#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbu h GLN 1588N 0.00 0.86 -0.91 -1.09 5.75 -2.05 -1.81 115.11 115.85 3kbu h GLN 1588Ca 0.00 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3kbu h GLN 1588Cb 0.00 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.36 3kbu h GLN 1588CO 0.00 0.73 0.60 -0.92 -2.65 0.00 0.00 178.83 176.59 3kbu h TYR 1589N 0.80 1.13 -0.01 3.99 3.20 -2.00 -1.49 116.97 122.58 3kbu h TYR 1589Ca 0.20 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3kbu h TYR 1589Cb 0.18 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 3kbu h TYR 1589CO 0.01 0.69 0.00 1.88 -1.64 0.00 0.00 178.16 179.09 3kbu h TYR 1590N 1.19 0.02 -0.27 -3.82 0.05 -1.89 -0.64 116.97 111.61 3kbu h TYR 1590Ca 0.34 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.18 3kbu h TYR 1590Cb -0.08 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.60 3kbu h TYR 1590CO -0.00 0.28 -0.09 -0.07 -1.05 0.00 0.00 178.16 177.23 3kbu h LEU 1591N -0.25 -0.32 -0.87 3.88 3.38 -1.14 -0.58 115.31 119.41 3kbu h LEU 1591Ca 0.00 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3kbu h LEU 1591Cb 0.27 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3kbu h LEU 1591CO 0.00 -0.12 0.52 0.44 0.09 0.00 0.00 178.44 179.38 3kbu h ASP 1592N -0.04 1.05 -0.08 -0.43 5.19 -1.26 -1.99 116.42 118.87 3kbu h ASP 1592Ca 0.13 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3kbu h ASP 1592Cb 0.24 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 3kbu h ASP 1592CO -0.30 0.81 0.03 0.00 -3.12 0.00 0.00 179.24 176.66 3kbu h ALA 1593N 1.28 0.10 -0.76 3.45 0.00 -0.43 -2.03 119.26 120.88 3kbu h ALA 1593Ca 0.31 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.22 3kbu h ALA 1593Cb -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3kbu h ALA 1593CO -0.06 -0.32 0.50 -0.44 0.00 0.00 0.00 179.25 178.93 3kbu h ASP 1594N -0.03 0.64 0.24 0.00 3.32 -0.95 -1.20 116.42 118.45 3kbu h ASP 1594Ca 0.03 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3kbu h ASP 1594Cb 0.16 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3kbu h ASP 1594CO -0.00 0.40 -0.12 -0.08 -1.72 0.00 0.00 179.24 177.72 3kbu h GLU 1595N 0.72 -0.31 -0.32 3.56 4.81 -0.85 -0.98 114.58 121.21 3kbu h GLU 1595Ca 0.34 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.57 3kbu h GLU 1595Cb 0.38 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3kbu h GLU 1595CO -0.12 -0.16 0.10 0.00 -0.73 0.00 0.00 179.01 178.10 3kbu h ALA 1596N 0.35 0.42 -0.65 2.92 0.00 -1.06 -0.74 119.26 120.50 3kbu h ALA 1596Ca -0.03 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3kbu h ALA 1596Cb 0.30 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3kbu h ALA 1596CO 0.05 0.06 0.21 0.93 0.00 0.00 0.00 179.25 180.50 3kbu h GLU 1597N 0.36 0.35 -0.52 0.00 4.39 -1.15 0.37 114.58 118.37 3kbu h GLU 1597Ca 0.10 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 3kbu h GLU 1597Cb 0.25 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3kbu h GLU 1597CO -0.00 0.23 0.02 0.00 -1.16 0.00 0.00 179.01 178.09 3kbu h ALA 1598N 1.48 1.05 -0.01 3.43 0.00 -0.87 -0.90 119.26 123.45 3kbu h ALA 1598Ca 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3kbu h ALA 1598Cb 0.49 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3kbu h ALA 1598CO -0.37 0.60 -0.00 2.35 0.00 0.00 0.00 179.25 181.82 3kbu h TRP 1599N 0.81 0.01 -0.56 0.00 7.01 0.54 -1.47 115.95 122.29 3kbu h TRP 1599Ca 0.16 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.21 3kbu h TRP 1599Cb 0.46 -0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.47 3kbu h TRP 1599CO 0.03 0.34 0.28 0.82 -2.79 0.00 0.00 178.44 177.12 3kbu h ILE 1600N -0.32 0.94 -0.47 2.65 2.04 -0.27 -1.57 117.51 120.51 3kbu h ILE 1600Ca 0.00 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.75 3kbu h ILE 1600Cb 0.34 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3kbu h ILE 1600CO 0.00 0.10 0.14 1.23 0.00 0.00 0.00 178.15 179.62 3kbu h GLY 1601N 0.53 0.60 0.98 5.37 0.00 -0.94 -1.80 103.07 107.81 3kbu h GLY 1601Ca 0.25 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 3kbu h GLY 1601CO -0.18 -0.01 0.23 -2.09 0.00 0.00 0.00 176.54 174.49 3kbu h GLU 1602N 0.29 0.55 -0.37 4.80 4.57 -0.79 -1.92 114.58 121.71 3kbu h GLU 1602Ca 0.23 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3kbu h GLU 1602Cb 0.26 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3kbu h GLU 1602CO -0.25 0.42 0.15 1.96 -1.18 0.00 0.00 179.01 180.10 3kbu h GLN 1603N 0.52 0.56 -0.32 1.92 1.08 -0.98 0.22 115.11 118.11 3kbu h GLN 1603Ca 0.14 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.13 3kbu h GLN 1603Cb 0.02 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3kbu h GLN 1603CO -0.03 0.54 -0.21 1.49 -0.95 0.00 0.00 178.83 179.67 3kbu h GLU 1604N 0.45 0.71 0.09 1.46 4.81 -1.29 -1.26 114.58 119.55 3kbu h GLU 1604Ca 0.12 -0.34 -0.34 0.00 -0.13 0.00 0.00 59.36 58.67 3kbu h GLU 1604Cb 0.19 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3kbu h GLU 1604CO -0.01 0.95 -1.90 1.28 -0.73 0.00 0.00 179.01 178.60 3kbu n LEU 1605N -4.30 2.48 -0.11 1.64 4.77 -0.73 -4.68 117.00 116.08 3kbu n LEU 1605Ca -0.03 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.04 3kbu n LEU 1605Cb 0.43 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.35 3kbu n LEU 1605CO 0.44 0.73 -1.19 -1.22 -1.33 0.00 0.00 177.39 174.82 3kbu n TYR 1606N -3.69 0.00 0.17 -1.77 4.01 0.68 -4.74 117.16 111.81 3kbu n TYR 1606Ca -0.34 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.33 3kbu n TYR 1606Cb 0.96 -0.83 -0.04 0.00 -0.31 0.00 0.00 39.34 39.12 3kbu n TYR 1606CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kbu h VAL 1607N 0.00 0.00 -4.09 -0.72 2.07 -1.20 -3.45 116.25 108.86 3kbu h VAL 1607Ca -0.48 -0.55 -0.52 0.00 0.82 0.00 0.00 66.70 65.97 3kbu h VAL 1607Cb 1.78 0.00 0.10 0.00 -1.52 0.00 0.00 31.29 31.65 3kbu h VAL 1607CO -0.06 0.00 0.46 -0.63 0.02 0.00 0.00 177.57 177.35 3kbu s ILE 1608N -3.16 2.84 0.07 4.57 1.01 -0.48 -5.01 121.20 121.03 3kbu s ILE 1608Ca -0.07 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.12 3kbu s ILE 1608Cb 0.01 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 3kbu s ILE 1608CO 0.21 -0.11 -0.07 -0.55 0.00 0.00 0.00 174.94 174.42 3kbu s SER 1609N -1.67 1.03 0.00 3.58 0.15 -1.26 -4.78 113.70 110.75 3kbu s SER 1609Ca 0.76 -0.79 0.14 0.00 0.70 0.00 0.00 55.95 56.75 3kbu s SER 1609Cb -0.28 0.07 0.17 0.00 -1.71 0.00 0.00 66.02 64.26 3kbu s SER 1609CO 0.31 -0.34 1.03 0.47 1.20 0.00 0.00 173.24 175.90 3kbu n ASP 1610N 0.66 2.39 -4.68 5.45 8.00 -1.26 -5.03 116.55 122.08 3kbu n ASP 1610Ca -0.17 -1.68 -0.39 0.00 0.71 0.00 0.00 54.79 53.27 3kbu n ASP 1610Cb 0.58 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.66 3kbu n ASP 1610CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kbu n GLU 1611N 0.81 1.35 -3.91 -1.24 1.02 -1.26 -4.97 120.64 112.44 3kbu n GLU 1611Ca 0.10 0.50 -0.35 0.00 -0.02 0.00 0.00 57.16 57.39 3kbu n GLU 1611Cb 0.38 -2.35 -0.14 0.00 -0.02 0.00 0.00 31.44 29.31 3kbu n GLU 1611CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kbu s ILE 1612N -1.36 3.21 0.32 -3.67 1.01 -1.26 -5.06 121.20 114.39 3kbu s ILE 1612Ca 0.72 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3kbu s ILE 1612Cb -0.44 -2.56 -0.11 0.00 0.01 0.00 0.00 42.46 39.37 3kbu s ILE 1612CO 0.49 0.28 1.42 -2.16 0.00 0.00 0.00 174.94 174.97 3kbu s PRO 1613N 1.41 4.24 0.09 2.79 0.04 -1.26 -4.94 135.00 137.36 3kbu s PRO 1613Ca 0.03 2.38 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 3kbu s PRO 1613Cb -0.16 -3.04 -0.26 0.00 0.04 0.00 0.00 34.50 31.08 3kbu s PRO 1613CO -0.03 -0.39 1.18 0.87 0.04 0.00 0.00 177.00 178.67 3kbu h LYS 1614N 3.75 0.22 0.00 4.56 1.57 -1.97 -3.47 116.57 121.23 3kbu h LYS 1614Ca -0.49 -0.37 -0.28 0.00 -1.87 0.00 0.00 60.65 57.64 3kbu h LYS 1614Cb 1.23 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 3kbu h LYS 1614CO 0.69 1.17 -0.20 -0.40 -0.57 0.00 0.00 179.45 180.14 3kbu n ASP 1615N -3.51 -0.91 -0.25 0.86 5.68 -1.26 -5.02 116.55 112.13 3kbu n ASP 1615Ca -0.07 -2.59 -0.02 0.00 -0.50 0.00 0.00 54.79 51.61 3kbu n ASP 1615Cb 1.00 1.80 0.09 0.00 -1.14 0.00 0.00 41.12 42.87 3kbu n ASP 1615CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3kbu h GLU 1616N 0.00 0.80 0.20 0.11 4.81 -1.93 -1.68 114.58 116.89 3kbu h GLU 1616Ca -0.21 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3kbu h GLU 1616Cb 0.95 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 3kbu h GLU 1616CO 0.29 0.53 -0.31 1.49 -0.73 0.00 0.00 179.01 180.28 3kbu h GLU 1617N 0.82 -0.55 -0.71 1.92 4.81 -1.99 -1.88 114.58 117.00 3kbu h GLU 1617Ca 0.30 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.67 3kbu h GLU 1617Cb 0.10 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 3kbu h GLU 1617CO -0.14 -0.37 0.47 0.78 -0.73 0.00 0.00 179.01 179.02 3kbu h GLY 1618N -0.58 0.83 0.83 1.92 0.00 -1.80 -2.05 103.07 102.22 3kbu h GLY 1618Ca 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 3kbu h GLY 1618CO -0.13 0.14 0.02 0.00 0.00 0.00 0.00 176.54 176.57 3kbu h ALA 1619N 1.64 0.28 0.11 3.60 0.00 -0.82 0.14 119.26 124.21 3kbu h ALA 1619Ca 0.33 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kbu h ALA 1619Cb 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kbu h ALA 1619CO -0.11 -0.02 -0.33 0.82 0.00 0.00 0.00 179.25 179.61 3kbu h ILE 1620N 0.14 0.30 -0.35 0.00 2.04 -0.70 -0.25 117.51 118.69 3kbu h ILE 1620Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.98 3kbu h ILE 1620Cb 0.36 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 3kbu h ILE 1620CO 0.01 0.00 -0.44 0.58 0.00 0.00 0.00 178.15 178.30 3kbu h VAL 1621N -0.55 0.10 -0.99 1.67 2.07 -1.22 -0.33 116.25 117.02 3kbu h VAL 1621Ca 0.03 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3kbu h VAL 1621Cb 0.58 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 3kbu h VAL 1621CO -0.20 0.00 0.64 0.24 0.02 0.00 0.00 177.57 178.27 3kbu h MET 1622N -0.37 1.16 -0.12 1.57 2.86 -0.34 -0.31 114.93 119.38 3kbu h MET 1622Ca 0.12 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 3kbu h MET 1622Cb 0.60 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3kbu h MET 1622CO -0.54 0.77 -0.71 1.25 1.06 0.00 0.00 176.91 178.73 3kbu h LEU 1623N 1.19 0.64 -0.41 1.22 5.85 -0.58 0.43 115.31 123.65 3kbu h LEU 1623Ca 0.41 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 3kbu h LEU 1623Cb 0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3kbu h LEU 1623CO -0.15 1.16 0.09 0.50 -0.34 0.00 0.00 178.44 179.71 3kbu h LYS 1624N 0.38 0.66 -0.28 1.25 3.64 -0.32 -0.94 116.57 120.96 3kbu h LYS 1624Ca -0.03 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3kbu h LYS 1624Cb 1.