#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gxb s VAL 1496N 0.00 5.19 -0.24 3.17 1.01 -1.26 -2.91 120.40 125.36 3gxb s VAL 1496Ca 0.00 0.55 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 3gxb s VAL 1496Cb 0.00 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.76 3gxb s VAL 1496CO 0.00 0.18 0.63 -0.22 0.00 0.00 0.00 175.10 175.70 3gxb s LEU 1497N 1.92 -0.48 -0.33 3.92 2.96 -1.21 -4.29 118.68 121.16 3gxb s LEU 1497Ca 0.15 1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 55.25 3gxb s LEU 1497Cb -0.16 2.18 0.00 0.00 0.50 0.00 0.00 46.19 48.71 3gxb s LEU 1497CO 0.09 -0.22 0.18 -1.81 -1.32 0.00 0.00 176.35 173.27 3gxb s ASP 1498N 0.53 5.65 -0.12 3.68 1.01 -0.60 -0.53 116.67 126.30 3gxb s ASP 1498Ca -0.02 -0.65 0.03 0.00 0.71 0.00 0.00 52.55 52.62 3gxb s ASP 1498Cb -0.05 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.87 3gxb s ASP 1498CO -0.02 -0.26 -0.22 0.54 0.21 0.00 0.00 175.17 175.42 3gxb s VAL 1499N 1.61 1.99 -0.12 -1.27 0.11 -0.08 -0.60 120.40 122.04 3gxb s VAL 1499Ca 0.04 -0.96 -0.03 0.00 -2.93 0.00 0.00 61.98 58.10 3gxb s VAL 1499Cb -0.18 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 32.89 3gxb s VAL 1499CO 0.07 0.54 -0.01 0.00 -3.33 0.00 0.00 175.10 172.37 3gxb s ALA 1500N 0.59 3.16 -0.18 1.54 0.00 0.10 -1.77 121.76 125.20 3gxb s ALA 1500Ca -0.13 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3gxb s ALA 1500Cb -0.17 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3gxb s ALA 1500CO 0.04 0.38 -0.05 -0.06 0.00 0.00 0.00 175.76 176.07 3gxb s PHE 1501N -0.22 2.97 -0.23 0.00 0.08 -0.01 -0.79 117.98 119.79 3gxb s PHE 1501Ca 0.05 -0.54 0.02 0.00 0.12 0.00 0.00 56.93 56.58 3gxb s PHE 1501Cb -0.13 -2.00 0.05 0.00 -0.57 0.00 0.00 43.02 40.37 3gxb s PHE 1501CO 0.02 -0.23 -0.14 0.08 -0.10 0.00 0.00 175.22 174.85 3gxb s VAL 1502N 0.77 2.12 -0.20 -0.44 1.01 -0.14 -0.59 120.40 122.93 3gxb s VAL 1502Ca -0.02 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 60.52 3gxb s VAL 1502Cb -0.15 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3gxb s VAL 1502CO 0.02 0.17 -0.01 -0.76 0.00 0.00 0.00 175.10 174.51 3gxb s LEU 1503N 1.17 3.17 0.08 3.92 1.43 -0.04 -0.46 118.68 127.95 3gxb s LEU 1503Ca -0.04 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 52.51 3gxb s LEU 1503Cb -0.18 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 3gxb s LEU 1503CO -0.08 0.06 1.43 -0.70 0.23 0.00 0.00 176.35 177.29 3gxb s GLU 1504N 1.04 4.29 -0.20 1.70 2.12 -0.52 -1.15 118.70 125.98 3gxb s GLU 1504Ca 0.02 2.09 0.16 0.00 0.36 0.00 0.00 54.97 57.60 3gxb s GLU 1504Cb -0.14 -3.37 0.46 0.00 0.26 0.00 0.00 34.13 31.34 3gxb s GLU 1504CO 0.01 -0.51 1.17 0.41 -0.54 0.00 0.00 175.26 175.80 3gxb n GLY 1505N 3.60 3.69 3.88 -1.50 0.00 0.44 -4.87 105.19 110.42 3gxb n GLY 1505Ca 0.12 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 3gxb n GLY 1505CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gxb s SER 1506N -3.22 5.00 0.34 1.61 1.04 -1.25 -1.23 113.70 116.00 3gxb s SER 1506Ca 0.38 1.02 0.09 0.00 0.48 0.00 0.00 55.95 57.92 3gxb s SER 1506Cb 0.37 -1.70 0.83 0.00 0.10 0.00 0.00 66.02 65.62 3gxb s SER 1506CO -0.05 -1.61 1.82 0.44 0.98 0.00 0.00 173.24 174.82 3gxb h ASP 1507N -0.85 0.67 -0.63 7.02 3.32 -0.93 -0.94 116.42 124.08 3gxb h ASP 1507Ca -0.46 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3gxb h ASP 1507Cb 1.28 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3gxb h ASP 1507CO 0.64 0.28 0.35 0.11 -1.72 0.00 0.00 179.24 178.90 3gxb h LYS 1508N 0.68 0.90 0.26 3.56 1.57 -1.93 -2.63 116.57 118.98 3gxb h LYS 1508Ca 0.51 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 3gxb h LYS 1508Cb 0.90 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3gxb h LYS 1508CO -0.28 0.66 -0.13 0.82 -0.57 0.00 0.00 179.45 179.96 3gxb h ILE 1509N 0.90 0.78 0.00 1.86 1.08 -1.55 -3.50 117.51 117.08 3gxb h ILE 1509Ca 0.23 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 3gxb h ILE 1509Cb 0.03 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3gxb h ILE 1509CO -0.04 0.12 0.00 0.61 -0.69 0.00 0.00 178.15 178.15 3gxb n GLY 1510N -0.42 -2.35 0.27 5.37 0.00 -0.82 -4.20 105.19 103.05 3gxb n GLY 1510Ca -0.09 -1.45 -0.06 0.00 0.00 0.00 0.00 46.02 44.41 3gxb n GLY 1510CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gxb h GLU 1511N 0.00 0.89 -0.03 1.61 4.81 -1.89 -1.22 114.58 118.75 3gxb h GLU 1511Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3gxb h GLU 1511Cb 0.00 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3gxb h GLU 1511CO 0.00 0.67 0.02 0.00 -0.73 0.00 0.00 179.01 178.96 3gxb h ALA 1512N 1.17 0.04 -0.21 2.92 0.00 -2.00 0.41 119.26 121.58 3gxb h ALA 1512Ca 0.22 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3gxb h ALA 1512Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gxb h ALA 1512CO -0.04 -0.45 -0.38 -0.44 0.00 0.00 0.00 179.25 177.94 3gxb h ASP 1513N 0.01 0.49 -0.82 0.00 3.32 -1.71 -2.67 116.42 115.04 3gxb h ASP 1513Ca 0.01 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.82 3gxb h ASP 1513Cb 0.02 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3gxb h ASP 1513CO -0.00 0.83 0.39 0.15 -1.72 0.00 0.00 179.24 178.89 3gxb h PHE 1514N 0.39 1.18 -0.88 4.55 3.57 -1.01 -1.41 116.94 123.34 3gxb h PHE 1514Ca 0.04 -0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.59 3gxb h PHE 1514Cb 0.84 -0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 3gxb h PHE 1514CO 0.03 0.86 0.57 -0.91 -2.23 0.00 0.00 178.31 176.63 3gxb h ASN 1515N 1.16 0.74 -0.17 0.41 4.21 -0.60 -0.18 115.58 121.16 3gxb h ASN 1515Ca 0.28 0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.69 3gxb h ASN 1515Cb 0.12 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 3gxb h ASN 1515CO -0.04 0.42 -0.34 0.03 -1.29 0.00 0.00 177.43 176.22 3gxb h ARG 1516N 0.81 0.68 -0.58 0.81 2.47 -1.10 -1.08 114.38 116.39 3gxb h ARG 1516Ca 0.42 -0.32 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 3gxb h ARG 1516Cb 0.51 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 3gxb h ARG 1516CO -0.19 0.92 0.05 0.66 0.56 0.00 0.00 179.97 181.98 3gxb h SER 1517N 0.57 0.92 -0.55 7.04 4.64 -0.26 -0.21 113.55 125.71 3gxb h SER 1517Ca 0.06 