#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbu h GLU 1585N 0.00 1.02 0.44 -3.83 5.08 -2.05 -3.07 114.58 112.17 3kbu h GLU 1585Ca 0.00 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3kbu h GLU 1585Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3kbu h GLU 1585CO 0.00 0.99 -0.31 0.00 -1.00 0.00 0.00 179.01 178.69 3kbu h ALA 1586N 1.07 -0.74 -0.79 3.43 0.00 -2.00 -0.74 119.26 119.48 3kbu h ALA 1586Ca 0.17 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 55.10 3kbu h ALA 1586Cb 0.52 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 3kbu h ALA 1586CO 0.03 -0.94 0.32 1.96 0.00 0.00 0.00 179.25 180.62 3kbu h GLN 1587N -0.73 0.43 -0.40 0.00 4.20 -2.01 -1.22 115.11 115.37 3kbu h GLN 1587Ca -0.04 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3kbu h GLN 1587Cb 0.62 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3kbu h GLN 1587CO 0.02 0.28 0.14 0.37 -0.67 0.00 0.00 178.83 178.97 3kbu h GLN 1588N 0.44 0.61 -0.68 1.46 5.75 -1.41 -2.11 115.11 119.16 3kbu h GLN 1588Ca 0.44 -0.12 0.09 0.00 -0.15 0.00 0.00 58.65 58.91 3kbu h GLN 1588Cb 0.70 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 29.09 3kbu h GLN 1588CO -0.43 0.60 0.34 -0.92 -2.65 0.00 0.00 178.83 175.76 3kbu h TYR 1589N 0.50 0.60 -0.26 3.99 3.20 0.00 -0.21 116.97 124.78 3kbu h TYR 1589Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3kbu h TYR 1589Cb 0.23 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3kbu h TYR 1589CO 0.01 0.22 0.09 1.88 -1.64 0.00 0.00 178.16 178.72 3kbu h TYR 1590N 0.58 0.42 -0.41 -3.82 0.05 -1.02 0.80 116.97 113.57 3kbu h TYR 1590Ca 0.33 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.10 3kbu h TYR 1590Cb 0.34 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 3kbu h TYR 1590CO -0.11 0.45 0.21 -0.07 -1.05 0.00 0.00 178.16 177.59 3kbu h LEU 1591N 0.26 0.32 -0.72 3.88 3.38 -1.04 -0.57 115.31 120.82 3kbu h LEU 1591Ca 0.09 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3kbu h LEU 1591Cb 0.23 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3kbu h LEU 1591CO -0.00 0.23 0.25 0.44 0.09 0.00 0.00 178.44 179.45 3kbu h ASP 1592N 0.43 1.03 -0.30 -0.43 5.19 -0.85 -1.84 116.42 119.65 3kbu h ASP 1592Ca 0.17 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 3kbu h ASP 1592Cb 0.07 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 3kbu h ASP 1592CO -0.11 0.94 0.13 0.00 -3.12 0.00 0.00 179.24 177.08 3kbu h ALA 1593N 1.12 0.39 -0.87 3.45 0.00 -0.38 -2.26 119.26 120.72 3kbu h ALA 1593Ca 0.24 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.11 3kbu h ALA 1593Cb 0.27 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3kbu h ALA 1593CO -0.01 -0.03 0.57 -0.44 0.00 0.00 0.00 179.25 179.34 3kbu h ASP 1594N 0.34 0.84 0.03 0.00 3.32 -0.96 -0.80 116.42 119.19 3kbu h ASP 1594Ca 0.10 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3kbu h ASP 1594Cb 0.16 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3kbu h ASP 1594CO -0.01 0.53 -0.01 -0.08 -1.72 0.00 0.00 179.24 177.95 3kbu h GLU 1595N 0.95 -0.03 0.01 3.56 4.81 -0.97 0.11 114.58 123.02 3kbu h GLU 1595Ca 0.38 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3kbu h GLU 1595Cb 0.26 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3kbu h GLU 1595CO -0.15 0.08 -0.01 0.00 -0.73 0.00 0.00 179.01 178.21 3kbu h ALA 1596N 0.83 -0.02 -0.53 2.92 0.00 -1.13 -0.31 119.26 121.03 3kbu h ALA 1596Ca -0.00 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.96 3kbu h ALA 1596Cb 0.13 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3kbu h ALA 1596CO 0.01 -0.47 0.05 0.93 0.00 0.00 0.00 179.25 179.77 3kbu h GLU 1597N -0.10 0.17 -0.39 0.00 4.39 -1.06 0.20 114.58 117.80 3kbu h GLU 1597Ca -0.00 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 3kbu h GLU 1597Cb 0.09 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3kbu h GLU 1597CO 0.00 0.11 0.15 0.00 -1.16 0.00 0.00 179.01 178.11 3kbu h ALA 1598N 1.45 1.52 0.04 3.43 0.00 -0.59 0.36 119.26 125.46 3kbu h ALA 1598Ca 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kbu h ALA 1598Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3kbu h ALA 1598CO -0.40 0.37 -0.02 2.35 0.00 0.00 0.00 179.25 181.55 3kbu h TRP 1599N 0.55 -0.05 -0.72 0.00 7.01 0.91 -2.24 115.95 121.42 3kbu h TRP 1599Ca 0.14 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.20 3kbu h TRP 1599Cb 0.13 0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.15 3kbu h TRP 1599CO 0.01 0.39 0.41 0.82 -2.79 0.00 0.00 178.44 177.27 3kbu h ILE 1600N -0.50 0.97 -0.31 2.65 2.04 -0.49 -2.03 117.51 119.84 3kbu h ILE 1600Ca -0.01 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.66 3kbu h ILE 1600Cb 0.46 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 3kbu h ILE 1600CO 0.01 0.14 -0.06 1.23 0.00 0.00 0.00 178.15 179.46 3kbu h GLY 1601N 0.74 0.24 1.04 5.37 0.00 -0.76 -1.28 103.07 108.42 3kbu h GLY 1601Ca 0.32 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 3kbu h GLY 1601CO -0.19 -0.11 0.26 -2.09 0.00 0.00 0.00 176.54 174.41 3kbu h GLU 1602N 0.02 1.10 -0.24 4.80 4.57 -1.20 -1.24 114.58 122.37 3kbu h GLU 1602Ca 0.15 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3kbu h GLU 1602Cb 0.22 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3kbu h GLU 1602CO -0.30 0.92 0.05 1.96 -1.18 0.00 0.00 179.01 180.46 3kbu h GLN 1603N 1.05 0.39 -0.21 1.92 1.08 -0.64 -0.56 115.11 118.14 3kbu h GLN 1603Ca 0.24 -0.10 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 3kbu h GLN 1603Cb 0.25 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3kbu h GLN 1603CO -0.01 0.50 0.03 1.49 -0.95 0.00 0.00 178.83 179.89 3kbu h GLU 1604N 0.21 0.36 0.00 1.46 4.81 -1.03 -0.66 114.58 119.73 3kbu h GLU 1604Ca 0.08 -0.10 -0.29 0.00 -0.13 0.00 0.00 59.36 58.92 3kbu h GLU 1604Cb 0.29 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 3kbu h GLU 1604CO 0.00 0.51 -1.83 1.28 -0.73 0.00 0.00 179.01 178.23 3kbu n LEU 1605N -4.72 0.65 -0.01 1.64 4.77 -0.49 -4.58 117.00 114.26 3kbu n LEU 1605Ca -0.04 0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 56.23 3kbu n LEU 1605Cb 0.20 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3kbu n LEU 1605CO 0.36 0.37 -0.56 -1.22 -1.33 0.00 0.00 177.39 175.02 3kbu n TYR 1606N -2.94 0.00 0.06 -1.77 4.01 -0.31 -4.85 117.16 111.36 3kbu n TYR 1606Ca -0.19 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.43 3kbu n TYR 1606Cb 1.04 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 39.91 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 0.98 -3.95 -0.72 2.07 -1.24 -3.45 116.25 109.94 3kbu h VAL 1607Ca -0.04 -1.05 -0.48 0.00 0.82 0.00 0.00 66.70 65.95 3kbu h VAL 1607Cb 1.07 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3kbu h VAL 1607CO -0.01 0.23 0.40 -0.63 0.02 0.00 0.00 177.57 177.59 3kbu s ILE 1608N -3.88 3.79 0.22 4.57 1.01 -0.26 -5.04 121.20 121.60 3kbu s ILE 1608Ca -0.14 1.38 0.11 0.00 0.00 0.00 0.00 60.65 62.00 3kbu s ILE 1608Cb 0.01 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3kbu s ILE 1608CO 0.55 0.02 -0.22 -0.55 0.00 0.00 0.00 174.94 174.73 3kbu s SER 1609N -1.57 3.44 0.00 3.58 0.15 -1.26 -4.76 113.70 113.27 3kbu s SER 1609Ca 0.57 -0.92 0.22 0.00 0.70 0.00 0.00 55.95 56.51 3kbu s SER 1609Cb -0.21 -0.26 0.37 0.00 -1.71 0.00 0.00 66.02 64.20 3kbu s SER 1609CO 0.27 0.08 1.34 0.47 1.20 0.00 0.00 173.24 176.60 3kbu n ASP 1610N -0.04 3.29 -4.74 5.45 8.00 -1.26 -5.02 116.55 122.23 3kbu n ASP 1610Ca -0.10 -1.96 -0.36 0.00 0.71 0.00 0.00 54.79 53.08 3kbu n ASP 1610Cb 0.57 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 41.52 3kbu n ASP 1610CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3kbu s GLU 1611N -1.48 2.81 -0.22 -1.24 2.02 -1.26 -4.98 118.70 114.35 3kbu s GLU 1611Ca 0.35 1.93 -0.04 0.00 0.02 0.00 0.00 54.97 57.23 3kbu s GLU 1611Cb 0.21 -1.90 -0.01 0.00 0.10 0.00 0.00 34.13 32.53 3kbu s GLU 1611CO 0.29 -1.36 -0.05 0.42 0.02 0.00 0.00 175.26 174.58 3kbu s ILE 1612N -1.51 3.29 0.27 -1.63 1.01 -1.26 -5.08 121.20 116.29 3kbu s ILE 1612Ca 0.80 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 3kbu s ILE 1612Cb -0.33 -2.49 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 3kbu s ILE 1612CO 0.36 0.43 1.46 -2.16 0.00 0.00 0.00 174.94 175.03 3kbu s PRO 1613N 1.45 4.24 0.11 2.79 0.04 -1.26 -4.94 135.00 137.43 3kbu s PRO 1613Ca 0.06 2.36 -0.13 0.00 0.04 0.00 0.00 61.00 63.32 3kbu s PRO 1613Cb -0.14 -3.08 -0.10 0.00 0.04 0.00 0.00 34.50 31.21 3kbu s PRO 1613CO -0.04 -0.44 1.39 0.87 0.04 0.00 0.00 177.00 178.82 3kbu h LYS 1614N 4.76 0.79 0.00 4.56 1.57 -1.98 -3.46 116.57 122.81 3kbu h LYS 1614Ca -0.47 -0.50 -0.19 0.00 -1.87 0.00 0.00 60.65 57.63 3kbu h LYS 1614Cb 1.22 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 3kbu h LYS 1614CO 0.76 1.12 -0.17 -0.40 -0.57 0.00 0.00 179.45 180.20 3kbu n ASP 1615N -4.10 -0.36 -0.16 0.86 5.68 -1.26 -5.01 116.55 112.19 3kbu n ASP 1615Ca -0.05 -1.90 -0.08 0.00 -0.50 0.00 0.00 54.79 52.26 3kbu n ASP 1615Cb 0.58 0.78 0.01 0.00 -1.14 0.00 0.00 41.12 41.35 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 0.68 -0.42 0.11 4.81 -1.93 -2.14 114.58 115.68 3kbu h GLU 1616Ca -0.10 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3kbu h GLU 1616Cb 0.51 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3kbu h GLU 1616CO 0.15 0.59 0.27 1.49 -0.73 0.00 0.00 179.01 180.78 3kbu h GLU 1617N 0.61 0.56 -0.39 1.92 4.81 -1.99 -1.17 114.58 118.93 3kbu h GLU 1617Ca 0.16 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3kbu h GLU 1617Cb 0.14 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3kbu h GLU 1617CO -0.02 0.39 0.11 0.78 -0.73 0.00 0.00 179.01 179.54 3kbu h GLY 1618N 0.57 0.61 0.91 1.92 0.00 -1.92 -2.35 103.07 102.82 3kbu h GLY 1618Ca 0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3kbu h GLY 1618CO -0.03 0.29 -0.02 0.00 0.00 0.00 0.00 176.54 176.79 3kbu h ALA 1619N 1.57 0.46 -0.13 3.60 0.00 -0.93 -1.65 119.26 122.18 3kbu h ALA 1619Ca 0.13 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3kbu h ALA 1619Cb 0.19 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3kbu h ALA 1619CO -0.01 0.24 -0.10 0.82 0.00 0.00 0.00 179.25 180.20 3kbu