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 3kbu h LYS 1624CO 0.13 0.68 0.17 -0.09 -2.27 0.00 0.00 179.45 178.07 3kbu h ARG 1625N 0.52 0.38 -0.79 1.90 2.43 -0.79 -2.74 114.38 115.28 3kbu h ARG 1625Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3kbu h ARG 1625Cb 0.32 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3kbu h ARG 1625CO 0.00 0.30 0.47 1.25 -1.51 0.00 0.00 179.97 180.49 3kbu h HIS 1626N 0.35 1.05 -0.43 2.20 2.76 -0.02 -2.39 115.15 118.68 3kbu h HIS 1626Ca 0.10 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3kbu h HIS 1626Cb 0.02 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 3kbu h HIS 1626CO -0.04 0.71 0.19 -0.07 -1.30 0.00 0.00 177.93 177.42 3kbu h LEU 1627N 1.09 0.57 -0.49 0.26 3.38 -0.96 0.71 115.31 119.87 3kbu h LEU 1627Ca 0.28 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.21 3kbu h LEU 1627Cb -0.03 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.47 3kbu h LEU 1627CO -0.05 0.55 -0.19 0.03 0.09 0.00 0.00 178.44 178.87 3kbu h ARG 1628N 0.55 -0.08 -0.67 1.13 -0.00 -1.39 0.40 114.38 114.32 3kbu h ARG 1628Ca 0.15 0.01 -0.05 0.00 -0.50 0.00 0.00 59.98 59.59 3kbu h ARG 1628Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.10 3kbu h ARG 1628CO -0.02 -0.05 0.24 1.96 0.00 0.00 0.00 179.97 182.10 3kbu h GLN 1629N -0.08 1.02 -0.68 0.04 4.20 -1.04 -2.01 115.11 116.55 3kbu h GLN 1629Ca 0.23 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3kbu h GLN 1629Cb 0.44 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3kbu h GLN 1629CO -0.55 0.87 0.26 0.37 -0.67 0.00 0.00 178.83 179.11 3kbu h GLN 1630N 0.96 1.03 -0.88 1.46 4.15 -0.09 -1.94 115.11 119.80 3kbu h GLN 1630Ca 0.22 -0.20 0.06 0.00 0.77 0.00 0.00 58.65 59.50 3kbu h GLN 1630Cb 0.25 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 3kbu h GLN 1630CO -0.01 0.86 0.57 0.00 -1.93 0.00 0.00 178.83 178.32 3kbu h ARG 1631N 0.98 0.98 -0.55 1.69 3.08 0.28 0.34 114.38 121.18 3kbu h ARG 1631Ca 0.23 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 3kbu h ARG 1631Cb 0.23 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3kbu h ARG 1631CO -0.02 0.65 -0.12 0.00 -1.07 0.00 0.00 179.97 179.41 3kbu h ALA 1632N 1.52 0.75 -0.27 0.04 0.00 -0.87 -1.44 119.26 118.99 3kbu h ALA 1632Ca 0.37 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kbu h ALA 1632Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3kbu h ALA 1632CO -0.13 0.68 0.13 0.28 0.00 0.00 0.00 179.25 180.20 3kbu h VAL 1633N 0.92 1.15 -0.11 0.00 2.07 -0.61 -2.45 116.25 117.22 3kbu h VAL 1633Ca 0.14 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3kbu h VAL 1633Cb 0.69 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.34 3kbu h VAL 1633CO 0.05 0.15 -0.19 -0.08 0.02 0.00 0.00 177.57 177.52 3kbu h GLU 1634N 0.30 -0.24 -0.76 1.57 4.57 -0.85 -2.41 114.58 116.77 3kbu h GLU 1634Ca 0.09 0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.39 3kbu h GLU 1634Cb 0.12 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 3kbu h GLU 1634CO -0.01 -0.16 0.50 -0.44 -1.18 0.00 0.00 179.01 177.72 3kbu h ASP 1635N -0.25 0.58 0.10 1.04 5.19 -1.14 -0.20 116.42 121.75 3kbu h ASP 1635Ca 0.09 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 3kbu h ASP 1635Cb 0.38 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 3kbu h ASP 1635CO -0.26 0.34 -0.03 0.22 -3.12 0.00 0.00 179.24 176.39 3kbu h TYR 1636N 0.64 0.00 -1.38 4.55 3.20 -0.94 -2.49 116.97 120.55 3kbu h TYR 1636Ca 0.35 0.00 0.40 0.00 3.14 0.00 0.00 58.73 62.63 3kbu h TYR 1636Cb 0.52 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.71 3kbu h TYR 1636CO -0.00 0.03 0.96 0.78 -1.64 0.00 0.00 178.16 178.29 3kbu h GLY 1637N 0.23 0.43 0.90 1.82 0.00 -0.99 0.31 103.07 105.78 3kbu h GLY 1637Ca -0.00 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.29 3kbu h GLY 1637CO 0.00 -0.10 0.13 3.21 0.00 0.00 0.00 176.54 179.79 3kbu h ARG 1638N 0.08 0.27 -0.50 4.80 3.08 -1.64 -1.60 114.38 118.86 3kbu h ARG 1638Ca 0.71 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.73 3kbu h ARG 1638Cb 2.57 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 32.54 3kbu h ARG 1638CO -0.13 0.18 0.29 -0.91 -1.07 0.00 0.00 179.97 178.33 3kbu h ASN 1639N 0.28 0.62 -0.27 7.04 4.21 -0.59 -0.69 115.58 126.17 3kbu h ASN 1639Ca 0.10 -0.07 0.02 0.00 1.21 0.00 0.00 56.30 57.56 3kbu h ASN 1639Cb 0.02 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.04 3kbu h ASN 1639CO -0.06 0.51 0.12 0.40 -1.29 0.00 0.00 177.43 177.10 3kbu h ILE 1640N 0.67 0.97 -0.32 2.81 1.08 -1.39 0.15 117.51 121.48 3kbu h ILE 1640Ca 0.18 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 3kbu h ILE 1640Cb 0.02 0.69 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 3kbu h ILE 1640CO -0.03 0.05 0.18 0.11 -0.69 0.00 0.00 178.15 177.76 3kbu h LYS 1641N 0.25 0.45 -0.75 2.37 1.57 -1.10 -0.73 116.57 118.64 3kbu h LYS 1641Ca 0.11 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3kbu h LYS 1641Cb 0.06 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3kbu h LYS 1641CO -0.10 0.38 0.44 1.96 -0.57 0.00 0.00 179.45 181.57 3kbu h GLN 1642N 0.40 0.79 -0.23 3.15 4.20 -0.69 0.16 115.11 122.90 3kbu h GLN 1642Ca 0.11 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3kbu h GLN 1642Cb 0.06 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3kbu h GLN 1642CO -0.02 0.52 0.14 -0.07 -0.67 0.00 0.00 178.83 178.74 3kbu h LEU 1643N 0.81 0.27 -0.32 1.46 3.38 -0.44 -0.89 115.31 119.57 3kbu h LEU 1643Ca 0.33 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3kbu h LEU 1643Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kbu h LEU 1643CO -0.17 0.23 0.17 0.00 0.09 0.00 0.00 178.44 178.75 3kbu h ALA 1644N 1.05 0.39 -0.82 1.53 0.00 -0.18 0.43 119.26 121.67 3kbu h ALA 1644Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kbu h ALA 1644Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3kbu h ALA 1644CO -0.02 -0.21 0.38 1.03 0.00 0.00 0.00 179.25 180.44 3kbu h SER 1645N 0.35 1.07 -0.46 0.00 0.87 -0.60 -1.21 113.55 113.57 3kbu h SER 1645Ca 0.13 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 3kbu h SER 1645Cb 0.03 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 3kbu h SER 1645CO -0.08 0.91 -0.08 0.03 -0.53 0.00 0.00 176.83 177.07 3kbu h ARG 1646N 1.16 0.91 -0.22 2.24 3.08 -0.59 -1.67 114.38 119.31 3kbu h ARG 1646Ca 0.28 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3kbu h ARG 1646Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3kbu h ARG 1646CO -0.03 0.96 -0.01 0.00 -1.07 0.00 0.00 179.97 179.81 3kbu h ALA 1647N 1.07 0.29 -0.73 0.04 0.00 -0.68 -1.31 119.26 117.95 3kbu h ALA 1647Ca 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3kbu h ALA 1647Cb 0.60 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3kbu h ALA 1647CO 0.04 0.03 0.48 0.37 0.00 0.00 0.00 179.25 180.17 3kbu h GLN 1648N 0.15 0.88 -0.17 0.00 5.75 -1.17 0.95 115.11 121.49 3kbu h GLN 1648Ca 0.06 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 3kbu h GLN 1648Cb 0.43 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3kbu h GLN 1648CO 0.01 0.58 0.07 0.78 -2.65 0.00 0.00 178.83 177.62 3kbu h GLY 1649N 0.90 0.28 0.98 2.39 0.00 -1.15 -0.40 103.07 106.07 3kbu h GLY 1649Ca 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3kbu h GLY 1649CO -0.08 0.15 0.27 1.41 0.00 0.00 0.00 176.54 178.28 3kbu h LEU 1650N 0.12 0.68 0.36 3.11 3.38 -0.02 -0.71 115.31 122.23 3kbu h LEU 1650Ca 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3kbu h LEU 1650Cb 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kbu h LEU 1650CO -0.00 0.60 -0.17 0.25 0.09 0.00 0.00 178.44 179.21 3kbu h LEU 1651N 0.70 -0.41 -2.18 1.67 5.85 -0.84 -2.87 115.31 117.24 3kbu h LEU 1651Ca 0.18 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3kbu h LEU 1651Cb 0.09 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3kbu h LEU 1651CO -0.03 -0.11 0.17 0.77 -0.34 0.00 0.00 178.44 178.91 3kbu h SER 1652N -0.71 0.00 0.00 1.25 4.64 -1.03 -0.05 113.55 117.64 3kbu h SER 1652Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3kbu h SER 1652Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3kbu h SER 1652CO 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3kbu n ALA 1653N -2.42 2.58 -1.20 5.18 0.00 -0.28 -4.91 120.51 119.46 3kbu n ALA 1653Ca 0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 3kbu n ALA 1653Cb 0.30 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 3kbu n ALA 1653CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbu n GLY 1654N 0.79 0.91 3.72 0.00 0.00 -0.03 -4.99 105.19 105.59 3kbu n GLY 1654Ca 0.18 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3kbu n GLY 1654CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kbu n HIS 1655N -2.78 2.63 -0.27 1.61 -0.00 -1.09 -4.89 115.22 110.43 3kbu n HIS 1655Ca -0.07 0.33 0.23 0.00 -0.00 0.00 0.00 57.72 58.21 3kbu n HIS 1655Cb 0.24 -2.54 0.56 0.00 -0.00 0.00 0.00 29.99 28.24 3kbu n HIS 1655CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kbu h PRO 1656N 4.41 0.31 -0.02 1.57 0.11 -1.94 -1.40 132.00 135.04 3kbu h PRO 1656Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kbu h PRO 1656Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3kbu h PRO 1656CO 0.77 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 179.15 3kbu n GLU 1657N -4.49 1.35 -0.28 1.05 4.71 -1.26 -4.55 120.64 117.17 3kbu n GLU 1657Ca 0.22 -0.51 0.16 0.00 -0.01 0.00 0.00 57.16 57.01 3kbu n GLU 1657Cb 0.84 -1.46 0.30 0.00 -1.01 0.00 0.00 31.44 30.11 3kbu n GLU 1657CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kbu n GLY 1658N 1.07 -1.01 0.17 0.62 0.00 -0.53 0.13 105.19 105.64 3kbu n GLY 1658Ca 0.20 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 3kbu n GLY 1658CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kbu h GLU 1659N 0.00 -0.29 0.18 1.61 4.81 -1.85 -1.03 114.58 118.01 3kbu h GLU 1659Ca 0.55 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.80 3kbu h GLU 1659Cb 1.23 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 3kbu h GLU 1659CO -0.75 -0.19 -0.13 0.37 -0.73 0.00 0.00 179.01 177.58 3kbu h GLN 1660N -0.30 -0.30 -0.40 1.92 4.15 0.68 -2.56 115.11 118.30 3kbu h GLN 1660Ca -0.00 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.46 3kbu h GLN 1660Cb 0.27 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3kbu h GLN 1660CO -0.01 -0.20 0.22 0.82 -1.93 0.00 0.00 178.83 177.73 3kbu h ILE 1661N -0.31 1.01 -0.77 2.39 2.04 -0.68 -1.60 117.51 119.59 3kbu h ILE 1661Ca -0.01 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3kbu h ILE 1661Cb 0.27 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3kbu h ILE 1661CO 0.00 0.08 0.34 0.40 0.00 0.00 0.00 