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3gxb h SER 1517Cb 0.85 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 3gxb h SER 1517CO 0.07 0.95 0.23 0.11 -0.87 0.00 0.00 176.83 177.32 3gxb h LYS 1518N 0.90 0.82 -0.46 4.77 1.57 -0.88 -1.49 116.57 121.81 3gxb h LYS 1518Ca 0.17 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3gxb h LYS 1518Cb 0.45 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3gxb h LYS 1518CO 0.02 0.71 0.19 1.49 -0.57 0.00 0.00 179.45 181.29 3gxb h GLU 1519N 0.76 0.67 -0.47 3.15 4.81 -0.93 -0.93 114.58 121.64 3gxb h GLU 1519Ca 0.19 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3gxb h GLU 1519Cb 0.19 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 3gxb h GLU 1519CO -0.02 0.60 0.17 0.35 -0.73 0.00 0.00 179.01 179.39 3gxb h PHE 1520N 0.59 0.31 -0.25 0.92 3.57 -0.87 -1.75 116.94 119.46 3gxb h PHE 1520Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 3gxb h PHE 1520Cb 0.17 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3gxb h PHE 1520CO -0.00 0.11 -0.46 1.98 -2.23 0.00 0.00 178.31 177.71 3gxb h MET 1521N 0.35 0.66 -0.35 1.11 4.05 -0.99 -2.07 114.93 117.70 3gxb h MET 1521Ca 0.22 -0.37 0.03 0.00 -0.28 0.00 0.00 59.70 59.30 3gxb h MET 1521Cb 0.22 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 3gxb h MET 1521CO -0.22 0.98 0.16 0.93 0.23 0.00 0.00 176.91 178.99 3gxb h GLU 1522N 0.53 0.32 -0.56 0.39 5.08 -0.96 -0.41 114.58 118.97 3gxb h GLU 1522Ca 0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3gxb h GLU 1522Cb 1.01 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 3gxb h GLU 1522CO 0.09 0.21 0.24 1.49 -1.00 0.00 0.00 179.01 180.05 3gxb h GLU 1523N 0.33 0.81 0.20 2.33 4.57 -1.09 0.01 114.58 121.75 3gxb h GLU 1523Ca 0.15 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3gxb h GLU 1523Cb 0.08 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3gxb h GLU 1523CO -0.12 0.65 -0.10 0.28 -1.18 0.00 0.00 179.01 178.55 3gxb h VAL 1524N 0.80 0.89 -0.77 0.32 2.07 -1.12 -3.24 116.25 115.20 3gxb h VAL 1524Ca 0.19 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3gxb h VAL 1524Cb 0.14 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3gxb h VAL 1524CO -0.02 0.14 0.34 0.40 0.02 0.00 0.00 177.57 178.45 3gxb h ILE 1525N -0.61 1.25 -0.94 4.57 2.04 -0.84 -1.96 117.51 121.02 3gxb h ILE 1525Ca -0.03 -0.75 0.20 0.00 1.00 0.00 0.00 64.86 65.29 3gxb h ILE 1525Cb 0.44 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 36.74 3gxb h ILE 1525CO 0.05 0.31 0.61 1.56 0.00 0.00 0.00 178.15 180.67 3gxb h GLN 1526N 1.11 0.49 -0.02 2.37 1.08 -1.07 -2.43 115.11 116.63 3gxb h GLN 1526Ca 0.26 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3gxb h GLN 1526Cb 0.16 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3gxb h GLN 1526CO -0.03 0.32 -0.20 0.54 -0.95 0.00 0.00 178.83 178.51 3gxb n ARG 1527N -4.57 1.75 -3.23 1.46 1.74 -0.78 -4.94 116.66 108.08 3gxb n ARG 1527Ca 0.20 -1.44 -0.36 0.00 -0.77 0.00 0.00 57.85 55.48 3gxb n ARG 1527Cb 0.67 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.62 3gxb n ARG 1527CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3gxb s MET 1528N -2.09 4.14 -1.37 5.56 -1.94 -0.92 -4.99 119.30 117.70 3gxb s MET 1528Ca 0.22 0.70 -0.15 0.00 -1.71 0.00 0.00 55.69 54.76 3gxb s MET 1528Cb 0.18 -2.99 0.00 0.00 2.01 0.00 0.00 34.83 34.03 3gxb s MET 1528CO 0.40 0.49 2.24 -3.47 -0.01 0.00 0.00 175.02 174.66 3gxb n ASP 1529N 0.99 4.02 -4.73 3.03 2.03 -1.26 -4.95 116.55 115.69 3gxb n ASP 1529Ca -0.05 -2.79 -0.41 0.00 0.52 0.00 0.00 54.79 52.05 3gxb n ASP 1529Cb 0.51 -1.57 -0.04 0.00 -0.72 0.00 0.00 41.12 39.30 3gxb n ASP 1529CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gxb s VAL 1530N 3.38 4.07 -0.20 5.18 1.01 -1.26 -2.43 120.40 130.15 3gxb s VAL 1530Ca 0.50 1.64 -0.36 0.00 0.00 0.00 0.00 61.98 63.76 3gxb s VAL 1530Cb 0.14 -4.05 0.14 0.00 0.00 0.00 0.00 36.38 32.62 3gxb s VAL 1530CO -0.06 0.21 1.23 -0.83 0.00 0.00 0.00 175.10 175.65 3gxb s GLY 1531N 0.41 -0.28 0.44 4.51 0.00 -0.72 -4.45 107.32 107.23 3gxb s GLY 1531Ca 0.53 1.65 0.10 0.00 0.00 0.00 0.00 44.72 46.99 3gxb s GLY 1531CO 0.32 0.55 2.07 -1.61 0.00 0.00 0.00 173.10 174.43 3gxb h GLN 1532N 2.00 0.41 -0.39 2.90 5.75 -1.76 -1.90 115.11 122.12 3gxb h GLN 1532Ca -0.08 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3gxb h GLN 1532Cb 1.16 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 3gxb h GLN 1532CO 0.22 0.27 0.00 -0.40 -2.65 0.00 0.00 178.83 176.28 3gxb n ASP 1533N -4.49 4.61 0.00 -0.69 5.75 -1.26 -4.93 116.55 115.53 3gxb n ASP 1533Ca 0.02 -3.00 0.00 0.00 -0.01 0.00 0.00 54.79 51.80 3gxb n ASP 1533Cb 0.10 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.58 3gxb n ASP 1533CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3gxb n SER 1534N -0.08 0.00 -4.70 -1.12 7.64 -0.72 -4.80 113.62 109.84 3gxb n SER 1534Ca 0.24 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.70 3gxb n SER 1534Cb 1.02 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 3gxb n SER 1534CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gxb s ILE 1535N 3.24 4.83 -0.08 0.44 1.01 -1.02 -3.35 121.20 126.28 3gxb s ILE 1535Ca 0.00 2.04 -0.04 0.00 0.00 0.00 0.00 60.65 62.64 3gxb s ILE 1535Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3gxb s ILE 1535CO 0.00 0.09 0.11 -1.00 0.00 0.00 0.00 174.94 174.14 3gxb s HIS 1536N 1.48 3.46 -0.05 3.97 3.76 0.31 -1.76 115.29 126.45 3gxb s HIS 1536Ca 0.50 0.39 0.04 0.00 -0.15 0.00 0.00 55.06 55.84 3gxb s HIS 1536Cb -0.20 -1.86 -0.00 0.00 1.11 0.00 0.00 32.58 31.63 3gxb s HIS 1536CO 0.23 0.64 -0.18 0.08 -0.85 0.00 0.00 174.74 174.67 3gxb s VAL 1537N -1.08 1.48 0.08 -0.90 1.01 -1.26 -0.90 120.40 118.83 3gxb s VAL 1537Ca 0.18 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.52 3gxb s VAL 1537Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3gxb s VAL 1537CO 0.08 0.43 -0.25 0.28 0.00 0.00 0.00 175.10 175.63 3gxb s THR 1538N 0.13 2.06 -0.09 3.92 -1.32 -0.73 -4.28 115.64 115.32 3gxb s THR 1538Ca -0.06 -1.49 0.01 0.00 -1.21 0.00 0.00 61.69 58.94 3gxb s THR 1538Cb -0.13 -1.80 0.02 0.00 -1.51 0.00 0.00 72.50 69.09 3gxb s THR 1538CO 0.03 0.21 -0.11 -0.69 -2.21 0.00 0.00 174.62 171.85 3gxb s VAL 1539N -0.92 