h ILE 1620N 0.42 0.70 -0.36 0.00 2.04 -0.90 0.90 117.51 120.30 3kbu h ILE 1620Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 3kbu h ILE 1620Cb 0.48 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 3kbu h ILE 1620CO 0.02 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.77 3kbu h VAL 1621N -0.12 0.75 -0.18 1.67 2.07 -1.44 -1.44 116.25 117.57 3kbu h VAL 1621Ca 0.08 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.45 3kbu h VAL 1621Cb 0.24 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3kbu h VAL 1621CO -0.20 0.02 -0.40 0.24 0.02 0.00 0.00 177.57 177.25 3kbu h MET 1622N 0.12 0.40 -0.22 1.57 2.86 -0.80 -2.34 114.93 116.53 3kbu h MET 1622Ca 0.18 -0.19 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 3kbu h MET 1622Cb 0.24 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3kbu h MET 1622CO -0.28 0.74 -0.61 1.25 1.06 0.00 0.00 176.91 179.06 3kbu h LEU 1623N 0.33 0.85 -0.15 1.22 5.85 -0.55 -0.46 115.31 122.40 3kbu h LEU 1623Ca 0.03 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3kbu h LEU 1623Cb 0.85 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3kbu h LEU 1623CO 0.07 1.26 0.08 0.50 -0.34 0.00 0.00 178.44 180.01 3kbu h LYS 1624N 0.55 0.22 -0.41 1.25 3.64 -1.21 0.76 116.57 121.37 3kbu h LYS 1624Ca -0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3kbu h LYS 1624Cb 1.21 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3kbu h LYS 1624CO 0.13 0.23 0.16 -0.09 -2.27 0.00 0.00 179.45 177.61 3kbu h ARG 1625N 0.14 0.62 -0.47 1.90 2.43 -1.33 -2.49 114.38 115.19 3kbu h ARG 1625Ca 0.05 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3kbu h ARG 1625Cb 0.08 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3kbu h ARG 1625CO -0.01 0.58 0.13 1.25 -1.51 0.00 0.00 179.97 180.41 3kbu h HIS 1626N 0.52 0.72 -0.18 2.20 2.76 -0.90 -2.25 115.15 118.02 3kbu h HIS 1626Ca 0.14 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 3kbu h HIS 1626Cb 0.20 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 3kbu h HIS 1626CO 0.00 0.60 -0.32 -0.07 -1.30 0.00 0.00 177.93 176.84 3kbu h LEU 1627N 0.69 0.37 -0.41 0.26 3.38 -0.41 0.24 115.31 119.44 3kbu h LEU 1627Ca 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3kbu h LEU 1627Cb 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kbu h LEU 1627CO -0.01 0.68 0.15 0.03 0.09 0.00 0.00 178.44 179.38 3kbu h ARG 1628N 0.32 0.62 -0.47 1.13 -0.00 -1.26 0.23 114.38 114.94 3kbu h ARG 1628Ca 0.04 -0.12 -0.03 0.00 -0.50 0.00 0.00 59.98 59.36 3kbu h ARG 1628Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 29.97 30.58 3kbu h ARG 1628CO 0.06 0.60 0.16 1.96 0.00 0.00 0.00 179.97 182.74 3kbu h GLN 1629N 0.51 0.72 -0.49 0.04 4.20 -1.15 -1.13 115.11 117.82 3kbu h GLN 1629Ca 0.13 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3kbu h GLN 1629Cb 0.22 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3kbu h GLN 1629CO -0.01 0.68 0.09 0.37 -0.67 0.00 0.00 178.83 179.29 3kbu h GLN 1630N 0.62 0.75 -0.61 1.46 4.15 -0.86 -1.71 115.11 118.91 3kbu h GLN 1630Ca 0.15 -0.15 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3kbu h GLN 1630Cb 0.24 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.79 3kbu h GLN 1630CO -0.01 0.70 0.30 0.00 -1.93 0.00 0.00 178.83 177.89 3kbu h ARG 1631N 0.72 0.86 -0.44 1.69 3.08 -0.04 -1.78 114.38 118.47 3kbu h ARG 1631Ca 0.16 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.02 3kbu h ARG 1631Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3kbu h ARG 1631CO 0.00 0.66 -0.06 0.00 -1.07 0.00 0.00 179.97 179.50 3kbu h ALA 1632N 1.47 0.60 -0.55 0.04 0.00 -0.68 -1.85 119.26 118.30 3kbu h ALA 1632Ca 0.21 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kbu h ALA 1632Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3kbu h ALA 1632CO -0.03 0.44 0.34 0.28 0.00 0.00 0.00 179.25 180.28 3kbu h VAL 1633N 0.65 1.08 -0.09 0.00 2.07 -1.06 -2.52 116.25 116.37 3kbu h VAL 1633Ca 0.12 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3kbu h VAL 1633Cb 0.58 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3kbu h VAL 1633CO 0.03 0.12 -0.07 -0.08 0.02 0.00 0.00 177.57 177.60 3kbu h GLU 1634N 0.67 -0.07 -0.67 1.57 4.57 -1.09 -2.58 114.58 116.99 3kbu h GLU 1634Ca 0.22 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 3kbu h GLU 1634Cb 0.00 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3kbu h GLU 1634CO -0.09 -0.05 0.44 -0.44 -1.18 0.00 0.00 179.01 177.70 3kbu h ASP 1635N -0.07 0.60 0.30 1.04 5.19 -1.23 -1.26 116.42 120.99 3kbu h ASP 1635Ca 0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3kbu h ASP 1635Cb 0.16 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 3kbu h ASP 1635CO -0.14 0.39 -0.05 0.22 -3.12 0.00 0.00 179.24 176.55 3kbu h TYR 1636N 0.69 0.00 -1.35 4.55 3.20 -1.03 -2.03 116.97 121.00 3kbu h TYR 1636Ca 0.28 0.00 0.40 0.00 3.14 0.00 0.00 58.73 62.55 3kbu h TYR 1636Cb 0.24 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 3kbu h TYR 1636CO -0.00 0.05 0.93 0.78 -1.64 0.00 0.00 178.16 178.28 3kbu h GLY 1637N 0.65 0.55 0.75 1.82 0.00 -1.20 0.14 103.07 105.78 3kbu h GLY 1637Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3kbu h GLY 1637CO 0.01 -0.12 -0.25 3.21 0.00 0.00 0.00 176.54 179.38 3kbu h ARG 1638N 0.10 -0.54 -0.49 4.80 3.08 -1.57 -2.17 114.38 117.59 3kbu h ARG 1638Ca 0.70 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.87 3kbu h ARG 1638Cb 2.49 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 32.59 3kbu h ARG 1638CO -0.16 -0.36 0.09 -0.91 -1.07 0.00 0.00 179.97 177.56 3kbu h ASN 1639N -0.56 -0.01 -0.58 7.04 4.21 -0.93 -0.85 115.58 123.90 3kbu h ASN 1639Ca -0.01 0.09 0.04 0.00 1.21 0.00 0.00 56.30 57.62 3kbu h ASN 1639Cb 0.50 0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.78 3kbu h ASN 1639CO -0.03 0.03 0.33 0.40 -1.29 0.00 0.00 177.43 176.86 3kbu h ILE 1640N 0.23 1.02 -0.23 2.81 1.08 -1.34 0.68 117.51 121.76 3kbu h ILE 1640Ca 0.25 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.46 3kbu h ILE 1640Cb 0.33 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3kbu h ILE 1640CO -0.32 0.12 0.02 0.11 -0.69 0.00 0.00 178.15 177.38 3kbu h LYS 1641N 0.65 0.40 -0.83 2.37 1.57 -0.81 -1.05 116.57 118.88 3kbu h LYS 1641Ca 0.24 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 58.99 3kbu h LYS 1641Cb 0.08 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 3kbu h LYS 1641CO -0.13 0.56 0.48 1.96 -0.57 0.00 0.00 179.45 181.76 3kbu h GLN 1642N 0.18 0.82 -0.64 3.15 4.20 -0.66 0.53 115.11 122.69 3kbu h GLN 1642Ca 0.07 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3kbu h GLN 1642Cb 0.37 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3kbu h GLN 1642CO 0.01 0.54 0.31 -0.07 -0.67 0.00 0.00 178.83 178.95 3kbu h LEU 1643N 0.84 0.83 -0.54 1.46 3.38 -0.64 -1.10 115.31 119.54 3kbu h LEU 1643Ca 0.38 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.18 3kbu h LEU 1643Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kbu h LEU 1643CO -0.22 0.72 0.15 0.00 0.09 0.00 0.00 178.44 179.18 3kbu h ALA 1644N 1.14 0.71 -0.64 1.53 0.00 -0.16 -0.08 119.26 121.76 3kbu h ALA 1644Ca 0.22 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3kbu h ALA 1644Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kbu h ALA 1644CO -0.03 0.39 0.07 1.03 0.00 0.00 0.00 179.25 180.71 3kbu h SER 1645N 0.75 1.05 -0.63 0.00 0.87 -0.82 -0.51 113.55 114.27 3kbu h SER 1645Ca 0.17 -0.27 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 3kbu h SER 1645Cb 0.31 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3kbu h SER 1645CO -0.00 1.06 0.14 0.03 -0.53 0.00 0.00 176.83 177.54 3kbu h ARG 1646N 1.01 1.02 -0.36 2.24 3.08 -0.89 -1.73 114.38 118.76 3kbu h ARG 1646Ca 0.19 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3kbu h ARG 1646Cb 0.48 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3kbu h ARG 1646CO 0.02 0.93 -0.03 0.00 -1.07 0.00 0.00 179.97 179.82 3kbu h ALA 1647N 1.05 0.48 -0.85 0.04 0.00 -0.74 -1.15 119.26 118.08 3kbu h ALA 1647Ca 0.20 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kbu h ALA 1647Cb 0.37 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3kbu h ALA 1647CO 0.00 0.28 0.56 0.37 0.00 0.00 0.00 179.25 180.47 3kbu h GLN 1648N 0.45 1.07 -0.14 0.00 5.75 -1.02 0.10 115.11 121.32 3kbu h GLN 1648Ca 0.10 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3kbu h GLN 1648Cb 0.51 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3kbu h GLN 1648CO 0.02 0.71 0.07 0.78 -2.65 0.00 0.00 178.83 177.76 3kbu h GLY 1649N 1.10 0.21 0.98 2.39 0.00 -1.01 -0.07 103.07 106.67 3kbu h GLY 1649Ca 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 3kbu h GLY 1649CO -0.09 0.10 0.25 1.41 0.00 0.00 0.00 176.54 178.21 3kbu h LEU 1650N 0.11 0.55 0.24 3.11 3.38 -0.72 -0.28 115.31 121.69 3kbu h LEU 1650Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kbu h LEU 1650Cb 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3kbu h LEU 1650CO -0.01 0.46 -0.11 0.25 0.09 0.00 0.00 178.44 179.12 3kbu h LEU 1651N 0.58 -0.27 -2.21 1.67 5.85 -0.87 -2.97 115.31 117.09 3kbu h LEU 1651Ca 0.16 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3kbu h LEU 1651Cb 0.03 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3kbu h LEU 1651CO -0.03 -0.05 0.09 0.77 -0.34 0.00 0.00 178.44 178.88 3kbu h SER 1652N -0.49 0.00 0.00 1.25 4.64 -0.95 -0.56 113.55 117.45 3kbu h SER 1652Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kbu h SER 1652Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3kbu h SER 1652CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 3kbu n ALA 1653N -2.43 2.33 -1.58 5.18 0.00 -0.12 -4.92 120.51 118.98 3kbu n ALA 1653Ca -0.01 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 3kbu n ALA 1653Cb 0.20 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 0.38 1.52 3.73 0.00 0.00 -0.22 -4.98 105.19 105.63 3kbu n GLY 1654Ca 0.06 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.64 2.62 0.15 1.61 -0.00 -1.13 -4.88 115.22 110.95 3kbu n HIS 1655Ca -0.18 0.41 0.13 0.00 -0.00 0.00 0.00 57.72 58.08 3kbu n HIS 1655Cb 0.58 -2.51 0.67 0.00 -0.00 0.00 0.00 29.99 28.72 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 