#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwe n SER 1509N 0.00 -0.28 -4.25 1.61 3.41 -1.26 -5.14 113.62 107.71 1xwe n SER 1509Ca 0.00 0.11 -0.16 0.00 -0.26 0.00 0.00 58.87 58.56 1xwe n SER 1509Cb 0.00 0.43 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 1xwe n SER 1509CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1xwe s HIS 1510N -2.00 1.33 0.00 7.33 3.76 -1.26 -5.09 115.29 119.36 1xwe s HIS 1510Ca 0.00 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.26 1xwe s HIS 1510Cb 0.00 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 33.01 1xwe s HIS 1510CO 0.00 0.12 0.00 -1.33 -0.85 0.00 0.00 174.74 172.68 1xwe n MET 1511N 0.17 0.00 -4.21 1.40 2.00 -1.26 -4.88 117.12 110.34 1xwe n MET 1511Ca -0.13 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.39 1xwe n MET 1511Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.69 1xwe n MET 1511CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xwe s ALA 1512N -1.89 1.35 -0.15 3.04 0.00 -1.26 -5.05 121.76 117.81 1xwe s ALA 1512Ca 0.00 -1.13 0.19 0.00 0.00 0.00 0.00 51.96 51.02 1xwe s ALA 1512Cb 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 23.12 22.89 1xwe s ALA 1512CO 0.00 0.16 0.80 -0.40 0.00 0.00 0.00 175.76 176.32 1xwe n ASP 1513N 0.98 0.72 0.00 0.00 5.75 -1.26 -2.65 116.55 120.09 1xwe n ASP 1513Ca -0.19 0.31 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1xwe n ASP 1513Cb 0.55 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 1xwe n ASP 1513CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xwe s GLY 1515N -1.91 -0.95 0.25 0.00 0.00 -1.09 -3.08 107.32 100.55 1xwe s GLY 1515Ca 0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 42.88 1xwe s GLY 1515CO 0.00 4.19 0.91 0.61 0.00 0.00 0.00 173.10 178.81 1xwe n GLN 1516N 8.21 0.98 -4.87 2.90 -0.00 -1.23 -4.16 117.38 119.22 1xwe n GLN 1516Ca 0.42 0.34 -0.26 0.00 -0.00 0.00 0.00 57.00 57.50 1xwe n GLN 1516Cb 0.47 -1.64 -0.15 0.00 -0.00 0.00 0.00 30.24 28.92 1xwe n GLN 1516CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1xwe s MET 1517N -1.26 1.56 0.80 2.61 -1.94 -1.26 -4.01 119.30 115.79 1xwe s MET 1517Ca 0.62 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 53.68 1xwe s MET 1517Cb -0.78 -1.57 0.09 0.00 2.01 0.00 0.00 34.83 34.58 1xwe s MET 1517CO 0.58 0.42 1.14 -0.65 -0.01 0.00 0.00 175.02 176.50 1xwe s GLN 1518N -0.74 1.86 1.24 2.03 -1.52 -1.19 -5.06 119.66 116.28 1xwe s GLN 1518Ca 0.08 -0.10 -0.19 0.00 -1.95 0.00 0.00 55.36 53.20 1xwe s GLN 1518Cb -0.08 -2.01 0.30 0.00 -0.22 0.00 0.00 33.01 30.99 1xwe s GLN 1518CO 0.00 -1.59 1.04 -1.21 -0.25 0.00 0.00 175.29 173.29 1xwe s GLU 1519N -5.51 -1.51 0.00 2.91 0.41 -1.26 -4.56 118.70 109.19 1xwe s GLU 1519Ca 0.63 0.17 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 1xwe s GLU 1519Cb -0.10 -1.54 0.00 0.00 -1.78 0.00 0.00 34.13 30.71 1xwe s GLU 1519CO 0.48 -3.95 0.00 0.39 -0.49 0.00 0.00 175.26 171.69 1xwe n GLU 1520N -4.97 0.00 -3.52 1.61 1.02 -1.26 -4.38 120.64 109.14 1xwe n GLU 1520Ca 0.11 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.83 1xwe n GLU 1520Cb 0.59 -0.23 -0.08 0.00 -0.02 0.00 0.00 31.44 31.70 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 -0.45 5.77 -0.32 -4.62 1.43 -1.26 -4.84 118.68 114.39 1xwe s LEU 1521Ca 0.00 -1.92 0.01 0.00 -1.03 0.00 0.00 54.13 51.19 1xwe s LEU 1521Cb 0.00 -2.04 0.15 0.00 0.03 0.00 0.00 46.19 44.33 1xwe s LEU 1521CO 0.00 -0.71 0.33 -1.81 0.23 0.00 0.00 176.35 174.39 1xwe s ASP 1522N 2.76 1.38 -0.61 2.29 1.11 -1.26 -5.10 116.67 117.24 1xwe s ASP 1522Ca 0.06 -1.01 -0.27 0.00 0.18 0.00 0.00 52.55 51.51 1xwe s ASP 1522Cb -0.26 0.58 -0.02 0.00 1.07 0.00 0.00 42.92 44.29 1xwe s ASP 1522CO -0.00 -0.34 1.80 -0.76 1.18 0.00 0.00 175.17 177.05 1xwe s LEU 1523N 2.06 3.29 0.00 1.23 1.43 -1.26 -4.10 118.68 121.33 1xwe s LEU 1523Ca 0.12 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1xwe s LEU 1523Cb -0.14 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1xwe s LEU 1523CO -0.23 -2.29 0.00 1.07 0.23 0.00 0.00 176.35 175.13 1xwe n THR 1524N 7.15 0.00 -3.24 5.49 5.66 -1.26 -5.12 114.28 122.95 1xwe n THR 1524Ca 0.19 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.80 1xwe n THR 1524Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1xwe n THR 1524CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1xwe s ILE 1525N -0.10 5.01 0.62 1.09 1.01 -1.26 -5.07 121.20 122.51 1xwe s ILE 1525Ca 0.00 1.15 -0.13 0.00 0.00 0.00 0.00 60.65 61.67 1xwe s ILE 1525Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1xwe s ILE 1525CO 0.00 0.39 1.04 -0.55 0.00 0.00 0.00 174.94 175.81 1xwe s SER 1526N 0.07 5.92 0.21 3.58 0.15 -1.26 -4.96 113.70 117.41 1xwe s SER 1526Ca 0.30 1.60 0.26 0.00 0.70 0.00 0.00 55.95 58.81 1xwe s SER 1526Cb -0.17 -2.50 0.78 0.00 -1.71 0.00 0.00 66.02 62.42 1xwe s SER 1526CO 0.15 -1.07 1.75 0.00 1.20 0.00 0.00 173.24 175.27 1xwe n ALA 1527N -2.48 2.31 0.02 5.45 0.00 -1.26 -3.47 120.51 121.08 1xwe n ALA 1527Ca 0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 1xwe n ALA 1527Cb 0.54 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 