1.17 0.06 5.08 1.01 0.09 -0.83 120.40 126.06 3gxb s VAL 1539Ca 0.11 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3gxb s VAL 1539Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3gxb s VAL 1539CO 0.03 0.38 -0.20 -0.76 0.00 0.00 0.00 175.10 174.55 3gxb s LEU 1540N 1.16 2.51 -0.02 3.92 1.43 0.25 -0.75 118.68 127.17 3gxb s LEU 1540Ca -0.05 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3gxb s LEU 1540Cb -0.14 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 3gxb s LEU 1540CO -0.02 0.24 -0.21 -1.58 0.23 0.00 0.00 176.35 175.00 3gxb s GLN 1541N -1.55 2.23 0.01 1.70 0.74 -0.30 -0.86 119.66 121.64 3gxb s GLN 1541Ca 0.14 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.68 3gxb s GLN 1541Cb -0.10 -2.17 -0.01 0.00 1.10 0.00 0.00 33.01 31.82 3gxb s GLN 1541CO 0.05 0.58 -0.00 1.52 -0.55 0.00 0.00 175.29 176.89 3gxb s TYR 1542N -0.69 0.20 0.00 1.67 -0.85 -0.30 0.04 117.35 117.42 3gxb s TYR 1542Ca 0.11 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 3gxb s TYR 1542Cb -0.10 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.09 3gxb s TYR 1542CO 0.00 -0.18 0.00 -1.13 -1.52 0.00 0.00 175.55 172.72 3gxb n SER 1543N 1.76 0.00 0.04 -0.18 3.41 -1.26 -0.42 113.62 116.96 3gxb n SER 1543Ca -0.22 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.19 3gxb n SER 1543Cb 0.56 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 3gxb n SER 1543CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3gxb h TYR 1544N 0.00 1.01 -1.79 7.33 3.20 -1.81 -0.17 116.97 124.74 3gxb h TYR 1544Ca 0.00 -0.54 -0.58 0.00 3.14 0.00 0.00 58.73 60.75 3gxb h TYR 1544Cb 0.00 -0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.05 3gxb h TYR 1544CO 0.00 1.37 -0.57 0.00 -1.64 0.00 0.00 178.16 177.32 3gxb s MET 1545N -3.37 2.13 -0.15 1.82 0.23 -1.26 -4.80 119.30 113.91 3gxb s MET 1545Ca -0.09 -1.80 -0.11 0.00 -1.03 0.00 0.00 55.69 52.66 3gxb s MET 1545Cb 0.07 -1.94 -0.05 0.00 -1.53 0.00 0.00 34.83 31.39 3gxb s MET 1545CO 0.91 0.04 0.20 0.08 -2.03 0.00 0.00 175.02 174.22 3gxb s VAL 1546N -2.55 5.38 -0.16 5.16 1.01 -1.26 -4.33 120.40 123.64 3gxb s VAL 1546Ca 0.37 0.35 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 3gxb s VAL 1546Cb 0.02 -3.51 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 3gxb s VAL 1546CO 0.20 0.49 -0.14 -0.89 0.00 0.00 0.00 175.10 174.77 3gxb s THR 1547N -0.15 2.78 -0.51 3.92 2.01 0.11 -5.00 115.64 118.79 3gxb s THR 1547Ca 0.14 -0.73 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 3gxb s THR 1547Cb -0.12 -2.18 0.03 0.00 0.01 0.00 0.00 72.50 70.24 3gxb s THR 1547CO 0.03 0.51 1.02 -0.69 -0.69 0.00 0.00 174.62 174.80 3gxb s VAL 1548N 0.83 4.31 -0.10 3.82 1.01 -1.26 -1.15 120.40 127.86 3gxb s VAL 1548Ca -0.05 0.74 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 3gxb s VAL 1548Cb -0.15 -4.55 -0.27 0.00 0.00 0.00 0.00 36.38 31.40 3gxb s VAL 1548CO -0.00 -1.04 0.49 -0.33 0.00 0.00 0.00 175.10 174.22 3gxb h GLU 1549N 9.26 0.28 -3.12 2.72 4.39 -1.30 -3.45 114.58 123.37 3gxb h GLU 1549Ca -0.25 -0.48 -0.36 0.00 0.34 0.00 0.00 59.36 58.61 3gxb h GLU 1549Cb 1.07 0.18 -0.38 0.00 -0.10 0.00 0.00 28.75 29.52 3gxb h GLU 1549CO 1.09 1.23 -0.70 -0.47 -1.16 0.00 0.00 179.01 179.01 3gxb s TYR 1550N -2.53 -0.02 0.48 4.33 6.14 -0.80 -4.94 117.35 120.01 3gxb s TYR 1550Ca -0.20 0.26 -0.11 0.00 0.64 0.00 0.00 57.07 57.66 3gxb s TYR 1550Cb 0.06 -0.44 -0.06 0.00 0.42 0.00 0.00 41.96 41.94 3gxb s TYR 1550CO 0.78 -0.32 0.86 -1.25 0.64 0.00 0.00 175.55 176.27 3gxb s PRO 1551N 2.22 3.73 0.47 4.97 0.04 -1.26 -0.73 135.00 144.43 3gxb s PRO 1551Ca 0.04 0.56 0.12 0.00 0.04 0.00 0.00 61.00 61.76 3gxb s PRO 1551Cb -0.13 -2.28 1.07 0.00 0.04 0.00 0.00 34.50 33.20 3gxb s PRO 1551CO -0.06 -0.21 2.10 0.74 0.04 0.00 0.00 177.00 179.61 3gxb h PHE 1552N 0.71 0.25 -0.09 0.56 0.05 -1.90 -2.96 116.94 113.56 3gxb h PHE 1552Ca -0.46 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.33 3gxb h PHE 1552Cb 1.19 -0.09 0.00 0.00 2.00 0.00 0.00 35.95 39.06 3gxb h PHE 1552CO 0.62 0.16 0.00 -1.13 -0.18 0.00 0.00 178.31 177.78 3gxb n SER 1553N -4.51 0.97 -4.96 2.17 3.41 -1.26 -4.76 113.62 104.68 3gxb n SER 1553Ca 0.00 -1.56 -0.22 0.00 -0.26 0.00 0.00 58.87 56.84 3gxb n SER 1553Cb 0.09 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3gxb n SER 1553CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gxb s GLU 1554N -1.89 3.04 0.16 4.33 2.02 -1.12 -5.03 118.70 120.21 3gxb s GLU 1554Ca 0.32 -0.64 -0.34 0.00 0.02 0.00 0.00 54.97 54.33 3gxb s GLU 1554Cb 0.16 -2.62 -0.14 0.00 0.10 0.00 0.00 34.13 31.63 3gxb s GLU 1554CO 0.25 -0.22 1.52 0.00 0.02 0.00 0.00 175.26 176.83 3gxb n ALA 1555N -1.99 0.96 -2.33 5.21 0.00 -1.26 -4.87 120.51 116.22 3gxb n ALA 1555Ca 0.02 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 3gxb n ALA 1555Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3gxb n ALA 1555CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gxb n GLN 1556N 3.09 4.35 -5.10 0.00 1.13 -1.26 -4.79 117.38 114.80 3gxb n GLN 1556Ca 0.16 -3.79 -0.32 0.00 -1.94 0.00 0.00 57.00 51.12 3gxb n GLN 1556Cb 0.28 -2.70 -0.16 0.00 0.11 0.00 0.00 30.24 27.77 3gxb n GLN 1556CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3gxb s SER 1557N 0.01 3.39 0.26 1.08 1.04 -1.26 -2.46 113.70 115.77 3gxb s SER 1557Ca 0.44 -0.45 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 3gxb s SER 1557Cb 0.14 -1.15 0.49 0.00 0.10 0.00 0.00 66.02 65.60 3gxb s SER 1557CO -0.04 0.22 1.81 0.50 0.98 0.00 0.00 173.24 176.72 3gxb h LYS 1558N 6.27 0.83 -0.44 4.02 3.64 -1.91 -2.36 116.57 126.63 3gxb h LYS 1558Ca -0.29 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 3gxb h LYS 1558Cb 1.20 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 3gxb h LYS 1558CO 0.49 0.55 0.22 0.78 -2.27 0.00 0.00 179.45 179.23 3gxb h GLY 1559N 0.86 0.66 1.03 5.01 0.00 -1.96 -0.32 103.07 108.35 3gxb h GLY 1559Ca 0.45 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 3gxb h GLY 1559CO -0.27 0.30 0.35 -0.55 0.00 0.00 0.00 176.54 176.37 3gxb h ASP 1560N 0.57 1.04 -0.20 0.19 3.32 -1.80 -2.22 116.42 117.31 3gxb h ASP 1560Ca 0.15 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3gxb h ASP 1560Cb 0.09 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 