3.68 0.00 -0.13 1.57 0.11 -1.93 -1.33 132.00 133.98 3kbu h PRO 1656Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kbu h PRO 1656Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kbu h PRO 1656CO 0.71 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 3kbu n GLU 1657N -4.45 1.62 -0.31 1.05 4.71 -1.26 -4.59 120.64 117.41 3kbu n GLU 1657Ca 0.02 -0.93 0.11 0.00 -0.01 0.00 0.00 57.16 56.36 3kbu n GLU 1657Cb 0.31 -1.39 0.23 0.00 -1.01 0.00 0.00 31.44 29.58 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 1.09 -1.27 0.21 0.62 0.00 -0.50 0.25 105.19 105.60 3kbu n GLY 1658Ca 0.16 0.88 -0.11 0.00 0.00 0.00 0.00 46.02 46.95 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 -0.28 -0.17 1.61 4.81 -1.85 -1.34 114.58 117.35 3kbu h GLU 1659Ca 0.51 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.77 3kbu h GLU 1659Cb 1.01 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3kbu h GLU 1659CO -0.85 -0.19 0.09 0.37 -0.73 0.00 0.00 179.01 177.70 3kbu h GLN 1660N -0.29 0.18 -0.21 1.92 4.15 -0.54 -2.60 115.11 117.71 3kbu h GLN 1660Ca 0.05 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 3kbu h GLN 1660Cb 0.35 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 3kbu h GLN 1660CO -0.15 0.12 0.11 0.82 -1.93 0.00 0.00 178.83 177.81 3kbu h ILE 1661N 0.19 1.12 -0.70 2.39 2.04 -0.64 -1.98 117.51 119.93 3kbu h ILE 1661Ca 0.07 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3kbu h ILE 1661Cb 0.01 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3kbu h ILE 1661CO -0.05 0.11 0.44 0.40 0.00 0.00 0.00 178.15 179.05 3kbu h ILE 1662N 0.23 1.10 -0.81 -0.67 1.08 -1.28 -1.10 117.51 116.07 3kbu h ILE 1662Ca 0.07 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.27 3kbu h ILE 1662Cb 0.08 0.17 -0.04 0.00 -3.07 0.00 0.00 36.82 33.95 3kbu h ILE 1662CO -0.01 0.16 0.53 -0.09 -0.69 0.00 0.00 178.15 178.04 3kbu h ARG 1663N 0.86 1.03 -0.48 2.37 2.43 -1.23 0.84 114.38 120.20 3kbu h ARG 1663Ca 0.28 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 3kbu h ARG 1663Cb 0.01 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3kbu h ARG 1663CO -0.11 0.68 0.12 -0.07 -1.51 0.00 0.00 179.97 179.09 3kbu h LEU 1664N 1.06 0.72 -0.72 3.80 3.38 -0.90 -2.14 115.31 120.51 3kbu h LEU 1664Ca 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kbu h LEU 1664Cb -0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3kbu h LEU 1664CO -0.09 0.76 0.40 -0.61 0.09 0.00 0.00 178.44 178.99 3kbu h GLN 1665N 0.64 0.99 -1.00 1.13 5.75 -0.84 -1.56 115.11 120.23 3kbu h GLN 1665Ca 0.15 -0.11 0.18 0.00 -0.15 0.00 0.00 58.65 58.72 3kbu h GLN 1665Cb 0.31 -0.20 -0.10 0.00 1.07 0.00 0.00 27.48 28.56 3kbu h GLN 1665CO -0.00 0.73 0.62 0.78 -2.65 0.00 0.00 178.83 178.31 3kbu h GLY 1666N 0.99 1.72 1.41 2.39 0.00 -0.22 0.68 103.07 110.04 3kbu h GLY 1666Ca 0.25 -0.37 -0.19 0.00 0.00 0.00 0.00 47.33 47.02 3kbu h GLY 1666CO -0.04 -0.02 -0.71 1.46 0.00 0.00 0.00 176.54 177.23 3kbu h GLN 1667N 0.79 0.58 -0.27 4.80 4.20 -0.82 -1.65 115.11 122.74 3kbu h GLN 1667Ca 0.56 -0.45 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 3kbu h GLN 1667Cb 0.83 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3kbu h GLN 1667CO -0.35 1.07 -0.09 0.28 -0.67 0.00 0.00 178.83 179.08 3kbu h VAL 1668N 0.41 1.29 -0.16 -0.54 2.07 -0.12 -1.31 116.25 117.89 3kbu h VAL 1668Ca -0.03 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.38 3kbu h VAL 1668Cb 1.30 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 3kbu h VAL 1668CO 0.13 0.36 0.05 0.44 0.02 0.00 0.00 177.57 178.57 3kbu h ASP 1669N 0.28 0.06 0.49 0.57 3.32 -0.96 -0.05 116.42 120.14 3kbu h ASP 1669Ca 0.07 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3kbu h ASP 1669Cb 0.57 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 3kbu h ASP 1669CO 0.03 0.06 -0.29 0.50 -1.72 0.00 0.00 179.24 177.82 3kbu h LYS 1670N 0.13 -0.72 -0.68 3.56 3.64 -1.14 -0.78 116.57 120.59 3kbu h LYS 1670Ca 0.07 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3kbu h LYS 1670Cb 0.04 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 3kbu h LYS 1670CO -0.07 -0.48 0.45 0.45 -2.27 0.00 0.00 179.45 177.53 3kbu h HIS 1671N -0.75 0.69 -0.43 1.91 3.86 -1.08 -0.65 115.15 118.71 3kbu h HIS 1671Ca -0.06 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 3kbu h HIS 1671Cb 0.60 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3kbu h HIS 1671CO -0.09 0.37 -0.10 -0.92 0.86 0.00 0.00 177.93 178.05 3kbu h TYR 1672N 0.68 0.93 -0.21 2.45 3.20 -0.55 -1.85 116.97 121.61 3kbu h TYR 1672Ca 0.29 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3kbu h TYR 1672Cb 0.27 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3kbu h TYR 1672CO -0.00 0.94 -0.09 0.00 -1.64 0.00 0.00 178.16 177.36 3kbu h ALA 1673N 0.86 1.45 0.07 1.82 0.00 0.16 -1.03 119.26 122.59 3kbu h ALA 1673Ca 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kbu h ALA 1673Cb 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kbu h ALA 1673CO 0.04 0.39 -0.03 0.78 0.00 0.00 0.00 179.25 180.43 3kbu h GLY 1674N 0.78 -0.09 0.70 0.00 0.00 -0.93 -1.03 103.07 102.50 3kbu h GLY 1674Ca 0.07 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.49 3kbu h GLY 1674CO 0.02 -0.03 0.45 -2.00 0.00 0.00 0.00 176.54 174.98 3kbu h LEU 1675N -0.21 0.69 -1.15 3.11 5.85 -0.94 -0.22 115.31 122.45 3kbu h LEU 1675Ca -0.01 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3kbu h LEU 1675Cb 0.18 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 3kbu h LEU 1675CO 0.01 0.44 0.58 0.11 -0.34 0.00 0.00 178.44 179.25 3kbu h LYS 1676N 0.83 1.06 -0.25 1.25 1.57 -0.84 -1.20 116.57 118.97 3kbu h LYS 1676Ca 0.34 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3kbu h LYS 1676Cb 0.18 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3kbu h LYS 1676CO -0.18 0.70 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.88 3kbu h ASP 1677N 1.09 0.52 -0.54 0.86 3.32 -0.11 -2.33 116.42 119.22 3kbu h ASP 1677Ca 0.36 -0.38 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3kbu h ASP 1677Cb 0.07 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3kbu h ASP 1677CO -0.12 0.78 0.32 0.58 -1.72 0.00 0.00 179.24 179.08 3kbu h VAL 1678N 0.25 1.04 -0.45 -1.35 2.07 -0.74 -1.71 116.25 115.36 3kbu h VAL 1678Ca 0.06 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3kbu h VAL 1678Cb 0.57 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3kbu h VAL 1678CO 0.03 0.11 0.14 0.00 0.02 0.00 0.00 177.57 177.88 3kbu h ALA 1679N 1.25 1.41 -0.15 1.67 0.00 -1.16 -2.07 119.26 120.22 3kbu h ALA 1679Ca 0.22 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3kbu h ALA 1679Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3kbu h ALA 1679CO -0.11 0.43 -0.38 0.00 0.00 0.00 0.00 179.25 179.19 3kbu h GLU 1681N 0.16 0.06 -0.66 0.00 4.57 -1.14 0.19 114.58 117.77 3kbu h GLU 1681Ca -0.00 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3kbu h GLU 1681Cb 0.99 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.54 3kbu h GLU 1681CO 0.08 0.04 0.41 -0.09 -1.18 0.00 0.00 179.01 178.28 3kbu h ARG 1682N 0.07 0.89 -0.74 1.92 9.65 -1.43 0.41 114.38 125.14 3kbu h ARG 1682Ca 0.08 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 58.84 3kbu h ARG 1682Cb 0.10 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.46 3kbu h ARG 1682CO -0.14 0.62 0.25 -0.22 2.80 0.00 0.00 179.97 183.29 3kbu h LYS 1683N 0.90 1.14 -0.01 0.20 3.64 -0.82 0.57 116.57 122.19 3kbu h LYS 1683Ca 0.24 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3kbu h LYS 1683Cb -0.05 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3kbu h LYS 1683CO -0.05 0.96 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.94 3kbu h ARG 1684N 1.09 -0.09 -0.85 1.90 2.43 0.22 -1.18 114.38 117.90 3kbu h ARG 1684Ca 0.24 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3kbu h ARG 1684Cb 0.28 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 3kbu h ARG 1684CO -0.01 -0.06 0.55 -0.22 -1.51 0.00 0.00 179.97 178.72 3kbu h LYS 1685N -0.10 1.13 -0.13 0.20 3.64 -0.37 -1.71 116.57 119.23 3kbu h LYS 1685Ca 0.03 -0.08 -0.19 0.00 -1.27 0.00 0.00 60.65 59.13 3kbu h LYS 1685Cb 0.13 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3kbu h LYS 1685CO -0.07 0.76 -0.71 -0.07 -2.27 0.00 0.00 179.45 177.10 3kbu h LEU 1686N 1.16 0.69 -0.10 5.20 3.38 -0.79 -0.64 115.31 124.21 3kbu h LEU 1686Ca 0.31 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kbu h LEU 1686Cb -0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3kbu h LEU 1686CO -0.06 1.20 -0.07 -0.33 0.09 0.00 0.00 178.44 179.26 3kbu h GLU 1687N 0.41 -0.07 -0.23 1.13 5.08 -0.84 -0.65 114.58 119.42 3kbu h GLU 1687Ca -0.03 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3kbu h GLU 1687Cb 1.30 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.52 3kbu h GLU 1687CO 0.13 -0.05 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.12 3kbu h ASN 1688N -0.07 -0.23 -0.47 1.42 4.21 -1.15 0.27 115.58 119.56 3kbu h ASN 1688Ca 0.06 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.62 3kbu h ASN 1688Cb 0.17 0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 3kbu h ASN 1688CO -0.15 -0.08 0.22 0.24 -1.29 0.00 0.00 177.43 176.37 3kbu h MET 1689N -0.01 0.72 -0.09 0.81 2.86 -0.86 0.52 114.93 118.89 3kbu h MET 1689Ca 0.11 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3kbu h MET 1689Cb 0.18 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 3kbu h MET 1689CO -0.24 0.58 -0.14 -0.92 1.06 0.00 0.00 176.91 177.26 3kbu h TYR 1690N 0.72 0.30 -0.68 -0.22 3.20 -0.39 -2.43 116.97 117.47 3kbu h TYR 1690Ca 0.18 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3kbu h TYR 1690Cb 0.12 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 3kbu h TYR 1690CO 0.01 0.73 0.29 0.45 -1.64 0.00 0.00 178.16 178.00 3kbu h HIS 1691N -0.21 0.99 -0.54 -3.82 3.86 0.14 -0.82 115.15 114.76 3kbu h HIS 1691Ca 0.01 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 3kbu h HIS 1691Cb 0.70 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 3kbu h HIS 1691CO 0.10 0.74 0.01 1.25 0.86 0.00 0.00 177.93 180.90 3kbu h LEU 1692N 0.98 0.88 -0.32 2.43 5.85 -0.88 -0.87 115.31 123.37 3kbu h LEU 1692Ca 0.23 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3kbu h LEU 1692Cb 0.15 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3kbu h LEU 1692CO -0.02 0.94 0.11 -0.26 -0.34 0.00 0.00 178.44 178.87 3kbu h PHE 1693N 0.85 0.51 0.61 1.25 0.04 -0.83 -0.44 116.94 118.94 3kbu h PHE 1693Ca 0.16 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 3kbu h PHE 1693Cb 0.49 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3kbu h PHE 1693CO 0.03 0.51 -0.36 0.37 -0.60 0.00 0.00 178.31 178.25 3kbu h GLN 1694N 0.37 -0.89 -0.62 1.51 4.15 -1.06 -2.04 115.11 116.53 3kbu h GLN 1694Ca 0.11 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.66 3kbu h GLN 1694Cb 0.23 0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 3kbu h GLN 1694CO -0.00 -0.59 0.31 1.25 -1.93 0.00 0.00 178.83 177.86 3kbu h LEU 1695N -0.92 0.42 -1.65 -2.39 5.85 -1.11 -1.08 115.31 114.42 3kbu h LEU 1695Ca -0.08 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kbu h LEU 1695Cb 0.74 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3kbu h LEU 1695CO 0.09 0.27 0.15 0.50 -0.34 0.00 0.00 178.44 179.11 3kbu h LYS 1696N 0.56 0.38 -0.16 1.25 3.64 -0.94 0.26 116.57 121.56 3kbu h LYS 1696Ca 0.29 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3kbu h LYS 1696Cb 0.25 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3kbu h LYS 1696CO -0.22 0.29 -0.28 -0.09 -2.27 0.00 0.00 179.45 176.88 3kbu h ARG 1697N 0.39 0.48 -0.65 1.90 2.43 -0.49 -1.22 114.38 117.22 3kbu h ARG 1697Ca 0.10 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 3kbu h ARG 1697Cb 0.01 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 3kbu h ARG 1697CO -0.02 0.89 0.35 0.93 -1.51 0.00 0.00 179.97 180.62 3kbu h GLU 1698N 0.11 0.91 0.05 0.20 5.08 -0.61 -1.77 114.58 118.53 3kbu h GLU 1698Ca 0.01 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3kbu h GLU 1698Cb 0.86 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3kbu h GLU 1698CO 0.06 0.69 -0.02 1.15 -1.00 0.00 0.00 179.01 179.89 3kbu h THR 1699N 0.88 1.17 -0.97 1.13 2.02 -1.01 -1.72 112.91 114.41 3kbu h THR 1699Ca 0.23 -0.73 0.08 0.00 0.77 0.00 0.00 66.41 66.75 3kbu h THR 1699Cb 0.05 1.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 3kbu h THR 1699CO -0.04 0.18 0.62 0.44 0.37 0.00 0.00 175.52 177.10 3kbu h ASP 1700N -0.39 0.97 -0.18 4.18 3.32 -1.01 0.58 116.42 123.90 3kbu h ASP 1700Ca -0.01 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3kbu h ASP 1700Cb 0.35 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3kbu h ASP 1700CO 0.01 0.60 -0.04 0.44 -1.72 0.00 0.00 179.24 178.53 3kbu h ASP 1701N 1.09 0.34 -0.73 6.45 3.32 -1.24 0.11 116.42 125.77 3kbu h ASP 1701Ca 0.43 -0.36 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3kbu h ASP 1701Cb 0.24 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 3kbu h ASP 1701CO -0.19 0.62 0.38 0.25 -1.72 0.00 0.00 179.24 178.58 3kbu h LEU 1702N 0.05 0.94 -0.26 1.55 5.85 -0.94 -0.01 115.31 122.48 3kbu h LEU 1702Ca 0.04 -0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 3kbu h LEU 1702Cb 0.47 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3kbu h LEU 1702CO 0.02 0.77 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.08 3kbu h GLU 1703N 1.04 0.78 -0.79 1.25 5.08 -0.67 -1.90 114.58 119.38 3kbu h GLU 1703Ca 0.26 -0.49 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3kbu h GLU 1703Cb 0.06 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3kbu h GLU 1703CO -0.04 1.12 0.52 0.37 -1.00 0.00 0.00 179.01 179.98 3kbu h GLN 1704N 0.53 1.02 0.41 2.33 5.75 -0.31 -1.29 115.11 123.55 3kbu h GLN 1704Ca 0.01 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 3kbu h GLN 1704Cb 1.08 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.41 3kbu h GLN 1704CO 0.11 0.68 -0.20 2.35 -2.65 0.00 0.00 178.83 179.11 3kbu h TRP 1705N 1.05 -0.51 -0.54 3.99 7.01 -0.90 -1.80 115.95 124.26 3kbu h TRP 1705Ca 0.29 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.39 3kbu h TRP 1705Cb -0.10 0.17 -0.09 0.00 -2.10 0.00 0.00 29.16 27.04 3kbu h TRP 1705CO -0.00 -0.31 -0.03 0.82 -2.79 0.00 0.00 178.44 176.14 3kbu h ILE 1706N -0.58 0.55 -0.65 2.65 2.04 -0.97 -0.68 117.51 119.87 3kbu h ILE 1706Ca -0.06 -0.03 0.11 0.00 1.00 0.00 0.00 64.86 65.88 3kbu h ILE 1706Cb 0.44 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.88 3kbu h ILE 1706CO 0.09 0.02 0.22 0.28 0.00 0.00 0.00 178.15 178.76 3kbu h SER 1707N 0.09 0.19 -0.47 1.72 0.02 -0.94 -0.08 113.55 114.08 3kbu h SER 1707Ca 0.27 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3kbu h SER 1707Cb 0.42 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3kbu h SER 1707CO -0.47 0.10 0.29 -0.33 -1.14 0.00 0.00 176.83 175.27 3kbu h GLU 1708N 0.38 0.63 -0.57 3.45 5.08 -0.30 -2.25 114.58 121.01 3kbu h GLU 1708Ca 0.34 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 3kbu h GLU 1708Cb 0.46 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3kbu h GLU 1708CO -0.36 0.45 0.14 0.87 -1.00 0.00 0.00 179.01 179.11 3kbu h LYS 1709N 0.62 0.87 -0.15 2.33 1.79 -0.18 -2.42 116.57 119.44 3kbu h LYS 1709Ca 0.17 -0.18 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 3kbu h LYS 1709Cb -0.03 -0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.44 3kbu h LYS 1709CO -0.03 0.78 -0.16 0.93 -1.08 0.00 0.00 179.45 179.89 3kbu h GLU 1710N 0.84 -0.18 -0.99 3.15 5.08 -0.70 -1.22 114.58 120.57 3kbu h GLU 1710Ca 0.18 0.01 0.27 0.00 -1.00 0.00 0.00 59.36 58.83 3kbu h GLU 1710Cb 0.30 0.04 -0.13 0.00 0.50 0.00 0.00 28.75 29.46 3kbu h GLU 1710CO -0.00 -0.12 0.55 1.25 -1.00 0.00 0.00 179.01 179.69 3kbu h LEU 1711N -0.18 0.56 -0.34 1.33 5.85 -0.92 0.45 115.31 122.05 3kbu h LEU 1711Ca 0.10 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 3kbu h LEU 1711Cb 0.33 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3kbu h LEU 1711CO -0.26 -0.00 -0.14 0.58 -0.34 0.00 0.00 178.44 178.28 3kbu h VAL 1712N 0.46 1.29 0.00 1.05 2.07 -1.04 -2.56 116.25 117.51 3kbu h VAL 1712Ca 0.66 -1.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3kbu h VAL 1712Cb 1.36 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3kbu h VAL 1712CO -0.54 0.40 -0.13 0.00 0.02 0.00 0.00 177.57 177.33 3kbu h ALA 1713N 0.79 1.34 0.00 1.67 0.00 0.80 -2.88 119.26 120.98 3kbu h ALA 1713Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kbu h ALA 1713Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kbu h ALA 1713CO 0.04 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 3kbu n SER 1714N -3.74 0.00 -4.59 0.00 3.41 0.52 -4.77 113.62 104.46 3kbu n SER 1714Ca -0.02 -0.32 -0.58 0.00 -0.26 0.00 0.00 58.87 57.69 3kbu n SER 1714Cb 0.24 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.22 0.96 0.02 4.04 2.88 -1.09 -4.85 113.62 114.36 3kbu n SER 1715Ca 0.16 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.97 3kbu n SER 1715Cb 0.21 -1.03 0.43 0.00 -0.75 0.00 0.00 64.21 63.07 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 2.61 0.07 -1.66 -1.46 -0.04 -1.26 -4.94 135.00 128.30 3kbu n PRO 1716Ca 0.22 0.04 -0.47 0.00 -0.04 0.00 0.00 63.50 63.24 3kbu n PRO 1716Cb 0.10 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.96 3kbu n PRO 1716CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kbu n GLU 1717N -1.67 2.03 -0.00 0.54 4.07 -1.26 -4.90 120.64 119.45 3kbu n GLU 1717Ca 0.06 0.73 0.03 0.00 -0.06 0.00 0.00 57.16 57.92 3kbu n GLU 1717Cb 0.36 -2.51 -0.04 0.00 -0.06 0.00 0.00 31.44 29.20 3kbu n GLU 1717CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3kbu n MET 1718N 4.12 0.36 0.00 5.31 2.81 -1.26 -5.00 117.12 123.45 3kbu n MET 1718Ca 0.19 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 3kbu n MET 1718Cb 0.27 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 2.16 2.50 0.20 3.03 0.00 -1.26 -4.70 105.19 107.12 3kbu n GLY 1719Ca -0.01 -1.35 0.07 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.61 1.61 3.07 -1.99 -3.46 115.11 111.73 3kbu h GLN 1720Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 58.65 58.84 3kbu h GLN 1720Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.47 3kbu h GLN 1720CO 0.00 0.32 0.38 0.16 0.09 0.00 0.00 178.83 179.78 3kbu s ASP 1721N -6.34 -0.30 0.20 0.06 1.47 -1.26 -5.05 116.67 105.45 3kbu s ASP 1721Ca 0.01 -0.31 -0.14 0.00 1.18 0.00 0.00 52.55 53.29 3kbu s ASP 1721Cb 0.10 0.55 0.21 0.00 -0.34 0.00 0.00 42.92 43.44 3kbu s ASP 1721CO 0.67 -0.97 1.64 0.15 0.68 0.00 0.00 175.17 177.34 3kbu h PHE 1722N 2.00 -0.25 -1.01 2.11 3.57 -1.91 -0.05 116.94 121.39 3kbu h PHE 1722Ca -0.24 0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.43 3kbu h PHE 1722Cb 1.25 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.11 3kbu h PHE 1722CO 0.35 -0.23 0.63 -0.44 -2.23 0.00 0.00 178.31 176.39 3kbu h ASP 1723N 0.02 0.93 0.10 0.41 3.32 -1.98 -0.45 116.42 118.77 3kbu h ASP 1723Ca 0.28 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 3kbu h ASP 1723Cb 0.43 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3kbu h ASP 1723CO -0.57 0.49 -0.05 -0.74 -1.72 0.00 0.00 179.24 176.65 3kbu h HIS 1724N 1.00 -0.12 -0.97 4.55 2.76 -1.49 -2.79 115.15 118.08 3kbu h HIS 1724Ca 0.50 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.69 3kbu h HIS 1724Cb 0.50 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.45 3kbu h HIS 1724CO -0.00 0.32 0.64 -0.24 -1.30 0.00 0.00 177.93 177.34 3kbu h VAL 1725N -0.62 1.21 -0.77 5.26 3.04 -0.86 0.40 116.25 123.91 3kbu h VAL 1725Ca -0.01 -0.44 0.14 0.00 -1.01 0.00 0.00 66.70 65.38 3kbu h VAL 1725Cb 0.50 -0.17 -0.09 0.00 -2.01 0.00 0.00 31.29 29.51 3kbu h VAL 1725CO 0.02 0.23 0.34 0.74 -1.01 0.00 0.00 177.57 177.89 3kbu h THR 1726N 1.27 0.69 -0.05 3.17 2.02 -1.05 0.27 112.91 119.23 3kbu h THR 1726Ca 0.37 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 3kbu h THR 1726Cb -0.09 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 3kbu h THR 1726CO -0.10 0.09 -0.14 0.25 0.37 0.00 0.00 175.52 175.99 3kbu h LEU 1727N 0.50 0.21 -0.56 2.58 5.85 -0.88 -1.70 115.31 121.31 3kbu h LEU 1727Ca 0.42 -0.61 0.08 0.00 0.84 0.00 0.00 57.88 58.61 3kbu h LEU 1727Cb 0.62 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3kbu