1xwe n ALA 1527CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1xwe h GLU 1528N 0.00 0.13 -0.04 0.00 5.08 -1.93 -3.13 114.58 114.69 1xwe h GLU 1528Ca 0.00 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1xwe h GLU 1528Cb 0.74 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1xwe h GLU 1528CO 0.00 0.88 0.05 1.15 -1.00 0.00 0.00 179.01 180.09 1xwe h THR 1529N 0.04 0.50 0.10 1.13 2.02 -1.96 -0.87 112.91 113.87 1xwe h THR 1529Ca -0.28 0.00 -0.36 0.00 0.77 0.00 0.00 66.41 66.55 1xwe h THR 1529Cb 2.00 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1xwe h THR 1529CO 0.11 0.00 -1.97 0.54 0.37 0.00 0.00 175.52 174.57 1xwe n ARG 1530N -3.82 0.73 -0.21 6.66 1.74 -1.25 -4.24 116.66 116.28 1xwe n ARG 1530Ca -0.02 0.28 -0.02 0.00 -0.77 0.00 0.00 57.85 57.33 1xwe n ARG 1530Cb 0.14 -1.70 0.19 0.00 -1.02 0.00 0.00 32.46 30.07 1xwe n ARG 1530CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1xwe h LYS 1531N -0.05 0.99 0.00 5.56 3.11 -1.38 -1.15 116.57 123.65 1xwe h LYS 1531Ca -0.43 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.28 1xwe h LYS 1531Cb 1.95 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.99 1xwe h LYS 1531CO 0.04 0.75 0.05 1.96 -2.81 0.00 0.00 179.45 179.44 1xwe h GLN 1532N 0.98 0.00 0.00 1.90 1.08 -1.35 0.12 115.11 117.84 1xwe h GLN 1532Ca 0.24 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.27 1xwe h GLN 1532Cb 0.08 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1xwe h GLN 1532CO -0.03 0.00 -1.16 1.15 -0.95 0.00 0.00 178.83 177.84 1xwe h THR 1533N 0.00 0.83 0.00 -0.54 2.02 -1.39 -3.27 112.91 110.55 1xwe h THR 1533Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1xwe h THR 1533Cb 0.09 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1xwe h THR 1533CO 0.00 0.47 0.00 0.00 0.37 0.00 0.00 175.52 176.36 1xwe n ALA 1534N -2.37 2.12 -0.22 6.16 0.00 0.40 -2.09 120.51 124.52 1xwe n ALA 1534Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xwe n ALA 1534Cb 0.86 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.24 2.73 0.44 0.00 1.02 -0.89 -4.92 119.74 117.88 1xwe s LYS 1536Ca 0.00 1.82 0.19 0.00 0.02 0.00 0.00 55.97 58.00 1xwe s LYS 1536Cb 0.00 -1.90 1.03 0.00 -0.52 0.00 0.00 37.83 36.44 1xwe s LYS 1536CO 0.00 -1.39 1.93 -1.00 -0.92 0.00 0.00 175.35 173.97 1xwe h PRO 1537N 0.54 0.00 -0.20 -1.68 0.13 -1.95 -1.94 132.00 126.90 1xwe h PRO 1537Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xwe h PRO 1537Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1xwe h PRO 1537CO 0.54 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.70 1xwe n GLU 1538N -3.91 1.47 -4.05 0.86 0.28 -1.26 -4.73 120.64 109.31 1xwe n GLU 1538Ca -0.02 -0.74 -0.30 0.00 -0.16 0.00 0.00 57.16 55.95 1xwe n GLU 1538Cb 0.33 -1.18 -0.16 0.00 1.43 0.00 0.00 31.44 31.86 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 -1.74 1.53 -0.12 3.84 -1.09 -0.73 -3.04 121.20 119.86 1xwe s ILE 1539Ca 0.15 -0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 57.88 1xwe s ILE 1539Cb 0.08 -1.44 -0.03 0.00 -1.58 0.00 0.00 42.46 39.49 1xwe s ILE 1539CO 0.11 0.45 -0.15 0.00 -1.23 0.00 0.00 174.94 174.12 1xwe n ALA 1540N 4.74 0.38 -2.76 9.38 0.00 0.41 -4.66 120.51 128.00 1xwe n ALA 1540Ca -0.17 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.67 1xwe n ALA 1540Cb 0.50 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.05 2.97 -0.36 0.00 -0.85 -0.46 -4.67 117.35 111.94 1xwe s TYR 1541Ca -0.13 -0.14 0.02 0.00 -0.52 0.00 0.00 57.07 56.30 1xwe s TYR 1541Cb 0.02 -1.34 0.15 0.00 0.38 0.00 0.00 41.96 41.17 1xwe s TYR 1541CO 0.19 0.55 0.31 0.00 -1.52 0.00 0.00 175.55 175.08 1xwe s ALA 1542N -2.17 0.08 0.07 9.51 0.00 -0.96 -1.84 121.76 126.44 1xwe s ALA 1542Ca 0.32 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1xwe s ALA 1542Cb -0.07 -1.87 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 1xwe s ALA 1542CO 0.23 -2.11 0.07 2.48 0.00 0.00 0.00 175.76 176.43 1xwe n TYR 1543N 4.21 -0.39 -4.31 0.00 0.18 -0.75 -1.69 117.16 114.41 1xwe n TYR 1543Ca 0.11 -0.49 -0.21 0.00 1.88 0.00 0.00 57.90 59.19 1xwe n TYR 1543Cb 0.42 0.08 -0.16 0.00 -0.38 0.00 0.00 39.34 39.30 1xwe n TYR 1543CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1xwe s LYS 1544N -2.21 1.00 0.33 -3.48 2.36 -0.79 -1.54 119.74 115.42 1xwe s LYS 1544Ca 0.07 -0.23 0.02 0.00 -2.55 0.00 0.00 55.97 53.28 1xwe s LYS 1544Cb 0.00 -0.93 -0.01 0.00 -1.05 0.00 0.00 37.83 35.85 1xwe s LYS 1544CO 0.05 0.02 0.08 1.33 1.55 0.00 0.00 175.35 178.38 1xwe n VAL 1545N 3.68 0.00 -3.70 4.02 0.24 -0.92 -0.86 118.33 120.79 1xwe n VAL 1545Ca -0.22 -1.84 -0.17 0.00 -2.04 0.00 0.00 64.34 60.07 1xwe n VAL 1545Cb 0.52 0.58 -0.16 0.00 -1.47 0.00 0.00 33.84 33.32 1xwe n VAL 1545CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xwe s SER 1546N -2.99 0.59 0.30 -1.34 0.15 -0.70 -1.84 113.70 107.86 1xwe s SER 1546Ca 0.12 0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.67 1xwe s SER 1546Cb 0.01 0.07 -0.11 0.00 -1.71 0.00 0.00 66.02 64.28 1xwe s SER 1546CO 0.08 -0.21 1.55 -0.63 1.20 0.00 0.00 173.24 175.24 1xwe