3gxb h ASP 1560CO -0.02 0.90 -0.13 0.40 -1.72 0.00 0.00 179.24 178.67 3gxb h ILE 1561N 1.11 1.32 -0.89 0.35 2.04 -1.21 -2.44 117.51 117.78 3gxb h ILE 1561Ca 0.26 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 3gxb h ILE 1561Cb 0.15 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3gxb h ILE 1561CO -0.03 0.37 0.55 -0.07 0.00 0.00 0.00 178.15 178.97 3gxb h LEU 1562N 0.13 1.06 -0.38 1.44 3.38 -1.01 0.11 115.31 120.04 3gxb h LEU 1562Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3gxb h LEU 1562Cb 0.64 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3gxb h LEU 1562CO 0.04 0.81 0.19 -0.61 0.09 0.00 0.00 178.44 178.95 3gxb h GLN 1563N 1.22 0.54 -0.69 1.13 5.75 -1.38 -0.33 115.11 121.35 3gxb h GLN 1563Ca 0.32 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.72 3gxb h GLN 1563Cb -0.07 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 3gxb h GLN 1563CO -0.06 0.47 0.33 0.00 -2.65 0.00 0.00 178.83 176.92 3gxb h ARG 1564N 0.47 1.00 -0.13 1.69 2.47 -1.03 -1.37 114.38 117.48 3gxb h ARG 1564Ca 0.13 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3gxb h ARG 1564Cb 0.11 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 3gxb h ARG 1564CO -0.02 0.79 0.06 0.28 0.56 0.00 0.00 179.97 181.64 3gxb h VAL 1565N 0.96 0.99 -0.54 2.04 2.07 -0.53 -1.71 116.25 119.53 3gxb h VAL 1565Ca 0.24 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.78 3gxb h VAL 1565Cb 0.13 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 3gxb h VAL 1565CO -0.03 0.02 0.36 -0.09 0.02 0.00 0.00 177.57 177.86 3gxb h ARG 1566N 0.13 0.44 -0.00 1.57 9.65 -0.82 -1.97 114.38 123.38 3gxb h ARG 1566Ca 0.05 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3gxb h ARG 1566Cb 0.02 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 3gxb h ARG 1566CO -0.04 0.29 -0.20 0.39 2.80 0.00 0.00 179.97 183.22 3gxb n GLU 1567N -4.47 0.10 -1.70 0.20 1.02 -0.54 -4.89 120.64 110.36 3gxb n GLU 1567Ca 0.08 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 3gxb n GLU 1567Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 3gxb n GLU 1567CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3gxb n ILE 1568N -1.42 0.14 -4.17 -3.67 5.41 -0.70 -4.98 119.36 109.97 3gxb n ILE 1568Ca 0.08 -0.03 -0.35 0.00 1.00 0.00 0.00 62.75 63.45 3gxb n ILE 1568Cb 0.33 -1.97 -0.10 0.00 -0.71 0.00 0.00 39.64 37.19 3gxb n ILE 1568CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3gxb s ARG 1569N 1.75 3.58 0.13 0.38 0.52 -1.26 -5.07 118.95 118.98 3gxb s ARG 1569Ca 0.78 -0.37 -0.32 0.00 -0.52 0.00 0.00 55.73 55.30 3gxb s ARG 1569Cb -0.53 -3.03 -0.11 0.00 0.52 0.00 0.00 34.95 31.80 3gxb s ARG 1569CO 0.35 0.44 1.79 0.98 0.02 0.00 0.00 175.30 178.88 3gxb n TYR 1570N 2.97 2.59 -0.02 -0.53 9.36 -1.26 -4.91 117.16 125.37 3gxb n TYR 1570Ca -0.18 -0.06 -0.05 0.00 3.32 0.00 0.00 57.90 60.94 3gxb n TYR 1570Cb 0.53 -2.70 -0.12 0.00 -0.63 0.00 0.00 39.34 36.42 3gxb n TYR 1570CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3gxb n GLN 1571N 5.11 0.64 -0.50 2.98 10.64 -1.26 -5.08 117.38 129.91 3gxb n GLN 1571Ca 0.18 0.17 0.07 0.00 -1.83 0.00 0.00 57.00 55.59 3gxb n GLN 1571Cb 0.35 -1.72 -0.02 0.00 -0.86 0.00 0.00 30.24 27.99 3gxb n GLN 1571CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3gxb n GLY 1572N 1.52 -1.89 0.00 2.61 0.00 -0.36 -5.02 105.19 102.05 3gxb n GLY 1572Ca -0.17 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3gxb n GLY 1572CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gxb n GLY 1573N -1.79 4.49 0.50 -0.02 0.00 -1.26 -4.55 105.19 102.55 3gxb n GLY 1573Ca 0.00 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 45.11 3gxb n GLY 1573CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3gxb n ASN 1574N 0.00 1.50 -4.16 1.61 0.23 -1.26 -0.33 115.26 112.86 3gxb n ASN 1574Ca 0.00 -1.62 -0.11 0.00 -0.53 0.00 0.00 54.58 52.32 3gxb n ASN 1574Cb 0.00 -0.07 -0.10 0.00 -2.08 0.00 0.00 39.78 37.53 3gxb n ASN 1574CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3gxb s ARG 1575N -1.86 0.79 -0.77 -3.83 0.52 -1.26 -5.00 118.95 107.55 3gxb s ARG 1575Ca 0.34 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.33 3gxb s ARG 1575Cb 0.18 -0.24 0.22 0.00 0.52 0.00 0.00 34.95 35.64 3gxb s ARG 1575CO 0.28 -0.00 0.74 2.41 0.02 0.00 0.00 175.30 178.75 3gxb n THR 1576N 0.20 2.55 -1.77 0.02 -1.04 -1.25 -3.10 114.28 109.89 3gxb n THR 1576Ca -0.14 -5.14 -0.41 0.00 -2.04 0.00 0.00 64.05 56.32 3gxb n THR 1576Cb 0.60 -2.20 -0.01 0.00 -1.82 0.00 0.00 70.33 66.90 3gxb n THR 1576CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3gxb n ASN 1577N 1.64 5.74 -0.37 8.00 3.02 -0.07 -0.17 115.26 133.05 3gxb n ASN 1577Ca 0.24 -2.86 -0.02 0.00 -0.03 0.00 0.00 54.58 51.91 3gxb n ASN 1577Cb 0.37 -1.57 0.11 0.00 -0.61 0.00 0.00 39.78 38.08 3gxb n ASN 1577CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3gxb h THR 1578N 3.56 1.24 -0.73 3.41 2.02 -1.90 -2.54 112.91 117.98 3gxb h THR 1578Ca 0.63 -0.45 0.04 0.00 0.77 0.00 0.00 66.41 67.40 3gxb h THR 1578Cb 0.51 -0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 66.69 3gxb h THR 1578CO 1.77 0.24 0.45 1.23 0.37 0.00 0.00 175.52 179.58 3gxb h GLY 1579N 1.32 1.06 1.03 2.16 0.00 -1.84 -1.56 103.07 105.24 3gxb h GLY 1579Ca 0.36 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3gxb h GLY 1579CO -0.08 0.26 0.42 -2.00 0.00 0.00 0.00 176.54 175.13 3gxb h LEU 1580N 0.85 1.09 -0.32 3.11 5.85 -1.72 -0.56 115.31 123.63 3gxb h LEU 1580Ca 0.30 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3gxb h LEU 1580Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3gxb h LEU 1580CO -0.13 0.91 0.13 0.00 -0.34 0.00 0.00 178.44 179.01 3gxb h ALA 1581N 1.23 0.41 -0.59 1.25 0.00 -1.14 -1.31 119.26 119.11 3gxb h ALA 1581Ca 0.29 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3gxb h ALA 1581Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gxb h ALA 1581CO -0.04 0.00 0.06 -0.07 0.00 0.00 0.00 179.25 179.20 3gxb h LEU 1582N 0.36 0.93 -0.84 0.00 3.38 -1.07 -2.60 115.31 115.48 3gxb h LEU 1582Ca 0.11 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3gxb h LEU 1582Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3gxb h LEU 1582CO -0.01 0.95 0.42 -0.09 