178.15 178.97 3kbu h ILE 1662N 0.45 1.25 -0.44 -0.67 1.08 -1.18 -0.72 117.51 117.27 3kbu h ILE 1662Ca 0.17 -0.74 0.01 0.00 -0.39 0.00 0.00 64.86 63.90 3kbu h ILE 1662Cb 0.04 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 3kbu h ILE 1662CO -0.10 0.31 0.29 -0.09 -0.69 0.00 0.00 178.15 177.87 3kbu h ARG 1663N 1.11 0.56 -0.65 2.37 2.43 -1.05 0.11 114.38 119.26 3kbu h ARG 1663Ca 0.26 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3kbu h ARG 1663Cb 0.16 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3kbu h ARG 1663CO -0.03 0.37 0.29 -0.07 -1.51 0.00 0.00 179.97 179.02 3kbu h LEU 1664N 0.58 0.88 -0.65 3.80 3.38 -0.91 -1.85 115.31 120.54 3kbu h LEU 1664Ca 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3kbu h LEU 1664Cb -0.05 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3kbu h LEU 1664CO -0.04 0.79 0.19 -0.61 0.09 0.00 0.00 178.44 178.86 3kbu h GLN 1665N 0.91 1.01 -0.71 1.13 5.75 -0.89 -1.71 115.11 120.60 3kbu h GLN 1665Ca 0.22 -0.22 0.15 0.00 -0.15 0.00 0.00 58.65 58.65 3kbu h GLN 1665Cb 0.16 -0.14 -0.11 0.00 1.07 0.00 0.00 27.48 28.46 3kbu h GLN 1665CO -0.02 0.89 0.15 0.78 -2.65 0.00 0.00 178.83 177.98 3kbu h GLY 1666N 0.94 0.96 1.06 2.39 0.00 -0.11 -0.81 103.07 107.50 3kbu h GLY 1666Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 3kbu h GLY 1666CO -0.01 -0.19 -0.20 1.46 0.00 0.00 0.00 176.54 177.60 3kbu h GLN 1667N 0.25 0.91 -0.45 4.80 4.20 -0.81 -2.07 115.11 121.94 3kbu h GLN 1667Ca 0.40 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3kbu h GLN 1667Cb 0.66 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 3kbu h GLN 1667CO -0.50 1.05 0.25 0.28 -0.67 0.00 0.00 178.83 179.23 3kbu h VAL 1668N 0.74 1.16 -0.00 -0.54 2.07 -0.43 0.12 116.25 119.37 3kbu h VAL 1668Ca 0.10 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3kbu h VAL 1668Cb 0.77 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3kbu h VAL 1668CO 0.06 0.17 -0.08 0.44 0.02 0.00 0.00 177.57 178.18 3kbu h ASP 1669N 0.58 -0.23 0.19 0.57 3.32 -1.14 0.15 116.42 119.87 3kbu h ASP 1669Ca 0.16 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kbu h ASP 1669Cb 0.05 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3kbu h ASP 1669CO -0.03 -0.12 -0.20 0.50 -1.72 0.00 0.00 179.24 177.67 3kbu h LYS 1670N -0.14 -0.42 -0.57 3.56 3.64 -1.19 -0.42 116.57 121.03 3kbu h LYS 1670Ca 0.03 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3kbu h LYS 1670Cb 0.18 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 3kbu h LYS 1670CO -0.08 -0.28 0.30 0.45 -2.27 0.00 0.00 179.45 177.56 3kbu h HIS 1671N -0.44 0.77 -0.34 1.91 3.86 -0.83 -0.41 115.15 119.68 3kbu h HIS 1671Ca 0.00 -0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 3kbu h HIS 1671Cb 0.41 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3kbu h HIS 1671CO -0.16 0.55 -0.42 -0.92 0.86 0.00 0.00 177.93 177.85 3kbu h TYR 1672N 0.80 1.03 -0.66 2.45 3.20 -0.77 -0.38 116.97 122.65 3kbu h TYR 1672Ca 0.20 -0.32 -0.07 0.00 3.14 0.00 0.00 58.73 61.69 3kbu h TYR 1672Cb 0.04 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 3kbu h TYR 1672CO 0.01 1.12 0.14 0.00 -1.64 0.00 0.00 178.16 177.78 3kbu h ALA 1673N 0.83 0.87 -0.43 1.82 0.00 -0.32 -1.64 119.26 120.38 3kbu h ALA 1673Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kbu h ALA 1673Cb 1.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3kbu h ALA 1673CO 0.10 0.60 0.22 0.78 0.00 0.00 0.00 179.25 180.95 3kbu h GLY 1674N 0.99 0.59 0.59 0.00 0.00 -0.94 0.15 103.07 104.45 3kbu h GLY 1674Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.40 3kbu h GLY 1674CO 0.01 0.12 -0.21 -2.00 0.00 0.00 0.00 176.54 174.45 3kbu h LEU 1675N 0.45 -0.60 -1.67 3.11 5.85 -0.80 -0.36 115.31 121.28 3kbu h LEU 1675Ca 0.18 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.10 3kbu h LEU 1675Cb 0.08 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3kbu h LEU 1675CO -0.12 -0.29 0.43 0.11 -0.34 0.00 0.00 178.44 178.24 3kbu h LYS 1676N -0.37 0.34 -0.01 1.25 1.57 -0.53 -1.63 116.57 117.18 3kbu h LYS 1676Ca 0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kbu h LYS 1676Cb 0.41 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kbu h LYS 1676CO -0.15 0.22 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.52 3kbu h ASP 1677N 0.35 0.02 -0.95 0.86 3.32 0.52 -2.54 116.42 118.00 3kbu h ASP 1677Ca 0.30 -0.37 0.17 0.00 0.02 0.00 0.00 57.03 57.16 3kbu h ASP 1677Cb 0.72 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.16 3kbu h ASP 1677CO -0.08 0.38 0.55 0.58 -1.72 0.00 0.00 179.24 178.95 3kbu h VAL 1678N -0.35 0.72 -0.45 -1.35 2.07 -0.21 -1.40 116.25 115.29 3kbu h VAL 1678Ca 0.00 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 3kbu h VAL 1678Cb 0.37 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3kbu h VAL 1678CO 0.00 0.13 -0.26 0.00 0.02 0.00 0.00 177.57 177.47 3kbu h ALA 1679N 1.61 0.69 -0.41 1.67 0.00 -1.30 -2.01 119.26 119.50 3kbu h ALA 1679Ca 0.53 -0.41 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3kbu h ALA 1679Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kbu h ALA 1679CO -0.37 0.67 -0.21 0.00 0.00 0.00 0.00 179.25 179.35 3kbu h GLU 1681N 0.71 -0.56 -0.93 0.00 4.57 -1.12 0.50 114.58 117.74 3kbu h GLU 1681Ca 0.10 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.43 3kbu h GLU 1681Cb 0.73 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.36 3kbu h GLU 1681CO 0.06 -0.37 0.57 -0.09 -1.18 0.00 0.00 179.01 177.99 3kbu h ARG 1682N -0.59 0.88 -0.31 1.92 9.65 -1.29 -0.87 114.38 123.77 3kbu h ARG 1682Ca -0.06 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 3kbu h ARG 1682Cb 0.45 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.81 3kbu h ARG 1682CO 0.10 0.58 0.19 -0.22 2.80 0.00 0.00 179.97 183.42 3kbu h LYS 1683N 0.91 0.43 -0.76 0.20 3.64 -0.68 -0.56 116.57 119.76 3kbu h LYS 1683Ca 0.46 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.83 3kbu h LYS 1683Cb 0.45 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 3kbu h LYS 1683CO -0.26 0.33 0.47 -0.09 -2.27 0.00 0.00 179.45 177.64 3kbu h ARG 1684N 0.40 0.89 -0.35 1.90 2.43 -0.00 0.16 114.38 119.81 3kbu h ARG 1684Ca 0.11 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.07 3kbu h ARG 1684Cb 0.02 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3kbu h ARG 1684CO -0.02 0.59 -0.41 -0.22 -1.51 0.00 0.00 179.97 178.40 3kbu h LYS 1685N 0.92 0.86 -0.24 0.20 3.64 -0.86 -0.89 116.57 120.19 3kbu h LYS 1685Ca 0.31 -0.46 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 3kbu h LYS 1685Cb 0.04 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3kbu h LYS 1685CO -0.12 1.10 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.88 3kbu h LEU 1686N 0.69 0.60 -0.97 5.20 3.38 -0.64 -1.38 115.31 122.19 3kbu h LEU 1686Ca 0.05 -0.46 0.16 0.00 0.09 0.00 0.00 57.88 57.72 3kbu h LEU 1686Cb 0.99 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 3kbu h LEU 1686CO 0.10 0.94 0.58 -0.33 0.09 0.00 0.00 178.44 179.81 3kbu h GLU 1687N 0.27 0.79 -0.22 1.13 5.08 -0.55 0.83 114.58 121.91 3kbu h GLU 1687Ca 0.04 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3kbu h GLU 1687Cb 0.76 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3kbu h GLU 1687CO 0.05 0.52 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.60 3kbu h ASN 1688N 0.81 0.44 0.13 1.42 2.35 -0.84 0.71 115.58 120.60 3kbu h ASN 1688Ca 0.53 -0.39 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3kbu h ASN 1688Cb 0.71 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3kbu h ASN 1688CO -0.34 0.73 -0.25 0.24 -1.65 0.00 0.00 177.43 176.16 3kbu h MET 1689N 0.15 0.22 0.08 0.81 2.86 -0.75 0.26 114.93 118.55 3kbu h MET 1689Ca 0.05 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kbu h MET 1689Cb 0.55 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3kbu h MET 1689CO 0.03 0.47 -0.04 -0.92 1.06 0.00 0.00 176.91 177.51 3kbu h TYR 1690N 0.20 -0.10 -0.38 -0.22 3.20 -0.69 -2.75 116.97 116.23 3kbu h TYR 1690Ca 0.03 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3kbu h TYR 1690Cb 0.56 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3kbu h TYR 1690CO 0.01 0.30 0.26 0.45 -1.64 0.00 0.00 178.16 177.53 3kbu h HIS 1691N -0.52 0.46 -0.62 -3.82 3.86 -0.50 -0.60 115.15 113.42 3kbu h HIS 1691Ca -0.01 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3kbu h HIS 1691Cb 0.44 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 3kbu h HIS 1691CO 0.06 0.29 0.15 1.25 0.86 0.00 0.00 177.93 180.54 3kbu h LEU 1692N 0.50 0.90 -0.20 2.43 5.85 -0.46 0.93 115.31 125.26 3kbu h LEU 1692Ca 0.14 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3kbu h LEU 1692Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3kbu h LEU 1692CO -0.03 0.87 0.01 -0.26 -0.34 0.00 0.00 178.44 178.69 3kbu h PHE 1693N 0.92 0.37 -0.12 1.25 0.04 -0.86 -2.34 116.94 116.20 3kbu h PHE 1693Ca 0.20 -0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.95 3kbu h PHE 1693Cb 0.32 -0.10 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 3kbu h PHE 1693CO 0.02 0.53 -0.15 0.37 -0.60 0.00 0.00 178.31 178.48 3kbu h GLN 1694N 0.11 -0.19 -0.94 1.51 4.15 -0.85 -1.91 115.11 117.00 3kbu h GLN 1694Ca 0.06 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3kbu h GLN 1694Cb 0.37 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 3kbu h GLN 1694CO 0.01 -0.12 0.61 1.25 -1.93 0.00 0.00 178.83 178.64 3kbu h LEU 1695N -0.19 1.09 -0.92 -2.39 5.85 -0.78 0.16 115.31 118.13 3kbu h LEU 1695Ca 0.09 -0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 3kbu h LEU 1695Cb 0.32 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3kbu h LEU 1695CO -0.24 0.80 -0.46 0.50 -0.34 0.00 0.00 178.44 178.70 3kbu h LYS 1696N 1.28 0.00 -0.05 1.25 3.64 -0.85 0.02 116.57 121.85 3kbu h LYS 1696Ca 0.34 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 3kbu h LYS 1696Cb -0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3kbu h LYS 1696CO -0.07 0.46 -0.11 -0.09 -2.27 0.00 0.00 179.45 177.38 3kbu h ARG 1697N 0.00 0.16 -0.61 1.90 2.43 -0.60 -1.17 114.38 116.50 3kbu h ARG 1697Ca -0.00 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3kbu h ARG 1697Cb 0.94 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.45 3kbu h ARG 1697CO 0.06 0.69 0.33 0.93 -1.51 0.00 0.00 179.97 180.47 3kbu h GLU 1698N -0.35 0.60 -0.07 0.20 5.08 -0.70 -1.42 114.58 117.92 3kbu h GLU 1698Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3kbu h GLU 1698Cb 0.69 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3kbu h GLU 1698CO 0.02 0.39 -0.01 1.15 -1.00 0.00 0.00 179.01 179.56 3kbu h THR 1699N 0.61 1.29 -0.90 1.13 2.02 -1.03 -2.07 112.91 113.96 3kbu h THR 1699Ca 0.27 -0.90 0.07 0.00 0.77 0.00 