 -1.13 -0.03 0.00 -0.26 0.00 0.00 60.65 59.22 1xwe s ILE 1580Cb -0.14 -0.76 0.09 0.00 1.25 0.00 0.00 42.46 42.91 1xwe s ILE 1580CO 0.03 -0.31 0.10 -0.89 0.24 0.00 0.00 174.94 174.11 1xwe s THR 1581N -1.31 0.32 -0.35 8.37 2.01 -1.26 -1.86 115.64 121.56 1xwe s THR 1581Ca -0.07 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 60.85 1xwe s THR 1581Cb -0.10 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 71.22 1xwe s THR 1581CO 0.01 -0.61 0.51 -0.36 -0.69 0.00 0.00 174.62 173.48 1xwe s PHE 1582N 1.91 3.18 -0.03 4.92 0.08 -0.89 -0.57 117.98 126.58 1xwe s PHE 1582Ca 0.07 0.18 -0.03 0.00 0.12 0.00 0.00 56.93 57.28 1xwe s PHE 1582Cb -0.17 -2.92 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 1xwe s PHE 1582CO -0.27 -0.53 0.16 0.96 -0.10 0.00 0.00 175.22 175.43 1xwe s ILE 1583N 2.39 5.31 0.14 0.64 -4.36 -0.89 -0.92 121.20 123.51 1xwe s ILE 1583Ca 0.19 -0.14 -0.12 0.00 -0.26 0.00 0.00 60.65 60.32 1xwe s ILE 1583Cb -0.15 -3.44 0.01 0.00 1.25 0.00 0.00 42.46 40.12 1xwe s ILE 1583CO 0.13 0.39 0.32 -1.59 0.24 0.00 0.00 174.94 174.42 1xwe s LYS 1584N -1.73 1.08 0.43 0.37 0.00 -0.46 -2.64 119.74 116.79 1xwe s LYS 1584Ca 0.24 -0.96 -0.09 0.00 0.00 0.00 0.00 55.97 55.16 1xwe s LYS 1584Cb -0.12 0.41 -0.06 0.00 0.00 0.00 0.00 37.83 38.06 1xwe s LYS 1584CO 0.15 -0.40 0.78 0.15 0.00 0.00 0.00 175.35 176.03 1xwe s LYS 1585N -3.89 3.72 0.53 1.78 1.02 -1.26 -2.01 119.74 119.63 1xwe s LYS 1585Ca 0.09 0.41 0.22 0.00 0.02 0.00 0.00 55.97 56.71 1xwe s LYS 1585Cb 0.03 -2.38 1.41 0.00 -0.52 0.00 0.00 37.83 36.37 1xwe s LYS 1585CO -0.06 -0.09 2.13 -0.24 -0.92 0.00 0.00 175.35 176.17 1xwe h VAL 1586N 0.86 0.81 0.00 3.17 3.04 -1.82 -1.32 116.25 120.99 1xwe h VAL 1586Ca -0.47 -0.24 -0.02 0.00 -1.01 0.00 0.00 66.70 64.96 1xwe h VAL 1586Cb 1.19 1.14 -0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1xwe h VAL 1586CO 0.63 0.06 -0.07 0.71 -1.01 0.00 0.00 177.57 177.89 1xwe h THR 1587N 0.00 0.43 -0.69 3.17 1.35 -1.87 -3.40 112.91 111.90 1xwe h THR 1587Ca -0.00 -0.38 -0.17 0.00 -0.55 0.00 0.00 66.41 65.32 1xwe h THR 1587Cb 0.14 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1xwe h THR 1587CO 0.01 0.07 0.48 0.00 -0.25 0.00 0.00 175.52 175.83 1xwe n THR 1589N 8.36 0.00 -0.02 0.00 5.66 -1.25 -4.33 114.28 122.70 1xwe n THR 1589Ca 0.42 -0.47 0.02 0.00 -3.05 0.00 0.00 64.05 60.97 1xwe n THR 1589Cb 0.46 1.35 -0.14 0.00 -1.55 0.00 0.00 70.33 70.46 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 0.85 0.26 -4.07 1.09 4.13 -1.26 -4.81 115.26 111.45 1xwe n ASN 1590Ca 0.10 0.11 -0.32 0.00 1.68 0.00 0.00 54.58 56.15 1xwe n ASN 1590Cb 0.44 1.15 -0.15 0.00 -1.54 0.00 0.00 39.78 39.69 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xwe s ALA 1591N -3.05 2.74 0.01 5.41 0.00 -1.26 -3.70 121.76 121.92 1xwe s ALA 1591Ca -0.07 -2.07 0.06 0.00 0.00 0.00 0.00 51.96 49.89 1xwe s ALA 1591Cb 0.10 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1xwe s ALA 1591CO 0.85 -1.40 -0.20 -2.00 0.00 0.00 0.00 175.76 173.01 1xwe s GLU 1592N 1.06 1.45 0.24 0.00 2.12 -1.26 -4.94 118.70 117.37 1xwe s GLU 1592Ca -0.01 -0.80 0.10 0.00 0.36 0.00 0.00 54.97 54.62 1xwe s GLU 1592Cb -0.20 -1.48 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 1xwe s GLU 1592CO -0.05 0.39 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.43 1xwe s LEU 1593N -0.81 2.87 -0.02 2.70 1.43 -1.26 -5.13 118.68 118.45 1xwe s LEU 1593Ca 0.07 -0.78 0.08 0.00 -1.03 0.00 0.00 54.13 52.47 1xwe s LEU 1593Cb -0.08 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1xwe s LEU 1593CO 0.00 0.05 -0.26 -0.69 0.23 0.00 0.00 176.35 175.69 1xwe s VAL 1594N -2.17 2.07 -0.35 -1.59 1.01 -1.26 -5.07 120.40 113.04 1xwe s VAL 1594Ca 0.28 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1xwe s VAL 1594Cb -0.07 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1xwe s VAL 1594CO 0.16 0.58 2.07 -0.75 0.00 0.00 0.00 175.10 177.17 1xwe s LYS 1595N -0.57 2.96 0.00 2.72 2.20 -1.26 -2.34 119.74 123.44 1xwe s LYS 1595Ca 0.09 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 1xwe s LYS 1595Cb -0.10 -4.35 0.00 0.00 -1.51 0.00 0.00 37.83 31.86 1xwe s LYS 1595CO -0.01 -2.30 0.00 0.41 -0.36 0.00 0.00 175.35 173.09 1xwe n GLY 1596N 5.69 0.80 3.19 5.54 0.00 -0.21 -4.94 105.19 115.26 1xwe n GLY 1596Ca 0.28 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.91 1.13 -0.12 1.61 6.06 -0.99 -4.91 118.95 119.83 1xwe s ARG 1597Ca 0.00 -0.85 -0.18 0.00 -2.50 0.00 0.00 55.73 52.20 1xwe s ARG 1597Cb 0.00 -1.20 -0.04 0.00 0.06 0.00 0.00 34.95 33.77 1xwe s ARG 1597CO 0.00 0.30 0.49 -0.65 -2.50 0.00 0.00 175.30 172.94 1xwe s GLN 1598N -1.18 4.34 0.08 5.12 -0.21 -1.26 -1.19 119.66 125.35 1xwe s GLN 1598Ca 0.04 0.47 0.01 0.00 0.02 0.00 0.00 55.36 55.90 1xwe s GLN 1598Cb -0.08 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 1xwe s GLN 1598CO 0.02 0.15 -0.05 0.71 -2.12 0.00 0.00 175.29 173.99 1xwe s TYR 1599N 0.66 0.73 -0.19 0.91 2.02 -0.53 -2.04 117.35 118.91 1xwe s TYR 1599Ca 0.27 -0.94 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 1xwe s TYR 1599Cb -0.15 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 1xwe s TYR 1599CO 0.11 -0.23 0.08 -1.17 -1.57 0.00 0.00 175.55 172.77 1xwe s LEU 1600N -2.89 3.93 -0.05 -1.29 0.20 0.20 -2.10 118.68 116.67 1xwe s LEU 1600Ca 0.08 0.12 0.00 0.00 0.69 0.00 0.00 54.13 55.03 1xwe s LEU 1600Cb 0.05 -2.00 0.02 0.00 -0.43 0.00 0.00 46.19 43.83 1xwe s LEU 1600CO -0.06 0.17 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.50 1xwe s ILE 1601N 0.41 0.49 -0.24 6.68 1.01 -0.89 -1.96 121.20 126.70 1xwe s ILE 1601Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.59 1xwe s ILE 1601Cb -0.12 -0.55 0.12 0.00 0.01 0.00 0.00 42.46 41.92 1xwe s ILE 1601CO -0.00 0.23 0.45 0.00 0.00 0.00 0.00 174.94 175.62 1xwe s MET 1602N 1.21 0.39 0.00 2.79 0.23 -0.93 -1.36 119.30 121.63 1xwe s MET 1602Ca -0.07 0.91 0.00 0.00 -1.03 0.00 0.00 55.69 55.50 1xwe s MET 1602Cb -0.14 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.31 1xwe s MET 1602CO -0.02 -0.42 0.00 0.41 -2.03 0.00 0.00 175.02 172.96 1xwe n GLY 1603N 5.39 -0.59 3.28 3.16 0.00 -0.31 -1.26 105.19 114.86 1xwe n GLY 1603Ca -0.06 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1xwe n GLY 1603CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwe n LYS 1604N 0.00 0.11 -0.49 1.61 3.00 -0.05 -0.21 118.16 122.13 1xwe n LYS 1604Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1xwe n LYS 1604Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 33.69 1xwe n LYS 1604CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1xwe n GLU 1605N 0.81 0.99 -4.60 1.64 0.28 -1.26 -4.61 120.64 113.88 1xwe n GLU 1605Ca 0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.74 1xwe n GLU 1605Cb 0.50 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.21 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 -2.75 2.28 -0.36 -1.84 0.00 -1.26 -4.68 121.76 113.15 1xwe s ALA 1606Ca 0.00 -1.10 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 1xwe s ALA 1606Cb 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.13 1xwe s ALA 1606CO 0.00 -0.06 0.15 -0.51 0.00 0.00 0.00 175.76 175.34 1xwe s LEU 1607N 0.86 4.57 0.00 0.00 2.01 -1.26 -4.79 118.68 120.07 1xwe s LEU 1607Ca -0.06 -1.23 0.00 0.00 0.01 0.00 0.00 54.13 52.86 1xwe s LEU 1607Cb -0.15 -1.91 0.00 0.00 0.01 0.00 0.00 46.19 44.14 1xwe s LEU 1607CO -0.03 -0.38 0.00 0.00 1.01 0.00 0.00 176.35 176.95 1xwe n GLN 1608N 4.85 0.00 -2.13 1.70 1.13 -1.26 -4.90 117.38 116.77 1xwe n GLN 1608Ca -0.11 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1xwe n GLN 1608Cb 0.44 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.79 1xwe n GLN 1608CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1xwe n ILE 1609N -0.49-11.45 -1.66 5.09 5.41 0.11 -4.58 119.36 111.78 1xwe n ILE 1609Ca 0.00 2.60 -0.50 0.00 1.00 0.00 0.00 62.75 65.84 1xwe n ILE 1609Cb 0.00 -5.60 -0.05 0.00 -0.71 0.00 0.00 39.64 33.27 1xwe n ILE 1609CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1xwe n LYS 1610N 1.50 1.67 -3.34 0.38 4.81 -1.23 -4.07 118.16 117.88 1xwe n LYS 1610Ca -0.02 0.60 -0.13 0.00 -0.87 0.00 0.00 58.31 57.89 1xwe n LYS 1610Cb 0.04 -2.34 -0.07 0.00 0.02 0.00 0.00 35.03 32.68 1xwe n LYS 1610CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1xwe s TYR 1611N 1.95 -0.69 0.00 5.64 2.02 -1.26 -4.85 117.35 120.15 1xwe s TYR 1611Ca 0.87 -0.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.36 1xwe s TYR 1611Cb -0.84 -0.