0.09 0.00 0.00 178.44 179.80 3gxb h ARG 1583N 0.91 1.20 -0.72 1.13 2.43 -0.96 -2.60 114.38 115.76 3gxb h ARG 1583Ca 0.18 -0.17 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 3gxb h ARG 1583Cb 0.45 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 3gxb h ARG 1583CO 0.02 0.91 0.43 -0.92 -1.51 0.00 0.00 179.97 178.90 3gxb h TYR 1584N 1.18 0.80 -0.80 2.20 3.20 -0.87 -0.75 116.97 121.94 3gxb h TYR 1584Ca 0.29 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.19 3gxb h TYR 1584Cb 0.09 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 3gxb h TYR 1584CO 0.01 0.42 0.53 -0.07 -1.64 0.00 0.00 178.16 177.41 3gxb h LEU 1585N 0.82 0.91 -0.03 2.82 3.38 -1.15 0.08 115.31 122.15 3gxb h LEU 1585Ca 0.31 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 3gxb h LEU 1585Cb 0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3gxb h LEU 1585CO -0.15 0.66 -0.90 0.77 0.09 0.00 0.00 178.44 178.91 3gxb h SER 1586N 1.08 0.00 0.52 -0.43 4.64 -1.19 -0.21 113.55 117.96 3gxb h SER 1586Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3gxb h SER 1586Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3gxb h SER 1586CO -0.07 0.90 -0.93 0.47 -0.87 0.00 0.00 176.83 176.33 3gxb n ASP 1587N -3.34 0.63 0.02 4.97 8.00 -0.31 -4.68 116.55 121.83 3gxb n ASP 1587Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.36 3gxb n ASP 1587Cb 0.89 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 42.65 3gxb n ASP 1587CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gxb n HIS 1588N -1.98 -0.36 0.03 1.24 8.25 0.00 -4.90 115.22 117.50 3gxb n HIS 1588Ca 0.02 0.06 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 3gxb n HIS 1588Cb 0.43 0.41 -0.04 0.00 1.12 0.00 0.00 29.99 31.92 3gxb n HIS 1588CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3gxb h SER 1589N 0.00 -0.55 -0.03 0.41 0.02 -1.40 -2.02 113.55 109.98 3gxb h SER 1589Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3gxb h SER 1589Cb 0.00 0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3gxb h SER 1589CO 0.00 -0.24 0.00 0.49 -1.14 0.00 0.00 176.83 175.94 3gxb n PHE 1590N -5.32 0.04 1.13 3.45 3.01 -0.10 -2.31 117.46 117.35 3gxb n PHE 1590Ca -0.04 -0.02 0.12 0.00 1.01 0.00 0.00 57.45 58.53 3gxb n PHE 1590Cb 0.24 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.90 3gxb n PHE 1590CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3gxb n LEU 1591N -0.55 2.30 -0.03 4.37 4.77 -0.76 -4.44 117.00 122.65 3gxb n LEU 1591Ca 0.10 -0.77 -0.13 0.00 -0.03 0.00 0.00 56.01 55.17 3gxb n LEU 1591Cb 0.07 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 3gxb n LEU 1591CO 0.07 0.39 0.59 0.58 -1.33 0.00 0.00 177.39 177.70 3gxb h VAL 1592N 3.42 1.40 -2.97 4.08 2.07 -1.52 -3.44 116.25 119.29 3gxb h VAL 1592Ca 0.00 -1.32 -0.52 0.00 0.82 0.00 0.00 66.70 65.68 3gxb h VAL 1592Cb 0.80 2.13 0.05 0.00 -1.52 0.00 0.00 31.29 32.75 3gxb h VAL 1592CO 0.00 0.36 0.88 -0.44 0.02 0.00 0.00 177.57 178.39 3gxb s SER 1593N -5.94 6.54 0.23 0.57 0.01 -1.26 -5.00 113.70 108.84 3gxb s SER 1593Ca -0.15 2.71 0.00 0.00 1.31 0.00 0.00 55.95 59.82 3gxb s SER 1593Cb 0.03 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3gxb s SER 1593CO 0.71 -0.84 0.10 -1.10 0.41 0.00 0.00 173.24 172.53 3gxb s GLN 1594N 0.65 1.29 7.55 12.44 -1.52 -1.26 -4.44 119.66 134.38 3gxb s GLN 1594Ca 0.68 -1.68 0.00 0.00 -1.95 0.00 0.00 55.36 52.40 3gxb s GLN 1594Cb -0.45 -0.03 0.00 0.00 -0.22 0.00 0.00 33.01 32.31 3gxb s GLN 1594CO 0.36 -0.32 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 3gxb n GLY 1595N -0.36 2.90 0.18 3.09 0.00 -1.26 -2.52 105.19 107.23 3gxb n GLY 1595Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 46.02 45.82 3gxb n GLY 1595CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3gxb h ASP 1596N 0.00 0.00 1.07 1.61 2.03 -2.04 -2.95 116.42 116.14 3gxb h ASP 1596Ca 0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3gxb h ASP 1596Cb 0.00 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3gxb h ASP 1596CO 0.00 0.39 0.00 -0.09 -1.03 0.00 0.00 179.24 178.51 3gxb h ARG 1597N 0.00 0.00 0.00 4.15 2.43 -1.86 -3.08 114.38 116.02 3gxb h ARG 1597Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3gxb h ARG 1597Cb 0.70 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3gxb h ARG 1597CO 0.05 0.00 -0.04 1.49 -1.51 0.00 0.00 179.97 179.96 3gxb h GLU 1598N 0.00 0.00 -0.01 0.20 4.81 -1.58 -2.18 114.58 115.82 3gxb h GLU 1598Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3gxb h GLU 1598Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3gxb h GLU 1598CO 0.00 0.04 -0.27 1.04 -0.73 0.00 0.00 179.01 179.08 3gxb n GLN 1599N -3.46 1.09 -2.19 1.92 1.13 -1.16 -4.94 117.38 109.77 3gxb n GLN 1599Ca -0.02 -0.74 -0.37 0.00 -1.94 0.00 0.00 57.00 53.93 3gxb n GLN 1599Cb 0.15 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.02 3gxb n GLN 1599CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3gxb s ALA 1600N -2.42 2.87 0.46 -1.58 0.00 -0.82 -4.97 121.76 115.30 3gxb s ALA 1600Ca 0.25 0.96 -0.24 0.00 0.00 0.00 0.00 51.96 52.92 3gxb s ALA 1600Cb 0.19 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3gxb s ALA 1600CO 0.50 -0.80 1.38 -2.14 0.00 0.00 0.00 175.76 174.70 3gxb s PRO 1601N -2.89 3.62 -0.19 0.00 0.02 -1.26 -4.79 135.00 129.51 3gxb s PRO 1601Ca 0.67 2.30 -0.03 0.00 0.02 0.00 0.00 61.00 63.96 3gxb s PRO 1601Cb -0.29 -2.57 -0.02 0.00 0.02 0.00 0.00 34.50 31.64 3gxb s PRO 1601CO 0.34 -0.83 -0.05 -0.80 -0.33 0.00 0.00 177.00 175.33 3gxb s ASN 1602N -0.69 4.40 0.02 2.53 0.01 -1.25 -1.56 114.94 118.40 3gxb s ASN 1602Ca 0.63 -0.30 0.07 0.00 -0.71 0.00 0.00 52.86 52.54 3gxb s ASN 1602Cb -0.41 -1.73 -0.02 0.00 0.41 0.00 0.00 41.25 39.50 3gxb s ASN 1602CO 0.52 0.07 -0.21 -0.76 -1.51 0.00 0.00 177.10 175.20 3gxb s LEU 1603N 0.97 2.13 -0.09 0.60 1.43 0.23 -1.14 118.68 122.81 3gxb s LEU 1603Ca -0.00 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3gxb s LEU 1603Cb -0.15 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.07 3gxb s LEU 1603CO 0.01 0.20 -0.12 -0.69 0.23 0.00 0.00 176.35 175.97 3gxb s VAL 1604N -0.70 1.21 -0.21 -1.59 1.01 0.11 -0.72 120.40 119.50 3gxb s VAL 1604Ca 0.08 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 3gxb