s ILE 1547N 1.83 2.16 0.00 6.45 -1.09 -0.48 -2.23 121.20 127.85 1xwe s ILE 1547Ca -0.01 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 1xwe s ILE 1547Cb -0.12 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 1xwe s ILE 1547CO -0.04 0.02 0.00 0.35 -1.23 0.00 0.00 174.94 174.04 1xwe n THR 1548N 1.95 0.00 -3.87 2.92 -2.24 -1.15 -1.01 114.28 110.87 1xwe n THR 1548Ca 0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1xwe n THR 1548Cb 0.38 -0.35 -0.13 0.00 -2.10 0.00 0.00 70.33 68.13 1xwe n THR 1548CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xwe s SER 1549N -2.00 0.00 -0.07 3.42 0.01 -0.36 -4.81 113.70 109.89 1xwe s SER 1549Ca 0.00 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.25 1xwe s SER 1549Cb 0.00 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.31 1xwe s SER 1549CO 0.00 -0.05 -0.07 -0.63 0.41 0.00 0.00 173.24 172.90 1xwe s ILE 1550N -0.18 0.83 -0.03 1.44 1.01 -1.26 -0.93 121.20 122.07 1xwe s ILE 1550Ca -0.02 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1xwe s ILE 1550Cb -0.01 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 1xwe s ILE 1550CO -0.00 0.31 -0.14 -0.89 0.00 0.00 0.00 174.94 174.22 1xwe s THR 1551N 1.23 1.15 -0.12 2.92 2.01 -0.99 -5.01 115.64 116.84 1xwe s THR 1551Ca -0.05 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1xwe s THR 1551Cb -0.14 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.38 1xwe s THR 1551CO -0.02 0.34 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.36 1xwe s VAL 1552N -0.02 2.37 -0.02 3.82 1.01 -1.26 -1.56 120.40 124.74 1xwe s VAL 1552Ca -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1xwe s VAL 1552Cb -0.09 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1xwe s VAL 1552CO 0.01 0.54 -0.03 -0.62 0.00 0.00 0.00 175.10 175.01 1xwe n GLU 1553N 3.66 0.06 0.00 2.72 1.02 -1.26 -5.02 120.64 121.83 1xwe n GLU 1553Ca -0.19 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1xwe n GLU 1553Cb 0.53 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 1xwe n GLU 1553CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1xwe n ASN 1554N -2.60 0.00 -0.13 1.62 5.15 -1.26 -5.01 115.26 113.03 1xwe n ASN 1554Ca -0.01 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.75 1xwe n ASN 1554Cb 0.04 0.36 -0.11 0.00 -0.53 0.00 0.00 39.78 39.53 1xwe n ASN 1554CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1xwe n VAL 1555N -2.13 1.50 -3.54 3.44 0.31 -1.26 -4.88 118.33 111.78 1xwe n VAL 1555Ca 0.00 -0.52 -0.41 0.00 -0.01 0.00 0.00 64.34 63.40 1xwe n VAL 1555Cb 0.00 -1.56 -0.11 0.00 -0.91 0.00 0.00 33.84 31.26 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 -2.52 3.23 0.36 3.52 0.08 -1.26 -3.44 117.98 117.96 1xwe s PHE 1556Ca -0.36 -0.58 -0.15 0.00 0.12 0.00 0.00 56.93 55.96 1xwe s PHE 1556Cb 0.11 -2.49 -0.09 0.00 -0.57 0.00 0.00 43.02 39.98 1xwe s PHE 1556CO 0.57 -0.53 0.78 0.54 -0.10 0.00 0.00 175.22 176.48 1xwe s VAL 1557N 1.65 4.67 0.10 -0.44 0.11 -0.41 -4.03 120.40 122.05 1xwe s VAL 1557Ca 0.04 0.94 0.08 0.00 -2.93 0.00 0.00 61.98 60.12 1xwe s VAL 1557Cb -0.18 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 30.99 1xwe s VAL 1557CO 0.09 -0.31 -0.21 -0.54 -3.33 0.00 0.00 175.10 170.80 1xwe s LYS 1558N -3.27 1.15 -0.23 1.54 1.02 -0.60 0.25 119.74 119.60 1xwe s LYS 1558Ca 0.55 -1.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.36 1xwe s LYS 1558Cb -0.10 -1.42 0.07 0.00 -0.52 0.00 0.00 37.83 35.86 1xwe s LYS 1558CO 0.21 0.33 0.05 0.71 -0.92 0.00 0.00 175.35 175.73 1xwe s TYR 1559N -1.13 1.30 -0.22 3.18 2.02 -0.82 -2.34 117.35 119.34 1xwe s TYR 1559Ca 0.07 -1.18 -0.22 0.00 -0.37 0.00 0.00 57.07 55.37 1xwe s TYR 1559Cb -0.10 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 1xwe s TYR 1559CO 0.04 -0.71 0.69 0.15 -1.57 0.00 0.00 175.55 174.15 1xwe s LYS 1560N 1.76 4.18 0.20 -0.62 1.02 -0.11 -1.54 119.74 124.63 1xwe s LYS 1560Ca 0.02 0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.71 1xwe s LYS 1560Cb -0.17 -3.61 -0.05 0.00 -0.52 0.00 0.00 37.83 33.48 1xwe s LYS 1560CO -0.14 -0.36 0.07 0.00 -0.92 0.00 0.00 175.35 174.00 1xwe s ALA 1561N 2.31 1.33 -0.07 5.17 0.00 -0.93 -1.22 121.76 128.34 1xwe s ALA 1561Ca 0.30 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.56 1xwe s ALA 1561Cb -0.16 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1xwe s ALA 1561CO 0.09 -0.45 0.06 0.99 0.00 0.00 0.00 175.76 176.45 1xwe s THR 1562N -3.87 4.71 -0.05 0.00 2.01 -0.94 -2.97 115.64 114.53 1xwe s THR 1562Ca 0.31 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 1xwe s THR 1562Cb 0.07 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1xwe s THR 1562CO 0.08 0.55 1.28 -0.76 -0.69 0.00 0.00 174.62 175.08 1xwe s LEU 1563N -1.12 4.28 -0.06 4.42 1.43 -1.01 -1.72 118.68 124.90 1xwe s LEU 1563Ca 0.16 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1xwe s LEU 1563Cb -0.12 -3.56 -0.26 0.00 0.03 0.00 0.00 46.19 42.29 1xwe s LEU 1563CO 0.05 -0.65 0.60 -0.07 0.23 0.00 0.00 176.35 176.52 1xwe h LEU 1564N 8.42 0.28 -7.00 1.79 4.07 -1.32 -3.04 115.31 118.51 1xwe h LEU 1564Ca -0.35 -0.54 0.16 0.00 0.08 0.00 0.00 57.88 57.23 1xwe h LEU 1564Cb 1.16 -0.09 -0.30 0.00 1.08 0.00 0.00 40.66 42.51 1xwe h LEU 1564CO 0.90 1.48 0.58 -0.62 -1.08 0.00 0.00 178.44 179.70 1xwe s ASP 1565N -6.73 -0.27 -0.26 -0.43 -1.08 -0.99 -4.63 116.67 102.28 1xwe s ASP 1565Ca -0.13 0.43 -0.09 0.00 -0.52 0.00 0.00 52.55 52.25 1xwe s ASP 1565Cb 0.07 1.08 -0.04 0.00 -1.46 0.00 0.00 42.92 42.57 1xwe s ASP 1565CO 0.81 -0.07 0.11 -0.63 0.52 0.00 0.00 175.17 175.91 1xwe s ILE 1566N 1.13 4.68 -0.13 4.11 1.01 -1.26 -1.88 121.20 128.86 1xwe s ILE 1566Ca -0.08 -0.05 0.18 0.00 0.00 0.00 0.00 60.65 60.70 1xwe s ILE 1566Cb -0.03 -3.20 -0.17 0.00 0.01 0.00 0.00 42.46 39.07 1xwe s ILE 1566CO -0.12 0.31 0.68 -1.22 0.00 0.00 0.00 174.94 174.59 1xwe n TYR 1567N 4.93 0.73 -3.64 3.97 4.01 -0.68 -4.83 117.16 121.65 1xwe n TYR 1567Ca -0.15 0.24 -0.21 0.00 -0.16 0.00 0.00 57.90 57.62 1xwe n TYR 1567Cb 0.52 -1.01 -0.17 0.00 -0.31 0.00 0.00 39.34 38.37 1xwe n TYR 1567CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1xwe s LYS 1568N -2.94 -0.00 0.52 -0.72 2.20 -0.81 -4.86 119.74 113.13 1xwe s LYS 1568Ca -0.04 0.30 -0.19 0.00 -0.36 0.00 0.00 55.97 55.67 1xwe s LYS 1568Cb 0.09 -0.83 -0.11 0.00 -1.51 0.00 0.00 37.83 35.47 1xwe s LYS 1568CO 0.82 -0.43 0.34 2.41 -0.36 0.00 0.00 175.35 178.14 1xwe n THR 1569N 5.30 1.52 0.64 3.43 -1.04 -1.26 -2.27 114.28 120.60 1xwe n THR 1569Ca -0.05 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.49 1xwe n THR 1569Cb 0.50 -0.45 0.13 0.00 -1.82 0.00 0.00 70.33 68.68 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 1.99 1.40 2.85 3.41 0.00 -1.26 -3.92 105.19 109.66 1xwe n GLY 1570Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1xwe n GLY 1570CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwe n GLU 1571N 0.21 -1.88 0.00 1.61 1.02 -1.26 -4.61 120.64 115.72 1xwe n GLU 1571Ca 0.09 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1xwe n GLU 1571Cb 0.45 -4.46 0.00 0.00 -0.02 0.00 0.00 31.44 27.41 1xwe n GLU 1571CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwe n ALA 1572N 0.81 0.00 0.31 0.62 0.00 -1.26 -4.99 120.51 116.01 1xwe n ALA 1572Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xwe n ALA 1572Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.00 1.29 -2.81 0.00 3.14 -1.26 -4.84 118.33 113.84 1xwe n VAL 1573Ca 0.00 -0.19 -0.42 0.00 -2.96 0.00 0.00 64.34 60.77 1xwe n VAL 1573Cb 0.00 -1.17 -0.03 0.00 -1.06 0.00 0.00 33.84 31.58 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 0.15 3.44 0.14 1.55 0.00 -1.26 -4.90 121.76 120.87 1xwe s ALA 1574Ca 0.00 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.07 1xwe s ALA 1574Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1xwe s ALA 1574CO 0.00 -0.56 0.28 -1.21 0.00 0.00 0.00 175.76 174.27 1xwe s GLU 1575N 1.91 1.07 -0.44 0.00 0.41 -1.26 -4.53 118.70 115.86 1xwe s GLU 1575Ca 0.43 -1.04 -0.32 0.00 -0.41 0.00 0.00 54.97 53.64 1xwe s GLU 1575Cb -0.18 0.39 -0.11 0.00 -1.78 0.00 0.00 34.13 32.45 1xwe s GLU 1575CO 0.16 -0.39 2.31 1.17 -0.49 0.00 0.00 175.26 178.02 1xwe n LYS 1576N -0.18 1.06 -2.49 1.61 4.81 -1.26 -3.06 118.16 118.65 1xwe n LYS 1576Ca -0.11 0.22 -0.04 0.00 -0.87 0.00 0.00 58.31 57.51 1xwe n LYS 1576Cb 0.63 -2.68 0.01 0.00 0.02 0.00 0.00 35.03 33.00 1xwe n LYS 1576CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xwe n ASP 1577N 11.60 -6.55 -2.65 3.14 -0.08 -1.15 -5.04 116.55 115.83 1xwe n ASP 1577Ca 0.42 0.61 -0.12 0.00 -1.51 0.00 0.00 54.79 54.19 1xwe n ASP 1577Cb 0.31 -4.33 -0.03 0.00 2.34 0.00 0.00 41.12 39.40 1xwe n ASP 1577CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1xwe n SER 1578N -0.09 1.28 -4.34 1.67 7.64 -1.17 -4.84 113.62 113.77 1xwe n SER 1578Ca 0.06 -1.99 -0.37 0.00 1.01 0.00 0.00 58.87 57.58 1xwe n SER 1578Cb 0.25 0.43 -0.13 0.00 -1.01 0.00 0.00 64.21 63.75 1xwe n SER 1578CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xwe s GLU 1579N -2.72 3.10 -0.03 1.43 -6.30 -1.26 -2.41 118.70 110.51 1xwe s GLU 1579Ca 0.08 -0.85 0.04 0.00 -2.50 0.00 0.00 54.97 51.75 1xwe s GLU 1579Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 34.13 30.79 1xwe s GLU 1579CO 0.06 -0.43 -0.16 0.96 0.02 0.00 0.00 175.26 175.71 1xwe s ILE 1580N 1.49 1.31 -0.26 -3.70 -4.36 -1.16 -5.06 121.20 109.46 1xwe s ILE 1580Ca 0.03 -0.68 -0.01 0.00 -0.26 0.00 0.00 60.65 59.73 1xwe s ILE 1580Cb -0.17 -1.11 0.03 0.00 1.25 0.00 0.00 42.46 42.46 1xwe s ILE 1580CO 0.02 0.38 -0.05 -0.89 0.24 0.00 0.00 174.94 174.63 1xwe s THR 1581N -0.14 2.85 0.74 8.37 2.01 -1.26 -2.20 115.64 126.01 1xwe s THR 1581Ca 0.01 -1.15 -0.05 0.00 0.31 0.00 0.00 61.69 60.80 1xwe s THR 1581Cb -0.09 -2.51 0.11 0.00 0.01 0.00 0.00 72.50 70.02 1xwe s THR 1581CO 0.01 0.11 1.03 -0.36 -0.69 0.00 0.00 174.62 174.72 1xwe s PHE 1582N 1.29 2.20 -0.27 4.92 0.40 -0.59 -2.02 117.98 123.92 1xwe s PHE 1582Ca -0.02 0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1xwe s PHE 1582Cb -0.18 -3.24 0.16 0.00 0.51 0.00 0.00 43.02 40.27 1xwe s PHE 1582CO -0.04 -1.68 0.45 -1.50 0.70 0.00 0.00 175.22 173.15 1xwe s ILE 1583N -3.27 -0.72 0.11 