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.44 1xwe s TYR 1611CO 0.49 -0.98 0.00 0.09 -1.57 0.00 0.00 175.55 173.57 1xwe n ASN 1612N 4.87 0.00 0.00 2.29 5.03 -1.26 -4.01 115.26 122.17 1xwe n ASN 1612Ca 0.05 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.50 1xwe n ASN 1612Cb 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 1xwe n ASN 1612CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwe n ALA 1613N 3.96 0.00 -3.15 5.41 0.00 -1.26 -4.84 120.51 120.63 1xwe n ALA 1613Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1xwe n ALA 1613Cb 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.99 -0.06 0.00 0.00 1.04 -1.26 -5.18 113.70 105.25 1xwe s SER 1614Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1xwe s SER 1614Cb 0.00 1.04 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1xwe s SER 1614CO 0.00 -0.01 0.00 0.49 0.98 0.00 0.00 173.24 174.70 1xwe n PHE 1615N 5.11 -0.16 0.00 5.02 3.72 -1.26 -4.88 117.46 125.01 1xwe n PHE 1615Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1xwe n PHE 1615Cb 0.58 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.12 1xwe n PHE 1615CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1xwe n ARG 1616N 0.00 0.00 0.00 -1.08 0.63 -1.26 -3.92 116.66 111.04 1xwe n ARG 1616Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1xwe n ARG 1616Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1xwe n ARG 1616CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1xwe n TYR 1617N 0.00 0.00 -5.00 -0.14 4.02 -1.26 0.04 117.16 114.82 1xwe n TYR 1617Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 1xwe n TYR 1617Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.15 1xwe n TYR 1617CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1xwe s ILE 1618N 0.00 2.01 -0.08 -0.72 -4.36 -1.26 -4.72 121.20 112.07 1xwe s ILE 1618Ca 0.00 -0.98 -0.27 0.00 -0.26 0.00 0.00 60.65 59.14 1xwe s ILE 1618Cb 0.00 -1.75 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 1xwe s ILE 1618CO 0.00 0.55 0.89 -0.31 0.24 0.00 0.00 174.94 176.31 1xwe s TYR 1619N 0.52 3.55 0.88 1.37 1.51 0.27 -4.59 117.35 120.85 1xwe s TYR 1619Ca -0.15 1.47 -0.12 0.00 -1.01 0.00 0.00 57.07 57.26 1xwe s TYR 1619Cb -0.17 -3.05 0.12 0.00 -0.11 0.00 0.00 41.96 38.75 1xwe s TYR 1619CO 0.05 -0.10 1.17 -1.25 -1.11 0.00 0.00 175.55 174.31 1xwe s PRO 1620N 1.50 1.43 -0.32 -1.71 0.04 -1.26 -2.09 135.00 132.58 1xwe s PRO 1620Ca 0.45 0.16 -0.02 0.00 0.04 0.00 0.00 61.00 61.63 1xwe s PRO 1620Cb -0.19 -1.88 0.12 0.00 0.04 0.00 0.00 34.50 32.59 1xwe s PRO 1620CO 0.20 -1.98 0.17 -1.17 0.04 0.00 0.00 177.00 174.26 1xwe s LEU 1621N -5.84 0.81 0.00 -3.56 2.96 -1.08 -4.66 118.68 107.31 1xwe s LEU 1621Ca 0.64 -1.75 0.00 0.00 -0.22 0.00 0.00 54.13 52.80 1xwe s LEU 1621Cb -0.12 -0.39 -0.00 0.00 0.50 0.00 0.00 46.19 46.17 1xwe s LEU 1621CO 0.51 -0.37 0.01 0.47 -1.32 0.00 0.00 176.35 175.65 1xwe n ASP 1622N 4.63 2.04 -0.21 3.68 9.92 -0.97 -4.59 116.55 131.05 1xwe n ASP 1622Ca 0.03 -1.67 0.06 0.00 -0.53 0.00 0.00 54.79 52.68 1xwe n ASP 1622Cb 0.39 0.16 0.26 0.00 -0.64 0.00 0.00 41.12 41.30 1xwe n ASP 1622CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1xwe n SER 1623N -1.32 0.61 -0.04 -2.24 2.88 -1.24 -3.39 113.62 108.89 1xwe n SER 1623Ca -0.05 -1.77 -0.10 0.00 -1.33 0.00 0.00 58.87 55.62 1xwe n SER 1623Cb 0.19 -0.06 -0.14 0.00 -0.75 0.00 0.00 64.21 63.45 1xwe n SER 