s VAL 1604Cb -0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3gxb s VAL 1604CO 0.01 0.38 0.03 -0.31 0.00 0.00 0.00 175.10 175.21 3gxb s TYR 1605N 0.95 3.08 -0.18 5.22 2.02 0.03 0.46 117.35 128.93 3gxb s TYR 1605Ca -0.09 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.23 3gxb s TYR 1605Cb -0.15 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.29 3gxb s TYR 1605CO 0.00 -0.23 -0.16 1.41 -1.57 0.00 0.00 175.55 175.01 3gxb s MET 1606N 1.11 3.13 -0.41 -0.62 -2.45 -1.00 -0.97 119.30 118.09 3gxb s MET 1606Ca 0.03 -0.77 -0.16 0.00 -1.25 0.00 0.00 55.69 53.55 3gxb s MET 1606Cb -0.14 -2.67 0.02 0.00 1.25 0.00 0.00 34.83 33.29 3gxb s MET 1606CO 0.02 -0.14 0.34 0.08 1.05 0.00 0.00 175.02 176.37 3gxb s VAL 1607N 1.18 5.21 0.00 10.11 1.01 0.39 0.55 120.40 138.86 3gxb s VAL 1607Ca 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.46 3gxb s VAL 1607Cb -0.14 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3gxb s VAL 1607CO -0.07 -0.33 -0.08 0.28 0.00 0.00 0.00 175.10 174.90 3gxb s THR 1608N 1.81 0.60 -0.74 3.92 -1.32 -0.70 -1.44 115.64 117.78 3gxb s THR 1608Ca 0.07 -0.46 0.07 0.00 -1.21 0.00 0.00 61.69 60.16 3gxb s THR 1608Cb -0.18 -0.53 0.12 0.00 -1.51 0.00 0.00 72.50 70.39 3gxb s THR 1608CO 0.11 0.08 0.92 0.61 -2.21 0.00 0.00 174.62 174.13 3gxb n GLY 1609N 2.64 0.89 3.16 6.08 0.00 -1.26 -1.13 105.19 115.57 3gxb n GLY 1609Ca -0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3gxb n GLY 1609CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gxb s ASN 1610N -0.77 0.20 0.54 1.61 0.01 -1.26 -2.85 114.94 112.43 3gxb s ASN 1610Ca 0.11 -0.67 -0.21 0.00 -0.71 0.00 0.00 52.86 51.38 3gxb s ASN 1610Cb 0.07 0.28 -0.05 0.00 0.41 0.00 0.00 41.25 41.96 3gxb s ASN 1610CO 0.09 -0.63 1.25 -2.84 -1.51 0.00 0.00 177.10 173.46 3gxb s PRO 1611N -3.46 3.23 0.34 -0.60 0.02 -1.23 -4.51 135.00 128.80 3gxb s PRO 1611Ca 0.02 1.97 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 3gxb s PRO 1611Cb 0.04 -2.17 -0.11 0.00 0.02 0.00 0.00 34.50 32.28 3gxb s PRO 1611CO -0.09 -1.04 1.42 0.00 -0.33 0.00 0.00 177.00 176.97 3gxb s ALA 1612N -1.47 3.56 0.00 -1.55 0.00 -1.26 -4.72 121.76 116.32 3gxb s ALA 1612Ca 0.72 1.44 0.11 0.00 0.00 0.00 0.00 51.96 54.22 3gxb s ALA 1612Cb -0.34 -3.56 -0.11 0.00 0.00 0.00 0.00 23.12 19.11 3gxb s ALA 1612CO 0.39 -0.87 1.27 0.77 0.00 0.00 0.00 175.76 177.32 3gxb h SER 1613N 3.43 0.00 -0.45 0.00 0.02 -0.93 -3.48 113.55 112.14 3gxb h SER 1613Ca -0.49 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 59.85 3gxb h SER 1613Cb 1.23 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 3gxb h SER 1613CO 0.67 0.81 -0.34 1.51 -1.14 0.00 0.00 176.83 178.33 3gxb s ASP 1614N -6.54 4.51 0.27 3.07 1.47 -1.26 -5.01 116.67 113.19 3gxb s ASP 1614Ca 0.01 -1.36 -0.30 0.00 1.18 0.00 0.00 52.55 52.09 3gxb s ASP 1614Cb 0.09 0.50 -0.09 0.00 -0.34 0.00 0.00 42.92 43.08 3gxb s ASP 1614CO 0.79 -1.08 1.06 -1.61 0.68 0.00 0.00 175.17 175.02 3gxb s GLU 1615N -4.20 4.69 -0.19 2.11 2.02 -1.26 -4.70 118.70 117.16 3gxb s GLU 1615Ca 0.26 1.73 -0.03 0.00 0.02 0.00 0.00 54.97 56.96 3gxb s GLU 1615Cb -0.02 -3.21 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 3gxb s GLU 1615CO 0.17 0.28 -0.06 0.42 0.02 0.00 0.00 175.26 176.09 3gxb s ILE 1616N -1.17 3.44 -0.13 -1.63 1.01 -1.26 -4.19 121.20 117.27 3gxb s ILE 1616Ca 0.44 -0.49 -0.05 0.00 0.00 0.00 0.00 60.65 60.54 3gxb s ILE 1616Cb -0.31 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3gxb s ILE 1616CO 0.39 0.46 0.05 -0.54 0.00 0.00 0.00 174.94 175.30 3gxb s LYS 1617N 1.00 3.47 0.23 2.79 -0.14 -1.26 -5.07 119.74 120.77 3gxb s LYS 1617Ca 0.00 -0.33 -0.31 0.00 -1.36 0.00 0.00 55.97 53.98 3gxb s LYS 1617Cb -0.15 -3.04 -0.11 0.00 -1.68 0.00 0.00 37.83 32.86 3gxb s LYS 1617CO 0.00 0.55 1.54 1.03 -0.76 0.00 0.00 175.35 177.70 3gxb s ARG 1618N -0.41 4.21 0.69 1.68 0.52 -1.26 -4.94 118.95 119.43 3gxb s ARG 1618Ca 0.09 2.41 -0.14 0.00 -0.52 0.00 0.00 55.73 57.57 3gxb s ARG 1618Cb -0.12 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.27 3gxb s ARG 1618CO 0.02 -0.55 1.11 -0.51 0.02 0.00 0.00 175.30 175.39 3gxb s LEU 1619N 0.14 3.28 0.87 2.53 1.43 -1.26 -5.00 118.68 120.68 3gxb s LEU 1619Ca 0.64 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 55.57 3gxb s LEU 1619Cb -0.44 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.26 3gxb s LEU 1619CO 0.40 -1.77 0.55 -2.65 0.23 0.00 0.00 176.35 173.11 3gxb n PRO 1620N -2.74 -0.09 0.14 1.29 -0.02 -1.26 -4.86 135.00 127.45 3gxb n PRO 1620Ca 0.10 0.03 0.13 0.00 -2.02 0.00 0.00 63.50 61.73 3gxb n PRO 1620Cb 0.52 -1.93 0.64 0.00 -0.02 0.00 0.00 33.50 32.71 3gxb n PRO 1620CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gxb h GLY 1621N -1.19 0.05 1.07 -1.23 0.00 -2.02 -1.50 103.07 98.26 3gxb h GLY 1621Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3gxb h GLY 1621CO 0.38 0.01 0.00 2.09 0.00 0.00 0.00 176.54 179.02 3gxb n ASP 1622N -4.47 0.00 -4.16 0.19 5.75 -1.26 -4.47 116.55 108.12 3gxb n ASP 1622Ca 0.03 -0.79 -0.35 0.00 -0.01 0.00 0.00 54.79 53.66 3gxb n ASP 1622Cb 0.29 -0.03 -0.13 0.00 -1.03 0.00 0.00 41.12 40.22 3gxb n ASP 1622CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3gxb s ILE 1623N -2.07 3.00 -0.06 2.12 1.01 -0.56 -3.77 121.20 120.86 3gxb s ILE 1623Ca 0.41 -1.48 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 3gxb s ILE 1623Cb 0.19 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3gxb s ILE 1623CO 0.34 -0.18 0.62 -1.10 0.00 0.00 0.00 174.94 174.62 3gxb s GLN 1624N 1.23 4.39 -0.14 2.79 -0.21 -0.29 -4.74 119.66 122.69 3gxb s GLN 1624Ca -0.03 0.75 0.00 0.00 0.02 0.00 0.00 55.36 56.09 3gxb s GLN 1624Cb -0.20 -3.42 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 3gxb s GLN 1624CO -0.02 0.16 -0.14 0.08 -2.12 0.00 0.00 175.29 173.25 3gxb s VAL 1625N 0.53 2.88 -0.43 1.09 1.01 -1.26 0.05 120.40 124.27 3gxb s VAL 1625Ca 0.33 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 3gxb s VAL 1625Cb -0.17 -2.21 0.11 0.00 0.00 0.00 0.00 36.38 34.11 3gxb s VAL 1625CO 0.16 0.52 0.23 -0.69 0.00 0.00 0.00 175.10 175.32 3gxb s VAL 1626N 0.53 3.35 0.19 2.92 1.01 0.17 -4.45 120.40 124.13 3gxb s VAL 1626Ca -0.09 -2.11 -0.30 0.00 0.00 0.00 0.00 61.98 59.47 3gxb s VAL 1626Cb -0.16 -3.