0.00 66.41 66.61 3kbu h THR 1699Cb 0.16 1.76 -0.06 0.00 -1.74 0.00 0.00 68.15 68.27 3kbu h THR 1699CO -0.17 0.25 0.56 0.44 0.37 0.00 0.00 175.52 176.97 3kbu h ASP 1700N -0.20 0.88 -0.20 4.18 3.32 -0.92 0.30 116.42 123.78 3kbu h ASP 1700Ca 0.02 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3kbu h ASP 1700Cb 0.40 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3kbu h ASP 1700CO 0.01 0.56 0.07 0.44 -1.72 0.00 0.00 179.24 178.59 3kbu h ASP 1701N 1.01 0.28 -0.71 6.45 3.32 -1.08 -0.72 116.42 124.97 3kbu h ASP 1701Ca 0.40 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3kbu h ASP 1701Cb 0.20 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 3kbu h ASP 1701CO -0.18 0.38 0.33 0.25 -1.72 0.00 0.00 179.24 178.31 3kbu h LEU 1702N 0.16 0.94 -0.81 1.55 5.85 -1.15 0.10 115.31 121.94 3kbu h LEU 1702Ca 0.06 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.53 3kbu h LEU 1702Cb 0.20 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3kbu h LEU 1702CO -0.00 0.81 -0.35 -0.33 -0.34 0.00 0.00 178.44 178.22 3kbu h GLU 1703N 0.99 0.48 -0.56 1.25 5.08 -0.72 -0.43 114.58 120.67 3kbu h GLU 1703Ca 0.24 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 3kbu h GLU 1703Cb 0.13 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kbu h GLU 1703CO -0.03 0.77 0.16 0.37 -1.00 0.00 0.00 179.01 179.28 3kbu h GLN 1704N 0.40 0.88 -0.14 2.33 5.75 -0.73 -1.19 115.11 122.42 3kbu h GLN 1704Ca 0.04 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.37 3kbu h GLN 1704Cb 0.81 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 3kbu h GLN 1704CO 0.07 0.81 -0.02 2.35 -2.65 0.00 0.00 178.83 179.39 3kbu h TRP 1705N 0.79 -0.04 -0.52 3.99 7.01 -0.67 -0.96 115.95 125.54 3kbu h TRP 1705Ca 0.18 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.27 3kbu h TRP 1705Cb 0.31 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.34 3kbu h TRP 1705CO 0.02 -0.04 0.16 0.82 -2.79 0.00 0.00 178.44 176.62 3kbu h ILE 1706N 0.02 0.78 -0.96 2.65 2.04 -0.86 -0.60 117.51 120.58 3kbu h ILE 1706Ca 0.06 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.88 3kbu h ILE 1706Cb 0.09 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 3kbu h ILE 1706CO -0.12 0.06 0.61 0.28 0.00 0.00 0.00 178.15 178.98 3kbu h SER 1707N 0.33 0.96 -0.37 1.72 0.02 -0.41 0.62 113.55 116.42 3kbu h SER 1707Ca 0.26 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 3kbu h SER 1707Cb 0.31 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3kbu h SER 1707CO -0.28 0.60 0.17 -0.33 -1.14 0.00 0.00 176.83 175.85 3kbu h GLU 1708N 1.09 0.54 -0.51 3.45 5.08 -0.19 -2.48 114.58 121.56 3kbu h GLU 1708Ca 0.43 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3kbu h GLU 1708Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3kbu h GLU 1708CO -0.19 0.50 0.15 0.87 -1.00 0.00 0.00 179.01 179.34 3kbu h LYS 1709N 0.46 0.76 -0.50 2.33 1.79 -0.05 -2.48 116.57 118.88 3kbu h LYS 1709Ca 0.13 -0.13 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 3kbu h LYS 1709Cb 0.14 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.61 3kbu h LYS 1709CO -0.01 0.66 0.17 0.93 -1.08 0.00 0.00 179.45 180.12 3kbu h GLU 1710N 0.74 0.33 -0.86 3.15 5.08 -0.61 -1.89 114.58 120.52 3kbu h GLU 1710Ca 0.17 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 3kbu h GLU 1710Cb 0.23 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 3kbu h GLU 1710CO -0.01 0.22 0.56 1.25 -1.00 0.00 0.00 179.01 180.03 3kbu h LEU 1711N 0.34 0.63 -0.13 1.33 5.85 -1.00 0.94 115.31 123.27 3kbu h LEU 1711Ca 0.24 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 3kbu h LEU 1711Cb 0.26 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3kbu h LEU 1711CO -0.25 0.33 -0.16 0.58 -0.34 0.00 0.00 178.44 178.60 3kbu h VAL 1712N 0.68 1.36 0.00 1.05 2.07 -1.26 -2.91 116.25 117.23 3kbu h VAL 1712Ca 0.42 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3kbu h VAL 1712Cb 0.68 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3kbu h VAL 1712CO -0.18 0.40 -0.04 0.00 0.02 0.00 0.00 177.57 177.76 3kbu h ALA 1713N 0.58 1.84 0.00 1.67 0.00 -0.72 -2.74 119.26 119.89 3kbu h ALA 1713Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kbu h ALA 1713Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kbu h ALA 1713CO 0.04 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.21 3kbu n SER 1714N -4.36 0.00 -4.52 0.00 3.41 0.22 -4.80 113.62 103.58 3kbu n SER 1714Ca -0.03 -0.20 -0.56 0.00 -0.26 0.00 0.00 58.87 57.82 3kbu n SER 1714Cb 0.12 -0.27 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 3kbu n SER 1714CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kbu n SER 1715N -1.27 0.43 -0.32 4.04 2.88 -1.04 -4.85 113.62 113.50 3kbu n SER 1715Ca 0.15 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.97 3kbu n SER 1715Cb 0.23 -1.01 0.46 0.00 -0.75 0.00 0.00 64.21 63.14 3kbu n SER 1715CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3kbu n PRO 1716N 1.75 1.13 -1.74 -1.46 -0.04 -1.26 -4.96 135.00 128.43 3kbu n PRO 1716Ca 0.19 -0.64 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 3kbu n PRO 1716Cb 0.13 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.07 3kbu n PRO 1716CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kbu s GLU 1717N -2.31 4.14 -0.00 0.54 2.56 -1.26 -4.92 118.70 117.45 3kbu s GLU 1717Ca 0.30 2.57 0.09 0.00 0.00 0.00 0.00 54.97 57.93 3kbu s GLU 1717Cb 0.20 -3.53 -0.11 0.00 2.00 0.00 0.00 34.13 32.69 3kbu s GLU 1717CO 0.45 -0.82 0.32 -1.33 -0.56 0.00 0.00 175.26 173.32 3kbu n MET 1718N 5.47 3.03 0.00 4.30 2.81 -1.26 -4.99 117.12 126.48 3kbu n MET 1718Ca 0.17 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 3kbu n MET 1718Cb 0.38 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 3kbu n MET 1718CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kbu n GLY 1719N 1.43 2.53 0.13 3.03 0.00 -1.26 -4.72 105.19 106.32 3kbu n GLY 1719Ca 0.01 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.69 3kbu n GLY 1719CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kbu h GLN 1720N 0.00 0.00 -3.17 1.61 3.07 -1.99 -3.47 115.11 111.16 3kbu h GLN 1720Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3kbu h GLN 1720Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.52 3kbu h GLN 1720CO 0.00 0.43 0.16 0.16 0.09 0.00 0.00 178.83 179.67 3kbu s ASP 1721N -6.30 -0.08 0.23 0.06 1.47 -1.26 -5.04 116.67 105.75 3kbu s ASP 1721Ca 0.03 -0.88 -0.07 0.00 1.18 0.00 0.00 52.55 52.81 3kbu s ASP 1721Cb 0.08 0.74 0.38 0.00 -0.34 0.00 0.00 42.92 43.78 3kbu s ASP 1721CO 0.75 -1.42 1.70 0.15 0.68 0.00 0.00 175.17 177.03 3kbu h PHE 1722N 2.05 0.26 -0.84 2.11 3.57 -1.92 -0.20 116.94 121.96 3kbu h PHE 1722Ca -0.25 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.34 3kbu h PHE 1722Cb 1.25 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.93 3kbu h PHE 1722CO 0.78 -0.05 0.55 -0.44 -2.23 0.00 0.00 178.31 176.92 3kbu h ASP 1723N 0.28 0.87 -0.04 0.41 3.32 -1.98 -1.35 116.42 117.91 3kbu h ASP 1723Ca 0.37 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 3kbu h ASP 1723Cb 0.59 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3kbu h ASP 1723CO -0.45 0.58 -0.26 -0.74 -1.72 0.00 0.00 179.24 176.65 3kbu h HIS 1724N 1.00 0.35 -0.37 4.55 2.76 -1.65 -2.87 115.15 118.92 3kbu h HIS 1724Ca 0.34 -0.16 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 3kbu h HIS 1724Cb 0.10 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 3kbu h HIS 1724CO -0.00 0.89 -0.00 -0.24 -1.30 0.00 0.00 177.93 177.28 3kbu h VAL 1725N -0.29 1.21 -0.44 5.26 3.04 -0.94 0.38 116.25 124.47 3kbu h VAL 1725Ca -0.02 -0.85 0.05 0.00 -1.01 0.00 0.00 66.70 64.87 3kbu h VAL 1725Cb 0.93 0.93 -0.04 0.00 -2.01 0.00 0.00 31.29 31.10 3kbu h VAL 1725CO 0.05 0.29 0.18 0.74 -1.01 0.00 0.00 177.57 177.83 3kbu h THR 1726N 0.56 0.91 -0.18 3.17 2.02 -1.23 0.19 112.91 118.34 3kbu h THR 1726Ca 0.12 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 3kbu h THR 1726Cb 0.36 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3kbu h THR 1726CO 0.01 0.07 -0.20 0.25 0.37 0.00 0.00 175.52 176.02 3kbu h LEU 1727N 0.37 0.49 -0.12 2.58 5.85 -1.15 -0.88 115.31 122.45 3kbu h LEU 1727Ca 0.20 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3kbu h LEU 1727Cb 0.15 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3kbu h LEU 1727CO -0.17 0.88 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.69 3kbu h LEU 1728N 0.11 -0.15 -0.33 2.25 3.38 0.18 -0.35 115.31 120.41 3kbu h LEU 1728Ca 0.03 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3kbu h LEU 1728Cb 0.75 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 3kbu h LEU 1728CO 0.05 -0.06 0.01 -0.09 0.09 0.00 0.00 178.44 178.44 3kbu h ARG 1729N -0.02 0.11 -0.49 1.13 2.43 -0.63 -1.20 114.38 115.70 3kbu h ARG 1729Ca 0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3kbu h ARG 1729Cb 0.12 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3kbu h ARG 1729CO -0.14 0.07 0.29 -0.44 -1.51 0.00 0.00 179.97 178.24 3kbu h ASP 1730N 0.11 0.60 -0.89 -3.80 3.32 -0.67 -1.52 116.42 113.57 3kbu h ASP 1730Ca 0.16 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 3kbu h ASP 1730Cb 0.21 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 3kbu h ASP 1730CO -0.26 0.49 0.47 0.11 -1.72 0.00 0.00 179.24 178.34 3kbu h LYS 1731N 0.66 1.25 0.00 3.56 1.57 -0.89 -2.16 116.57 120.56 3kbu h LYS 1731Ca 0.18 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3kbu h LYS 1731Cb 0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3kbu h LYS 1731CO -0.03 0.93 -0.42 0.35 -0.57 0.00 0.00 179.45 179.71 3kbu h PHE 1732N 1.25 0.00 -0.34 -1.35 3.57 -0.73 0.49 116.94 119.84 3kbu h PHE 1732Ca 0.31 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.65 3kbu h PHE 1732Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 3kbu h PHE 1732CO 0.01 0.42 -0.42 -0.09 -2.23 0.00 0.00 178.31 176.00 3kbu h ARG 1733N 0.00 0.88 -0.30 1.11 2.43 -0.82 0.20 114.38 117.88 3kbu h ARG 1733Ca -0.00 -0.49 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 3kbu h ARG 1733Cb 0.98 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 3kbu h ARG 1733CO 0.05 1.14 0.15 -0.44 -1.51 0.00 0.00 179.97 179.36 3kbu h ASP 1734N 0.68 0.23 -0.64 -3.80 3.32 -1.13 -2.12 116.42 112.95 3kbu h ASP 1734Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kbu h ASP 1734Cb 1.01 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 3kbu h ASP 1734CO 0.10 0.17 0.38 0.15 -1.72 0.00 0.00 179.24 178.33 3kbu h PHE 1735N 0.32 0.85 -0.24 4.55 3.57 -0.71 -2.32 116.94 122.95 3kbu h PHE 1735Ca 0.12 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3kbu h PHE 1735Cb 0.03 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 