0.64 2.07 0.12 -1.95 121.20 118.20 1xwe s ILE 1583Ca 0.64 -0.10 -0.05 0.00 -1.41 0.00 0.00 60.65 59.74 1xwe s ILE 1583Cb -0.08 -0.90 -0.05 0.00 0.13 0.00 0.00 42.46 41.56 1xwe s ILE 1583CO 0.45 -0.12 0.35 -0.75 -1.91 0.00 0.00 174.94 172.96 1xwe s LYS 1584N 2.63 3.61 0.87 3.50 2.20 0.14 -1.86 119.74 130.82 1xwe s LYS 1584Ca 0.14 -0.10 -0.15 0.00 -0.36 0.00 0.00 55.97 55.50 1xwe s LYS 1584Cb -0.14 -2.92 0.21 0.00 -1.51 0.00 0.00 37.83 33.47 1xwe s LYS 1584CO -0.21 0.52 0.97 1.63 -0.36 0.00 0.00 175.35 177.90 1xwe n LYS 1585N 0.33 -1.81 -0.07 4.03 4.76 -1.26 -1.29 118.16 122.85 1xwe n LYS 1585Ca -0.04 -1.52 -0.04 0.00 -2.87 0.00 0.00 58.31 53.84 1xwe n LYS 1585Cb 0.52 -1.18 -0.16 0.00 -1.84 0.00 0.00 35.03 32.36 1xwe n LYS 1585CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1xwe n VAL 1586N -3.88 1.02 0.59 -0.18 3.14 -1.22 -4.20 118.33 113.60 1xwe n VAL 1586Ca 0.13 -0.76 0.09 0.00 -2.96 0.00 0.00 64.34 60.84 1xwe n VAL 1586Cb 0.46 -0.37 0.40 0.00 -1.06 0.00 0.00 33.84 33.28 1xwe n VAL 1586CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1xwe n THR 1587N -2.64 0.76 -1.69 1.55 -2.24 -1.26 -4.77 114.28 103.99 1xwe n THR 1587Ca -0.24 0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1xwe n THR 1587Cb 0.99 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1xwe n THR 1587CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe n THR 1589N 5.27 0.67 0.00 0.00 -1.04 -1.09 -4.69 114.28 113.40 1xwe n THR 1589Ca 0.19 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1xwe n THR 1589Cb 0.40 0.68 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 1xwe n THR 1589CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1xwe n ASN 1590N -0.33 2.47 -4.65 8.00 4.05 -1.23 -4.99 115.26 118.58 1xwe n ASN 1590Ca 0.00 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.63 1xwe n ASN 1590Cb 0.19 0.45 -0.06 0.00 1.23 0.00 0.00 39.78 41.60 1xwe n ASN 1590CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xwe s ALA 1591N -1.08 3.56 -0.11 5.20 0.00 -1.24 -4.38 121.76 123.71 1xwe s ALA 1591Ca 0.00 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.52 1xwe s ALA 1591Cb 0.00 -3.00 0.03 0.00 0.00 0.00 0.00 23.12 20.15 1xwe s ALA 1591CO 0.00 -0.64 0.37 -1.83 0.00 0.00 0.00 175.76 173.67 1xwe s GLU 1592N 2.10 0.51 0.19 0.00 -1.05 -1.26 -5.00 118.70 114.19 1xwe s GLU 1592Ca 0.28 0.35 0.03 0.00 -0.15 0.00 0.00 54.97 55.49 1xwe s GLU 1592Cb -0.16 0.24 -0.05 0.00 -0.44 0.00 0.00 34.13 33.73 1xwe s GLU 1592CO 0.10 -0.09 -0.03 -0.51 0.95 0.00 0.00 175.26 175.68 1xwe s LEU 1593N -0.19 2.27 -0.01 1.83 1.43 -1.26 -5.10 118.68 117.65 1xwe s LEU 1593Ca -0.03 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 51.95 1xwe s LEU 1593Cb -0.03 -0.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.96 1xwe s LEU 1593CO 0.02 -0.48 -0.10 -0.69 0.23 0.00 0.00 176.35 175.33 1xwe s VAL 1594N -3.47 0.78 -0.01 -1.59 1.01 -1.26 -5.12 120.40 110.73 1xwe s VAL 1594Ca 0.23 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1xwe s VAL 1594Cb 0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 1xwe s VAL 1594CO 0.05 0.22 1.31 -0.75 0.00 0.00 0.00 175.10 175.92 1xwe s LYS 1595N -0.24 4.32 0.00 2.72 2.20 -1.26 -2.84 119.74 124.65 1xwe s LYS 1595Ca 0.04 1.84 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 1xwe s LYS 1595Cb -0.04 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 1xwe s LYS 1595CO -0.00 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.90 1xwe n GLY 1596N 3.49 0.40 4.00 5.54 0.00 -0.18 -4.97 105.19 113.47 1xwe n GLY 1596Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.83 2.61 -0.04 1.61 0.52 -1.13 -4.89 118.95 116.79 1xwe s ARG 1597Ca 0.00 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 53.85 1xwe s ARG 1597Cb 0.00 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 1xwe s ARG 1597CO 0.00 -0.47 -0.24 -0.65 0.02 0.00 0.00 175.30 173.96 1xwe s GLN 1598N -4.43 2.26 0.01 3.54 -0.21 -1.26 -1.38 119.66 118.19 1xwe s GLN 1598Ca 0.56 -0.87 0.00 0.00 0.02 0.00 0.00 55.36 55.07 1xwe s GLN 1598Cb -0.08 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.91 1xwe s GLN 1598CO 0.34 0.43 -0.02 0.71 -2.12 0.00 0.00 175.29 174.62 1xwe s TYR 1599N -0.31 0.22 -0.26 0.91 2.02 -0.77 -2.07 117.35 117.09 1xwe s TYR 1599Ca 0.02 -0.31 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 1xwe s TYR 1599Cb -0.12 -0.15 -0.02 0.00 -0.40 0.00 0.00 41.96 41.27 1xwe s TYR 1599CO 0.02 -0.10 0.59 -1.17 -1.57 0.00 0.00 175.55 173.31 1xwe s LEU 1600N -0.87 4.06 -0.09 -1.29 2.96 -0.05 -2.17 118.68 121.23 1xwe s LEU 1600Ca -0.09 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 54.49 1xwe s LEU 1600Cb -0.06 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 1xwe s LEU 1600CO -0.00 -0.34 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.91 1xwe s ILE 1601N 2.43 2.93 -0.22 6.68 1.01 -0.59 -2.13 121.20 131.32 1xwe s ILE 1601Ca 0.24 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 1xwe s ILE 1601Cb -0.16 -2.18 0.11 0.00 0.01 0.00 0.00 42.46 40.25 1xwe s ILE 1601CO 0.09 0.56 0.32 -0.04 0.00 0.00 