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 3gxb s VAL 1626CO 0.04 -0.71 1.24 -2.84 0.00 0.00 0.00 175.10 172.83 3gxb s PRO 1627N 1.06 4.45 -0.40 2.72 0.02 -1.26 -2.38 135.00 139.21 3gxb s PRO 1627Ca 0.09 1.95 -0.02 0.00 0.02 0.00 0.00 61.00 63.04 3gxb s PRO 1627Cb -0.23 -3.22 0.11 0.00 0.02 0.00 0.00 34.50 31.18 3gxb s PRO 1627CO -0.04 -0.16 0.19 0.42 -0.33 0.00 0.00 177.00 177.08 3gxb s ILE 1628N 0.03 3.16 -0.34 2.83 1.01 0.19 -0.33 121.20 127.75 3gxb s ILE 1628Ca 0.54 -2.11 -0.22 0.00 0.00 0.00 0.00 60.65 58.86 3gxb s ILE 1628Cb -0.34 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3gxb s ILE 1628CO 0.37 -0.68 0.69 -0.83 0.00 0.00 0.00 174.94 174.49 3gxb s GLY 1629N 1.68 1.72 -0.20 6.18 0.00 -0.14 -1.72 107.32 114.85 3gxb s GLY 1629Ca 0.09 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.05 3gxb s GLY 1629CO -0.05 1.59 0.01 0.14 0.00 0.00 0.00 173.10 174.79 3gxb s VAL 1630N 2.83 4.04 0.00 1.40 1.01 -0.28 -1.14 120.40 128.25 3gxb s VAL 1630Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3gxb s VAL 1630Cb -0.14 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3gxb s VAL 1630CO 0.14 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3gxb n GLY 1631N 4.19 -0.97 0.03 4.51 0.00 -0.01 -4.31 105.19 108.63 3gxb n GLY 1631Ca -0.17 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.33 3gxb n GLY 1631CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gxb n PRO 1632N -0.89 0.06 0.00 1.61 -0.05 -1.26 -3.27 135.00 131.20 3gxb n PRO 1632Ca 0.00 0.09 0.13 0.00 -0.05 0.00 0.00 63.50 63.67 3gxb n PRO 1632Cb 0.00 -1.58 0.23 0.00 -0.05 0.00 0.00 33.50 32.10 3gxb n PRO 1632CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3gxb n ASN 1633N -1.69 2.44 -4.73 3.54 3.02 -1.26 -4.93 115.26 111.66 3gxb n ASN 1633Ca 0.06 -1.80 -0.42 0.00 -0.03 0.00 0.00 54.58 52.40 3gxb n ASN 1633Cb 0.33 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 3gxb n ASN 1633CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gxb s ALA 1634N -2.04 3.72 -0.80 5.41 0.00 -1.13 -3.47 121.76 123.46 3gxb s ALA 1634Ca 0.30 1.36 -0.23 0.00 0.00 0.00 0.00 51.96 53.39 3gxb s ALA 1634Cb 0.20 -3.60 0.06 0.00 0.00 0.00 0.00 23.12 19.79 3gxb s ALA 1634CO 0.33 -0.77 1.18 1.21 0.00 0.00 0.00 175.76 177.71 3gxb s ASN 1635N 0.84 6.30 0.18 0.00 3.84 -1.26 -4.91 114.94 119.93 3gxb s ASN 1635Ca 0.66 -1.07 -0.13 0.00 0.21 0.00 0.00 52.86 52.53 3gxb s ASN 1635Cb -0.43 -2.49 0.11 0.00 -0.55 0.00 0.00 41.25 37.89 3gxb s ASN 1635CO 0.36 -1.53 1.82 0.58 -2.79 0.00 0.00 177.10 175.55 3gxb h VAL 1636N 6.13 1.07 -0.52 -5.21 2.07 -1.98 -1.65 116.25 116.16 3gxb h VAL 1636Ca -0.12 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3gxb h VAL 1636Cb 1.05 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3gxb h VAL 1636CO 1.25 0.12 0.23 1.56 0.02 0.00 0.00 177.57 180.76 3gxb h GLN 1637N 0.66 0.44 -0.36 1.57 4.20 -1.99 0.45 115.11 120.08 3gxb h GLN 1637Ca 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3gxb h GLN 1637Cb 0.01 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3gxb h GLN 1637CO -0.09 0.29 0.20 1.49 -0.67 0.00 0.00 178.83 180.06 3gxb h GLU 1638N 0.45 0.50 -0.36 1.46 4.81 -1.87 -1.74 114.58 117.83 3gxb h GLU 1638Ca 0.24 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3gxb h GLU 1638Cb 0.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3gxb h GLU 1638CO -0.20 0.41 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.28 3gxb h LEU 1639N 0.46 0.65 -0.53 1.64 3.38 -0.87 -1.03 115.31 119.01 3gxb h LEU 1639Ca 0.13 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3gxb h LEU 1639Cb 0.05 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3gxb h LEU 1639CO -0.02 0.81 0.27 -0.33 0.09 0.00 0.00 178.44 179.26 3gxb h GLU 1640N 0.59 0.76 -0.47 1.13 5.08 -0.71 0.32 114.58 121.29 3gxb h GLU 1640Ca 0.10 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3gxb h GLU 1640Cb 0.59 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3gxb h GLU 1640CO 0.04 0.61 0.13 -0.09 -1.00 0.00 0.00 179.01 178.70 3gxb h ARG 1641N 0.71 0.74 -0.40 2.33 2.43 -0.94 -1.98 114.38 117.28 3gxb h ARG 1641Ca 0.18 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3gxb h ARG 1641Cb 0.10 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3gxb h ARG 1641CO -0.03 0.72 0.06 0.82 -1.51 0.00 0.00 179.97 180.03 3gxb h ILE 1642N 0.63 1.24 0.03 1.20 2.04 -1.09 -3.34 117.51 118.23 3gxb h ILE 1642Ca 0.15 -0.89 -0.22 0.00 1.00 0.00 0.00 64.86 64.90 3gxb h ILE 1642Cb 0.29 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3gxb h ILE 1642CO -0.00 0.30 -1.03 1.23 0.00 0.00 0.00 178.15 178.65 3gxb h GLY 1643N 0.51 0.12 -5.83 5.37 0.00 -0.81 -3.44 103.07 99.00 3gxb h GLY 1643Ca 0.12 -0.27 -0.75 0.00 0.00 0.00 0.00 47.33 46.43 3gxb h GLY 1643CO 0.01 0.24 0.23 1.87 0.00 0.00 0.00 176.54 178.88 3gxb n TRP 1644N -3.47 1.00 1.80 5.60 -0.00 -0.76 -0.45 117.44 121.16 3gxb n TRP 1644Ca -0.03 0.90 0.13 0.00 -0.00 0.00 0.00 57.50 58.51 3gxb n TRP 1644Cb 0.93 -2.19 0.70 0.00 -0.00 0.00 0.00 31.31 30.75 3gxb n TRP 1644CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3gxb n PRO 1645N 1.97 1.24 -2.70 5.87 -0.04 -1.26 -4.93 135.00 135.14 3gxb n PRO 1645Ca 0.20 -0.35 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 3gxb n PRO 1645Cb 0.12 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 3gxb n PRO 1645CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3gxb s ASN 1646N -1.85 7.35 0.35 3.54 0.01 0.40 -5.03 114.94 119.70 3gxb s ASN 1646Ca 0.39 1.64 -0.27 0.00 -0.71 0.00 0.00 52.86 53.91 3gxb s ASN 1646Cb 0.19 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 39.19 3gxb s ASN 1646CO 0.31 -0.30 1.23 0.00 -1.51 0.00 0.00 177.10 176.84 3gxb s ALA 1647N 1.19 3.35 0.53 0.60 0.00 -1.26 -4.45 121.76 121.71 3gxb s ALA 1647Ca 0.51 1.11 -0.21 0.00 0.00 0.00 0.00 51.96 53.37 3gxb s ALA 1647Cb -0.21 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 3gxb s ALA 1647CO 0.26 -0.55 1.22 -2.14 0.00 0.00 0.00 175.76 174.55 3gxb s PRO 1648N -1.94 3.31 -0.37 0.00 0.02 -1.26 -4.70 135.00 130.06 3gxb s PRO 1648Ca 0.52 1.88 -0.16 0.00 0.02 0.00 0.00 61.00 63.26 3gxb s PRO 1648Cb -0.35 -2.17 0.00 0.00 0.02 0.00 