#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmh h THR 1514N 0.00 0.86 -0.21 2.61 1.03 -2.02 -2.73 112.91 112.45 3hmh h THR 1514Ca 0.00 -0.19 -0.16 0.00 -0.01 0.00 0.00 66.41 66.05 3hmh h THR 1514Cb 0.00 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.34 3hmh h THR 1514CO 0.00 0.10 -0.53 -0.33 -0.01 0.00 0.00 175.52 174.75 3hmh h GLU 1515N 0.55 0.61 -0.29 0.00 4.39 -1.95 -1.93 114.58 115.95 3hmh h GLU 1515Ca 0.31 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3hmh h GLU 1515Cb 0.31 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3hmh h GLU 1515CO -0.25 0.99 -0.08 -0.97 -1.16 0.00 0.00 179.01 177.54 3hmh h ASN 1516N 0.47 0.58 -0.33 1.42 -0.00 -1.85 -0.75 115.58 115.12 3hmh h ASN 1516Ca 0.01 -0.37 -0.03 0.00 -0.00 0.00 0.00 56.30 55.91 3hmh h ASN 1516Cb 1.08 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 39.23 3hmh h ASN 1516CO 0.10 0.82 0.08 0.25 -0.00 0.00 0.00 177.43 178.68 3hmh h LEU 1517N 0.34 0.50 -0.79 0.34 5.85 -1.38 -0.31 115.31 119.85 3hmh h LEU 1517Ca 0.07 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3hmh h LEU 1517Cb 0.57 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3hmh h LEU 1517CO 0.03 0.61 0.48 0.22 -0.34 0.00 0.00 178.44 179.44 3hmh h TYR 1518N 0.37 1.04 -0.54 1.25 3.20 -1.35 0.42 116.97 121.37 3hmh h TYR 1518Ca 0.10 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.05 3hmh h TYR 1518Cb 0.31 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 3hmh h TYR 1518CO 0.02 0.70 0.20 0.35 -1.64 0.00 0.00 178.16 177.78 3hmh h PHE 1519N 1.09 0.35 -0.64 -3.82 3.57 -0.69 -1.94 116.94 114.85 3hmh h PHE 1519Ca 0.29 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.77 3hmh h PHE 1519Cb -0.05 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3hmh h PHE 1519CO -0.01 0.11 0.24 1.96 -2.23 0.00 0.00 178.31 178.38 3hmh h GLN 1520N 0.38 0.97 -0.77 1.11 4.20 -0.32 -2.23 115.11 118.45 3hmh h GLN 1520Ca 0.26 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hmh h GLN 1520Cb 0.29 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3hmh h GLN 1520CO -0.26 0.83 0.47 0.66 -0.67 0.00 0.00 178.83 179.85 3hmh h SER 1521N 0.91 0.92 -0.18 1.46 4.64 -0.49 0.32 113.55 121.12 3hmh h SER 1521Ca 0.21 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 3hmh h SER 1521Cb 0.23 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3hmh h SER 1521CO -0.01 0.70 -0.40 0.24 -0.87 0.00 0.00 176.83 176.49 3hmh h MET 1522N 1.06 0.72 -0.57 4.77 2.86 -1.12 -1.49 114.93 121.16 3hmh h MET 1522Ca 0.28 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3hmh h MET 1522Cb -0.05 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3hmh h MET 1522CO -0.05 0.99 0.07 1.96 1.06 0.00 0.00 176.91 180.94 3hmh h GLN 1523N 0.59 0.93 -0.69 1.72 4.20 -0.69 -1.76 115.11 119.41 3hmh h GLN 1523Ca 0.05 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3hmh h GLN 1523Cb 0.94 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 3hmh h GLN 1523CO 0.09 0.88 0.38 0.28 -0.67 0.00 0.00 178.83 179.78 3hmh h VAL 1524N 0.87 1.21 -0.71 -0.54 2.07 -0.12 -0.00 116.25 119.04 3hmh h VAL 1524Ca 0.17 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3hmh h VAL 1524Cb 0.42 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3hmh h VAL 1524CO 0.01 0.24 0.22 0.00 0.02 0.00 0.00 177.57 178.05 3hmh h ALA 1525N 1.19 0.93 -0.27 1.67 0.00 -1.04 -1.18 119.26 120.56 3hmh h ALA 1525Ca 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3hmh h ALA 1525Cb 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hmh h ALA 1525CO -0.04 0.61 -0.07 0.35 0.00 0.00 0.00 179.25 180.10 3hmh h PHE 1526N 1.04 0.59 -0.97 0.00 3.57 -0.99 -2.58 116.94 117.60 3hmh h PHE 1526Ca 0.23 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.63 3hmh h PHE 1526Cb 0.31 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3hmh h PHE 1526CO 0.02 0.74 0.64 0.77 -2.23 0.00 0.00 178.31 178.25 3hmh h SER 1527N 0.27 1.07 -0.88 0.41 0.02 -0.91 -1.43 113.55 112.10 3hmh h SER 1527Ca 0.07 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3hmh h SER 1527Cb 0.55 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 3hmh h SER 1527CO 0.03 0.75 0.55 0.15 -1.14 0.00 0.00 176.83 177.17 3hmh h PHE 1528N 1.25 1.02 -0.10 3.45 3.57 -0.90 -0.06 116.94 125.18 3hmh h PHE 1528Ca 0.38 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.86 3hmh h PHE 1528Cb -0.05 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.36 3hmh h PHE 1528CO -0.01 0.53 -0.11 0.82 -2.23 0.00 0.00 178.31 177.32 3hmh h ILE 1529N 1.02 1.37 -0.75 1.41 2.04 -1.03 -2.38 117.51 119.19 3hmh h ILE 1529Ca 0.38 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 3hmh h ILE 1529Cb 0.14 2.01 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3hmh h ILE 1529CO -0.16 0.37 0.43 -0.07 0.00 0.00 0.00 178.15 178.72 3hmh h LEU 1530N -0.17 0.92 -1.10 1.44 3.38 -1.11 -2.00 115.31 116.67 3hmh h LEU 1530Ca 0.01 