3kbu h PHE 1735CO -0.09 0.58 0.08 0.00 -2.23 0.00 0.00 178.31 176.64 3kbu h ALA 1736N 1.20 0.26 -0.24 2.41 0.00 -0.36 -0.82 119.26 121.70 3kbu h ALA 1736Ca 0.23 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3kbu h ALA 1736Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kbu h ALA 1736CO -0.04 -0.34 -0.07 -0.09 0.00 0.00 0.00 179.25 178.71 3kbu h ARG 1737N 0.18 0.48 -0.26 0.00 2.43 -1.22 -0.39 114.38 115.60 3kbu h ARG 1737Ca 0.10 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 3kbu h ARG 1737Cb 0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3kbu h ARG 1737CO -0.11 0.71 -0.10 0.93 -1.51 0.00 0.00 179.97 179.89 3kbu h GLU 1738N 0.22 0.53 -0.63 0.20 5.08 -1.42 -0.11 114.58 118.45 3kbu h GLU 1738Ca 0.06 -0.22 0.06 0.00 -1.00 0.00 0.00 59.36 58.27 3kbu h GLU 1738Cb 0.54 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 3kbu h GLU 1738CO 0.03 0.76 0.33 1.15 -1.00 0.00 0.00 179.01 180.28 3kbu h THR 1739N 0.26 0.93 -0.16 1.13 2.02 -1.12 -0.81 112.91 115.16 3kbu h THR 1739Ca 0.06 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3kbu h THR 1739Cb 0.59 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3kbu h THR 1739CO 0.03 0.11 0.06 1.23 0.37 0.00 0.00 175.52 177.33 3kbu h GLY 1740N 0.60 0.25 0.94 2.16 0.00 -0.92 0.16 103.07 106.26 3kbu h GLY 1740Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3kbu h GLY 1740CO -0.20 0.13 -0.21 0.00 0.00 0.00 0.00 176.54 176.26 3kbu h ALA 1741N 0.91 -0.58 -0.55 3.60 0.00 -0.58 -1.19 119.26 120.87 3kbu h ALA 1741Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3kbu h ALA 1741Cb 0.17 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kbu h ALA 1741CO -0.00 -0.79 0.19 0.82 0.00 0.00 0.00 179.25 179.47 3kbu h ILE 1742N -0.65 1.23 -0.07 0.00 2.04 -1.22 -2.69 117.51 116.15 3kbu h ILE 1742Ca -0.06 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3kbu h ILE 1742Cb 0.48 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3kbu h ILE 1742CO 0.10 0.28 0.03 1.23 0.00 0.00 0.00 178.15 179.79 3kbu h GLY 1743N 0.75 0.11 1.15 5.37 0.00 -0.65 -2.67 103.07 107.14 3kbu h GLY 1743Ca 0.18 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.48 3kbu h GLY 1743CO -0.01 0.05 0.51 -1.61 0.00 0.00 0.00 176.54 175.48 3kbu h GLN 1744N -0.02 0.92 -0.39 4.80 5.75 -1.15 -0.02 115.11 125.00 3kbu h GLN 1744Ca 0.02 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 3kbu h GLN 1744Cb 0.13 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3kbu h GLN 1744CO -0.00 0.61 0.05 1.49 -2.65 0.00 0.00 178.83 178.33 3kbu h GLU 1745N 0.95 0.66 0.03 1.69 4.81 -1.35 -1.45 114.58 119.93 3kbu h GLU 1745Ca 0.30 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kbu h GLU 1745Cb 0.02 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3kbu h GLU 1745CO -0.08 0.72 -0.02 0.00 -0.73 0.00 0.00 179.01 178.90 3kbu h ARG 1746N 0.50 -0.04 -0.77 1.92 3.08 -0.99 -1.82 114.38 116.26 3kbu h ARG 1746Ca 0.12 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.27 3kbu h ARG 1746Cb 0.39 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 3kbu h ARG 1746CO 0.01 0.15 0.41 0.28 -1.07 0.00 0.00 179.97 179.75 3kbu h VAL 1747N -0.24 0.84 -0.58 2.04 2.07 -1.05 -2.13 116.25 117.20 3kbu h VAL 1747Ca -0.00 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3kbu h VAL 1747Cb 0.22 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3kbu h VAL 1747CO 0.01 0.12 0.37 0.44 0.02 0.00 0.00 177.57 178.52 3kbu h ASP 1748N 0.67 0.61 -0.44 0.57 3.32 -0.93 0.18 116.42 120.40 3kbu h ASP 1748Ca 0.39 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.34 3kbu h ASP 1748Cb 0.42 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3kbu h ASP 1748CO -0.28 0.43 -0.08 0.78 -1.72 0.00 0.00 179.24 178.37 3kbu h ASN 1749N 0.73 0.87 -0.24 6.45 2.35 -0.76 -1.13 115.58 123.86 3kbu h ASN 1749Ca 0.23 -0.26 -0.18 0.00 -0.55 0.00 0.00 56.30 55.54 3kbu h ASN 1749Cb -0.02 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 3kbu h ASN 1749CO -0.08 0.98 -0.54 0.58 -1.65 0.00 0.00 177.43 176.72 3kbu h VAL 1750N 0.80 1.28 -0.14 2.81 2.07 -1.10 0.14 116.25 122.12 3kbu h VAL 1750Ca 0.14 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 65.93 3kbu h VAL 1750Cb 0.59 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3kbu h VAL 1750CO 0.04 0.56 0.07 0.78 0.02 0.00 0.00 177.57 179.04 3kbu h ASN 1751N 0.64 0.10 -0.81 0.57 2.35 -0.83 -0.21 115.58 117.38 3kbu h ASN 1751Ca 0.02 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3kbu h ASN 1751Cb 1.14 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 3kbu h ASN 1751CO 0.12 0.08 0.42 0.00 -1.65 0.00 0.00 177.43 176.40 3kbu h ALA 1752N 1.07 1.04 0.11 -0.83 0.00 -0.99 0.31 119.26 119.98 3kbu h ALA 1752Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kbu h ALA 1752Cb 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3kbu h ALA 1752CO -0.04 0.58 -0.08 0.35 0.00 0.00 0.00 179.25 180.06 3kbu h PHE 1753N 1.14 -0.20 -0.52 0.00 3.57 -0.53 -0.86 116.94 119.54 3kbu h PHE 1753Ca 0.28 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.85 3kbu h PHE 1753Cb 0.07 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.83 3kbu h PHE 1753CO 0.01 -0.13 0.18 0.82 -2.23 0.00 0.00 178.31 176.96 3kbu h ILE 1754N -0.20 0.81 -0.59 1.41 2.04 -0.61 -1.74 117.51 118.63 3kbu h ILE 1754Ca -0.01 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3kbu h ILE 1754Cb 0.17 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3kbu h ILE 1754CO 0.00 0.06 0.30 -0.33 0.00 0.00 0.00 178.15 178.18 3kbu h GLU 1755N 0.35 0.85 -0.92 2.37 4.39 -0.62 0.09 114.58 121.09 3kbu h GLU 1755Ca 0.25 -0.12 0.06 0.00 0.34 0.00 0.00 59.36 59.89 3kbu h GLU 1755Cb 0.28 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.71 3kbu h GLU 1755CO -0.26 0.67 0.58 0.00 -1.16 0.00 0.00 179.01 178.85 3kbu h ARG 1756N 0.81 1.04 0.23 2.33 3.08 -0.77 0.43 114.38 121.52 3kbu h ARG 1756Ca 0.21 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3kbu h ARG 1756Cb 0.09 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3kbu h ARG 1756CO -0.03 0.69 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.38 3kbu h LEU 1757N 1.07 -0.27 -0.41 3.04 3.38 -0.81 -1.16 115.31 120.15 3kbu h LEU 1757Ca 0.39 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 58.20 3kbu h LEU 1757Cb 0.15 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3kbu h LEU 1757CO -0.17 0.10 0.14 0.40 0.09 0.00 0.00 178.44 179.00 3kbu h ILE 1758N -0.67 0.87 -0.31 1.22 2.04 -0.49 -1.19 117.51 118.99 3kbu h ILE 1758Ca -0.03 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 3kbu h ILE 1758Cb 0.47 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3kbu h ILE 1758CO 0.05 0.05 -0.12 0.44 0.00 0.00 0.00 178.15 178.57 3kbu h ASP 1759N 0.30 0.51 1.27 1.72 3.32 -0.19 -1.50 116.42 121.85 3kbu h ASP 1759Ca 0.19 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kbu h ASP 1759Cb 0.18 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3kbu h ASP 1759CO -0.20 0.67 0.00 0.00 -1.72 0.00 0.00 179.24 177.99 3kbu h ALA 1760N 1.38 1.00 -0.31 3.45 0.00 -0.67 -3.48 119.26 120.62 3kbu h ALA 1760Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kbu h ALA 1760Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kbu h ALA 1760CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 3kbu n GLY 1761N 0.38 -0.04 3.35 0.00 0.00 -0.50 -5.08 105.19 103.31 3kbu n GLY 1761Ca 0.02 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 3kbu n GLY 1761CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kbu s HIS 1762N 0.00 -0.85 0.50 1.61 5.04 -1.26 -4.96 115.29 115.38 3kbu s HIS 1762Ca 0.00 1.63 0.25 0.00 -1.54 0.00 0.00 55.06 55.40 3kbu s HIS 1762Cb 0.00 0.39 1.36 0.00 0.04 0.00 0.00 32.58 34.38 3kbu s HIS 1762CO 0.00 -0.48 1.74 0.66 -2.34 0.00 0.00 174.74 174.33 3kbu h SER 1763N 7.77 0.00 -0.23 9.88 4.64 -1.99 -2.28 113.55 131.34 3kbu h SER 1763Ca -0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.08 3kbu h SER 1763Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3kbu h SER 1763CO 0.17 0.00 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.50 3kbu n GLU 1764N -2.67 2.64 -0.27 4.77 -0.58 -1.26 -4.79 120.64 118.47 3kbu n GLU 1764Ca -0.02 -2.84 0.09 0.00 -0.42 0.00 0.00 57.16 53.97 3kbu n GLU 1764Cb 0.38 -1.80 0.23 0.00 -0.57 0.00 0.00 31.44 29.68 3kbu n GLU 1764CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kbu h ALA 1765N 1.52 1.14 -0.52 0.62 0.00 -1.82 -1.14 119.26 119.06 3kbu h ALA 1765Ca 0.02 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3kbu h ALA 1765Cb 1.41 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 3kbu h ALA 1765CO 0.21 -0.35 0.30 0.00 0.00 0.00 0.00 179.25 179.41 3kbu h ALA 1766N 1.66 0.67 0.02 0.00 0.00 -1.87 0.30 119.26 120.03 3kbu h ALA 1766Ca 0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 3kbu h ALA 1766Cb 0.86 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3kbu h ALA 1766CO -0.54 -0.01 -0.01 1.15 0.00 0.00 0.00 179.25 179.84 3kbu h THR 1767N 0.59 1.21 -0.50 0.00 2.02 -1.75 -2.10 112.91 112.38 3kbu h THR 1767Ca 0.22 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.79 3kbu h THR 1767Cb 0.06 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 3kbu h THR 1767CO -0.11 0.18 0.06 0.40 0.37 0.00 0.00 175.52 176.42 3kbu h ILE 1768N -0.33 0.68 -0.86 3.11 2.04 -0.98 -0.29 117.51 120.89 3kbu h ILE 1768Ca -0.00 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3kbu h ILE 1768Cb 0.31 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 3kbu h ILE 1768CO 0.00 0.03 0.57 0.00 0.00 0.00 0.00 178.15 178.76 3kbu h ALA 1769N 1.41 1.44 -0.77 1.87 0.00 -0.84 0.01 119.26 122.37 3kbu h ALA 1769Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kbu h ALA 1769Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kbu h ALA 1769CO -0.36 0.49 0.32 1.49 0.00 0.00 0.00 179.25 181.20 3kbu h GLU 1770N 1.11 1.13 -0.57 0.00 4.81 -0.40 -0.22 114.58 120.44 3kbu h GLU 1770Ca 0.33 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3kbu h GLU 1770Cb -0.03 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3kbu h GLU 1770CO -0.09 0.90 0.11 -1.49 -0.73 0.00 0.00 179.01 177.71 3kbu h TRP 1771N 1.11 0.98 -0.27 0.92 6.55 -0.21 -2.38 115.95 122.65 3kbu h TRP 1771Ca 0.26 -0.13 0.01 0.00 0.95 0.00 0.00 58.89 59.98 3kbu h TRP 1771Cb 0.18 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.20 3kbu h TRP 1771CO 0.02 0.85 0.17 -0.22 -1.05 0.00 0.00 178.44 178.21 3kbu h LYS 1772N 0.83 0.34 -0.22 0.49 3.64 -0.22 0.66 116.57 122.09 3kbu h LYS 1772Ca 0.18 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3kbu h LYS 1772Cb 0.39 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3kbu h LYS 1772CO 0.01 