h LEU 1727CO -0.38 0.78 0.22 -0.07 -0.34 0.00 0.00 178.44 178.65 3kbu h LEU 1728N -0.36 0.25 -0.19 2.25 3.38 0.58 0.24 115.31 121.45 3kbu h LEU 1728Ca -0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kbu h LEU 1728Cb 0.76 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3kbu h LEU 1728CO 0.03 0.16 0.09 -0.09 0.09 0.00 0.00 178.44 178.72 3kbu h ARG 1729N 0.42 0.28 -0.54 1.13 1.12 -0.56 -1.22 114.38 115.00 3kbu h ARG 1729Ca 0.27 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 59.10 3kbu h ARG 1729Cb 0.29 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.17 3kbu h ARG 1729CO -0.26 0.31 0.33 -0.44 -3.11 0.00 0.00 179.97 176.81 3kbu h ASP 1730N 0.18 0.65 -0.75 -3.80 3.32 -0.57 -0.69 116.42 114.77 3kbu h ASP 1730Ca 0.07 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3kbu h ASP 1730Cb 0.13 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3kbu h ASP 1730CO -0.01 0.50 0.31 0.11 -1.72 0.00 0.00 179.24 178.44 3kbu h LYS 1731N 0.73 1.10 -0.25 3.56 1.57 -0.49 -2.34 116.57 120.45 3kbu h LYS 1731Ca 0.20 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3kbu h LYS 1731Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3kbu h LYS 1731CO -0.04 0.89 -0.32 0.35 -0.57 0.00 0.00 179.45 179.77 3kbu h PHE 1732N 1.07 0.60 -0.85 -1.35 3.57 -0.85 0.17 116.94 119.29 3kbu h PHE 1732Ca 0.25 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3kbu h PHE 1732Cb 0.19 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3kbu h PHE 1732CO 0.02 0.78 0.45 -0.09 -2.23 0.00 0.00 178.31 177.23 3kbu h ARG 1733N 0.45 1.20 0.17 1.11 2.43 -0.71 0.21 114.38 119.23 3kbu h ARG 1733Ca 0.05 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3kbu h ARG 1733Cb 0.77 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3kbu h ARG 1733CO 0.06 0.89 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.89 3kbu h ASP 1734N 1.20 -0.19 -0.57 -3.80 3.32 -1.18 -1.97 116.42 113.23 3kbu h ASP 1734Ca 0.30 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.36 3kbu h ASP 1734Cb 0.05 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 3kbu h ASP 1734CO -0.05 -0.07 0.27 0.15 -1.72 0.00 0.00 179.24 177.83 3kbu h PHE 1735N -0.30 0.49 -0.71 4.55 3.57 -0.52 -2.17 116.94 121.84 3kbu h PHE 1735Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3kbu h PHE 1735Cb 0.24 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 3kbu h PHE 1735CO -0.04 0.21 0.47 0.00 -2.23 0.00 0.00 178.31 176.72 3kbu h ALA 1736N 1.33 0.91 -0.22 2.41 0.00 -0.50 -1.15 119.26 122.04 3kbu h ALA 1736Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3kbu h ALA 1736Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kbu h ALA 1736CO -0.21 0.32 -0.31 -0.09 0.00 0.00 0.00 179.25 178.96 3kbu h ARG 1737N 0.96 0.60 0.41 0.00 2.43 -0.95 -0.98 114.38 116.85 3kbu h ARG 1737Ca 0.26 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3kbu h ARG 1737Cb -0.11 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3kbu h ARG 1737CO -0.06 0.95 -0.20 0.93 -1.51 0.00 0.00 179.97 180.09 3kbu h GLU 1738N 0.29 -0.53 -0.88 0.20 5.08 -1.46 0.11 114.58 117.38 3kbu h GLU 1738Ca 0.02 0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.66 3kbu h GLU 1738Cb 0.89 0.12 -0.14 0.00 0.50 0.00 0.00 28.75 30.12 3kbu h GLU 1738CO 0.07 -0.22 0.26 1.15 -1.00 0.00 0.00 179.01 179.27 3kbu h THR 1739N -0.90 0.33 0.23 1.13 2.02 -1.28 0.00 112.91 114.44 3kbu h THR 1739Ca -0.06 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3kbu h THR 1739Cb 0.56 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3kbu h THR 1739CO 0.09 0.04 -0.11 1.23 0.37 0.00 0.00 175.52 177.14 3kbu h GLY 1740N 0.23 -0.33 0.73 2.16 0.00 -1.02 -0.78 103.07 104.06 3kbu h GLY 1740Ca 0.56 0.12 0.01 0.00 0.00 0.00 0.00 47.33 48.03 3kbu h GLY 1740CO -0.64 -0.12 -0.15 0.00 0.00 0.00 0.00 176.54 175.63 3kbu h ALA 1741N 0.14 -0.23 -0.49 3.60 0.00 0.98 -0.14 119.26 123.12 3kbu h ALA 1741Ca -0.03 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3kbu h ALA 1741Cb 0.41 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3kbu h ALA 1741CO 0.05 -0.66 -0.14 0.82 0.00 0.00 0.00 179.25 179.32 3kbu h ILE 1742N -0.28 1.27 0.28 0.00 2.04 -1.23 -2.90 117.51 116.68 3kbu h ILE 1742Ca 0.03 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 3kbu h ILE 1742Cb 0.31 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 3kbu h ILE 1742CO -0.09 0.44 -0.13 1.23 0.00 0.00 0.00 178.15 179.60 3kbu h GLY 1743N 0.81 -0.39 0.34 5.37 0.00 -0.96 -2.09 103.07 106.15 3kbu h GLY 1743Ca 0.12 0.14 0.14 0.00 0.00 0.00 0.00 47.33 47.74 3kbu h GLY 1743CO 0.05 -0.14 0.58 -1.61 0.00 0.00 0.00 176.54 175.42 3kbu h GLN 1744N -0.60 0.83 -0.14 4.80 5.75 -1.05 0.12 115.11 124.82 3kbu h GLN 1744Ca -0.04 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 3kbu h GLN 1744Cb 0.43 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 3kbu h GLN 1744CO 0.06 0.55 0.02 1.49 -2.65 0.00 0.00 178.83 178.30 3kbu h GLU 1745N 0.85 0.24 -0.41 1.69 4.81 -1.42 -1.15 114.58 119.19 3kbu h GLU 1745Ca 0.51 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.71 3kbu h GLU 1745Cb 0.62 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3kbu h GLU 1745CO -0.31 0.42 0.19 0.00 -0.73 0.00 0.00 179.01 178.58 3kbu h ARG 1746N 0.01 0.37 -0.59 1.92 3.08 -0.43 -1.52 114.38 117.22 3kbu h ARG 1746Ca 0.04 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3kbu h ARG 1746Cb 0.30 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3kbu h ARG 1746CO 0.00 0.24 0.38 0.28 -1.07 0.00 0.00 179.97 179.81 3kbu h VAL 1747N 0.38 1.12 -0.12 2.04 2.07 -0.75 -2.40 116.25 118.60 3kbu h VAL 1747Ca 0.18 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.47 3kbu h VAL 1747Cb 0.12 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 3kbu h VAL 1747CO -0.15 0.14 -0.08 0.44 0.02 0.00 0.00 177.57 177.94 3kbu h ASP 1748N 0.77 -0.27 -0.48 0.57 3.32 -0.61 0.25 116.42 119.97 3kbu h ASP 1748Ca 0.22 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.38 3kbu h ASP 1748Cb -0.05 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3kbu h ASP 1748CO -0.07 -0.12 0.23 0.78 -1.72 0.00 0.00 179.24 178.35 3kbu h ASN 1749N -0.09 0.32 -0.62 6.45 2.35 -1.05 0.32 115.58 123.26 3kbu h ASN 1749Ca 0.08 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3kbu h ASN 1749Cb 0.20 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3kbu h ASN 1749CO -0.18 0.22 0.05 0.58 -1.65 0.00 0.00 177.43 176.46 3kbu h VAL 1750N 0.45 1.26 -0.67 2.81 2.07 -1.14 0.34 116.25 121.37 3kbu h VAL 1750Ca 0.21 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3kbu h VAL 1750Cb 0.14 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3kbu h VAL 1750CO -0.16 0.40 0.31 0.78 0.02 0.00 0.00 177.57 178.92 3kbu h ASN 1751N 0.99 0.90 -0.46 0.57 2.35 0.54 0.30 115.58 120.77 3kbu h ASN 1751Ca 0.19 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3kbu h ASN 1751Cb 0.50 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3kbu h ASN 1751CO 0.02 0.79 0.16 0.00 -1.65 0.00 0.00 177.43 176.76 3kbu h ALA 1752N 1.14 0.60 -0.74 -0.83 0.00 0.03 -0.91 119.26 118.55 3kbu h ALA 1752Ca 0.23 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kbu h ALA 1752Cb 0.15 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kbu h ALA 1752CO -0.03 0.24 0.48 0.35 0.00 0.00 0.00 179.25 180.29 3kbu h PHE 1753N 0.61 0.91 -0.51 0.00 3.57 -0.75 0.37 116.94 121.14 3kbu h PHE 1753Ca 0.15 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 3kbu h PHE 1753Cb 0.24 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3kbu h PHE 1753CO 0.01 0.55 -0.07 0.82 -2.23 0.00 0.00 178.31 177.38 3kbu h ILE 1754N 0.96 1.26 -0.50 1.41 2.04 -0.45 -2.12 117.51 120.11 3kbu h ILE 1754Ca 0.29 -1.18 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 3kbu h ILE 1754Cb -0.05 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3kbu h ILE 1754CO -0.08 0.42 -0.15 -0.33 0.00 0.00 0.00 178.15 178.00 3kbu h GLU 1755N 0.84 0.98 -1.00 2.37 4.39 -0.66 -1.43 114.58 120.07 3kbu h GLU 1755Ca 0.14 -0.39 0.11 0.00 0.34 0.00 0.00 59.36 59.56 3kbu h GLU 1755Cb 0.59 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.11 3kbu h GLU 1755CO 0.04 1.07 0.63 0.00 -1.16 0.00 0.00 179.01 179.59 3kbu h ARG 1756N 0.84 1.00 0.08 2.33 3.08 -0.61 0.26 114.38 121.37 3kbu h ARG 1756Ca 0.12 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3kbu h ARG 1756Cb 0.72 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3kbu h ARG 1756CO 0.06 0.66 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.51 3kbu h LEU 1757N 1.03 -0.09 -0.15 3.04 3.38 -1.13 -1.37 115.31 120.02 3kbu h LEU 1757Ca 0.48 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kbu h LEU 1757Cb 0.42 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3kbu h LEU 1757CO -0.25 0.33 0.09 0.40 0.09 0.00 0.00 178.44 179.10 3kbu h ILE 1758N -0.52 1.08 0.00 1.22 2.04 -0.93 -2.22 117.51 118.18 3kbu h ILE 1758Ca -0.01 -0.21 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3kbu h ILE 1758Cb 0.44 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3kbu h ILE 1758CO 0.02 0.07 -0.29 0.44 0.00 0.00 0.00 178.15 178.39 3kbu h ASP 1759N 0.16 0.00 1.27 1.72 3.32 -0.54 -1.18 116.42 121.16 3kbu h ASP 1759Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3kbu h ASP 1759Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3kbu h ASP 1759CO -0.01 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 3kbu n ALA 1760N -2.43 2.27 -0.77 3.45 0.00 -0.52 -5.00 120.51 117.52 3kbu n ALA 1760Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3kbu n ALA 1760Cb 0.35 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3kbu n ALA 1760CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbu n GLY 1761N 1.33 -1.59 2.67 0.00 0.00 -0.45 -5.07 105.19 102.08 3kbu n GLY 1761Ca 0.06 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 0.12 0.61 1.61 5.04 -1.25 -4.99 115.29 116.44 3kbu s HIS 1762Ca 0.00 0.17 0.00 0.00 -1.54 0.00 0.00 55.06 53.69 3kbu s HIS 1762Cb 0.00 -0.53 0.01 0.00 0.04 0.00 0.00 32.58 32.10 3kbu s HIS 1762CO 0.00 -0.23 0.97 0.66 -2.34 0.00 0.00 174.74 173.80 3kbu h SER 1763N 8.43 0.00 -0.09 9.88 4.64 -1.99 -1.29 113.55 133.13 3kbu h SER 1763Ca -0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3kbu h SER 1763Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3kbu h SER 1763CO 0.17 0.00 -0.06 -0.62 -0.87 0.00 0.00 176.83 175.45 3kbu n GLU 1764N -2.40 1.78 -0.32 4.77 -0.58 -1.26 -4.80 120.64 117.84 3kbu n GLU 1764Ca -0.00 -2.77 0.12 0.00 -0.42 0.00 0.00 57.16 54.09 3kbu n GLU 1764Cb 0.96 -1.63 0.30 0.00 -0.57 0.00 0.00 31.44 30.50 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 0.65 1.51 -0.27 0.62 0.00 -1.63 0.06 119.26 120.20 3kbu h ALA 1765Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kbu h ALA 1765Cb 1.17 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3kbu h ALA 1765CO 0.09 -0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.18 3kbu h ALA 1766N 1.65 0.26 -0.01 0.00 0.00 -1.87 0.12 119.26 119.42 3kbu h ALA 1766Ca 0.55 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 3kbu h ALA 1766Cb 0.93 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3kbu h ALA 1766CO -0.44 -0.39 0.00 1.15 0.00 0.00 0.00 179.25 179.58 3kbu h THR 1767N 0.12 1.23 -0.41 0.00 2.02 -1.44 -2.03 112.91 112.39 3kbu h THR 1767Ca 0.13 -0.68 0.08 0.00 0.77 0.00 0.00 66.41 66.71 3kbu h THR 1767Cb 0.15 1.67 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 3kbu h THR 1767CO -0.19 0.18 -0.04 0.40 0.37 0.00 0.00 175.52 176.24 3kbu h ILE 1768N -0.26 0.65 -0.72 3.11 2.04 -0.86 -0.33 117.51 121.14 3kbu h ILE 1768Ca 0.00 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.93 3kbu h ILE 1768Cb 0.29 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 3kbu h ILE 1768CO 0.00 0.01 0.38 0.00 0.00 0.00 0.00 178.15 178.54 3kbu h ALA 1769N 1.38 0.99 -0.18 1.87 0.00 -0.68 -0.94 119.26 121.70 3kbu h ALA 1769Ca 0.20 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3kbu h ALA 1769Cb 0.30 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3kbu h ALA 1769CO -0.37 0.00 -0.25 1.49 0.00 0.00 0.00 179.25 180.12 3kbu h GLU 1770N 0.65 -0.28 -0.80 0.00 4.81 -0.36 -0.60 114.58 118.01 3kbu h GLU 1770Ca 0.34 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.73 3kbu h GLU 1770Cb 0.32 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 3kbu h GLU 1770CO -0.24 -0.19 0.39 -1.49 -0.73 0.00 0.00 179.01 176.75 3kbu h TRP 1771N -0.29 0.68 -0.43 0.92 6.55 -0.20 -1.32 115.95 121.87 3kbu h TRP 1771Ca 0.12 0.03 -0.00 0.00 0.95 0.00 0.00 58.89 59.99 3kbu h TRP 1771Cb 0.47 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.56 3kbu h TRP 1771CO -0.37 0.16 0.26 -0.22 -1.05 0.00 0.00 178.44 177.22 3kbu h LYS 1772N 0.58 0.58 0.04 0.49 3.64 -0.11 -0.11 116.57 121.66 3kbu h LYS 1772Ca 0.43 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3kbu h LYS 1772Cb 0.59 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3kbu h LYS 1772CO -0.35 0.42 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.78 3kbu h ASP 1773N 0.56 -0.07 -0.64 4.20 3.32 -0.14 0.12 116.42 123.78 3kbu h ASP 1773Ca 0.15 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.26 3kbu h ASP 1773Cb -0.01 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3kbu h ASP 1773CO -0.03 -0.04 0.36 1.23 -1.72 0.00 0.00 179.24 179.04 3kbu h GLY 1774N -0.07 0.93 0.91 2.75 0.00 -1.02 -0.31 103.07 106.26 3kbu h GLY 1774Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3kbu h GLY 1774CO -0.00 0.17 -0.28 -2.00 0.00 0.00 0.00 176.54 174.43 3kbu h LEU 1775N 0.68 -0.67 -1.34 3.11 5.85 -0.64 -1.53 115.31 120.77 3kbu h LEU 1775Ca 0.28 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 59.11 3kbu h LEU 1775Cb 0.14 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3kbu h LEU 1775CO -0.16 -0.41 0.54 0.78 -0.34 0.00 0.00 178.44 178.85 3kbu h ASN 1776N -0.89 0.64 -0.22 1.25 2.35 -0.45 -1.73 115.58 116.52 3kbu h ASN 1776Ca -0.08 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3kbu h ASN 1776Cb 0.64 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3kbu h ASN 1776CO 0.13 0.35 -0.00 -0.33 -1.65 0.00 0.00 177.43 175.93 3kbu h GLU 1777N 0.69 0.39 -0.74 0.81 5.08 -0.97 -1.14 114.58 118.71 3kbu h GLU 1777Ca 0.40 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 3kbu h GLU 1777Cb 0.59 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 3kbu h GLU 1777CO -0.17 0.58 0.43 0.52 -1.00 0.00 0.00 179.01 179.37 3kbu h MET 1778N 0.16 0.75 0.65 2.33 2.86 -0.49 0.79 114.93 121.99 3kbu h MET 1778Ca 0.06 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3kbu h MET 1778Cb 0.40 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3kbu h MET 1778CO 0.01 0.50 -0.36 2.35 1.06 0.00 0.00 176.91 180.47 3kbu h TRP 1779N 0.77 -0.94 -0.88 -0.22 -0.00 -1.23 0.66 115.95 114.10 3kbu h TRP 1779Ca 0.33 -0.02 0.13 0.00 -0.00 0.00 0.00 58.89 59.33 3kbu h TRP 1779Cb 0.20 0.33 -0.09 0.00 -0.00 0.00 0.00 29.16 29.60 3kbu h TRP 1779CO -0.06 -0.56 0.50 0.00 -0.00 0.00 0.00 178.44 178.32 3kbu h ALA 1780N -0.63 1.32 -0.45 2.65 0.00 -0.68 0.94 119.26 122.41 3kbu h ALA 1780Ca -0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3kbu h ALA 1780Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3kbu h ALA 1780CO 0.11 0.04 0.21 -0.44 0.00 0.00 0.00 179.25 179.18 3kbu h ASP 1781N 0.77 0.60 -0.67 0.00 3.32 -0.62 -2.52 116.42 117.30 3kbu h ASP 1781Ca 0.46 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 3kbu h ASP 1781Cb 0.54 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3kbu h ASP 1781CO -0.30 0.57 0.37 0.25 -1.72 0.00 0.00 179.24 178.40 3kbu h LEU 1782N 0.59 0.83 -0.55 1.55 5.85 0.13 -0.45 115.31 123.26 3kbu h LEU 1782Ca 0.16 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3kbu h LEU 1782Cb 0.13 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 3kbu h LEU 1782CO -0.02 0.69 0.31 -0.07 -0.34 0.00 0.00 178.44 179.01 3kbu h LEU 1783N 0.91 0.47 -0.34 2.25 3.38 -0.68 -0.02 115.31 121.28 3kbu h LEU 1783Ca 0.24 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3kbu h LEU 1783Cb 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3kbu h LEU 1783CO -0.04 0.32 0.19 -0.08 0.09 0.00 0.00 178.44 178.92 3kbu h GLU 1784N 0.59 0.48 -0.98 1.13 4.81 -1.02 -0.08 114.58 119.51 3kbu h GLU 1784Ca 0.23 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 3kbu h GLU 1784Cb 0.10 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.31 3kbu h GLU 1784CO -0.14 0.40 0.63 -0.07 -0.73 0.00 0.00 179.01 179.10 3kbu h LEU 1785N 0.43 0.95 -0.31 1.64 3.38 -0.50 0.34 115.31 121.24 3kbu h LEU 1785Ca 0.12 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3kbu h LEU 1785Cb 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3kbu h LEU 1785CO -0.02 0.56 -0.24 0.40 0.09 0.00 0.00 178.44 179.23 3kbu h ILE 1786N 1.06 1.29 -0.40 1.22 2.04 -0.48 -2.50 117.51 119.74 3kbu h ILE 1786Ca 0.45 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 3kbu h ILE 1786Cb 0.33 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3kbu h ILE 1786CO -0.21 0.45 0.24 -0.78 0.00 0.00 0.00 178.15 177.86 3kbu h ASP 1787N 0.48 0.48 0.23 1.72 3.58 0.75 -1.94 116.42 121.73 3kbu h ASP 1787Ca 0.06 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 3kbu h ASP 1787Cb 0.80 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.72 3kbu h ASP 1787CO 0.06 0.40 -0.38 0.71 -2.88 0.00 0.00 179.24 177.15 3kbu h THR 1788N 0.53 1.29 -0.44 2.25 1.35 -0.35 -0.99 112.91 116.56 3kbu h THR 1788Ca 0.14 -1.42 -0.04 0.00 -0.55 0.00 0.00 66.41 64.55 3kbu h THR 1788Cb -0.00 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 3kbu h THR 1788CO -0.03 0.42 0.11 -0.09 -0.25 0.00 0.00 175.52 175.69 3kbu h ARG 1789N 0.17 0.64 0.06 4.72 9.65 -1.08 0.20 114.38 128.74 3kbu h ARG 1789Ca 0.02 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 3kbu h ARG 1789Cb 0.75 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3kbu h ARG 1789CO 0.06 0.58 -0.03 1.98 2.80 0.00 0.00 179.97 185.36 3kbu h MET 1790N 0.63 -0.07 -0.91 0.20 4.05 -0.43 -0.18 114.93 118.22 3kbu h MET 1790Ca 0.15 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.62 3kbu h MET 1790Cb 0.23 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.99 3kbu h MET 1790CO -0.00 0.12 0.58 1.96 0.23 0.00 0.00 176.91 179.80 3kbu h GLN 1791N -0.26 1.07 0.01 0.39 4.20 -1.02 0.19 115.11 119.69 3kbu h GLN 1791Ca -0.01 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.65 3kbu h GLN 1791Cb 0.23 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3kbu h GLN 1791CO 0.01 0.71 -0.09 1.25 -0.67 0.00 0.00 178.83 180.04 3kbu h LEU 1792N 1.10 -0.27 -0.98 1.46 5.85 -0.34 -2.10 115.31 120.04 3kbu h LEU 1792Ca 0.38 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 59.05 3kbu h LEU 1792Cb 0.08 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3kbu h LEU 1792CO -0.14 -0.14 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.53 3kbu h LEU 1793N -0.17 0.48 -0.94 2.25 3.38 -0.54 -2.12 115.31 117.66 3kbu h LEU 1793Ca 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3kbu h LEU 1793Cb 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kbu h LEU 1793CO -0.09 0.71 0.29 0.00 0.09 0.00 0.00 178.44 179.44 3kbu h ALA 1794N 1.34 1.16 0.31 1.53 0.00 -0.41 0.14 119.26 123.32 3kbu h ALA 1794Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3kbu h ALA 1794Cb 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kbu h ALA 1794CO 0.04 0.61 -0.15 0.00 0.00 0.00 0.00 179.25 179.75 3kbu h ALA 1795N 1.28 -0.41 -0.96 0.00 0.00 -1.00 -1.43 119.26 116.73 3kbu h ALA 1795Ca 0.24 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.17 3kbu h ALA 1795Cb 0.19 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 3kbu h ALA 1795CO -0.02 -0.68 0.57 1.03 0.00 0.00 0.00 179.25 180.15 3kbu h SER 1796N -0.52 0.79 -0.41 0.00 0.87 -1.15 0.79 113.55 113.93 3kbu h SER 1796Ca -0.04 0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3kbu h SER 1796Cb 0.39 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 3kbu h SER 1796CO 0.07 0.37 0.10 0.22 -0.53 0.00 0.00 176.83 177.06 3kbu h TYR 1797N 0.84 0.18 -0.67 2.24 3.20 -0.24 -1.44 116.97 121.08 3kbu h TYR 1797Ca 0.50 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.33 3kbu h TYR 1797Cb 0.62 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3kbu