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hmh h LEU 1530Cb 0.65 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3hmh h LEU 1530CO 0.03 0.74 0.05 -0.78 0.09 0.00 0.00 178.44 178.57 3hmh h ASP 1531N 1.03 0.64 -0.47 -0.43 3.58 -1.02 -1.89 116.42 117.86 3hmh h ASP 1531Ca 0.27 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3hmh h ASP 1531Cb 0.00 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.85 3hmh h ASP 1531CO -0.05 0.68 0.29 -1.13 -2.88 0.00 0.00 179.24 176.16 3hmh h ASN 1532N 0.66 0.49 -0.74 2.28 -1.24 -0.82 -0.87 115.58 115.33 3hmh h ASN 1532Ca 0.14 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 3hmh h ASN 1532Cb 0.33 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 3hmh h ASN 1532CO 0.01 0.35 0.38 0.40 -1.29 0.00 0.00 177.43 177.28 3hmh h ILE 1533N 0.59 1.23 -0.10 2.57 2.04 -1.07 0.13 117.51 122.90 3hmh h ILE 1533Ca 0.18 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 3hmh h ILE 1533Cb -0.02 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3hmh h ILE 1533CO -0.07 0.27 0.03 0.58 0.00 0.00 0.00 178.15 178.96 3hmh h VAL 1534N 1.03 1.18 0.09 1.67 2.07 -1.11 -2.21 116.25 118.98 3hmh h VAL 1534Ca 0.26 -0.54 -0.28 0.00 0.82 0.00 0.00 66.70 66.96 3hmh h VAL 1534Cb 0.08 1.34 0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3hmh h VAL 1534CO -0.04 0.16 -1.18 0.71 0.02 0.00 0.00 177.57 177.24 3hmh h THR 1535N -0.02 1.34 0.00 2.57 1.35 -1.01 -0.18 112.91 116.96 3hmh h THR 1535Ca 0.03 -2.55 -0.20 0.00 -0.55 0.00 0.00 66.41 63.14 3hmh h THR 1535Cb 0.22 2.67 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 3hmh h THR 1535CO -0.00 0.77 -1.48 0.00 -0.25 0.00 0.00 175.52 174.56 3hmh n GLN 1536N -3.74 0.62 -0.01 4.72 1.13 0.43 -4.15 117.38 116.38 3hmh n GLN 1536Ca -0.11 0.24 -0.03 0.00 -1.94 0.00 0.00 57.00 55.16 3hmh n GLN 1536Cb 0.96 -1.81 -0.01 0.00 0.11 0.00 0.00 30.24 29.49 3hmh n GLN 1536CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3hmh n LYS 1537N -2.93 0.19 -0.02 -1.09 4.76 -0.94 -4.50 118.16 113.64 3hmh n LYS 1537Ca -0.11 0.08 -0.13 0.00 -2.87 0.00 0.00 58.31 55.28 3hmh n LYS 1537Cb 0.89 -0.76 -0.09 0.00 -1.84 0.00 0.00 35.03 33.23 3hmh n LYS 1537CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 3hmh h MET 1538N -0.36 0.08 0.00 1.97 2.86 -1.25 -2.92 114.93 115.31 3hmh h MET 1538Ca 0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3hmh h MET 1538Cb 0.36 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3hmh h MET 1538CO 0.00 0.46 -0.13 0.52 1.06 0.00 0.00 176.91 178.81 3hmh h MET 1539N -0.30 0.00 0.00 1.72 2.86 -1.22 -2.45 114.93 115.55 3hmh h MET 1539Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hmh h MET 1539Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3hmh h MET 1539CO 0.01 0.13 0.00 0.00 1.06 0.00 0.00 176.91 178.11 3hmh n ALA 1540N -2.27 2.52 -1.86 6.32 0.00 -1.11 -4.84 120.51 119.27 3hmh n ALA 1540Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3hmh n ALA 1540Cb 0.27 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 3hmh n ALA 1540CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hmh s VAL 1541N -2.44 2.67 0.34 0.00 1.01 -0.92 -4.93 120.40 116.12 3hmh s VAL 1541Ca 0.33 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.34 3hmh s VAL 1541Cb 0.20 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 33.26 3hmh s VAL 1541CO 0.44 0.01 1.32 -2.65 0.00 0.00 0.00 175.10 174.22 3hmh n PRO 1542N 4.93 2.19 -2.33 2.72 -0.02 -1.26 -1.81 135.00 139.42 3hmh n PRO 1542Ca 0.16 0.77 -0.17 0.00 -2.02 0.00 0.00 63.50 62.23 3hmh n PRO 1542Cb 0.39 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3hmh n PRO 1542CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3hmh n ASP 1543N 0.85 -5.08 -0.05 2.55 9.92 -1.26 -4.88 116.55 118.60 3hmh n ASP 1543Ca 0.05 0.10 0.14 0.00 -0.53 0.00 0.00 54.79 54.55 3hmh n ASP 1543Cb 0.36 -4.28 0.65 0.00 -0.64 0.00 0.00 41.12 37.21 3hmh n ASP 1543CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3hmh n SER 1544N -1.85 0.24 -0.02 -2.24 3.41 -0.75 -4.44 113.62 107.98 3hmh n SER 1544Ca -0.21 -0.29 0.19 0.00 -0.26 0.00 0.00 58.87 58.31 3hmh n SER 1544Cb 0.65 -0.18 0.66 0.00 -0.26 0.00 0.00 64.21 65.08 3hmh n SER 1544CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3hmh h TRP 1545N 0.26 0.08 0.00 7.33 5.08 -1.90 0.20 115.95 127.00 3hmh h TRP 1545Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hmh h TRP 1545Cb 0.35 -0.03 0.00 0.00 -3.00 0.00 0.00 29.16 26.48 3hmh h TRP 1545CO 0.00 0.03 0.00 -1.35 -1.28 0.00 0.00 178.44 175.84 3hmh h PRO 1546N 0.07 0.00 -0.42 0.12 0.11 -1.97 -2.60 132.00 127.32 3hmh h PRO 1546Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3hmh h PRO 1546Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3hmh h PRO 1546CO -0.02 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.96 3hmh n PHE 1547N -3.07 0.55 0.07 0.65 3.72 0.70 -4.46 117.46 115.62 3hmh n PHE 1547Ca -0.02 -0.27 -0.11 0.00 -0.05 0.00 