0.22 -0.10 -0.44 -2.27 0.00 0.00 179.45 176.88 3kbu h ASP 1773N 0.35 -0.32 -0.35 4.20 3.32 -1.01 0.45 116.42 123.05 3kbu h ASP 1773Ca 0.10 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.29 3kbu h ASP 1773Cb -0.03 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3kbu h ASP 1773CO -0.03 -0.13 0.05 1.23 -1.72 0.00 0.00 179.24 178.64 3kbu h GLY 1774N -0.06 0.39 0.91 2.75 0.00 -1.15 -0.33 103.07 105.58 3kbu h GLY 1774Ca 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3kbu h GLY 1774CO -0.26 -0.04 -0.07 -2.00 0.00 0.00 0.00 176.54 174.16 3kbu h LEU 1775N 0.16 -0.17 -1.33 3.11 5.85 -0.59 -1.70 115.31 120.63 3kbu h LEU 1775Ca 0.17 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.83 3kbu h LEU 1775Cb 0.21 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3kbu h LEU 1775CO -0.24 -0.04 0.45 0.78 -0.34 0.00 0.00 178.44 179.05 3kbu h ASN 1776N -0.29 0.78 -0.49 1.25 2.35 -0.67 -1.91 115.58 116.60 3kbu h ASN 1776Ca -0.02 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 3kbu h ASN 1776Cb 0.23 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 3kbu h ASN 1776CO 0.03 0.57 -0.05 -0.33 -1.65 0.00 0.00 177.43 176.00 3kbu h GLU 1777N 0.92 0.94 -0.61 0.81 5.08 -0.82 -1.30 114.58 119.62 3kbu h GLU 1777Ca 0.25 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3kbu h GLU 1777Cb -0.11 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 3kbu h GLU 1777CO -0.05 0.96 0.33 0.52 -1.00 0.00 0.00 179.01 179.77 3kbu h MET 1778N 0.86 0.85 -0.23 2.33 2.86 -0.78 0.10 114.93 120.92 3kbu h MET 1778Ca 0.15 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3kbu h MET 1778Cb 0.58 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3kbu h MET 1778CO 0.03 0.64 0.09 2.35 1.06 0.00 0.00 176.91 181.09 3kbu h TRP 1779N 0.82 0.35 -0.42 -0.22 -0.00 -1.16 0.61 115.95 115.94 3kbu h TRP 1779Ca 0.21 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.08 3kbu h TRP 1779Cb 0.05 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.08 3kbu h TRP 1779CO -0.01 0.39 0.28 0.00 -0.00 0.00 0.00 178.44 179.09 3kbu h ALA 1780N 0.93 0.53 -0.53 2.65 0.00 -0.80 -1.17 119.26 120.87 3kbu h ALA 1780Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kbu h ALA 1780Cb 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3kbu h ALA 1780CO -0.01 -0.01 0.24 -0.44 0.00 0.00 0.00 179.25 179.04 3kbu h ASP 1781N 0.57 0.31 0.24 0.00 3.32 -0.78 -1.67 116.42 118.42 3kbu h ASP 1781Ca 0.15 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3kbu h ASP 1781Cb -0.06 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3kbu h ASP 1781CO -0.03 0.21 -0.16 0.25 -1.72 0.00 0.00 179.24 177.79 3kbu h LEU 1782N 0.46 -0.41 -1.10 1.55 5.85 -0.28 -0.76 115.31 120.62 3kbu h LEU 1782Ca 0.25 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.11 3kbu h LEU 1782Cb 0.21 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 3kbu h LEU 1782CO -0.20 -0.26 0.61 -0.07 -0.34 0.00 0.00 178.44 178.18 3kbu h LEU 1783N -0.40 0.86 -0.38 2.25 3.38 -0.88 0.18 115.31 120.33 3kbu h LEU 1783Ca -0.02 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3kbu h LEU 1783Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3kbu h LEU 1783CO 0.01 0.47 -0.06 -0.08 0.09 0.00 0.00 178.44 178.88 3kbu h GLU 1784N 0.93 0.71 -0.62 1.13 4.81 -0.95 -1.05 114.58 119.54 3kbu h GLU 1784Ca 0.47 -0.26 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3kbu h GLU 1784Cb 0.49 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3kbu h GLU 1784CO -0.23 0.84 0.37 -0.07 -0.73 0.00 0.00 179.01 179.19 3kbu h LEU 1785N 0.52 0.75 -0.52 1.64 3.38 0.49 0.22 115.31 121.79 3kbu h LEU 1785Ca 0.10 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 3kbu h LEU 1785Cb 0.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3kbu h LEU 1785CO 0.03 0.58 -0.46 0.40 0.09 0.00 0.00 178.44 179.09 3kbu h ILE 1786N 0.86 1.30 -0.46 1.22 2.04 -0.51 -2.64 117.51 119.32 3kbu h ILE 1786Ca 0.22 -1.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.39 3kbu h ILE 1786Cb -0.02 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3kbu h ILE 1786CO -0.04 0.53 0.10 -0.78 0.00 0.00 0.00 178.15 177.95 3kbu h ASP 1787N 0.55 0.71 0.32 1.72 3.58 0.45 -2.16 116.42 121.60 3kbu h ASP 1787Ca 0.03 -0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.14 3kbu h ASP 1787Cb 1.00 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 3kbu h ASP 1787CO 0.09 0.77 -0.41 0.71 -2.88 0.00 0.00 179.24 177.53 3kbu h THR 1788N 0.62 1.30 -0.57 2.25 1.35 -0.62 -1.38 112.91 115.87 3kbu h THR 1788Ca 0.14 -1.46 -0.08 0.00 -0.55 0.00 0.00 66.41 64.46 3kbu h THR 1788Cb 0.35 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 3kbu h THR 1788CO 0.00 0.43 0.04 -0.09 -0.25 0.00 0.00 175.52 175.65 3kbu h ARG 1789N 0.10 0.95 -0.31 4.72 9.65 -1.33 0.20 114.38 128.36 3kbu h ARG 1789Ca 0.01 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3kbu h ARG 1789Cb 0.77 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 3kbu h ARG 1789CO 0.06 0.92 0.20 1.98 2.80 0.00 0.00 179.97 185.93 3kbu h MET 1790N 0.89 0.41 -0.84 0.20 4.05 -0.70 -0.44 114.93 118.51 3kbu h MET 1790Ca 0.17 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3kbu h MET 1790Cb 0.47 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.14 3kbu h MET 1790CO 0.02 0.28 0.43 1.96 0.23 0.00 0.00 176.91 179.83 3kbu h GLN 1791N 0.41 1.18 0.03 0.39 4.20 -0.88 -0.16 115.11 120.29 3kbu h GLN 1791Ca 0.11 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3kbu h GLN 1791Cb -0.03 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.52 3kbu h GLN 1791CO -0.02 0.89 -0.01 1.25 -0.67 0.00 0.00 178.83 180.26 3kbu h LEU 1792N 1.18 -0.03 -0.80 1.46 5.85 -0.25 -1.54 115.31 121.17 3kbu h LEU 1792Ca 0.29 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.99 3kbu h LEU 1792Cb 0.08 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3kbu h LEU 1792CO -0.04 0.03 0.52 -0.07 -0.34 0.00 0.00 178.44 178.53 3kbu h LEU 1793N -0.09 0.86 -1.01 2.25 3.38 -0.80 -1.71 115.31 118.20 3kbu h LEU 1793Ca -0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kbu h LEU 1793Cb 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 3kbu h LEU 1793CO 0.01 0.60 0.66 0.00 0.09 0.00 0.00 178.44 179.80 3kbu h ALA 1794N 1.33 1.34 -0.21 1.53 0.00 -0.73 0.42 119.26 122.95 3kbu h ALA 1794Ca 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3kbu h ALA 1794Cb -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3kbu h ALA 1794CO -0.10 0.54 0.10 0.00 0.00 0.00 0.00 179.25 179.79 3kbu h ALA 1795N 1.42 0.26 -0.87 0.00 0.00 -0.66 -1.13 119.26 118.28 3kbu h ALA 1795Ca 0.41 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.25 3kbu h ALA 1795Cb 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3kbu h ALA 1795CO -0.13 -0.18 0.57 1.03 0.00 0.00 0.00 179.25 180.54 3kbu h SER 1796N 0.20 0.97 -0.79 0.00 0.87 -0.25 -1.76 113.55 112.80 3kbu h SER 1796Ca 0.07 -0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3kbu h SER 1796Cb 0.11 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 3kbu h SER 1796CO -0.01 0.69 0.49 0.22 -0.53 0.00 0.00 176.83 177.69 3kbu h TYR 1797N 1.14 0.91 -0.59 2.24 3.20 0.43 -1.72 116.97 122.59 3kbu h TYR 1797Ca 0.33 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 3kbu h TYR 1797Cb -0.08 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.88 3kbu h TYR 1797CO -0.01 0.49 0.02 -0.44 -1.64 0.00 0.00 178.16 176.58 3kbu h ASP 1798N 0.92 0.97 -0.01 -2.11 5.19 -0.39 0.32 116.42 121.32 3kbu h ASP 1798Ca 0.33 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3kbu h ASP 1798Cb 0.09 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 3kbu h ASP 1798CO -0.14 1.02 0.00 0.25 -3.12 0.00 0.00 179.24 177.25 3kbu h LEU 1799N 0.93 0.01 -0.90 1.55 5.85 -1.00 -0.53 115.31 121.22 3kbu h LEU 1799Ca 0.17 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3kbu h LEU 1799Cb 0.51 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3kbu h LEU 1799CO 0.02 0.19 -0.23 0.45 -0.34 0.00 0.00 178.44 178.54 3kbu h HIS 1800N -0.17 0.61 -0.68 1.25 3.86 -1.23 -2.53 115.15 116.25 3kbu h HIS 1800Ca 0.00 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.10 3kbu h HIS 1800Cb 0.19 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 3kbu h HIS 1800CO -0.01 0.73 0.45 -0.09 0.86 0.00 0.00 177.93 179.87 3kbu h ARG 1801N 0.49 0.87 0.42 2.45 2.43 -0.08 0.84 114.38 121.79 3kbu h ARG 1801Ca 0.07 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3kbu h ARG 1801Cb 0.66 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3kbu h ARG 1801CO 0.05 0.58 -0.20 -0.92 -1.51 0.00 0.00 179.97 177.97 3kbu h TYR 1802N 0.90 -0.52 -1.00 2.20 3.20 -0.78 -0.68 116.97 120.29 3kbu h TYR 1802Ca 0.26 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.17 3kbu h TYR 1802Cb -0.06 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.32 3kbu h TYR 1802CO -0.00 -0.20 0.65 0.74 -1.64 0.00 0.00 178.16 177.71 3kbu h PHE 1803N -0.96 1.20 -0.44 -3.82 0.04 -1.34 0.73 116.94 112.36 3kbu h PHE 1803Ca -0.06 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.78 3kbu h PHE 1803Cb 0.56 -0.40 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 3kbu h PHE 1803CO 0.02 0.64 0.22 -0.92 -0.60 0.00 0.00 178.31 177.67 3kbu h TYR 1804N 1.19 0.40 -0.46 -0.55 3.20 -0.80 -2.37 116.97 117.57 3kbu h TYR 1804Ca 0.42 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.28 3kbu h TYR 1804Cb 0.12 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3kbu h TYR 1804CO -0.00 0.20 0.18 1.15 -1.64 0.00 0.00 178.16 178.04 3kbu h THR 1805N 0.43 1.21 -0.49 1.81 2.02 0.08 -2.36 112.91 115.62 3kbu h THR 1805Ca 0.19 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 66.77 3kbu h THR 1805Cb 0.11 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 3kbu h THR 1805CO -0.14 0.24 0.21 1.23 0.37 0.00 0.00 175.52 177.43 3kbu h GLY 1806N 0.61 0.67 1.48 2.16 0.00 -0.75 0.23 103.07 107.47 3kbu h GLY 1806Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.28 3kbu h GLY 1806CO -0.01 0.06 -0.08 0.00 0.00 0.00 0.00 176.54 176.50 3kbu h ALA 1807N 1.30 1.17 0.33 3.60 0.00 -1.34 -0.25 119.26 124.07 3kbu h ALA 1807Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3kbu h ALA 1807Cb 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kbu h ALA 1807CO -0.20 0.53 -0.16 1.49 0.00 0.00 0.00 179.25 180.92 3kbu h GLU 1808N 0.58 -0.42 -0.91 0.00 4.57 -0.77 -2.54 114.58 115.08 3kbu h GLU 1808Ca 0.11 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.44 3kbu h GLU 1808Cb 0.49 0.10 -0.09 0.00 -0.16 0.00 0.00 28.75 29.09 3kbu h GLU 1808CO 0.03 -0.16 0.53 0.82 -1.18 0.00 0.00 179.01 179.05 3kbu h ILE 1809N -0.64 0.85 -0.35 2.32 2.04 -0.83 -0.61 117.51 120.28 3kbu