1623CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwe n LEU 1624N -0.27 0.81 -4.73 2.46 -0.00 -1.26 -4.86 117.00 109.15 1xwe n LEU 1624Ca 0.09 0.29 -0.41 0.00 -0.00 0.00 0.00 56.01 55.98 1xwe n LEU 1624Cb 0.13 0.15 -0.04 0.00 -0.00 0.00 0.00 43.42 43.66 1xwe n LEU 1624CO 0.07 0.45 0.68 -0.89 -0.00 0.00 0.00 177.39 177.70 1xwe s THR 1625N -2.57 4.50 -0.03 1.47 2.01 -1.22 -4.77 115.64 115.04 1xwe s THR 1625Ca -0.08 2.04 -0.30 0.00 0.31 0.00 0.00 61.69 63.66 1xwe s THR 1625Cb 0.07 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1xwe s THR 1625CO 0.82 0.29 1.09 0.86 -0.69 0.00 0.00 174.62 176.99 1xwe s TRP 1626N 0.12 3.46 -0.15 4.92 -0.11 -0.39 -4.92 118.94 121.87 1xwe s TRP 1626Ca 0.48 1.47 -0.02 0.00 1.22 0.00 0.00 56.10 59.25 1xwe s TRP 1626Cb -0.23 -3.27 0.04 0.00 -1.50 0.00 0.00 33.47 28.51 1xwe s TRP 1626CO 0.30 -0.65 -0.01 0.42 -4.62 0.00 0.00 176.95 172.40 1xwe s ILE 1627N 1.58 0.71 -0.13 5.86 1.01 -1.25 -2.19 121.20 126.79 1xwe s ILE 1627Ca 0.53 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 1xwe s ILE 1627Cb -0.23 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.27 1xwe s ILE 1627CO 0.24 0.04 -0.05 -0.70 0.00 0.00 0.00 174.94 174.47 1xwe s GLU 1628N 1.80 1.33 0.22 2.79 2.56 -0.83 -3.15 118.70 123.43 1xwe s GLU 1628Ca 0.01 -0.29 -0.32 0.00 0.00 0.00 0.00 54.97 54.38 1xwe s GLU 1628Cb -0.15 -1.65 -0.13 0.00 2.00 0.00 0.00 34.13 34.20 1xwe s GLU 1628CO -0.07 -0.34 1.55 0.98 -0.56 0.00 0.00 175.26 176.82 1xwe n TYR 1629N 4.96 2.43 -3.39 5.30 9.36 -1.26 -0.63 117.16 133.92 1xwe n TYR 1629Ca -0.11 0.29 -0.44 0.00 3.32 0.00 0.00 57.90 60.95 1xwe n TYR 1629Cb 0.49 -2.55 -0.07 0.00 -0.63 0.00 0.00 39.34 36.58 1xwe n TYR 1629CO 0.00 0.00 0.00 -0.46 0.22 0.00 0.00 176.86 176.62 1xwe s TRP 1630N 0.45 3.25 -0.67 2.98 -0.11 -0.87 -4.85 118.94 119.12 1xwe s TRP 1630Ca 0.72 -1.03 -0.30 0.00 1.22 0.00 0.00 56.10 56.71 1xwe s TRP 1630Cb -0.61 -3.27 -0.14 0.00 -1.50 0.00 0.00 33.47 27.95 1xwe s TRP 1630CO 0.43 -0.84 2.48 -2.30 -4.62 0.00 0.00 176.95 172.10 1xwe n PRO 1631N 5.19 0.59 0.14 5.86 -0.02 -1.26 -4.60 135.00 140.90 1xwe n PRO 1631Ca -0.13 0.05 0.02 0.00 -2.02 0.00 0.00 63.50 61.43 1xwe n PRO 1631Cb 0.43 -2.39 0.10 0.00 -0.02 0.00 0.00 33.50 31.61 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 14.74 0.00 -5.86 -0.52 2.43 -1.95 -3.44 114.38 119.79 1xwe h ARG 1632Ca -0.16 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.43 1xwe h ARG 1632Cb 1.30 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.78 1xwe h ARG 1632CO 1.22 0.54 -0.10 -0.51 -1.51 0.00 0.00 179.97 179.61 1xwe s ASP 1633N -6.49 6.78 0.00 -3.80 1.11 -1.26 -4.91 116.67 108.10 1xwe s ASP 1633Ca 0.02 0.93 0.00 0.00 0.18 0.00 0.00 52.55 53.68 1xwe s ASP 1633Cb 0.09 -2.31 0.00 0.00 1.07 0.00 0.00 42.92 41.77 1xwe s ASP 1633CO 0.74 0.05 0.00 0.35 1.18 0.00 0.00 175.17 177.49 1xwe n THR 1634N 3.28 0.00 0.05 -1.27 -2.24 -1.26 -4.75 114.28 108.10 1xwe n THR 1634Ca -0.07 