0.00 57.45 56.99 3hmh n PHE 1547Cb 0.12 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.53 3hmh n PHE 1547CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hmh h HIS 1548N 4.34 0.21 -3.40 1.38 3.86 -1.51 0.45 115.15 120.47 3hmh h HIS 1548Ca 0.00 -0.15 -0.40 0.00 -1.16 0.00 0.00 60.37 58.66 3hmh h HIS 1548Cb 0.96 -0.01 -0.17 0.00 1.06 0.00 0.00 27.41 29.26 3hmh h HIS 1548CO 0.27 1.13 -0.74 -1.01 0.86 0.00 0.00 177.93 178.44 3hmh s HIS 1549N -2.68 1.42 0.52 2.45 3.76 -1.26 -1.46 115.29 118.04 3hmh s HIS 1549Ca -0.02 -0.61 -0.22 0.00 -0.15 0.00 0.00 55.06 54.06 3hmh s HIS 1549Cb 0.09 -0.72 -0.05 0.00 1.11 0.00 0.00 32.58 33.00 3hmh s HIS 1549CO 0.85 0.17 1.31 -1.25 -0.85 0.00 0.00 174.74 174.97 3hmh s PRO 1550N -3.12 3.30 0.22 8.40 0.04 -1.26 -4.85 135.00 137.72 3hmh s PRO 1550Ca 0.13 2.12 -0.31 0.00 0.04 0.00 0.00 61.00 62.99 3hmh s PRO 1550Cb -0.02 -2.30 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 3hmh s PRO 1550CO 0.03 -1.03 1.58 0.08 0.04 0.00 0.00 177.00 177.70 3hmh s VAL 1551N -1.36 2.40 -0.28 -0.36 1.01 -1.26 -4.93 120.40 115.62 3hmh s VAL 1551Ca 0.69 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.69 3hmh s VAL 1551Cb -0.37 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 3hmh s VAL 1551CO 0.45 0.03 1.56 0.21 0.00 0.00 0.00 175.10 177.35 3hmh s ASN 1552N 0.86 6.35 0.32 3.32 3.84 -1.26 -4.90 114.94 123.47 3hmh s ASN 1552Ca 0.67 1.39 0.03 0.00 0.21 0.00 0.00 52.86 55.16 3hmh s ASN 1552Cb -0.45 -2.53 0.54 0.00 -0.55 0.00 0.00 41.25 38.26 3hmh s ASN 1552CO 0.37 -1.32 1.85 0.50 -2.79 0.00 0.00 177.10 175.71 3hmh h LYS 1553N 10.80 0.59 0.00 0.43 3.64 -1.92 -1.36 116.57 128.76 3hmh h LYS 1553Ca -0.31 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 58.88 3hmh h LYS 1553Cb 1.14 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3hmh h LYS 1553CO 1.02 0.61 -0.28 0.87 -2.27 0.00 0.00 179.45 179.40 3hmh h LYS 1554N 0.57 0.00 0.06 1.90 1.79 -1.97 -1.52 116.57 117.39 3hmh h LYS 1554Ca 0.12 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.40 3hmh h LYS 1554Cb 0.34 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.01 3hmh h LYS 1554CO 0.01 0.28 -0.80 0.35 -1.08 0.00 0.00 179.45 178.21 3hmh h PHE 1555N 0.00 0.69 -2.07 -1.35 3.57 -1.79 -3.40 116.94 112.59 3hmh h PHE 1555Ca -0.00 -0.42 -0.57 0.00 3.53 0.00 0.00 57.97 60.51 3hmh h PHE 1555Cb 0.90 -0.06 -0.40 0.00 2.79 0.00 0.00 35.95 39.18 3hmh h PHE 1555CO 0.00 1.26 -0.93 0.28 -2.23 0.00 0.00 178.31 176.70 3hmh n VAL 1556N -4.10 0.40 -0.30 1.41 0.31 -0.58 -4.96 118.33 110.52 3hmh n VAL 1556Ca -0.12 -4.45 0.10 0.00 -0.01 0.00 0.00 64.34 59.86 3hmh n VAL 1556Cb 0.78 -1.99 0.32 0.00 -0.91 0.00 0.00 33.84 32.05 3hmh n VAL 1556CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3hmh h PRO 1557N 4.04 0.79 -0.79 5.55 0.13 -1.51 -0.52 132.00 139.70 3hmh h PRO 1557Ca 0.12 -0.05 0.22 0.00 -0.87 0.00 0.00 66.00 65.42 3hmh h PRO 1557Cb 0.80 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.72 3hmh h PRO 1557CO 0.60 0.52 0.57 0.22 -0.23 0.00 0.00 178.00 179.67 3hmh h ASP 1558N 0.81 0.03 -0.31 1.44 3.58 -1.93 -1.94 116.42 118.11 3hmh h ASP 1558Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 3hmh h ASP 1558Cb 0.60 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 3hmh h ASP 1558CO -0.22 0.01 0.20 0.22 -2.88 0.00 0.00 179.24 176.57 3hmh h TYR 1559N 0.03 0.40 0.00 0.28 3.20 -1.46 -2.07 116.97 117.35 3hmh h TYR 1559Ca 0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.25 3hmh h TYR 1559Cb 1.47 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.60 3hmh h TYR 1559CO -0.00 0.27 0.00 1.88 -1.64 0.00 0.00 178.16 178.67 3hmh h TYR 1560N 0.41 0.00 0.02 -3.82 -1.99 -1.46 0.11 116.97 110.24 3hmh h TYR 1560Ca 0.11 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.64 3hmh h TYR 1560Cb -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 3hmh h TYR 1560CO -0.05 0.00 -0.93 0.87 -0.00 0.00 0.00 178.16 178.05 3hmh h LYS 1561N 0.00 0.14 0.20 4.88 1.57 -1.30 -3.37 116.57 118.69 3hmh h LYS 1561Ca 0.00 -0.18 -0.34 0.00 -1.87 0.00 0.00 60.65 58.26 3hmh h LYS 1561Cb 0.89 0.06 0.02 0.00 0.08 0.00 0.00 32.23 33.28 3hmh h LYS 1561CO 0.00 0.97 -1.62 0.52 -0.57 0.00 0.00 179.45 178.75 3hmh h MET 1562N 0.07 0.42 -4.44 3.15 2.86 -0.99 -3.44 114.93 112.55 3hmh h MET 1562Ca -0.04 -0.71 -0.72 0.00 -2.06 0.00 0.00 59.70 56.16 3hmh h MET 1562Cb 1.60 0.27 -0.27 0.00 0.06 0.00 0.00 31.60 33.25 3hmh h MET 1562CO 0.14 1.34 -0.46 0.42 1.06 0.00 0.00 176.91 179.41 3hmh s ILE 1563N -2.57 4.33 0.25 -1.22 -1.09 0.36 -4.97 121.20 116.29 3hmh s ILE 1563Ca -0.15 -1.35 0.01 0.00 -2.23 0.00 0.00 60.65 56.94 3hmh s ILE 1563Cb 0.05 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.30 3hmh s ILE 1563CO 0.87 -0.50 1.62 0.58 -1.23 0.00 0.00 174.94 176.28 3hmh h VAL 1564N 6.04 1.31 -2.47 2.92 2.07 -1.86 -3.37 116.25 120.88 3hmh h VAL 1564Ca -0.23 -1.57 -0.60 0.00 0.82 0.00 0.00 66.70 