0.00 174.94 175.86 1xwe s MET 1602N -0.14 0.28 0.00 2.79 -1.94 -0.66 -1.80 119.30 117.82 1xwe s MET 1602Ca -0.01 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.44 1xwe s MET 1602Cb -0.14 -0.64 0.00 0.00 2.01 0.00 0.00 34.83 36.06 1xwe s MET 1602CO 0.03 -0.59 0.00 0.41 -0.01 0.00 0.00 175.02 174.86 1xwe n GLY 1603N 5.35 -1.22 3.43 -0.03 0.00 -0.77 -1.92 105.19 110.03 1xwe n GLY 1603Ca -0.05 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 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 0.17 0.00 1.61 4.76 -1.17 -0.45 118.16 123.09 1xwe n LYS 1604Ca 0.00 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1xwe n LYS 1604Cb 0.00 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 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 -0.70 -0.08 -2.63 1.97 0.28 -1.26 -4.62 120.64 113.59 1xwe n GLU 1605Ca 0.09 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.79 1xwe n GLU 1605Cb 0.51 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.36 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 -3.83 3.30 -0.08 -1.84 0.00 -1.26 -4.72 121.76 113.33 1xwe s ALA 1606Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 1xwe s ALA 1606Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 1xwe s ALA 1606CO 0.00 -0.21 0.62 -0.51 0.00 0.00 0.00 175.76 175.66 1xwe s LEU 1607N -4.27 4.30 0.00 0.00 2.01 -0.73 -4.87 118.68 115.12 1xwe s LEU 1607Ca 0.51 1.05 0.10 0.00 0.01 0.00 0.00 54.13 55.81 1xwe s LEU 1607Cb -0.10 -2.94 0.44 0.00 0.01 0.00 0.00 46.19 43.59 1xwe s LEU 1607CO 0.38 -0.07 1.32 1.67 1.01 0.00 0.00 176.35 180.65 1xwe n GLN 1608N 3.72 0.01 -3.12 1.70 7.27 -1.26 -3.44 117.38 122.26 1xwe n GLN 1608Ca -0.03 0.32 -0.16 0.00 0.07 0.00 0.00 57.00 57.19 1xwe n GLN 1608Cb 0.51 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.61 1xwe n GLN 1608CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1xwe s ILE 1609N -2.97 -0.31 -0.96 1.69 -4.36 -1.26 -4.15 121.20 108.88 1xwe s ILE 1609Ca 0.05 -1.75 0.13 0.00 -0.26 0.00 0.00 60.65 58.83 1xwe s ILE 1609Cb 0.07 -0.65 -0.06 0.00 1.25 0.00 0.00 42.46 43.06 1xwe s ILE 1609CO 0.18 -0.64 0.67 1.17 0.24 0.00 0.00 174.94 176.56 1xwe n LYS 1610N 3.06 2.26 -2.43 0.37 3.00 -1.03 -4.93 118.16 118.46 1xwe n LYS 1610Ca 0.23 -0.41 -0.24 0.00 -0.00 0.00 0.00 58.31 57.88 1xwe n LYS 1610Cb 0.51 -1.15 0.08 0.00 0.00 0.00 0.00 35.03 34.47 1xwe n LYS 1610CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1xwe s TYR 1611N -1.89 2.36 0.11 5.64 5.04 -1.26 -4.94 117.35 122.41 1xwe s TYR 1611Ca 0.08 0.07 -0.15 0.00 -2.44 0.00 0.00 57.07 54.63 1xwe s TYR 1611Cb 0.10 -3.08 -0.05 0.00 0.35 0.00 0.00 41.96 39.28 1xwe s TYR 1611CO 0.42 -1.46 1.50 -2.95 -1.34 0.00 0.00 175.55 171.72 1xwe h ASN 1612N -0.47 0.66 0.00 4.32 -1.07 -1.96 -3.43 115.58 113.63 1xwe h ASN 1612Ca -0.41 -0.37 0.00 0.00 0.07 0.00 0.00 56.30 55.59 1xwe h ASN 1612Cb 1.29 -0.18 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 1xwe h ASN 1612CO 0.50 0.88 0.00 0.00 0.07 0.00 0.00 177.43 178.88 1xwe n ALA 1613N -2.43 0.00 1.01 4.14 0.00 -1.26 -4.92 120.51 117.06 1xwe n ALA 1613Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1xwe n ALA 1613Cb 0.34 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.31 1xwe n ALA 1613CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwe n SER 1614N 0.00 0.16 -1.37 0.00 2.88 -1.26 -5.03 113.62 108.99 1xwe n SER 1614Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1xwe n SER 1614Cb 0.02 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1xwe n SER 1614CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1xwe n PHE 1615N -1.49 -3.69 -3.64 0.66 3.72 -1.26 -5.03 117.46 106.74 1xwe n PHE 1615Ca 0.07 1.95 -0.06 0.00 -0.05 0.00 0.00 57.45 59.35 1xwe n PHE 1615Cb 0.34 -3.13 -0.07 0.00 -0.94 0.00 0.00 39.48 35.67 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 -3.61 0.42 -0.81 -1.08 3.52 -1.26 -4.81 118.95 111.32 1xwe s ARG 1616Ca 0.00 0.58 -0.21 0.00 -0.13 0.00 0.00 55.73 55.97 1xwe s ARG 1616Cb 0.00 0.16 0.09 0.00 -1.56 0.00 0.00 34.95 33.65 1xwe s ARG 1616CO 0.00 -0.06 1.08 0.71 -0.81 0.00 0.00 175.30 176.22 1xwe s TYR 1617N 0.63 2.85 0.08 5.12 1.51 -1.25 -2.46 117.35 123.84 1xwe s TYR 1617Ca -0.01 -0.93 0.06 0.00 -1.01 0.00 0.00 57.07 55.18 1xwe s TYR 1617Cb -0.04 -4.33 -0.04 0.00 -0.11 0.00 0.00 41.96 37.44 1xwe s TYR 1617CO -0.10 -1.61 -0.09 0.42 -1.11 0.00 0.00 175.55 173.06 1xwe s ILE 1618N 3.56 3.43 -0.46 2.71 1.01 -1.22 -4.75 121.20 125.48 1xwe s ILE 1618Ca 0.29 -1.16 -0.14 0.00 0.00 0.00 0.00 60.65 59.64 1xwe s ILE 1618Cb -0.10 -2.58 0.08 0.00 0.01 0.00 0.00 42.46 39.87 1xwe s ILE 1618CO -0.00 0.17 0.36 -0.31 0.00 0.00 0.00 174.94 175.16 1xwe s TYR 1619N -1.17 3.28 1.09 3.97 1.51 -0.86 -1.77 117.35 123.39 1xwe s TYR 1619Ca 0.21 -1.15 -0.14 0.00 -1.01 0.00 0.00 57.07 54.97 1xwe s TYR 1619Cb -0.11 -3.17 0.23 0.00 -0.11 0.00 0.00 41.96 38.80 1xwe s TYR 1619CO 0.13 -0.83 1.08 -1.25 -1.11 0.00 0.00 175.55 173.56 1xwe s PRO 1620N 1.57 -0.28 -0.32 -1.71 0.04 -1.26 0.11 135.00 133.14 1xwe s PRO 1620Ca 0.04 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.49 1xwe s PRO 1620Cb -0.24 -1.66 0.11 0.00 0.04 0.00 0.00 34.50 32.75 1xwe s PRO 1620CO 0.05 -3.19 0.15 -0.51 0.04 0.00 0.00 177.00 173.54 1xwe s LEU 1621N -6.74 1.30 0.00 -3.56 1.43 -0.78 -4.67 118.68 105.66 1xwe s LEU 1621Ca 0.67 -1.