h TYR 1797CO -0.03 0.04 0.14 -0.44 -1.64 0.00 0.00 178.16 176.24 3kbu h ASP 1798N 0.24 1.04 0.27 -2.11 5.19 0.20 0.37 116.42 121.62 3kbu h ASP 1798Ca 0.19 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 3kbu h ASP 1798Cb 0.21 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3kbu h ASP 1798CO -0.23 1.02 -0.13 0.25 -3.12 0.00 0.00 179.24 177.02 3kbu h LEU 1799N 1.02 -0.31 -0.65 1.55 5.85 -1.10 0.18 115.31 121.85 3kbu h LEU 1799Ca 0.21 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3kbu h LEU 1799Cb 0.40 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3kbu h LEU 1799CO 0.01 -0.22 0.22 0.45 -0.34 0.00 0.00 178.44 178.56 3kbu h HIS 1800N -0.36 1.02 -0.92 1.25 3.86 -1.08 -2.19 115.15 116.72 3kbu h HIS 1800Ca -0.04 -0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.17 3kbu h HIS 1800Cb 0.28 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 28.39 3kbu h HIS 1800CO -0.06 0.82 0.59 -0.09 0.86 0.00 0.00 177.93 180.05 3kbu h ARG 1801N 0.92 0.92 0.36 2.45 2.43 0.04 0.12 114.38 121.62 3kbu h ARG 1801Ca 0.21 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3kbu h ARG 1801Cb 0.26 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3kbu h ARG 1801CO -0.01 0.61 -0.17 -0.92 -1.51 0.00 0.00 179.97 177.97 3kbu h TYR 1802N 0.95 -0.45 -0.34 2.20 3.20 -0.32 -0.41 116.97 121.80 3kbu h TYR 1802Ca 0.43 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.29 3kbu h TYR 1802Cb 0.37 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 3kbu h TYR 1802CO -0.00 -0.12 0.22 0.74 -1.64 0.00 0.00 178.16 177.36 3kbu h PHE 1803N -0.82 0.44 -0.44 -3.82 0.04 -1.13 0.04 116.94 111.24 3kbu h PHE 1803Ca -0.05 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 3kbu h PHE 1803Cb 0.53 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3kbu h PHE 1803CO 0.02 0.29 0.09 -0.92 -0.60 0.00 0.00 178.31 177.18 3kbu h TYR 1804N 0.47 0.77 -0.28 -0.55 3.20 -0.71 -2.85 116.97 117.01 3kbu h TYR 1804Ca 0.13 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3kbu h TYR 1804Cb -0.03 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3kbu h TYR 1804CO 0.00 0.72 0.07 1.15 -1.64 0.00 0.00 178.16 178.46 3kbu h THR 1805N 0.59 1.21 0.02 1.81 2.02 0.22 -2.51 112.91 116.26 3kbu h THR 1805Ca 0.14 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3kbu h THR 1805Cb 0.36 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3kbu h THR 1805CO 0.01 0.23 -0.27 1.23 0.37 0.00 0.00 175.52 177.09 3kbu h GLY 1806N 0.29 -0.42 0.72 2.16 0.00 -1.05 0.97 103.07 105.74 3kbu h GLY 1806Ca 0.09 0.32 0.07 0.00 0.00 0.00 0.00 47.33 47.81 3kbu h GLY 1806CO 0.00 -0.22 0.64 0.00 0.00 0.00 0.00 176.54 176.97 3kbu h ALA 1807N 0.38 1.39 0.04 3.60 0.00 -1.52 0.65 119.26 123.80 3kbu h ALA 1807Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3kbu h ALA 1807Cb 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kbu h ALA 1807CO -0.22 0.42 -0.02 1.49 0.00 0.00 0.00 179.25 180.92 3kbu h GLU 1808N 1.15 -0.05 -0.69 0.00 4.57 -0.89 -2.10 114.58 116.57 3kbu h GLU 1808Ca 0.43 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.67 3kbu h GLU 1808Cb 0.19 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 3kbu h GLU 1808CO -0.18 -0.01 0.41 0.82 -1.18 0.00 0.00 179.01 178.87 3kbu h ILE 1809N -0.09 1.02 -0.43 2.32 2.04 -0.13 -1.10 117.51 121.14 3kbu h ILE 1809Ca -0.01 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 3kbu h ILE 1809Cb 0.07 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 3kbu h ILE 1809CO 0.01 0.14 0.15 -0.07 0.00 0.00 0.00 178.15 178.38 3kbu h LEU 1810N 0.77 0.56 -0.24 1.44 3.38 -0.66 -0.47 115.31 120.09 3kbu h LEU 1810Ca 0.30 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3kbu h LEU 1810Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kbu h LEU 1810CO -0.15 0.53 -0.12 1.23 0.09 0.00 0.00 178.44 180.02 3kbu h GLY 1811N 0.79 0.55 1.06 0.83 0.00 -0.71 -1.68 103.07 103.91 3kbu h GLY 1811Ca 0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3kbu h GLY 1811CO -0.01 0.45 0.28 1.41 0.00 0.00 0.00 176.54 178.67 3kbu h LEU 1812N 0.22 1.10 -0.41 3.11 4.07 -0.64 -0.90 115.31 121.86 3kbu h LEU 1812Ca 0.05 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.79 3kbu h LEU 1812Cb 0.62 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 3kbu h LEU 1812CO 0.04 0.99 0.10 0.40 -1.08 0.00 0.00 178.44 178.88 3kbu h ILE 1813N 1.14 1.23 -0.28 1.22 2.04 -1.12 -2.18 117.51 119.56 3kbu h ILE 1813Ca 0.26 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 65.36 3kbu h ILE 1813Cb 0.25 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3kbu h ILE 1813CO -0.02 0.27 0.12 -0.78 0.00 0.00 0.00 178.15 177.75 3kbu h ASP 1814N 0.51 0.16 -0.94 1.72 3.58 -1.03 -1.79 116.42 118.64 3kbu h ASP 1814Ca 0.13 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.66 3kbu h ASP 1814Cb 0.31 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.29 3kbu h ASP 1814CO 0.00 0.13 0.61 -0.08 -2.88 0.00 0.00 179.24 177.02 3kbu h GLU 1815N 0.26 1.05 -0.46 0.28 4.81 -1.01 0.05 114.58 119.56 3kbu h GLU 1815Ca 0.12 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3kbu h GLU 1815Cb 0.07 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3kbu h GLU 1815CO -0.10 0.70 -0.22 0.87 -0.73 0.00 0.00 179.01 179.52 3kbu h LYS 1816N 1.08 0.97 0.41 1.92 1.79 -1.09 -2.40 116.57 119.25 3kbu h LYS 1816Ca 0.40 -0.42 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3kbu h LYS 1816Cb 0.18 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3kbu h LYS 1816CO -0.15 1.09 -0.20 1.25 -1.08 0.00 0.00 179.45 180.36 3kbu h HIS 1817N 0.81 -0.51 -0.02 -1.35 2.76 -0.66 -2.39 115.15 113.79 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 0.79 0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.92 3kbu h HIS 1817CO 0.05 -0.24 0.06 0.00 -1.30 0.00 0.00 177.93 176.50 3kbu h ARG 1818N -0.69 0.00 0.00 5.26 3.08 -1.09 -3.52 114.38 117.41 3kbu h ARG 1818Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3kbu h ARG 1818Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3kbu h ARG 1818CO 0.09 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.08 3kbu n GLU 1819N -3.33 0.52 0.00 0.04 2.13 -0.90 -5.08 120.64 114.01 3kbu n GLU 1819Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3kbu n GLU 1819Cb 0.13 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.84 3kbu n GLU 1819CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3kbu n PHE 1841N 0.00 0.00 -0.31 4.31 7.35 -1.26 -5.10 117.46 122.46 3kbu n PHE 1841Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 3kbu n PHE 1841Cb 0.00 0.00 0.14 0.00 0.35 0.00 0.00 39.48 39.97 3kbu n PHE 1841CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kbu h GLU 1842N 0.00 0.91 -0.70 -4.13 3.07 -2.05 -0.56 114.58 111.12 3kbu h GLU 1842Ca 0.00 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 3kbu h GLU 1842Cb 0.00 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 3kbu h GLU 1842CO 0.00 0.60 0.16 0.07 -1.40 0.00 0.00 179.01 178.45 3kbu h ARG 1843N 0.94 1.12 -0.43 2.33 0.11 -2.05 -1.50 114.38 114.89 3kbu h ARG 1843Ca 0.37 -0.27 -0.04 0.00 0.10 0.00 0.00 59.98 60.15 3kbu h ARG 1843Cb 0.19 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 3kbu h ARG 1843CO -0.18 0.99 0.13 -0.44 0.10 0.00 0.00 179.97 180.56 3kbu h ASP 1844N 1.06 0.64 -0.55 0.08 3.32 -1.75 -1.90 116.42 117.31 3kbu h ASP 1844Ca 0.22 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 3kbu h ASP 1844Cb 0.38 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3kbu h ASP 1844CO 0.00 0.68 0.04 0.58 -1.72 0.00 0.00 179.24 178.82 3kbu h VAL 1845N 0.56 1.26 -0.07 -1.35 2.07 -1.06 -2.23 116.25 115.42 3kbu h VAL 1845Ca 0.14 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 3kbu h VAL 1845Cb 0.28 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3kbu h VAL 1845CO -0.00 0.38 0.03 -0.74 0.02 0.00 0.00 177.57 177.26 3kbu h HIS 1846N 0.91 0.11 -0.85 1.57 -0.00 -1.12 -1.16 115.15 114.60 3kbu h HIS 1846Ca 0.17 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.62 3kbu h HIS 1846Cb 0.47 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.79 3kbu h HIS 1846CO 0.03 0.23 0.55 -0.07 -0.00 0.00 0.00 177.93 178.67 3kbu h LEU 1847N -0.05 0.77 -0.47 0.26 3.38 -1.30 -1.42 115.31 116.48 3kbu h LEU 1847Ca 0.02 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3kbu h LEU 1847Cb 0.16 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3kbu h LEU 1847CO -0.00 0.47 0.05 0.25 0.09 0.00 0.00 178.44 179.30 3kbu h LEU 1848N 0.86 0.78 -1.59 1.67 5.85 -1.16 -2.83 115.31 118.89 3kbu h LEU 1848Ca 0.39 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3kbu h LEU 1848Cb 0.36 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kbu h LEU 1848CO -0.15 0.86 -0.05 1.23 -0.34 0.00 0.00 178.44 179.99 3kbu h GLY 1849N 0.67 0.21 1.09 3.75 0.00 -0.23 -0.39 103.07 108.17 3kbu h GLY 1849Ca 0.14 -0.11 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 3kbu h GLY 1849CO 0.01 0.10 -0.35 -2.08 0.00 0.00 0.00 176.54 174.23 3kbu h VAL 1850N 0.20 1.28 -0.25 4.60 2.07 -1.18 -1.84 116.25 121.12 3kbu h VAL 1850Ca 0.05 -1.52 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 3kbu h VAL 1850Cb 0.22 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3kbu h VAL 1850CO 0.01 0.51 -0.16 1.56 0.02 0.00 0.00 177.57 179.50 3kbu h GLN 1851N 0.68 0.44 -0.03 1.57 4.20 -1.11 -0.45 115.11 120.41 3kbu h GLN 1851Ca 0.06 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3kbu h GLN 1851Cb 0.94 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 3kbu h GLN 1851CO 0.09 0.59 -0.02 0.28 -0.67 0.00 0.00 178.83 179.11 3kbu h VAL 1852N 0.40 1.33 -0.73 -0.54 2.07 -1.06 0.32 116.25 118.05 3kbu h VAL 1852Ca 0.07 -1.00 0.12 0.00 0.82 0.00 0.00 66.70 66.70 3kbu h VAL 1852Cb 0.52 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 3kbu h VAL 1852CO 0.03 0.27 0.32 -0.61 0.02 0.00 0.00 177.57 177.61 3kbu h GLN 1853N -0.32 0.50 -0.52 1.57 5.75 -1.02 0.15 115.11 121.22 3kbu h GLN 1853Ca 0.01 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3kbu h GLN 1853Cb 0.44 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 3kbu h GLN 1853CO 0.00 0.33 0.20 1.96 -2.65 