65.12 3hmh h VAL 1564Cb 1.09 1.61 -0.41 0.00 -1.52 0.00 0.00 31.29 32.06 3hmh h VAL 1564CO 0.76 0.49 -0.72 0.59 0.02 0.00 0.00 177.57 178.71 3hmh n ASN 1565N -4.02 2.36 -4.77 0.57 4.13 -1.26 -5.10 115.26 107.17 3hmh n ASN 1565Ca -0.02 -3.10 -0.39 0.00 1.68 0.00 0.00 54.58 52.76 3hmh n ASN 1565Cb 0.51 -0.68 -0.00 0.00 -1.54 0.00 0.00 39.78 38.07 3hmh n ASN 1565CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 3hmh s PRO 1566N -1.60 3.81 -0.02 3.52 0.02 -1.26 -4.97 135.00 134.50 3hmh s PRO 1566Ca 0.33 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.32 3hmh s PRO 1566Cb 0.08 -2.59 0.01 0.00 0.02 0.00 0.00 34.50 32.01 3hmh s PRO 1566CO -0.10 -0.58 0.15 0.08 -0.33 0.00 0.00 177.00 176.21 3hmh s VAL 1567N -1.36 0.05 0.29 3.83 1.01 -1.26 -5.11 120.40 117.85 3hmh s VAL 1567Ca 0.61 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.09 3hmh s VAL 1567Cb -0.35 -0.35 -0.00 0.00 0.00 0.00 0.00 36.38 35.68 3hmh s VAL 1567CO 0.44 -0.23 0.46 1.51 0.00 0.00 0.00 175.10 177.27 3hmh s ASP 1568N -0.81 0.36 0.24 3.32 -4.77 -1.26 -4.76 116.67 108.99 3hmh s ASP 1568Ca -0.09 -1.22 0.02 0.00 -3.30 0.00 0.00 52.55 47.96 3hmh s ASP 1568Cb -0.05 0.61 0.28 0.00 -1.09 0.00 0.00 42.92 42.67 3hmh s ASP 1568CO 0.01 -1.21 1.61 -0.07 0.70 0.00 0.00 175.17 176.21 3hmh h LEU 1569N 2.22 0.43 -0.27 2.11 3.38 -1.00 -1.24 115.31 120.93 3hmh h LEU 1569Ca -0.28 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3hmh h LEU 1569Cb 1.25 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3hmh h LEU 1569CO 0.39 0.83 0.13 -0.08 0.09 0.00 0.00 178.44 179.81 3hmh h GLU 1570N 0.33 0.39 -0.82 1.13 4.81 -1.49 -1.22 114.58 117.71 3hmh h GLU 1570Ca 0.02 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 3hmh h GLU 1570Cb 0.94 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 3hmh h GLU 1570CO 0.08 0.38 0.39 1.15 -0.73 0.00 0.00 179.01 180.28 3hmh h THR 1571N 0.31 1.25 -0.71 0.32 2.02 -1.74 -0.70 112.91 113.66 3hmh h THR 1571Ca 0.09 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 3hmh h THR 1571Cb 0.11 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 3hmh h THR 1571CO -0.01 0.31 0.37 0.40 0.37 0.00 0.00 175.52 176.95 3hmh h ILE 1572N 1.16 1.23 -0.85 3.11 2.04 -0.99 -0.55 117.51 122.66 3hmh h ILE 1572Ca 0.28 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3hmh h ILE 1572Cb 0.12 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3hmh h ILE 1572CO -0.04 0.26 0.41 0.03 0.00 0.00 0.00 178.15 178.82 3hmh h ARG 1573N 0.99 1.22 -0.35 2.37 3.08 -0.84 0.60 114.38 121.45 3hmh h ARG 1573Ca 0.25 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.14 3hmh h ARG 1573Cb 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3hmh h ARG 1573CO -0.04 0.93 0.20 0.87 -1.07 0.00 0.00 179.97 180.86 3hmh h LYS 1574N 1.21 0.39 -0.91 0.04 6.56 -0.93 0.70 116.57 123.63 3hmh h LYS 1574Ca 0.29 -0.02 0.03 0.00 -1.06 0.00 0.00 60.65 59.89 3hmh h LYS 1574Cb 0.11 -0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 31.63 3hmh h LYS 1574CO -0.04 0.26 0.59 -0.91 -2.06 0.00 0.00 179.45 177.30 3hmh h ASN 1575N 0.40 1.00 -0.23 0.86 2.35 -0.69 -0.55 115.58 118.73 3hmh h ASN 1575Ca 0.14 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3hmh h ASN 1575Cb 0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3hmh h ASN 1575CO -0.07 0.69 0.14 0.40 -1.65 0.00 0.00 177.43 176.94 3hmh h ILE 1576N 1.16 1.07 0.00 2.81 2.04 -0.64 0.13 117.51 124.10 3hmh h ILE 1576Ca 0.36 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.06 3hmh h ILE 1576Cb -0.02 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3hmh h ILE 1576CO -0.11 0.07 0.00 0.77 0.00 0.00 0.00 178.15 178.88 3hmh h SER 1577N 0.29 0.00 -0.18 1.72 4.64 -0.27 -1.27 113.55 118.48 3hmh h SER 1577Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hmh h SER 1577Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hmh h SER 1577CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 3hmh n LYS 1578N -2.91 1.93 -3.22 4.77 5.02 -0.27 -4.95 118.16 118.53 3hmh n LYS 1578Ca -0.00 -1.39 -0.22 0.00 -2.02 0.00 0.00 58.31 54.68 3hmh n LYS 1578Cb 0.22 -1.44 0.05 0.00 -0.02 0.00 0.00 35.03 33.84 3hmh n LYS 1578CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hmh n HIS 1579N 0.62 -2.24 -0.31 2.13 8.25 -0.48 -4.91 115.22 118.29 3hmh n HIS 1579Ca 0.17 0.70 0.00 0.00 -0.26 0.00 0.00 57.72 58.33 3hmh n HIS 1579Cb 0.41 -4.54 0.19 0.00 1.12 0.00 0.00 29.99 27.17 3hmh n HIS 1579CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3hmh h LYS 1580N -1.85 1.14 -4.87 -0.41 3.64 -0.98 -3.41 116.57 109.83 3hmh h LYS 1580Ca -0.52 -0.07 -0.66 0.00 -1.27 0.00 0.00 60.65 58.13 3hmh h LYS 1580Cb 1.35 -0.26 -0.18 0.00 -0.41 0.00 0.00 32.23 32.74 3hmh h LYS 1580CO 0.54 0.75 -0.40 0.71 -2.27 0.00 0.00 179.45 178.78 3hmh s TYR 1581N -5.98 3.22 -1.78 1.91 2.02 -1.26 -4.91 117.35 110.57 3hmh s TYR 1581Ca -0.12 -0.03 0.16 0.00 -0.37 0.00 0.00 57.07 56.70 3hmh