#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbt h ALA 1586N 0.00 0.35 -0.93 0.62 0.00 -2.01 -1.69 119.26 115.60 3kbt h ALA 1586Ca 0.00 -0.47 0.17 0.00 0.00 0.00 0.00 54.91 54.61 3kbt h ALA 1586Cb 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.63 3kbt h ALA 1586CO 0.00 0.49 0.52 -0.56 0.00 0.00 0.00 179.25 179.70 3kbt h GLN 1587N 0.41 0.66 -0.18 0.00 3.07 -2.05 0.86 115.11 117.88 3kbt h GLN 1587Ca 0.01 -0.04 -0.14 0.00 0.09 0.00 0.00 58.65 58.57 3kbt h GLN 1587Cb 1.05 -0.15 -0.01 0.00 0.08 0.00 0.00 27.48 28.46 3kbt h GLN 1587CO 0.10 0.44 -0.49 0.37 0.09 0.00 0.00 178.83 179.34 3kbt h GLN 1588N 0.68 0.47 -0.28 0.06 5.75 -1.99 -3.09 115.11 116.71 3kbt h GLN 1588Ca 0.53 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 3kbt h GLN 1588Cb 0.81 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 3kbt h GLN 1588CO -0.39 0.86 0.17 -0.92 -2.65 0.00 0.00 178.83 175.90 3kbt h TYR 1589N 0.37 0.36 -0.68 3.99 3.20 0.09 -2.44 116.97 121.87 3kbt h TYR 1589Ca 0.02 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3kbt h TYR 1589Cb 0.99 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 3kbt h TYR 1589CO 0.03 0.25 0.34 1.88 -1.64 0.00 0.00 178.16 179.02 3kbt h TYR 1590N 0.36 0.61 -0.20 -3.82 0.99 -1.20 0.08 116.97 113.80 3kbt h TYR 1590Ca 0.10 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 3kbt h TYR 1590Cb -0.01 -0.17 -0.01 0.00 1.00 0.00 0.00 36.73 37.54 3kbt h TYR 1590CO -0.05 0.23 0.12 -0.07 -0.00 0.00 0.00 178.16 178.39 3kbt h LEU 1591N 0.59 0.24 -0.74 3.88 3.38 -1.53 -0.06 115.31 121.06 3kbt h LEU 1591Ca 0.33 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.29 3kbt h LEU 1591Cb 0.32 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3kbt h LEU 1591CO -0.25 0.22 0.44 0.44 0.09 0.00 0.00 178.44 179.39 3kbt h ASP 1592N 0.23 0.70 -0.37 -0.43 3.32 -0.80 0.10 116.42 119.17 3kbt h ASP 1592Ca 0.07 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 3kbt h ASP 1592Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3kbt h ASP 1592CO -0.01 0.46 -0.13 0.00 -1.72 0.00 0.00 179.24 177.83 3kbt h ALA 1593N 1.35 0.51 -0.46 3.45 0.00 -0.81 -0.91 119.26 122.39 3kbt h ALA 1593Ca 0.32 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kbt h ALA 1593Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3kbt h ALA 1593CO -0.16 0.41 0.11 -0.44 0.00 0.00 0.00 179.25 179.17 3kbt h ASP 1594N 0.53 0.63 -0.31 0.00 3.32 -0.63 -0.39 116.42 119.57 3kbt h ASP 1594Ca 0.09 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 3kbt h ASP 1594Cb 0.66 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3kbt h ASP 1594CO 0.05 0.63 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.91 3kbt h GLU 1595N 0.67 0.70 -0.31 3.56 4.81 -0.46 -1.58 114.58 121.96 3kbt h GLU 1595Ca 0.15 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 3kbt h GLU 1595Cb 0.