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1xwe s LEU 1621Cb -0.18 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.48 1xwe s LEU 1621CO 0.59 -0.39 0.04 0.47 0.23 0.00 0.00 176.35 177.29 1xwe n ASP 1622N 4.71 3.25 0.01 2.29 8.00 -1.26 -4.13 116.55 129.42 1xwe n ASP 1622Ca 0.00 -3.05 0.02 0.00 0.71 0.00 0.00 54.79 52.47 1xwe n ASP 1622Cb 0.40 0.29 0.09 0.00 -0.02 0.00 0.00 41.12 41.88 1xwe n ASP 1622CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1xwe n SER 1623N -1.34 0.03 -0.74 -2.24 3.41 -1.18 -0.74 113.62 110.83 1xwe n SER 1623Ca -0.18 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.01 1xwe n SER 1623Cb 0.60 -0.52 0.17 0.00 -0.26 0.00 0.00 64.21 64.21 1xwe n SER 1623CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwe n LEU 1624N -1.54 2.14 -4.63 1.04 -0.00 -1.26 -4.61 117.00 108.13 1xwe n LEU 1624Ca 0.01 -1.07 -0.35 0.00 -0.00 0.00 0.00 56.01 54.60 1xwe n LEU 1624Cb 0.03 -0.27 -0.10 0.00 -0.00 0.00 0.00 43.42 43.08 1xwe n LEU 1624CO 0.03 0.52 -0.32 -0.89 -0.00 0.00 0.00 177.39 176.74 1xwe s THR 1625N -1.49 4.23 -0.32 1.47 2.01 0.08 -4.54 115.64 117.09 1xwe s THR 1625Ca 0.26 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1xwe s THR 1625Cb 0.14 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1xwe s THR 1625CO 0.18 0.57 0.16 0.86 -0.69 0.00 0.00 174.62 175.70 1xwe s TRP 1626N -0.51 3.19 -0.11 4.92 -0.11 -0.81 -4.27 118.94 121.23 1xwe s TRP 1626Ca 0.09 -0.55 -0.01 0.00 1.22 0.00 0.00 56.10 56.85 1xwe s TRP 1626Cb -0.12 -2.37 0.03 0.00 -1.50 0.00 0.00 33.47 29.51 1xwe s TRP 1626CO 0.02 -0.45 -0.03 0.42 -4.62 0.00 0.00 176.95 172.29 1xwe s ILE 1627N 1.62 0.76 -0.00 5.86 1.01 -1.24 -1.65 121.20 127.55 1xwe s ILE 1627Ca 0.05 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.53 1xwe s ILE 1627Cb -0.17 -0.90 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1xwe s ILE 1627CO 0.07 0.23 -0.16 -0.70 0.00 0.00 0.00 174.94 174.38 1xwe s GLU 1628N 1.81 1.22 0.27 2.79 2.12 -0.91 -3.15 118.70 122.85 1xwe s GLU 1628Ca 0.04 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.46 1xwe s GLU 1628Cb -0.13 -1.20 -0.10 0.00 0.26 0.00 0.00 34.13 32.96 1xwe s GLU 1628CO -0.07 0.32 1.41 -0.47 -0.54 0.00 0.00 175.26 175.91 1xwe s TYR 1629N -0.47 3.01 -0.31 5.30 6.14 -1.26 -0.87 117.35 128.90 1xwe s TYR 1629Ca 0.05 1.12 -0.06 0.00 0.64 0.00 0.00 57.07 58.82 1xwe s TYR 1629Cb -0.06 -3.79 0.02 0.00 0.42 0.00 0.00 41.96 38.54 1xwe s TYR 1629CO -0.00 -2.49 0.08 -0.46 0.64 0.00 0.00 175.55 173.31 1xwe s TRP 1630N -0.27 3.18 -0.22 4.97 -0.11 -0.88 -4.86 118.94 120.75 1xwe s TRP 1630Ca 0.57 -1.21 -0.36 0.00 1.22 0.00 0.00 56.10 56.32 1xwe s TRP 1630Cb -0.41 -2.24 -0.12 0.00 -1.50 0.00 0.00 33.47 29.19 1xwe s TRP 1630CO 0.46 -0.65 1.96 -2.30 -4.62 0.00 0.00 176.95 171.80 1xwe n PRO 1631N 4.82 1.60 0.03 5.86 -0.02 -1.26 -4.61 135.00 141.42 1xwe n PRO 1631Ca -0.14 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1xwe n PRO 1631Cb 0.47 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 1xwe n PRO 1631CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xwe h ARG 1632N 10.06 0.08 -6.48 -0.52 3.08 -1.95 -3.44 114.38 115.21 1xwe h ARG 1632Ca -0.41 -0.14 -0.57 0.00 0.07 0.00 0.00 59.98 58.93 1xwe h ARG 1632Cb 1.30 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.34 1xwe h ARG 1632CO 0.97 0.87 0.94 -0.51 -1.07 0.00 0.00 179.97 181.18 1xwe s ASP 1633N -6.60 6.69 0.00 7.04 1.01 -1.26 -4.77 116.67 118.78 1xwe s ASP 1633Ca -0.04 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.10 1xwe s ASP 1633Cb 0.08 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1xwe s ASP 1633CO 0.83 -1.13 0.37 0.35 0.21 0.00 0.00 175.17 175.80 1xwe n THR 1634N 6.43 0.00 -0.34 -1.27 -2.24 -1.26 -4.63 114.28 110.97 1xwe n THR 1634Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.90 1xwe n THR 1634Cb 0.48 1.01 0.11 0.00 -2.10 0.00 0.00 70.33 69.82 1xwe n THR 1634CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwe h THR 1635N 2.69 1.19 -3.03 4.28 1.03 -1.91 -3.43 112.91 113.72 1xwe h THR 1635Ca 0.00 -0.41 -0.59 0.00 -0.01 0.00 0.00 66.41 65.40 1xwe h THR 1635Cb 0.92 -0.10 -0.04 0.00 -1.07 0.00 0.00 68.15 67.86 1xwe h THR 1635CO 0.00 0.22 -0.39 0.00 -0.01 0.00 0.00 175.52 175.34 1xwe n SER 1637N 0.11 0.00 -1.43 0.00 2.88 -1.26 -2.54 113.62 111.38 1xwe n SER 1637Ca -0.04 -0.56 0.10 0.00 -1.33 0.00 0.00 58.87 57.04 1xwe n SER 1637Cb 0.52 -0.07 0.33 0.00 -0.75 0.00 0.00 64.21 64.23 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 -1.07 4.19 -0.91 -3.46 3.41 -1.26 -4.14 113.62 110.38 1xwe n SER 1638Ca 0.16 -2.21 0.01 0.00 -0.26 0.00 0.00 58.87 56.58 1xwe n SER 1638Cb 0.11 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 63.54 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 0.20 2.03 0.14 0.00 6.02 -1.25 -4.49 