s TYR 1581Cb 0.18 -2.54 0.23 0.00 -0.40 0.00 0.00 41.96 39.43 3hmh s TYR 1581CO 0.80 -0.34 1.12 1.04 -1.57 0.00 0.00 175.55 176.60 3hmh n GLN 1582N 5.22 1.74 -3.51 -0.62 6.02 -1.26 -4.87 117.38 120.10 3hmh n GLN 1582Ca -0.11 -1.72 -0.11 0.00 -0.01 0.00 0.00 57.00 55.04 3hmh n GLN 1582Cb 0.50 -1.33 -0.02 0.00 1.02 0.00 0.00 30.24 30.40 3hmh n GLN 1582CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3hmh s SER 1583N -1.23 -0.48 0.38 1.08 1.04 -1.26 -4.75 113.70 108.48 3hmh s SER 1583Ca 0.23 -0.13 0.14 0.00 0.48 0.00 0.00 55.95 56.68 3hmh s SER 1583Cb 0.15 0.59 0.76 0.00 0.10 0.00 0.00 66.02 67.62 3hmh s SER 1583CO 0.21 -0.99 1.83 0.08 0.98 0.00 0.00 173.24 175.34 3hmh h ARG 1584N 2.06 0.00 0.24 4.02 0.11 -1.94 -3.17 114.38 115.70 3hmh h ARG 1584Ca -0.32 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.76 3hmh h ARG 1584Cb 1.29 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.34 3hmh h ARG 1584CO 0.38 0.36 -0.35 1.49 0.10 0.00 0.00 179.97 181.96 3hmh h GLU 1585N 0.00 -0.63 -0.47 0.08 4.81 -1.98 0.26 114.58 116.66 3hmh h GLU 1585Ca -0.00 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3hmh h GLU 1585Cb 0.68 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 3hmh h GLU 1585CO 0.05 -0.42 0.08 0.66 -0.73 0.00 0.00 179.01 178.65 3hmh h SER 1586N -0.65 0.69 0.43 1.04 4.64 -1.97 -0.36 113.55 117.37 3hmh h SER 1586Ca 0.00 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3hmh h SER 1586Cb 0.63 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3hmh h SER 1586CO -0.13 0.71 -0.21 0.15 -0.87 0.00 0.00 176.83 176.48 3hmh h PHE 1587N 0.71 -0.54 0.00 4.77 3.57 -1.47 -2.71 116.94 121.27 3hmh h PHE 1587Ca 0.15 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 3hmh h PHE 1587Cb 0.32 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3hmh h PHE 1587CO 0.02 -0.29 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.56 3hmh h LEU 1588N -0.66 0.00 -0.35 0.59 3.38 -0.23 -1.39 115.31 116.66 3hmh h LEU 1588Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3hmh h LEU 1588Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3hmh h LEU 1588CO 0.10 0.17 -0.22 0.44 0.09 0.00 0.00 178.44 179.02 3hmh h ASP 1589N 0.00 0.79 -0.56 -0.43 3.32 -0.95 -0.59 116.42 118.01 3hmh h ASP 1589Ca -0.00 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 3hmh h ASP 1589Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3hmh h ASP 1589CO 0.02 1.05 0.00 0.44 -1.72 0.00 0.00 179.24 179.03 3hmh h ASP 1590N 0.54 0.98 -0.38 6.45 3.32 -0.97 -2.09 116.42 124.27 3hmh h ASP 1590Ca 0.07 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 3hmh h ASP 1590Cb 0.78 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3hmh h ASP 1590CO 0.06 1.04 0.21 0.58 -1.72 0.00 0.00 179.24 179.41 3hmh h VAL 1591N 0.92 1.14 -0.71 -1.35 2.07 -1.22 -2.55 116.25 114.55 3hmh h VAL 1591Ca 0.17 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.34 3hmh h VAL 1591Cb 0.54 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3hmh h VAL 1591CO 0.03 0.15 0.47 0.78 0.02 0.00 0.00 177.57 179.02 3hmh h ASN 1592N 0.49 0.79 -0.17 0.57 -0.26 -0.94 -1.35 115.58 114.72 3hmh h ASN 1592Ca 0.14 -0.02 0.05 0.00 -0.56 0.00 0.00 56.30 55.91 3hmh h ASN 1592Cb 0.05 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 3hmh h ASN 1592CO -0.02 0.56 0.15 -0.07 -1.06 0.00 0.00 177.43 176.99 3hmh h LEU 1593N 0.93 0.00 -0.18 1.61 3.38 -0.95 -0.02 115.31 120.08 3hmh h LEU 1593Ca 0.27 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.27 3hmh h LEU 1593Cb -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3hmh h LEU 1593CO -0.07 0.00 -0.01 0.40 0.09 0.00 0.00 178.44 178.86 3hmh h ILE 1594N 0.00 0.87 -0.08 1.22 2.04 -1.17 -0.59 117.51 119.80 3hmh h ILE 1594Ca 0.08 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3hmh h ILE 1594Cb 0.39 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3hmh h ILE 1594CO -0.00 0.01 0.01 0.25 0.00 0.00 0.00 178.15 178.42 3hmh h LEU 1595N 0.05 0.13 -0.83 1.44 5.85 -1.38 -2.72 115.31 117.85 3hmh h LEU 1595Ca 0.08 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3hmh h LEU 1595Cb 0.11 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3hmh h LEU 1595CO -0.15 0.36 0.45 0.00 -0.34 0.00 0.00 178.44 178.77 3hmh h ALA 1596N 0.77 1.06 -0.30 1.25 0.00 -0.98 0.08 119.26 121.14 3hmh h ALA 1596Ca 0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3hmh h ALA 1596Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3hmh h ALA 1596CO 0.00 0.57 -0.27 -0.91 0.00 0.00 0.00 179.25 178.64 3hmh h ASN 1597N 1.15 0.76 -0.60 0.00 2.35 -1.14 -2.61 115.58 115.50 3hmh h ASN 1597Ca 0.29 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3hmh h ASN 1597Cb 0.03 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3hmh h ASN 1597CO -0.05 1.06 0.37 -1.28 -1.65 0.00 0.00 177.43 175.88 3hmh h SER 1598N 0.47 0.71 -0.71 5.81 0.87 -1.25 0.61 113.55 120.06 3hmh h SER 1598Ca 0.05 