0.00 0.00 178.83 178.68 3kbu h GLN 1854N 0.52 0.79 -0.31 1.69 4.20 -0.91 -2.42 115.11 118.67 3kbu h GLN 1854Ca 0.38 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 3kbu h GLN 1854Cb 0.49 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3kbu h GLN 1854CO -0.33 0.70 -0.11 0.35 -0.67 0.00 0.00 178.83 178.76 3kbu h PHE 1855N 0.70 0.57 -0.64 2.96 3.57 -0.26 -2.58 116.94 121.27 3kbu h PHE 1855Ca 0.17 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3kbu h PHE 1855Cb 0.21 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3kbu h PHE 1855CO 0.01 0.63 0.27 1.96 -2.23 0.00 0.00 178.31 178.95 3kbu h GLN 1856N 0.49 0.94 -0.68 1.11 4.20 -0.66 -1.54 115.11 118.97 3kbu h GLN 1856Ca 0.09 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3kbu h GLN 1856Cb 0.49 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3kbu h GLN 1856CO 0.03 0.78 0.27 -0.44 -0.67 0.00 0.00 178.83 178.80 3kbu h ASP 1857N 0.89 0.93 -0.23 1.46 3.32 -1.16 -1.77 116.42 119.86 3kbu h ASP 1857Ca 0.21 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3kbu h ASP 1857Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3kbu h ASP 1857CO -0.02 0.84 0.12 0.58 -1.72 0.00 0.00 179.24 179.04 3kbu h VAL 1858N 0.96 1.12 -0.94 -1.35 2.07 -1.29 -1.65 116.25 115.17 3kbu h VAL 1858Ca 0.23 -0.33 0.12 0.00 0.82 0.00 0.00 66.70 67.54 3kbu h VAL 1858Cb 0.20 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3kbu h VAL 1858CO -0.02 0.12 0.60 0.00 0.02 0.00 0.00 177.57 178.29 3kbu h ALA 1859N 1.00 1.65 0.13 1.67 0.00 -0.92 -0.40 119.26 122.39 3kbu h ALA 1859Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kbu h ALA 1859Cb 0.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kbu h ALA 1859CO -0.01 0.12 -0.06 1.15 0.00 0.00 0.00 179.25 180.44 3kbu h THR 1860N 0.87 1.01 -0.61 0.00 2.02 -0.92 -2.26 112.91 113.02 3kbu h THR 1860Ca 0.46 -0.64 0.10 0.00 0.77 0.00 0.00 66.41 67.10 3kbu h THR 1860Cb 0.54 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.28 3kbu h THR 1860CO -0.22 0.15 0.20 -0.09 0.37 0.00 0.00 175.52 175.93 3kbu h ARG 1861N -0.49 0.35 -0.52 6.66 2.43 -0.64 -2.56 114.38 119.61 3kbu h ARG 1861Ca -0.02 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 3kbu h ARG 1861Cb 0.39 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 3kbu h ARG 1861CO 0.03 0.23 0.08 -0.07 -1.51 0.00 0.00 179.97 178.73 3kbu h LEU 1862N 0.36 0.84 -1.09 3.80 3.38 -1.13 -2.88 115.31 118.60 3kbu h LEU 1862Ca 0.31 -0.27 0.18 0.00 0.09 0.00 0.00 57.88 58.20 3kbu h LEU 1862Cb 0.41 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 40.85 3kbu h LEU 1862CO -0.34 0.89 0.61 1.56 0.09 0.00 0.00 178.44 181.26 3kbu h GLN 1863N 0.75 0.73 -0.97 1.13 4.20 -0.99 0.20 115.11 120.17 3kbu h GLN 1863Ca 0.16 -0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.06 3kbu h GLN 1863Cb 0.42 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 27.96 3kbu h GLN 1863CO 0.01 0.48 0.64 1.15 -0.67 0.00 0.00 178.83 180.45 3kbu h THR 1864N 0.75 0.60 0.00 -0.54 2.02 -1.37 -2.71 112.91 111.66 3kbu h THR 1864Ca 0.55 -0.11 -0.17 0.00 0.77 0.00 0.00 66.41 67.44 3kbu h THR 1864Cb 0.87 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3kbu h THR 1864CO -0.33 0.06 -1.45 0.00 0.37 0.00 0.00 175.52 174.18 3kbu n ALA 1865N -2.54 1.93 -2.58 6.16 0.00 0.66 -4.95 120.51 119.20 3kbu n ALA 1865Ca 0.22 -0.56 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 3kbu n ALA 1865Cb 0.82 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 3kbu n ALA 1865CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3kbu s TYR 1866N -2.92 3.02 0.31 0.00 2.02 -0.96 -5.10 117.35 113.72 3kbu s TYR 1866Ca -0.03 -0.23 -0.04 0.00 -0.37 0.00 0.00 57.07 56.39 3kbu s TYR 1866Cb 0.09 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 3kbu s TYR 1866CO 0.81 0.21 0.43 0.00 -1.57 0.00 0.00 175.55 175.43 3kbu s ALA 1867N -2.23 0.62 0.00 3.71 0.00 -1.26 -4.71 121.76 117.89 3kbu s ALA 1867Ca 0.40 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3kbu s ALA 1867Cb -0.07 1.17 0.00 0.00 0.00 0.00 0.00 23.12 24.22 3kbu s ALA 1867CO 0.28 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.67 3kbu n GLY 1868N -0.49 2.52 0.11 0.00 0.00 -1.26 -3.23 105.19 102.84 3kbu n GLY 1868Ca 0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 0.26 -0.69 1.61 4.81 -1.99 -2.35 114.58 116.22 3kbu h GLU 1869Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3kbu h GLU 1869Cb 0.00 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3kbu h GLU 1869CO 0.00 0.17 0.37 0.87 -0.73 0.00 0.00 179.01 179.69 3kbu h LYS 1870N 0.27 0.96 -0.32 1.92 1.79 -1.98 -1.47 116.57 117.73 3kbu h LYS 1870Ca 0.08 -0.11 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 3kbu h LYS 1870Cb -0.01 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.44 3kbu h LYS 1870CO -0.04 0.72 0.21 0.00 -1.08 0.00 0.00 179.45 179.26 3kbu h ALA 1871N 1.19 1.82 -0.43 3.86 0.00 -1.43 -1.36 119.26 122.90 3kbu h ALA 1871Ca 0.24 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3kbu h ALA 1871Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kbu h ALA 1871CO -0.04 0.16 -0.28 0.93 0.00 0.00 0.00 179.25 180.02 3kbu h GLU 1872N 0.39 0.95 -0.64 0.00 5.08 -0.79 -2.11 114.58 117.46 3kbu h GLU 1872Ca 0.12 -0.44 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 3kbu h GLU 1872Cb 0.01 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3kbu h GLU 1872CO -0.03 1.11 0.19 0.00 -1.00 0.00 0.00 179.01 179.28 3kbu h ALA 1873N 0.82 0.84 0.46 3.43 0.00 -0.50 0.13 119.26 124.44 3kbu h ALA 1873Ca 0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3kbu h ALA 1873Cb 0.86 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kbu h ALA 1873CO 0.08 0.52 -0.22 0.82 0.00 0.00 0.00 179.25 180.45 3kbu h ILE 1874N 0.93 0.54 -0.43 0.00 2.04 -1.22 -0.80 117.51 118.57 3kbu h ILE 1874Ca 0.20 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.99 3kbu h ILE 1874Cb 0.31 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3kbu h ILE 1874CO -0.00 0.02 0.19 -0.61 0.00 0.00 0.00 178.15 177.75 3kbu h GLN 1875N -0.69 0.38 -0.82 2.37 4.15 -1.31 -2.22 115.11 116.97 3kbu h GLN 1875Ca -0.06 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.40 3kbu h GLN 1875Cb 0.51 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.05 3kbu h GLN 1875CO 0.10 0.25 0.50 -0.91 -1.93 0.00 0.00 178.83 176.84 3kbu h ASN 1876N 0.39 0.77 0.25 -0.69 2.35 -0.83 -0.72 115.58 117.10 3kbu h ASN 1876Ca 0.19 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 3kbu h ASN 1876Cb 0.13 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3kbu h ASN 1876CO -0.16 0.49 -0.38 0.50 -1.65 0.00 0.00 177.43 176.24 3kbu h LYS 1877N 0.90 0.18 0.02 0.81 1.63 -0.80 -0.65 116.57 118.67 3kbu h LYS 1877Ca 0.36 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 3kbu h LYS 1877Cb 0.19 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3kbu h LYS 1877CO -0.18 0.54 -0.01 1.49 -3.45 0.00 0.00 179.45 177.84 3kbu h GLU 1878N 0.16 -0.03 -0.78 1.90 4.22 -0.73 -1.31 114.58 118.01 3kbu h GLU 1878Ca 0.02 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.49 3kbu h GLU 1878Cb 0.74 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 3kbu h GLU 1878CO 0.06 0.20 0.49 1.96 -2.18 0.00 0.00 179.01 179.53 3kbu h GLN 1879N -0.25 0.92 -0.27 1.92 4.20 -1.03 -0.37 115.11 120.23 3kbu h GLN 1879Ca -0.00 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kbu h GLN 1879Cb 0.24 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3kbu h GLN 1879CO 0.00 0.61 0.16 1.49 -0.67 0.00 0.00 178.83 180.43 3kbu h GLU 1880N 0.95 0.36 -0.40 1.46 4.81 -1.03 -1.27 114.58 119.46 3kbu h GLU 1880Ca 0.32 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.51 3kbu h GLU 1880Cb 0.04 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3kbu h GLU 1880CO -0.12 0.28 0.24 0.28 -0.73 0.00 0.00 179.01 178.96 3kbu h VAL 1881N 0.34 1.13 -0.48 0.32 2.07 -0.56 -1.17 116.25 117.89 3kbu h VAL 1881Ca 0.10 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3kbu h VAL 1881Cb 0.01 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3kbu h VAL 1881CO -0.02 0.13 -0.04 0.28 0.02 0.00 0.00 177.57 177.95 3kbu h SER 1882N 0.53 0.81 -0.26 0.57 0.02 -1.01 -1.78 113.55 112.43 3kbu h SER 1882Ca 0.14 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3kbu h SER 1882Cb 0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3kbu h SER 1882CO -0.03 0.90 0.15 0.00 -1.14 0.00 0.00 176.83 176.72 3kbu h ALA 1883N 1.18 0.33 -0.71 3.77 0.00 -0.93 0.38 119.26 123.28 3kbu h ALA 1883Ca 0.14 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kbu h ALA 1883Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3kbu h ALA 1883CO 0.03 -0.16 0.30 0.00 0.00 0.00 0.00 179.25 179.42 3kbu h ALA 1884N 1.04 0.91 -0.57 0.00 0.00 -1.07 -2.29 119.26 117.30 3kbu h ALA 1884Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3kbu h ALA 1884Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kbu h ALA 1884CO -0.02 0.52 0.33 2.35 0.00 0.00 0.00 179.25 182.43 3kbu h TRP 1885N 1.00 0.76 0.07 0.00 2.91 -1.07 -2.32 115.95 117.30 3kbu h TRP 1885Ca 0.24 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 3kbu h TRP 1885Cb 0.18 -0.25 -0.00 0.00 -0.51 0.00 0.00 29.16 28.58 3kbu h TRP 1885CO 0.01 0.54 -0.04 1.96 -1.03 0.00 0.00 178.44 179.88 3kbu h GLN 1886N 0.77 -0.11 -0.91 2.65 1.08 -0.82 -1.54 115.11 116.23 3kbu h GLN 1886Ca 0.20 0.01 0.21 0.00 -1.45 0.00 0.00 58.65 57.62 3kbu h GLN 1886Cb 0.01 0.02 -0.12 0.00 -0.05 0.00 0.00 27.48 27.35 3kbu h GLN 1886CO -0.04 -0.07 0.45 0.00 -0.95 0.00 0.00 178.83 178.23 3kbu h ALA 1887N 0.81 1.48 -0.36 3.87 0.00 -1.24 0.17 119.26 124.01 3kbu h ALA 1887Ca -0.01 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kbu h ALA 1887Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3kbu h ALA 1887CO 0.01 -0.26 -0.08 1.25 0.00 0.00 0.00 179.25 180.17 3kbu h LEU 1888N 0.50 0.69 0.00 0.00 6.46 -1.09 -3.52 115.31 118.35 3kbu h LEU 1888Ca 0.56 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3kbu h LEU 1888Cb 1.00 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 3kbu h LEU 1888CO -0.47 0.89 0.00 0.18 -0.62 0.00 0.00 178.44 178.41