0.00 34.50 31.99 3gxb s PRO 1648CO 0.46 -0.95 0.39 0.42 -0.33 0.00 0.00 177.00 177.00 3gxb s ILE 1649N -1.53 5.14 -0.38 2.83 1.01 0.55 -4.98 121.20 123.83 3gxb s ILE 1649Ca 0.71 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 61.15 3gxb s ILE 1649Cb -0.31 -3.91 0.03 0.00 0.01 0.00 0.00 42.46 38.28 3gxb s ILE 1649CO 0.36 -0.22 0.23 -0.76 0.00 0.00 0.00 174.94 174.55 3gxb s LEU 1650N 2.07 4.82 -0.13 2.97 1.43 -1.26 -0.97 118.68 127.61 3gxb s LEU 1650Ca 0.12 -1.02 -0.05 0.00 -1.03 0.00 0.00 54.13 52.15 3gxb s LEU 1650Cb -0.17 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3gxb s LEU 1650CO 0.12 -0.41 0.05 -0.63 0.23 0.00 0.00 176.35 175.71 3gxb s ILE 1651N 1.57 4.69 0.18 -0.59 -1.09 -0.29 -5.00 121.20 120.67 3gxb s ILE 1651Ca 0.02 -0.09 -0.25 0.00 -2.23 0.00 0.00 60.65 58.10 3gxb s ILE 1651Cb -0.19 -3.04 0.06 0.00 -1.58 0.00 0.00 42.46 37.70 3gxb s ILE 1651CO 0.07 0.55 1.55 -0.61 -1.23 0.00 0.00 174.94 175.27 3gxb h GLN 1652N 5.75 -0.08 -2.69 2.79 4.15 -1.94 0.02 115.11 123.11 3gxb h GLN 1652Ca -0.46 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.08 3gxb h GLN 1652Cb 1.19 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 3gxb h GLN 1652CO 0.61 -0.06 0.38 0.16 -1.93 0.00 0.00 178.83 178.00 3gxb s ASP 1653N -5.33 -0.15 0.28 -0.69 1.47 -1.26 -3.22 116.67 107.77 3gxb s ASP 1653Ca -0.13 -0.63 0.04 0.00 1.18 0.00 0.00 52.55 53.00 3gxb s ASP 1653Cb 0.15 0.63 0.41 0.00 -0.34 0.00 0.00 42.92 43.77 3gxb s ASP 1653CO 0.66 -1.20 1.69 -0.26 0.68 0.00 0.00 175.17 176.75 3gxb h PHE 1654N 2.00 0.41 -0.91 2.11 -1.00 -1.90 -2.40 116.94 115.25 3gxb h PHE 1654Ca -0.24 -0.10 0.13 0.00 2.81 0.00 0.00 57.97 60.56 3gxb h PHE 1654Cb 1.24 -0.09 -0.09 0.00 3.61 0.00 0.00 35.95 40.62 3gxb h PHE 1654CO 0.69 0.68 0.52 1.49 -1.61 0.00 0.00 178.31 180.08 3gxb h GLU 1655N 0.30 0.77 0.00 1.51 4.81 -1.96 -2.48 114.58 117.54 3gxb h GLU 1655Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3gxb h GLU 1655Cb 0.79 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3gxb h GLU 1655CO 0.06 0.51 -0.64 0.25 -0.73 0.00 0.00 179.01 178.46 3gxb n THR 1656N -4.75 0.31 -0.24 0.32 -2.24 -1.09 -4.44 114.28 102.15 3gxb n THR 1656Ca 0.17 -0.25 0.05 0.00 -2.27 0.00 0.00 64.05 61.75 3gxb n THR 1656Cb 0.39 -0.08 0.16 0.00 -2.10 0.00 0.00 70.33 68.69 3gxb n THR 1656CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3gxb h LEU 1657N 0.00 -0.19 -0.05 3.22 5.85 -0.94 -1.10 115.31 122.11 3gxb h LEU 1657Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gxb h LEU 1657Cb 0.72 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3gxb h LEU 1657CO 0.00 -0.11 0.00 -2.65 -0.34 0.00 0.00 178.44 175.34 3gxb n PRO 1658N -5.26 0.02 0.11 5.25 -0.02 -1.26 -3.31 135.00 130.52 3gxb n PRO 1658Ca 0.13 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 3gxb n PRO 1658Cb 0.45 -1.53 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 3gxb n PRO 1658CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gxb h ARG 1659N 0.00 -0.33 0.00 -0.52 2.47 -1.49 -3.42 114.38 111.09 3gxb h ARG 1659Ca 0.00 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3gxb h ARG 1659Cb 0.34 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3gxb h ARG 1659CO 0.00 0.01 -0.95 0.39 0.56 0.00 0.00 179.97 179.98 3gxb n GLU 1660N -5.01 3.36 -0.20 0.04 1.02 -1.26 -4.77 120.64 113.82 3gxb n GLU 1660Ca -0.08 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.20 3gxb n GLU 1660Cb 0.25 -0.97 0.45 0.00 -0.02 0.00 0.00 31.44 31.14 3gxb n GLU 1660CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gxb h ALA 1661N 0.00 1.99 -0.94 0.62 0.00 -1.82 -1.66 119.26 117.44 3gxb h ALA 1661Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3gxb h ALA 1661Cb 0.83 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3gxb h ALA 1661CO 0.00 -0.19 0.61 -1.35 0.00 0.00 0.00 179.25 178.31 3gxb h PRO 1662N 0.53 0.97 -0.41 0.00 0.11 -1.81 -0.95 132.00 130.44 3gxb h PRO 1662Ca 0.39 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.32 3gxb h PRO 1662Cb 0.75 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 3gxb h PRO 1662CO -0.14 0.64 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.61 3gxb h ASP 1663N 1.00 0.86 -0.74 -2.05 3.32 -1.64 -0.71 116.42 116.46 3gxb h ASP 1663Ca 0.43 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3gxb h ASP 1663Cb 0.33 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3gxb h ASP 1663CO -0.19 1.06 0.44 -0.07 -1.72 0.00 0.00 179.24 178.76 3gxb h LEU 1664N 0.73 0.90 0.05 1.55 3.38 -1.25 -0.58 115.31 120.08 3gxb h LEU 1664Ca 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gxb h LEU 1664Cb 0.77 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3gxb h LEU 1664CO 0.06 0.70 -0.02 0.58 0.09 0.00 0.00 178.44 179.85 3gxb h VAL 1665N 1.01 1.08 -0.03 1.22 2.07 -0.99 -2.23 116.25 118.38 3gxb h VAL 1665Ca 0.27 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3gxb h VAL 1665Cb -0.02 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3gxb h VAL 1665CO -0.05 0.10 -0.18 -0.07 0.02 0.00 0.00 177.57 177.39 3gxb h LEU 1666N -0.23 0.04 -0.56 2.57 3.38 -0.99 -1.43 115.31 118.09 3gxb h LEU 1666Ca -0.01 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 3gxb h LEU 1666Cb 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3gxb h LEU 1666CO 0.01 0.23 -0.52 1.56 0.09 0.00 0.00 178.44 179.81 3gxb h GLN 1667N 0.05 0.55 -0.22 1.13 4.20 -1.01 -0.48 115.11 119.34 3gxb h GLN 1667Ca 0.01 -0.33 -0.13 0.00 0.06 0.00 0.00 58.65 58.26 3gxb h GLN 1667Cb 0.35 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 3gxb h GLN 1667CO 0.02 0.93 -0.37 0.00 -0.67 0.00 0.00 178.83 178.75 3gxb h ARG 1668N 0.43 0.63 0.11 1.46 2.47 -0.75 -3.32 114.38 115.42 3gxb h ARG 1668Ca 0.02 -0.39 -0.29 0.00 -1.26 0.00 0.00 59.98 58.05 3gxb h ARG 1668Cb 1.05 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 3gxb h ARG 1668CO 0.10 1.00 -1.51 0.00 0.56 0.00 0.00 179.97 180.12 3gxb s SER 1671N -1.28 7.24 0.00 0.00 0.15 -1.10 -4.93 113.70 113.78 3gxb s SER 1671Ca 0.08 1.78 0.00 0.00 0.70 0.00 0.00 55.95 58.50 3gxb s SER 1671Cb 0.07 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 3gxb s SER 1671CO 0.01 -0.12 0.00 -2.65 1.20 0.00 0.00 173.24 171.68