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3hmh h SER 1598Cb 0.84 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.57 3hmh h SER 1598CO 0.07 0.55 0.42 0.58 -0.53 0.00 0.00 176.83 177.92 3hmh h VAL 1599N 0.81 1.03 0.06 2.23 2.07 -0.89 0.94 116.25 122.50 3hmh h VAL 1599Ca 0.21 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3hmh h VAL 1599Cb -0.03 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3hmh h VAL 1599CO -0.04 0.15 -0.03 0.50 0.02 0.00 0.00 177.57 178.16 3hmh h LYS 1600N 0.80 -0.08 0.13 1.57 1.63 -1.21 -1.84 116.57 117.57 3hmh h LYS 1600Ca 0.31 0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.89 3hmh h LYS 1600Cb 0.12 0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3hmh h LYS 1600CO -0.15 0.35 -1.07 -0.92 -3.45 0.00 0.00 179.45 174.21 3hmh h TYR 1601N -0.54 0.50 0.00 1.91 3.20 -0.70 -3.36 116.97 117.98 3hmh h TYR 1601Ca -0.01 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.50 3hmh h TYR 1601Cb 0.47 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3hmh h TYR 1601CO 0.08 1.41 -1.44 0.09 -1.64 0.00 0.00 178.16 176.66 3hmh n ASN 1602N -4.05 0.44 0.00 -2.11 3.02 0.28 -5.07 115.26 107.77 3hmh n ASN 1602Ca -0.19 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3hmh n ASN 1602Cb 0.85 1.20 0.00 0.00 -0.61 0.00 0.00 39.78 41.23 3hmh n ASN 1602CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hmh n GLY 1603N 1.26 2.22 0.27 7.41 0.00 -0.69 -4.43 105.19 111.22 3hmh n GLY 1603Ca -0.01 -1.72 0.14 0.00 0.00 0.00 0.00 46.02 44.43 3hmh n GLY 1603CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hmh h PRO 1604N 0.00 0.00 -0.07 1.61 0.13 -1.82 -2.87 132.00 128.98 3hmh h PRO 1604Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hmh h PRO 1604Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hmh h PRO 1604CO 0.00 0.09 0.00 0.39 -0.23 0.00 0.00 178.00 178.25 3hmh n GLU 1605N -3.55 1.06 -1.52 0.86 4.71 -1.26 -4.80 120.64 116.15 3hmh n GLU 1605Ca -0.02 -1.38 -0.42 0.00 -0.01 0.00 0.00 57.16 55.33 3hmh n GLU 1605Cb 0.22 -1.25 0.01 0.00 -1.01 0.00 0.00 31.44 29.40 3hmh n GLU 1605CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3hmh n SER 1606N 0.70 0.08 0.09 1.62 2.88 -1.08 -4.86 113.62 113.04 3hmh n SER 1606Ca 0.08 0.98 0.03 0.00 -1.33 0.00 0.00 58.87 58.63 3hmh n SER 1606Cb 0.34 -1.21 0.40 0.00 -0.75 0.00 0.00 64.21 62.99 3hmh n SER 1606CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3hmh h GLN 1607N 1.16 0.32 -0.77 -1.46 5.75 -1.93 -1.29 115.11 116.90 3hmh h GLN 1607Ca -0.41 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3hmh h GLN 1607Cb 1.37 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.83 3hmh h GLN 1607CO 0.54 0.37 0.50 1.88 -2.65 0.00 0.00 178.83 179.47 3hmh h TYR 1608N 0.32 0.98 -0.50 3.99 0.05 -1.93 0.36 116.97 120.23 3hmh h TYR 1608Ca 0.07 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.78 3hmh h TYR 1608Cb 0.24 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 3hmh h TYR 1608CO 0.01 0.63 -0.03 1.15 -1.05 0.00 0.00 178.16 178.87 3hmh h THR 1609N 1.04 1.25 -0.63 -2.88 2.02 -1.64 -0.45 112.91 111.62 3hmh h THR 1609Ca 0.28 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 66.30 3hmh h THR 1609Cb -0.09 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3hmh h THR 1609CO -0.06 0.39 0.12 0.11 0.37 0.00 0.00 175.52 176.45 3hmh h LYS 1610N 0.80 1.02 -0.38 6.66 1.57 -0.57 0.34 116.57 126.00 3hmh h LYS 1610Ca 0.15 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3hmh h LYS 1610Cb 0.52 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3hmh h LYS 1610CO 0.03 0.92 0.19 1.15 -0.57 0.00 0.00 179.45 181.17 3hmh h THR 1611N 0.96 1.17 -0.39 -0.16 2.02 -0.39 -2.10 112.91 114.02 3hmh h THR 1611Ca 0.20 -0.47 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3hmh h THR 1611Cb 0.38 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3hmh h THR 1611CO 0.01 0.18 0.13 0.00 0.37 0.00 0.00 175.52 176.20 3hmh h ALA 1612N 1.04 1.49 -0.57 6.16 0.00 -0.55 0.44 119.26 127.27 3hmh h ALA 1612Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3hmh h ALA 1612Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hmh h ALA 1612CO -0.02 0.39 0.03 0.37 0.00 0.00 0.00 179.25 180.02 3hmh h GLN 1613N 0.56 0.96 -0.51 0.00 5.75 -0.71 -0.35 115.11 120.81 3hmh h GLN 1613Ca 0.13 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.27 3hmh h GLN 1613Cb 0.16 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3hmh h GLN 1613CO -0.01 0.93 -0.03 0.93 -2.65 0.00 0.00 178.83 178.00 3hmh h GLU 1614N 0.89 0.93 -0.61 1.69 5.08 -0.32 0.41 114.58 122.65 3hmh h GLU 1614Ca 0.17 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3hmh h GLU 1614Cb 0.49 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3hmh h GLU 1614CO 0.02 0.96 0.37 0.82 -1.00 0.00 0.00 179.01 180.18 3hmh h ILE 1615N 0.79 1.18 -0.18 3.13 2.04 -0.69 -0.98 117.51 122.80 3hmh h ILE 1615Ca 0.14 