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.79 1xwe n THR 1634Cb 0.52 0.13 0.27 0.00 -2.10 0.00 0.00 70.33 69.14 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 -0.56 0.98 0.29 4.28 -2.24 -1.26 -4.38 114.28 111.40 1xwe n THR 1635Ca 0.00 -0.83 -0.17 0.00 -2.27 0.00 0.00 64.05 60.79 1xwe n THR 1635Cb 0.01 0.28 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 1xwe n THR 1635CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n SER 1637N -5.43 -1.29 0.00 0.00 3.41 -1.26 -5.02 113.62 104.03 1xwe n SER 1637Ca -0.12 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1xwe n SER 1637Cb 0.32 1.36 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 1xwe n SER 1637CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xwe n SER 1638N -3.18 0.00 -4.55 4.04 3.41 -1.26 -5.08 113.62 106.99 1xwe n SER 1638Ca 0.00 -0.64 -0.34 0.00 -0.26 0.00 0.00 58.87 57.63 1xwe n SER 1638Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 9.04 0.00 0.01 0.00 6.02 -1.26 -4.54 117.38 126.65 1xwe n GLN 1640Ca 0.28 -0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 57.16 1xwe n GLN 1640Cb 0.50 -0.46 0.02 0.00 1.02 0.00 0.00 30.24 31.32 1xwe n GLN 1640CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xwe h ALA 1641N 0.00 0.58 -0.21 -1.58 0.00 -2.00 -2.63 119.26 113.42 1xwe h ALA 1641Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 1xwe h ALA 1641Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xwe h ALA 1641CO 0.00 0.71 -0.52 0.35 0.00 0.00 0.00 179.25 179.79 1xwe h PHE 1642N 0.42 0.75 -0.48 0.00 3.57 -1.96 -2.74 116.94 116.50 1xwe h PHE 1642Ca -0.01 -0.26 -0.08 0.00 3.53 0.00 0.00 57.97 61.15 1xwe h PHE 1642Cb 1.22 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 1xwe h PHE 1642CO 0.05 1.00 -0.02 -0.07 -2.23 0.00 0.00 178.31 177.05 1xwe h LEU 1643N 0.47 0.85 -0.91 0.59 -0.00 -1.88 -2.77 115.31 111.66 1xwe h LEU 1643Ca 0.02 -0.32 -0.04 0.00 -0.00 0.00 0.00 57.88 57.54 1xwe h LEU 1643Cb 1.07 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.47 1xwe h LEU 1643CO 0.10 0.96 0.28 0.00 -0.00 0.00 0.00 178.44 179.78 1xwe h ALA 1644N 0.92 1.13 -0.01 1.53 0.00 -1.44 -2.05 119.26 119.34 1xwe h ALA 1644Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1xwe h ALA 1644Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xwe h ALA 1644CO 0.03 0.62 -0.15 -0.97 0.00 0.00 0.00 179.25 178.78 1xwe h ASN 1645N 1.04 0.02 0.54 0.00 -1.24 -1.32 -1.64 115.58 112.99 1xwe h ASN 1645Ca 0.24 -0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.14 1xwe h ASN 1645Cb 0.21 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 1xwe h ASN 1645CO -0.02 0.17 -0.51 -0.07 -1.29 0.00 0.00 177.43 175.71 1xwe h LEU 1646N 0.02 0.00 -1.53 0.34 3.38 -1.09 -2.85 115.31 113.59 1xwe h LEU 1646Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1xwe h LEU 1646Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1xwe h LEU 1646CO 0.02 0.51 0.00 0.44 0.09 0.00 0.00 178.44 