117.38 120.03 1xwe n GLN 1640Ca 0.01 -2.18 -0.14 0.00 -0.01 0.00 0.00 57.00 54.68 1xwe n GLN 1640Cb 0.87 -1.33 -0.08 0.00 1.02 0.00 0.00 30.24 30.72 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 0.15 -0.36 -0.10 -1.58 0.00 -1.87 -1.96 119.26 113.54 1xwe h ALA 1641Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1xwe h ALA 1641Cb 0.83 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1xwe h ALA 1641CO 0.01 -0.57 -0.24 0.35 0.00 0.00 0.00 179.25 178.80 1xwe h PHE 1642N -0.62 0.18 0.00 0.00 3.57 -1.99 -2.06 116.94 116.02 1xwe h PHE 1642Ca -0.04 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1xwe h PHE 1642Cb 0.44 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1xwe h PHE 1642CO 0.01 0.39 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.27 1xwe h LEU 1643N 0.15 0.00 -1.50 0.59 -0.00 -1.83 -2.48 115.31 110.24 1xwe h LEU 1643Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1xwe h LEU 1643Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1xwe h LEU 1643CO 0.04 0.15 -0.09 0.00 -0.00 0.00 0.00 178.44 178.53 1xwe h ALA 1644N 1.85 1.04 0.00 1.53 0.00 -0.60 -2.31 119.26 120.79 1xwe h ALA 1644Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1xwe h ALA 1644Cb 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1xwe h ALA 1644CO 0.02 0.11 -0.96 -0.91 0.00 0.00 0.00 179.25 177.51 1xwe h ASN 1645N 0.00 0.00 1.36 0.00 4.21 -1.52 -3.32 115.58 116.32 1xwe h ASN 1645Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1xwe h ASN 1645Cb 0.53 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1xwe h ASN 1645CO 0.01 0.33 -0.66 -0.07 -1.29 0.00 0.00 177.43 175.75 1xwe h LEU 1646N 0.00 0.00 -0.81 1.61 3.38 -1.44 -3.31 115.31 114.73 1xwe h LEU 1646Ca -0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1xwe h LEU 1646Cb 1.31 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 1xwe h LEU 1646CO 0.03 0.34 0.39 -0.78 0.09 0.00 0.00 178.44 178.51 1xwe h ASP 1647N 0.00 1.05 0.96 -0.43 1.82 -1.52 -1.05 116.42 117.25 1xwe h ASP 1647Ca -0.04 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.47 1xwe h ASP 1647Cb 1.29 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 41.03 1xwe h ASP 1647CO 0.04 0.89 0.00 -0.08 -1.61 0.00 0.00 179.24 178.48 1xwe h GLU 1648N 1.14 0.00 0.19 0.28 4.81 -1.72 -2.79 114.58 116.49 1xwe h GLU 1648Ca 0.28 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 59.16 1xwe h GLU 1648Cb 0.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.50 1xwe h GLU 1648CO -0.04 0.00 -1.70 0.35 -0.73 0.00 0.00 179.01 176.89 1xwe h PHE 1649N 0.00 0.74 0.46 0.92 3.57 -1.38 -3.10 116.94 118.15 1xwe h PHE 1649Ca 0.00 -0.54 -0.02 0.00 3.53 0.00 0.00 57.97 60.94 1xwe h PHE 1649Cb 0.48 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1xwe h PHE 1649CO 0.00 1.64 -0.22 0.00 -2.23 0.00 0.00 178.31 177.50 1xwe h ALA 1650N 0.15 -0.61 -0.18 2.41 0.00 -1.09 -2.51 119.26 117.42 1xwe h ALA 1650Ca -0.33 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xwe h ALA 1650Cb 2.11 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 1xwe h ALA 1650CO 0.19 -0.71 0.11 1.05 0.00 0.00 0.00 179.25 179.90 1xwe h GLU 1651N -0.89 0.24 0.09 0.00 4.11 -1.69 -1.54 114.58 114.91 1xwe h GLU 1651Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.35 1xwe h GLU 1651Cb 0.58 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xwe h GLU 1651CO 0.10 0.17 -0.05 0.22 0.07 0.00 0.00 179.01 179.53 1xwe h ASP 1652N 0.25 -0.11 -0.41 3.06 3.58 -1.46 0.37 116.42 121.70 1xwe h ASP 1652Ca 0.07 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.64 1xwe h ASP 1652Cb -0.01 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1xwe h ASP 1652CO -0.01 -0.07 0.29 -0.29 -2.88 0.00 0.00 179.24 176.29 1xwe h ILE 1653N -0.15 0.80 0.01 2.25 6.09 -1.44 0.80 117.51 125.87 1xwe h ILE 1653Ca -0.01 -0.01 -0.03 0.00 -1.37 0.00 0.00 64.86 63.44 1xwe h ILE 1653Cb 0.10 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.17 1xwe h ILE 1653CO 0.02 0.00 -0.13 0.15 -3.07 0.00 0.00 178.15 175.12 1xwe h PHE 1654N 0.01 0.12 0.00 2.19 3.57 -1.28 -3.27 116.94 118.29 1xwe h PHE 1654Ca 0.20 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1xwe h PHE 1654Cb 0.76 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1xwe h PHE 1654CO -0.00 0.91 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.85 1xwe h LEU 1655N -0.69 0.00 0.00 0.59 3.38 0.28 -3.43 115.31 115.43 1xwe h LEU 1655Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xwe h LEU 1655Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xwe h LEU 1655CO 0.03 0.17 0.00 0.59 0.09 0.00 0.00 178.44 179.31 1xwe n ASN 1656N -2.81 0.00 -0.28 -0.43 5.03 0.26 -5.04 115.26 111.99 1xwe n ASN 1656Ca -0.01 0.73 0.02 0.00 0.87 0.00 0.00 54.58 56.19 1xwe n ASN 1656Cb 0.03 -0.26 -0.01 0.00 -1.02 0.00 0.00 39.78 38.52 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 -0.55 -2.84 0.48 7.41 0.00 -0.31 -4.97 105.19 104.41 1xwe n GLY 1657Ca 0.00 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.83 1xwe n GLY 1657CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32