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3hmh h ILE 1615Cb 0.56 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3hmh h ILE 1615CO 0.03 0.19 0.00 0.58 0.00 0.00 0.00 178.15 178.95 3hmh h VAL 1616N 0.83 1.25 -0.84 1.67 2.07 -0.79 -2.39 116.25 118.05 3hmh h VAL 1616Ca 0.22 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3hmh h VAL 1616Cb -0.02 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3hmh h VAL 1616CO -0.04 0.26 0.55 0.78 0.02 0.00 0.00 177.57 179.13 3hmh h ASN 1617N 0.07 0.94 0.30 0.57 2.35 -0.63 -1.74 115.58 117.43 3hmh h ASN 1617Ca 0.05 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 3hmh h ASN 1617Cb 0.38 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3hmh h ASN 1617CO 0.01 0.67 -0.49 -0.29 -1.65 0.00 0.00 177.43 175.67 3hmh h ILE 1618N 1.10 1.34 0.20 2.81 2.10 -1.19 -0.90 117.51 122.97 3hmh h ILE 1618Ca 0.32 -1.72 -0.01 0.00 1.08 0.00 0.00 64.86 64.53 3hmh h ILE 1618Cb -0.08 1.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.48 3hmh h ILE 1618CO -0.08 0.51 -0.10 0.00 -1.08 0.00 0.00 178.15 177.40 3hmh h TYR 1620N -0.28 0.45 -0.83 0.00 -1.99 -1.12 0.79 116.97 113.99 3hmh h TYR 1620Ca -0.03 0.01 0.09 0.00 2.00 0.00 0.00 58.73 60.80 3hmh h TYR 1620Cb 0.21 -0.15 -0.06 0.00 2.00 0.00 0.00 36.73 38.74 3hmh h TYR 1620CO -0.06 0.28 0.54 1.96 -0.00 0.00 0.00 178.16 180.87 3hmh h GLN 1621N 0.49 0.79 0.06 4.88 4.20 -1.04 -0.25 115.11 124.25 3hmh h GLN 1621Ca 0.14 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.65 3hmh h GLN 1621Cb -0.04 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.58 3hmh h GLN 1621CO -0.04 0.52 -0.62 1.15 -0.67 0.00 0.00 178.83 179.18 3hmh h THR 1622N 0.82 1.50 -0.65 -0.54 2.02 -0.41 -2.79 112.91 112.85 3hmh h THR 1622Ca 0.37 -2.27 0.08 0.00 0.77 0.00 0.00 66.41 65.37 3hmh h THR 1622Cb 0.38 2.92 -0.07 0.00 -1.74 0.00 0.00 68.15 69.63 3hmh h THR 1622CO -0.15 0.64 0.31 0.40 0.37 0.00 0.00 175.52 177.10 3hmh h ILE 1623N -0.31 0.85 -0.60 3.11 1.08 -0.70 -1.90 117.51 119.04 3hmh h ILE 1623Ca -0.09 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.26 3hmh h ILE 1623Cb 1.40 0.26 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 3hmh h ILE 1623CO 0.12 0.10 0.27 0.74 -0.69 0.00 0.00 178.15 178.69 3hmh h THR 1624N 0.54 0.87 -0.28 -0.27 2.02 -1.01 -0.85 112.91 113.93 3hmh h THR 1624Ca 0.32 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.34 3hmh h THR 1624Cb 0.33 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3hmh h THR 1624CO -0.26 0.09 0.19 -0.33 0.37 0.00 0.00 175.52 175.58 3hmh h GLU 1625N 0.50 0.34 -0.64 6.66 5.08 -1.08 -2.46 114.58 122.97 3hmh h GLU 1625Ca 0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3hmh h GLU 1625Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hmh h GLU 1625CO -0.23 0.22 0.00 0.66 -1.00 0.00 0.00 179.01 178.66 3hmh n TYR 1626N -4.50 1.08 -0.07 4.33 4.01 -0.41 -4.72 117.16 116.88 3hmh n TYR 1626Ca 0.02 -0.48 -0.07 0.00 -0.16 0.00 0.00 57.90 57.21 3hmh n TYR 1626Cb 0.10 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.01 3hmh n TYR 1626CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3hmh h ASP 1627N 3.69 -0.15 -0.57 7.72 3.32 -0.81 -0.84 116.42 128.78 3hmh h ASP 1627Ca 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3hmh h ASP 1627Cb 1.07 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 3hmh h ASP 1627CO 0.10 -0.04 0.08 -0.08 -1.72 0.00 0.00 179.24 177.58 3hmh h GLU 1628N 0.06 0.98 0.08 3.56 4.81 -1.84 -1.25 114.58 120.98 3hmh h GLU 1628Ca 0.13 -0.26 -0.27 0.00 -0.13 0.00 0.00 59.36 58.84 3hmh h GLU 1628Cb 0.18 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.46 3hmh h GLU 1628CO -0.24 0.92 -1.14 0.45 -0.73 0.00 0.00 179.01 178.28 3hmh h HIS 1629N 0.92 0.73 -0.85 0.92 3.86 -1.84 -1.93 115.15 116.95 3hmh h HIS 1629Ca 0.18 -0.45 -0.03 0.00 -1.16 0.00 0.00 60.37 58.91 3hmh h HIS 1629Cb 0.43 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 3hmh h HIS 1629CO 0.03 1.31 0.40 -0.07 0.86 0.00 0.00 177.93 180.46 3hmh h LEU 1630N 0.21 1.12 -0.22 2.43 3.38 -1.07 -0.18 115.31 120.98 3hmh h LEU 1630Ca -0.13 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3hmh h LEU 1630Cb 1.81 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 3hmh h LEU 1630CO 0.20 0.95 0.01 0.74 0.09 0.00 0.00 178.44 180.43 3hmh h THR 1631N 1.22 0.86 -0.26 0.22 2.02 -1.22 0.23 112.91 115.98 3hmh h THR 1631Ca 0.29 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.50 3hmh h THR 1631Cb 0.13 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 3hmh h THR 1631CO -0.04 0.02 -0.15 -0.61 0.37 0.00 0.00 175.52 175.11 3hmh h GLN 1632N 0.09 -0.12 -0.38 6.66 4.15 -1.04 -1.00 115.11 123.47 3hmh h GLN 1632Ca 0.10 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 3hmh h GLN 1632Cb 0.12 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3hmh h GLN 1632CO -0.16 -0.08 -0.25 1.25 -1.93 0.00 0.00 178.83 177.66 3hmh h LEU 1633N -0.13 0.87 -0.59 -2.39 5.85 -0.90 -0.22 115.31 117.81 3hmh h LEU 1633Ca 0.14 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.50 3hmh h LEU 1633Cb 0.34 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3hmh h LEU 1633CO -0.34 1.11 0.27 -0.33 -0.34 0.00 0.00 178.44 178.82 3hmh h GLU 1634N 0.64 0.49 -0.48 1.25 5.08 -0.90 0.21 114.58 120.87 3hmh h GLU 1634Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3hmh h GLU 1634Cb 0.82 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3hmh h GLU 1634CO 0.07 0.33 0.25 -0.22 -1.00 0.00 0.00 179.01 178.44 3hmh h LYS 1635N 0.51 0.67 -0.61 2.33 1.63 -0.91 -0.40 116.57 119.79 3hmh h LYS 1635Ca 0.28 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.95 3hmh h LYS 1635Cb 0.24 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 3hmh h LYS 1635CO -0.22 0.54 0.21 -0.44 -3.45 0.00 0.00 179.45 176.09 3hmh h ASP 1636N 0.63 0.84 0.06 4.20 3.32 -0.61 -0.56 116.42 124.29 3hmh h ASP 1636Ca 0.17 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hmh h ASP 1636Cb 0.07 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.40 3hmh h ASP 1636CO -0.03 0.77 -0.03 0.40 -1.72 0.00 0.00 179.24 178.64 3hmh h ILE 1637N 0.89 1.15 -0.89 0.35 2.04 -0.47 -0.95 117.51 119.63 3hmh h ILE 1637Ca 0.20 -0.69 0.15 0.00 1.00 0.00 0.00 64.86 65.53 3hmh h ILE 1637Cb 0.22 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.80 3hmh h ILE 1637CO -0.01 0.17 0.48 0.00 0.00 0.00 0.00 178.15 178.79 3hmh h THR 1639N 0.68 1.34 -0.46 0.00 2.02 -1.06 -2.12 112.91 113.30 3hmh h THR 1639Ca 0.48 -1.42 -0.13 0.00 0.77 0.00 0.00 66.41 66.11 3hmh h THR 1639Cb 0.67 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3hmh h THR 1639CO -0.36 0.43 -0.22 0.00 0.37 0.00 0.00 175.52 175.74 3hmh h ALA 1640N 0.61 0.72 -0.54 6.16 0.00 -0.96 -1.72 119.26 123.54 3hmh h ALA 1640Ca 0.02 -0.39 0.09 0.00 0.00 0.00 0.00 54.91 54.63 3hmh h ALA 1640Cb 0.79 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 3hmh h ALA 1640CO 0.05 0.67 0.16 -0.22 0.00 0.00 0.00 179.25 179.91 3hmh h LYS 1641N 0.82 0.31 -0.54 0.00 3.64 -0.47 0.11 116.57 120.45 3hmh h LYS 1641Ca 0.11 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3hmh h LYS 1641Cb 0.79 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 3hmh h LYS 1641CO 0.07 0.21 0.23 1.49 -2.27 0.00 0.00 179.45 179.18 3hmh h GLU 1642N 0.32 0.79 -0.38 1.90 4.57 -1.08 -1.54 114.58 119.16 3hmh h GLU 1642Ca 0.27 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 3hmh h GLU 1642Cb 0.34 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3hmh h GLU 1642CO -0.31 0.67 -0.27 0.00 -1.18 0.00 0.00 179.01 177.93 3hmh h ALA 1643N 1.08 0.82 -0.51 2.92 0.00 -0.89 -1.05 119.26 121.63 3hmh h ALA 1643Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3hmh h ALA 1643Cb 0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hmh h ALA 1643CO -0.02 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.90 3hmh h ALA 1644N 1.02 0.68 -0.42 0.00 0.00 -0.76 -2.06 119.26 117.73 3hmh h ALA 1644Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hmh h ALA 1644Cb 0.79 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hmh h ALA 1644CO 0.07 0.47 0.16 1.25 0.00 0.00 0.00 179.25 181.20 3hmh h LEU 1645N 0.75 0.59 -0.87 0.00 5.85 -0.99 -0.28 115.31 120.36 3hmh h LEU 1645Ca 0.15 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3hmh h LEU 1645Cb 0.48 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3hmh h LEU 1645CO 0.02 0.61 0.55 -0.33 -0.34 0.00 0.00 178.44 178.95 3hmh h GLU 1646N 0.54 1.01 -0.35 1.25 5.08 -1.12 -0.91 114.58 120.08 3hmh h GLU 1646Ca 0.14 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3hmh h GLU 1646Cb 0.21 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3hmh h GLU 1646CO -0.01 0.67 -0.22 1.49 -1.00 0.00 0.00 179.01 179.94 3hmh h GLU 1647N 1.04 0.77 -0.37 2.33 4.81 -1.07 -1.74 114.58 120.36 3hmh h GLU 1647Ca 0.36 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3hmh h GLU 1647Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3hmh h GLU 1647CO -0.15 0.98 0.07 0.00 -0.73 0.00 0.00 179.01 179.18 3hmh h ALA 1648N 0.77 0.49 0.00 2.92 0.00 -0.91 -2.85 119.26 119.68 3hmh h ALA 1648Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hmh h ALA 1648Cb 0.78 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3hmh h ALA 1648CO 0.06 0.19 -0.03 -0.85 0.00 0.00 0.00 179.25 178.62 3hmh n GLU 1649N -4.56 0.26 0.00 0.00 0.28 -0.36 -3.19 120.64 113.06 3hmh n GLU 1649Ca -0.01 0.20 0.13 0.00 -0.16 0.00 0.00 57.16 57.32 3hmh n GLU 1649Cb 0.22 -1.79 0.28 0.00 1.43 0.00 0.00 31.44 31.57 3hmh n GLU 1649CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3hmh n LEU 1650N -2.24 1.93 0.00 -1.84 4.77 -0.66 -5.08 117.00 113.89 3hmh n LEU 1650Ca 0.05 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3hmh n LEU 1650Cb 0.43 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3hmh n LEU 1650CO 0.31 0.33 0.20 -0.62 -1.33 0.00 0.00 177.39 176.28