179.50 1xwe h ASP 1647N 0.00 0.27 0.24 -0.43 3.32 -1.09 -1.56 116.42 117.17 1xwe h ASP 1647Ca -0.01 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 1xwe h ASP 1647Cb 0.92 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 1xwe h ASP 1647CO 0.07 0.33 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.22 1xwe h GLU 1648N 0.30 0.17 -0.04 3.56 5.08 -1.51 -2.80 114.58 119.35 1xwe h GLU 1648Ca 0.07 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1xwe h GLU 1648Cb 0.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1xwe h GLU 1648CO 0.00 0.52 -0.77 0.35 -1.00 0.00 0.00 179.01 178.11 1xwe h PHE 1649N 0.15 0.40 -0.39 4.33 3.57 -1.35 -2.10 116.94 121.56 1xwe h PHE 1649Ca 0.02 -0.19 0.01 0.00 3.53 0.00 0.00 57.97 61.34 1xwe h PHE 1649Cb 0.71 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 1xwe h PHE 1649CO 0.01 0.95 0.26 0.00 -2.23 0.00 0.00 178.31 177.30 1xwe h ALA 1650N 0.99 1.77 -0.02 2.41 0.00 -1.14 -1.22 119.26 122.05 1xwe h ALA 1650Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xwe h ALA 1650Cb 1.35 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xwe h ALA 1650CO 0.12 0.20 -0.46 -1.91 0.00 0.00 0.00 179.25 177.20 1xwe n GLU 1651N -4.48 1.23 0.02 0.00 2.13 -1.19 -3.21 120.64 115.13 1xwe n GLU 1651Ca 0.03 -1.01 0.11 0.00 0.66 0.00 0.00 57.16 56.95 1xwe n GLU 1651Cb 0.09 -1.48 -0.01 0.00 0.27 0.00 0.00 31.44 30.31 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 -0.00 0.62 -0.03 4.31 2.03 -0.59 -3.19 116.55 119.70 1xwe n ASP 1652Ca 0.09 -0.34 -0.00 0.00 0.52 0.00 0.00 54.79 55.06 1xwe n ASP 1652Cb 0.47 0.92 -0.07 0.00 -0.72 0.00 0.00 41.12 41.72 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 -1.88 0.34 -0.09 5.18 0.13 -0.57 -3.58 119.36 118.89 1xwe n ILE 1653Ca 0.02 -0.30 -0.19 0.00 -1.10 0.00 0.00 62.75 61.18 1xwe n ILE 1653Cb 0.42 -0.31 -0.12 0.00 -0.84 0.00 0.00 39.64 38.79 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 0.00 -0.02 9.51 3.04 -1.73 -2.80 116.94 124.93 1xwe h PHE 1654Ca -0.13 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.78 1xwe h PHE 1654Cb 1.06 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.57 1xwe h PHE 1654CO 0.00 1.28 -0.14 1.25 -2.02 0.00 0.00 178.31 178.69 1xwe h LEU 1655N -1.00 0.16 0.00 0.59 6.46 -1.79 -3.39 115.31 116.34 1xwe h LEU 1655Ca -0.21 -0.68 0.00 0.00 -0.12 0.00 0.00 57.88 56.88 1xwe h LEU 1655Cb 1.17 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.06 1xwe h LEU 1655CO -0.13 0.81 0.00 0.59 -0.62 0.00 0.00 178.44 179.10 1xwe n ASN 1656N -4.62 0.00 -2.35 1.25 5.03 -1.25 -5.06 115.26 108.26 1xwe n ASN 1656Ca -0.09 0.47 -0.02 0.00 0.87 0.00 0.00 54.58 55.82 1xwe n ASN 1656Cb 0.41 -0.43 0.00 0.00 -1.02 0.00 0.00 39.78 38.74 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 1.82 -2.98 0.00 7.41 0.00 -1.06 -5.00 105.19 105.39 1xwe n GLY 1657Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.49 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32