h ILE 1809Ca -0.04 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 3kbu h ILE 1809Cb 0.46 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3kbu h ILE 1809CO 0.07 0.15 -0.05 -0.07 0.00 0.00 0.00 178.15 178.25 3kbu h LEU 1810N 0.82 0.55 -0.09 1.44 3.38 -0.84 -0.94 115.31 119.63 3kbu h LEU 1810Ca 0.47 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3kbu h LEU 1810Cb 0.54 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3kbu h LEU 1810CO -0.30 0.66 0.00 1.23 0.09 0.00 0.00 178.44 180.12 3kbu h GLY 1811N 0.91 0.16 1.37 0.83 0.00 -0.78 -2.36 103.07 103.20 3kbu h GLY 1811Ca 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3kbu h GLY 1811CO 0.02 0.11 0.27 1.41 0.00 0.00 0.00 176.54 178.35 3kbu h LEU 1812N -0.12 0.74 -0.50 3.11 4.07 -0.83 -1.33 115.31 120.44 3kbu h LEU 1812Ca 0.02 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.80 3kbu h LEU 1812Cb 0.33 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 3kbu h LEU 1812CO 0.00 0.63 -0.13 0.40 -1.08 0.00 0.00 178.44 178.27 3kbu h ILE 1813N 0.82 1.27 0.06 1.22 2.04 -1.16 -1.86 117.51 119.89 3kbu h ILE 1813Ca 0.20 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.79 3kbu h ILE 1813Cb 0.09 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3kbu h ILE 1813CO -0.03 0.44 -0.03 -0.78 0.00 0.00 0.00 178.15 177.76 3kbu h ASP 1814N 0.83 -0.07 -0.90 1.72 3.58 -0.98 -1.91 116.42 118.68 3kbu h ASP 1814Ca 0.13 -0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.58 3kbu h ASP 1814Cb 0.69 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 3kbu h ASP 1814CO 0.05 0.06 0.58 -0.08 -2.88 0.00 0.00 179.24 176.97 3kbu h GLU 1815N -0.19 0.87 -0.36 0.28 4.81 -1.13 0.44 114.58 119.30 3kbu h GLU 1815Ca -0.01 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 3kbu h GLU 1815Cb 0.16 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3kbu h GLU 1815CO 0.01 0.57 -0.05 0.87 -0.73 0.00 0.00 179.01 179.69 3kbu h LYS 1816N 0.89 0.67 0.33 1.92 1.79 -1.07 -2.29 116.57 118.82 3kbu h LYS 1816Ca 0.42 -0.24 -0.02 0.00 -2.18 0.00 0.00 60.65 58.64 3kbu h LYS 1816Cb 0.42 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3kbu h LYS 1816CO -0.18 0.81 -0.16 1.25 -1.08 0.00 0.00 179.45 180.09 3kbu h HIS 1817N 0.47 -0.41 -0.05 -1.35 2.76 -0.48 -1.99 115.15 114.11 3kbu h HIS 1817Ca 0.10 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3kbu h HIS 1817Cb 0.53 0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.62 3kbu h HIS 1817CO 0.04 -0.21 0.10 0.00 -1.30 0.00 0.00 177.93 176.56 3kbu h ARG 1818N -0.50 0.00 -0.04 5.26 3.08 -1.03 -2.00 114.38 119.15 3kbu h ARG 1818Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 3kbu h ARG 1818Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3kbu h ARG 1818CO 0.07 0.00 -0.60 1.49 -1.07 0.00 0.00 179.97 179.86 3kbu h GLU 1819N 0.00 0.15 -6.55 0.04 4.81 -0.75 -3.46 114.58 108.82 3kbu h GLU 1819Ca 0.02 -0.11 -0.60 0.00 -0.13 0.00 0.00 59.36 58.55 3kbu h GLU 1819Cb 0.21 0.02 0.09 0.00 0.63 0.00 0.00 28.75 29.70 3kbu h GLU 1819CO -0.00 0.71 0.43 1.28 -0.73 0.00 0.00 179.01 180.70 3kbu n LEU 1820N -3.86 2.64 -4.83 1.64 7.99 -0.75 -4.99 117.00 114.85 3kbu n LEU 1820Ca -0.02 1.16 -0.32 0.00 -0.01 0.00 0.00 56.01 56.83 3kbu n LEU 1820Cb 0.61 -1.37 0.01 0.00 -0.11 0.00 0.00 43.42 42.56 3kbu n LEU 1820CO 0.43 -0.82 0.71 -2.16 -1.51 0.00 0.00 177.39 174.04 3kbu s PRO 1821N -0.96 3.37 0.16 3.23 0.04 -1.26 -4.95 135.00 134.62 3kbu s PRO 1821Ca 0.64 1.02 -0.34 0.00 0.04 0.00 0.00 61.00 62.36 3kbu s PRO 1821Cb -0.68 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 31.68 3kbu s PRO 1821CO 0.55 -0.76 1.57 -1.91 0.04 0.00 0.00 177.00 176.49 3kbu n GLU 1822N -2.37 2.13 -2.20 4.56 2.13 -1.26 -4.91 120.64 118.71 3kbu n GLU 1822Ca 0.08 0.77 -0.43 0.00 0.66 0.00 0.00 57.16 58.23 3kbu n GLU 1822Cb 0.53 -2.53 -0.02 0.00 0.27 0.00 0.00 31.44 29.69 3kbu n GLU 1822CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3kbu s ASP 1823N 0.90 6.22 -0.01 4.31 2.15 -1.26 -4.86 116.67 124.11 3kbu s ASP 1823Ca 0.79 1.15 0.03 0.00 0.43 0.00 0.00 52.55 54.96 3kbu s ASP 1823Cb -0.68 -2.53 0.07 0.00 -0.30 0.00 0.00 42.92 39.48 3kbu s ASP 1823CO 0.38 -1.47 1.05 1.33 -0.17 0.00 0.00 175.17 176.30 3kbu n VAL 1824N 7.02 1.10 -0.16 1.11 0.24 -1.26 -4.99 118.33 121.38 3kbu n VAL 1824Ca 0.19 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 3kbu n VAL 1824Cb 0.47 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.26 3kbu n VAL 1824CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kbu n GLY 1825N -0.45 1.09 2.76 7.63 0.00 -1.26 -5.00 105.19 109.96 3kbu n GLY 1825Ca 0.03 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3kbu n GLY 1825CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kbu n LEU 1826N 0.00 5.75 0.00 0.99 4.32 -1.26 -5.35 117.00 121.45 3kbu n LEU 1826Ca 0.00 -5.39 0.00 0.00 -0.02 0.00 0.00 56.01 50.60 3kbu n LEU 1826Cb 0.01 -0.78 0.00 0.00 -1.62 0.00 0.00 43.42 41.04 3kbu n LEU 1826CO 0.00 2.17 0.00 0.47 -1.22 0.00 0.00 177.39 178.81 3kbu n ASP 1827N -0.29 0.00 -0.98 -1.43 8.00 -1.26 -5.20 116.55 115.39 3kbu n ASP 1827Ca 0.40 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.99 3kbu n ASP 1827Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 3kbu n ASP 1827CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3kbu n VAL 1837N 0.00 -0.32 -3.12 2.53 3.14 -1.26 -4.96 118.33 114.34 3kbu n VAL 1837Ca 0.00 0.40 -0.21 0.00 -2.96 0.00 0.00 64.34 61.57 3kbu n VAL 1837Cb 0.00 -0.64 0.01 0.00 -1.06 0.00 0.00 33.84 32.14 3kbu n VAL 1837CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 3kbu s HIS 1838N -4.19 3.11 0.05 1.45 0.09 -1.26 -5.14 115.29 109.41 3kbu s HIS 1838Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 55.06 55.02 3kbu s HIS 1838Cb 0.00 -2.26 -0.02 0.00 -0.00 0.00 0.00 32.58 30.30 3kbu s HIS 1838CO 0.00 -0.30 0.05 0.95 -0.00 0.00 0.00 174.74 175.44 3kbu s THR 1839N -2.43 0.16 0.51 1.30 -4.23 -1.26 -5.03 115.64 104.66 3kbu s THR 1839Ca 0.49 -1.35 0.29 0.00 -1.18 0.00 0.00 61.69 59.94 3kbu s THR 1839Cb -0.10 -1.11 0.47 0.00 1.34 0.00 0.00 72.50 73.10 3kbu s THR 1839CO 0.35 -0.74 1.85 0.00 -0.54 0.00 0.00 174.62 175.54 3kbu h ALA 1840N 3.46 2.75 0.01 3.99 0.00 -2.00 -2.17 119.26 125.29 3kbu h ALA 1840Ca -0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3kbu h ALA 1840Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kbu h ALA 1840CO 0.56 -1.04 -0.00 0.35 0.00 0.00 0.00 179.25 179.11 3kbu h PHE 1841N 0.10 -0.01 -0.90 0.00 3.57 -1.99 -1.71 116.94 116.01 3kbu h PHE 1841Ca 0.48 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.04 3kbu h PHE 1841Cb 1.73 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.42 3kbu h PHE 1841CO -0.00 0.71 0.57 0.93 -2.23 0.00 0.00 178.31 178.29 3kbu h GLU 1842N -0.76 1.01 -0.39 1.11 3.07 -1.81 -0.27 114.58 116.53 3kbu h GLU 1842Ca -0.00 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 3kbu h GLU 1842Cb 0.73 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 3kbu h GLU 1842CO 0.00 0.67 -0.12 0.07 -1.40 0.00 0.00 179.01 178.23 3kbu h ARG 1843N 1.04 0.70 -0.31 2.33 0.11 -1.47 -1.76 114.38 115.01 3kbu h ARG 1843Ca 0.39 -0.23 -0.06 0.00 0.10 0.00 0.00 59.98 60.18 3kbu h ARG 1843Cb 0.16 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 3kbu h ARG 1843CO -0.17 0.79 -0.06 -0.44 0.10 0.00 0.00 179.97 180.20 3kbu h ASP 1844N 0.63 0.58 -0.61 0.08 3.32 -0.18 -2.11 116.42 118.14 3kbu h ASP 1844Ca 0.11 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 3kbu h ASP 1844Cb 0.57 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3kbu h ASP 1844CO 0.04 0.80 0.14 0.58 -1.72 0.00 0.00 179.24 179.07 3kbu h VAL 1845N 0.36 1.25 0.02 -1.35 2.07 -1.03 -2.31 116.25 115.25 3kbu h VAL 1845Ca 0.08 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3kbu h VAL 1845Cb 0.53 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kbu h VAL 1845CO 0.03 0.35 -0.01 -0.74 0.02 0.00 0.00 177.57 177.22 3kbu h HIS 1846N 0.96 -0.02 -0.93 1.57 -0.00 -1.28 -0.18 115.15 115.27 3kbu h HIS 1846Ca 0.20 -0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.66 3kbu h HIS 1846Cb 0.36 0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 27.71 3kbu h HIS 1846CO 0.03 0.15 0.60 -0.07 -0.00 0.00 0.00 177.93 178.64 3kbu h LEU 1847N -0.19 0.88 -0.53 0.26 3.38 -1.32 -1.25 115.31 116.54 3kbu h LEU 1847Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kbu h LEU 1847Cb 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kbu h LEU 1847CO 0.00 0.53 0.16 0.25 0.09 0.00 0.00 178.44 179.47 3kbu h LEU 1848N 0.97 0.77 -1.63 1.67 5.85 -1.16 -2.36 115.31 119.43 3kbu h LEU 1848Ca 0.42 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3kbu h LEU 1848Cb 0.34 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3kbu h LEU 1848CO -0.18 0.78 0.02 1.23 -0.34 0.00 0.00 178.44 179.95 3kbu h GLY 1849N 0.73 0.27 0.75 3.75 0.00 0.08 -0.35 103.07 108.30 3kbu h GLY 1849Ca 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3kbu h GLY 1849CO -0.00 0.12 -0.11 -2.08 0.00 0.00 0.00 176.54 174.47 3kbu h VAL 1850N 0.25 1.33 -0.64 4.60 2.07 -0.94 -1.30 116.25 121.62 3kbu h VAL 1850Ca 0.06 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 66.47 3kbu h VAL 1850Cb 0.14 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3kbu h VAL 1850CO 0.00 0.36 0.43 1.56 0.02 0.00 0.00 177.57 179.94 3kbu h GLN 1851N 0.00 0.46 -0.17 1.57 4.20 -0.88 -0.26 115.11 120.04 3kbu h GLN 1851Ca 0.03 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 3kbu h GLN 1851Cb 0.61 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3kbu h GLN 1851CO 0.03 0.30 -0.51 0.28 -0.67 0.00 0.00 178.83 178.26 3kbu h VAL 1852N 0.47 1.32 -0.50 -0.54 2.07 -0.91 0.17 116.25 118.34 3kbu h VAL 1852Ca 0.30 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 66.08 3kbu h VAL 1852Cb 0.53 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3kbu h VAL 1852CO -0.09 0.55 0.31 -0.61 0.02 0.00 0.00 177.57 177.75 3kbu h GLN 1853N 0.33 0.60 -0.80 1.57 5.75 -0.36 -1.30 115.11 120.91 3kbu h GLN 1853Ca -0.02 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.40 3kbu h GLN 1853Cb 1.13 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.51 3kbu h GLN 1853CO 0.11 0.40 0.32 1.96 -2.65 0.00 0.00 178.83 178.97 3kbu h GLN 1854N 0.62 1.19 -0.28 1.69 4.20 -0.93 -2.24 115.11 119.36 3kbu h GLN 1854Ca 0.20 -0.22 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3kbu h GLN 1854Cb -0.01 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3kbu h GLN 1854CO -0.07 0.96 -0.23 0.35 -0.67 0.00 0.00 178.83 179.17 3kbu h PHE 1855N 1.16 0.59 -0.59 2.96 3.57 -0.76 -2.33 116.94 121.54 3kbu h PHE 1855Ca 0.27 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3kbu h PHE 1855Cb 0.21 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3kbu h PHE 1855CO 0.02 0.72 0.26 1.96 -2.23 0.00 0.00 178.31 179.04 3kbu h GLN 1856N 0.47 0.86 -0.57 1.11 4.20 -0.73 -1.14 115.11 119.31 3kbu h GLN 1856Ca 0.07 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3kbu h GLN 1856Cb 0.65 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3kbu h GLN 1856CO 0.05 0.72 0.20 -0.44 -0.67 0.00 0.00 178.83 178.69 3kbu h ASP 1857N 0.81 0.81 -0.35 1.46 3.32 -1.17 -1.93 116.42 119.36 3kbu h ASP 1857Ca 0.20 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kbu h ASP 1857Cb 0.15 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3kbu h ASP 1857CO -0.02 0.78 0.20 0.58 -1.72 0.00 0.00 179.24 179.06 3kbu h VAL 1858N 0.79 1.13 -0.84 -1.35 2.07 -1.27 -2.27 116.25 114.51 3kbu h VAL 1858Ca 0.19 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.49 3kbu h VAL 1858Cb 0.24 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 3kbu h VAL 1858CO -0.01 0.13 0.47 0.00 0.02 0.00 0.00 177.57 178.18 3kbu h ALA 1859N 1.07 1.23 0.04 1.67 0.00 -0.86 -0.76 119.26 121.64 3kbu h ALA 1859Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kbu h ALA 1859Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kbu h ALA 1859CO -0.02 0.03 -0.02 1.15 0.00 0.00 0.00 179.25 180.39 3kbu h THR 1860N 0.74 1.07 -0.14 0.00 2.02 -1.11 -2.21 112.91 113.27 3kbu h THR 1860Ca 0.43 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.30 3kbu h THR 1860Cb 0.48 1.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3kbu h THR 1860CO -0.29 0.09 -0.06 -0.09 0.37 0.00 0.00 175.52 175.53 3kbu h ARG 1861N -0.20 -0.04 -0.51 6.66 2.43 -0.87 -2.81 114.38 119.04 3kbu h ARG 1861Ca -0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3kbu h ARG 1861Cb 0.18 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3kbu h ARG 1861CO 0.01 -0.03 0.33 -0.07 -1.51 0.00 0.00 179.97 178.70 3kbu h LEU 1862N -0.05 0.57 -0.84 3.80 3.38 -1.13 -2.48 115.31 118.55 3kbu h LEU 1862Ca 0.08 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.24 3kbu h LEU 1862Cb 0.16 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 40.65 3kbu h LEU 1862CO -0.17 0.41 0.29 1.56 0.09 0.00 0.00 178.44 180.62 3kbu h GLN 1863N 0.67 0.31 -1.00 1.13 4.20 -1.13 0.49 115.11 119.79 3kbu h GLN 1863Ca 0.19 -0.02 0.29 0.00 0.06 0.00 0.00 58.65 59.17 3kbu h GLN 1863Cb -0.06 -0.07 -0.19 0.00 0.30 0.00 0.00 27.48 27.46 3kbu h GLN 1863CO -0.05 0.21 0.06 2.41 -0.67 0.00 0.00 178.83 180.79 3kbu n THR 1864N -5.12 -0.42 0.19 -0.54 -1.04 -0.94 -1.67 114.28 104.76 3kbu n THR 1864Ca 0.19 2.18 0.12 0.00 -2.04 0.00 0.00 64.05 64.51 3kbu n THR 1864Cb 0.59 -3.22 0.13 0.00 -1.82 0.00 0.00 70.33 66.02 3kbu n THR 1864CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kbu h ALA 1865N 2.00 0.89 -1.47 2.41 0.00 -0.09 -3.47 119.26 119.53 3kbu h ALA 1865Ca 0.63 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.99 3kbu h ALA 1865Cb 1.33 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3kbu h ALA 1865CO -0.93 0.01 -0.44 0.71 0.00 0.00 0.00 179.25 178.60 3kbu s TYR 1866N -3.24 2.55 0.33 0.00 2.02 -0.67 -5.11 117.35 113.24 3kbu s TYR 1866Ca 0.05 -0.58 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 3kbu s TYR 1866Cb 0.06 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 3kbu s TYR 1866CO 0.70 0.03 0.54 0.00 -1.57 0.00 0.00 175.55 175.25 3kbu s ALA 1867N -2.58 0.26 0.00 3.71 0.00 -1.26 -4.74 121.76 117.15 3kbu s ALA 1867Ca 0.42 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3kbu s ALA 1867Cb 0.01 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3kbu s ALA 1867CO 0.24 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3kbu n GLY 1868N -0.52 3.00 0.20 0.00 0.00 -1.26 -3.13 105.19 103.48 3kbu n GLY 1868Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.69 3kbu n GLY 1868CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kbu h GLU 1869N 0.00 0.63 -0.54 1.61 4.81 -1.99 -2.53 114.58 116.56 3kbu h GLU 1869Ca 0.00 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 3kbu h GLU 1869Cb 0.00 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kbu h GLU 1869CO 0.00 0.79 0.08 0.87 -0.73 0.00 0.00 179.01 180.02 3kbu h LYS 1870N 0.41 0.87 -0.04 1.92 1.79 -1.98 -1.02 116.57 118.52 3kbu h LYS 1870Ca 0.09 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.27 3kbu h LYS 1870Cb 0.54 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 3kbu h LYS 1870CO 0.03 0.81 -0.36 0.00 -1.08 0.00 0.00 179.45 178.86 3kbu h ALA 1871N 1.26 1.33 -0.13 3.86 0.00 -1.42 -1.73 119.26 122.43 3kbu h ALA 1871Ca 0.17 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.58 3kbu h ALA 1871Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kbu h ALA 1871CO 0.01 0.48 -0.59 0.93 0.00 0.00 0.00 179.25 180.08 3kbu h GLU 1872N 0.07 0.44 -0.22 0.00 5.08 -0.95 -1.91 114.58 117.08 3kbu h GLU 1872Ca 0.01 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 57.93 3kbu h GLU 1872Cb 0.67 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3kbu h GLU 1872CO 0.05 0.90 -0.45 0.00 -1.00 0.00 0.00 179.01 178.51 3kbu h ALA 1873N 1.03 0.80 0.29 3.43 0.00 -0.71 -0.90 119.26 123.20 3kbu h ALA 1873Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3kbu h ALA 1873Cb 1.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kbu h ALA 1873CO 0.10 0.66 -0.14 0.82 0.00 0.00 0.00 179.25 180.69 3kbu h ILE 1874N 0.46 0.74 -0.44 0.00 2.04 -1.21 -1.47 117.51 117.62 3kbu h ILE 1874Ca 0.03 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3kbu h ILE 1874Cb 0.96 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3kbu h ILE 1874CO 0.09 0.10 0.16 -0.61 0.00 0.00 0.00 178.15 177.89 3kbu h GLN 1875N -0.66 0.33 -0.67 2.37 4.15 -1.39 -2.30 115.11 116.94 3kbu h GLN 1875Ca -0.04 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.43 3kbu h GLN 1875Cb 0.46 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 3kbu h GLN 1875CO 0.07 0.22 0.36 -0.91 -1.93 0.00 0.00 178.83 176.63 3kbu h ASN 1876N 0.34 0.52 0.19 -0.69 2.35 -1.08 -0.76 115.58 116.45 3kbu h ASN 1876Ca 0.21 0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.91 3kbu h ASN 1876Cb 0.19 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3kbu h ASN 1876CO -0.21 0.33 -0.30 0.50 -1.65 0.00 0.00 177.43 176.10 3kbu h LYS 1877N 0.65 0.19 -0.25 0.81 1.63 -0.74 0.05 116.57 118.92 3kbu h LYS 1877Ca 0.30 -0.07 -0.06 0.00 -0.85 0.00 0.00 60.65 59.98 3kbu h LYS 1877Cb 0.22 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3kbu h LYS 1877CO -0.20 0.48 -0.07 1.49 -3.45 0.00 0.00 179.45 177.70 3kbu h GLU 1878N 0.17 0.49 -0.90 1.90 4.22 -0.88 -1.42 114.58 118.16 3kbu h GLU 1878Ca 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 59.36 59.26 3kbu h GLU 1878Cb 0.62 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 3kbu h GLU 1878CO 0.05 0.72 0.52 1.96 -2.18 0.00 0.00 179.01 180.07 3kbu h GLN 1879N 0.23 1.23 -0.38 1.92 4.20 -0.50 -1.08 115.11 120.73 3kbu h GLN 1879Ca 0.06 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3kbu h GLN 1879Cb 0.54 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3kbu h GLN 1879CO 0.03 0.88 0.15 1.49 -0.67 0.00 0.00 178.83 180.71 3kbu h GLU 1880N 1.24 0.57 -0.51 1.46 4.81 -0.92 -1.44 114.58 119.79 3kbu h GLU 1880Ca 0.32 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3kbu h GLU 1880Cb -0.02 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3kbu h GLU 1880CO -0.06 0.55 0.27 0.28 -0.73 0.00 0.00 179.01 179.33 3kbu h VAL 1881N 0.47 1.18 -0.54 0.32 2.07 -0.53 -1.74 116.25 117.48 3kbu h VAL 1881Ca 0.13 -0.46 -0.10 0.00 0.82 0.00 0.00 66.70 67.08 3kbu h VAL 1881Cb 0.20 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3kbu h VAL 1881CO -0.01 0.19 -0.07 0.28 0.02 0.00 0.00 177.57 177.98 3kbu h SER 1882N 0.67 0.98 -0.48 0.57 0.02 -1.20 -2.03 113.55 112.10 3kbu h SER 1882Ca 0.18 -0.30 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3kbu h SER 1882Cb 0.06 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3kbu h SER 1882CO -0.03 1.08 0.30 0.00 -1.14 0.00 0.00 176.83 177.04 3kbu h ALA 1883N 1.01 0.61 -0.69 3.77 0.00 -0.94 0.41 119.26 123.44 3kbu h ALA 1883Ca 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kbu h ALA 1883Cb 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3kbu h ALA 1883CO 0.04 0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.53 3kbu h ALA 1884N 1.19 1.11 -0.36 0.00 0.00 -1.14 -2.23 119.26 117.84 3kbu h ALA 1884Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kbu h ALA 1884Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kbu h ALA 1884CO -0.06 0.62 0.04 2.35 0.00 0.00 0.00 179.25 182.19 3kbu h TRP 1885N 1.01 0.65 0.45 0.00 2.91 -0.90 -2.06 115.95 118.00 3kbu h TRP 1885Ca 0.23 -0.10 -0.02 0.00 1.13 0.00 0.00 58.89 60.13 3kbu h TRP 1885Cb 0.26 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3kbu h TRP 1885CO 0.02 0.67 -0.28 1.96 -1.03 0.00 0.00 178.44 179.79 3kbu h GLN 1886N 0.44 -0.67 -0.90 2.65 1.08 -0.68 -1.70 115.11 115.32 3kbu h GLN 1886Ca 0.11 0.05 0.25 0.00 -1.45 0.00 0.00 58.65 57.60 3kbu h GLN 1886Cb 0.39 0.15 -0.15 0.00 -0.05 0.00 0.00 27.48 27.82 3kbu h GLN 1886CO 0.01 -0.45 0.26 0.00 -0.95 0.00 0.00 178.83 177.70 3kbu h ALA 1887N -0.19 1.34 -0.39 3.87 0.00 -1.33 0.64 119.26 123.20 3kbu h ALA 1887Ca -0.05 0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3kbu h ALA 1887Cb 0.57 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3kbu h ALA 1887CO 0.05 -0.49 0.05 1.25 0.00 0.00 0.00 179.25 180.10 3kbu h LEU 1888N 0.20 0.64 -0.23 0.00 5.85 -1.04 0.48 115.31 121.20 3kbu h LEU 1888Ca 0.58 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 59.02 3kbu h LEU 1888Cb 1.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3kbu h LEU 1888CO -0.67 0.75 0.15 -0.07 -0.34 0.00 0.00 178.44 178.26 3kbu h LEU 1889N 0.50 0.28 -0.35 2.25 3.38 0.84 -2.05 115.31 120.15 3kbu h LEU 1889Ca 0.12 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kbu h LEU 1889Cb 0.40 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3kbu h LEU 1889CO 0.01 0.23 0.20 0.44 0.09 0.00 0.00 178.44 179.41 3kbu h ASP 1890N 0.30 0.32 1.26 -0.43 3.32 0.12 -2.77 116.42 118.55 3kbu h ASP 1890Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3kbu h ASP 1890Cb -0.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3kbu h ASP 1890CO -0.02 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.74 3kbu h ALA 1891N 1.16 1.00 0.00 3.45 0.00 -0.69 -3.17 119.26 121.01 3kbu h ALA 1891Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kbu h ALA 1891Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kbu h ALA 1891CO -0.07 0.00 -1.12 0.00 0.00 0.00 0.00 179.25 178.06