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3kbt h GLU 1595CO -0.00 0.94 0.09 0.00 -0.73 0.00 0.00 179.01 179.30 3kbt h ALA 1596N 0.75 0.41 -0.56 2.92 0.00 -1.03 -1.67 119.26 120.08 3kbt h ALA 1596Ca 0.06 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kbt h ALA 1596Cb 0.76 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3kbt h ALA 1596CO 0.06 0.06 0.23 0.93 0.00 0.00 0.00 179.25 180.52 3kbt h GLU 1597N 0.35 0.42 -0.47 0.00 4.39 -0.99 -0.65 114.58 117.63 3kbt h GLU 1597Ca 0.10 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.69 3kbt h GLU 1597Cb 0.26 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3kbt h GLU 1597CO -0.00 0.28 -0.07 0.00 -1.16 0.00 0.00 179.01 178.06 3kbt h ALA 1598N 1.36 1.00 -0.36 3.43 0.00 -1.19 -0.52 119.26 122.98 3kbt h ALA 1598Ca 0.27 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3kbt h ALA 1598Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3kbt h ALA 1598CO -0.25 0.60 0.02 2.35 0.00 0.00 0.00 179.25 181.97 3kbt h TRP 1599N 0.75 0.68 -0.48 0.00 7.01 -0.98 -0.91 115.95 122.02 3kbt h TRP 1599Ca 0.13 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 3kbt h TRP 1599Cb 0.55 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 3kbt h TRP 1599CO 0.03 0.71 0.25 0.82 -2.79 0.00 0.00 178.44 177.47 3kbt h ILE 1600N 0.45 1.17 -0.64 2.65 2.04 -0.80 -0.99 117.51 121.40 3kbt h ILE 1600Ca 0.10 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3kbt h ILE 1600Cb 0.43 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3kbt h ILE 1600CO 0.02 0.19 0.40 1.23 0.00 0.00 0.00 178.15 179.99 3kbt h GLY 1601N 0.63 0.92 0.94 5.37 0.00 -0.98 -0.26 103.07 109.69 3kbt h GLY 1601Ca 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 3kbt h GLY 1601CO -0.02 0.36 0.06 -2.09 0.00 0.00 0.00 176.54 174.85 3kbt h GLU 1602N 0.87 0.16 -0.74 4.80 4.57 -0.96 0.12 114.58 123.40 3kbt h GLU 1602Ca 0.23 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3kbt h GLU 1602Cb -0.06 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3kbt h GLU 1602CO -0.05 0.18 0.27 1.96 -1.18 0.00 0.00 179.01 180.19 3kbt h GLN 1603N 0.09 1.13 -0.02 1.92 1.08 -0.89 0.14 115.11 118.56 3kbt h GLN 1603Ca 0.04 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 3kbt h GLN 1603Cb 0.07 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3kbt h GLN 1603CO -0.01 0.93 -0.13 1.49 -0.95 0.00 0.00 178.83 180.17 3kbt h GLU 1604N 1.09 0.13 0.00 1.46 4.81 -0.80 -1.32 114.58 119.95 3kbt h GLU 1604Ca 0.25 -0.11 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 3kbt h GLU 1604Cb 0.25 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3kbt h GLU 1604CO -0.02 0.77 -1.24 -0.07 -0.73 0.00 0.00 179.01 177.73 3kbt h LEU 1605N -0.48 0.00 0.00 1.64 3.38 -1.01 -3.41 115.31 115.43 3kbt h LEU 1605Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3kbt h LEU 1605Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3kbt h LEU 1605CO 0.03 0.95 -1.19 -1.22 0.09 0.00 0.00 178.44 177.09 3kbt n TYR 1606N -3.21 0.00 -0.06 1.13 4.01 0.42 -4.85 117.16 114.59 3kbt n TYR 1606Ca -0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.59 3kbt n TYR 1606Cb 0.96 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 39.78 3kbt n TYR 1606CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3kbt h VAL 1607N 0.00 1.01 -4.20 -0.72 2.07 -1.26 -3.46 116.25 109.69 3kbt h VAL 1607Ca -0.08 -1.77 -0.51 0.00 0.82 0.00 0.00 66.70 65.16 3kbt h VAL 1607Cb 1.15 1.93 0.10 0.00 -1.52 0.00 0.00 31.29 32.94 3kbt h VAL 1607CO -0.00 0.34 0.38 -0.63 0.02 0.00 0.00 177.57 177.68 3kbt s ILE 1608N -1.95 3.32 0.16 4.57 1.01 -0.50 -5.04 121.20 122.76 3kbt s ILE 1608Ca -0.11 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.22 3kbt s ILE 1608Cb -0.01 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3kbt s ILE 1608CO 0.40 -0.38 -0.14 -0.55 0.00 0.00 0.00 174.94 174.27 3kbt s SER 1609N -2.60 2.25 0.00 3.58 0.15 -1.26 -4.83 113.70 110.99 3kbt s SER 1609Ca 0.67 -0.92 0.20 0.00 0.70 0.00 0.00 55.95 56.60 3kbt s SER 1609Cb -0.20 -0.09 0.25 0.00 -1.71 0.00 0.00 66.02 64.26 3kbt s SER 1609CO 0.41 -0.17 1.22 0.47 1.20 0.00 0.00 173.24 176.37 3kbt n ASP 1610N 0.09 2.92 -4.66 5.45 8.00 -1.26 -5.03 116.55 122.06 3kbt n ASP 1610Ca -0.12 -1.89 -0.40 0.00 0.71 0.00 0.00 54.79 53.09 3kbt n ASP 1610Cb 0.59 -0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.62 3kbt n ASP 1610CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3kbt n GLU 1611N 1.20 1.46 -3.83 -1.24 2.13 -1.26 -4.96 120.64 114.15 3kbt n GLU 1611Ca 0.14 0.53 -0.36 0.00 0.66 0.00 0.00 57.16 58.13 3kbt n GLU 1611Cb 0.53 -2.26 -0.13 0.00 0.27 0.00 0.00 31.44 29.85 3kbt n GLU 1611CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3kbt s ILE 1612N -1.31 3.61 0.22 6.31 1.01 -1.26 -5.08 121.20 124.70 3kbt s ILE 1612Ca 0.67 -0.77 -0.32 0.00 0.00 0.00 0.00 60.65 60.24 3kbt s ILE 1612Cb -0.49 -2.84 -0.14 0.00 0.01 0.00 0.00 42.46 39.01 3kbt s ILE 1612CO 0.54 0.14 1.40 -0.81 0.00 0.00 0.00 174.94 176.21 3kbt n PRO 1613N 4.80 1.95 0.07 2.79 -0.04 -1.26 -4.92 135.00 138.39 3kbt n PRO 1613Ca -0.15 0.70 -0.09 0.00 -0.04 0.00 0.00 63.50 63.91 3kbt n PRO 1613Cb 0.48 -2.35 -0.12 0.00 -0.04 0.00 0.00 33.50 31.47 3kbt n PRO 1613CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3kbt h LYS 1614N 4.33 0.05 -4.09 0.54 1.57 -1.98 -3.47 116.57 113.52 3kbt h LYS 1614Ca -0.45 -0.09 -0.19 0.00 -1.87 0.00 0.00 60.65 58.05 3kbt h LYS 1614Cb 1.28 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.52 3kbt h LYS 1614CO 0.77 1.04 -0.28 0.16 -0.57 0.00 0.00 179.45 180.56 3kbt s ASP 1615N -6.79 0.38 0.16 0.86 1.47 -1.26 -5.03 116.67 106.45 3kbt s ASP 1615Ca -0.00 -1.26 -0.22 0.00 1.18 0.00 0.00 52.55 52.25 3kbt s ASP 1615Cb 0.09 0.56 0.06 0.00 -0.34 0.00 0.00 42.92 43.29 3kbt s ASP 1615CO 0.83 -1.12 1.61 -0.08 0.68 0.00 0.00 175.17 177.10 3kbt h GLU 1616N 2.29 -0.23 -0.07 2.11 4.81 -1.90 0.96 114.58 122.55 3kbt h GLU 1616Ca -0.29 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3kbt h GLU 1616Cb 1.25 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.62 3kbt h GLU 1616CO 0.41 -0.15 -0.36 0.93 -0.73 0.00 0.00 179.01 179.11 3kbt h GLU 1617N -0.24 -0.45 -0.96 1.92 3.07 -1.98 0.12 114.58 116.06 3kbt h GLU 1617Ca 0.16 0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.17 3kbt h GLU 1617Cb 0.50 0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.43 3kbt h GLU 1617CO -0.48 -0.30 0.59 0.78 -1.40 0.00 0.00 179.01 178.20 3kbt h GLY 1618N -0.47 1.54 0.93 -3.84 0.00 -1.86 -1.08 103.07 98.30 3kbt h GLY 1618Ca 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3kbt h GLY 1618CO -0.33 0.16 0.14 0.00 0.00 0.00 0.00 176.54 176.51 3kbt h ALA 1619N 1.51 0.46 -0.22 3.60 0.00 0.15 -0.82 119.26 123.95 3kbt h ALA 1619Ca 0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3kbt h ALA 1619Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3kbt h ALA 1619CO -0.26 0.07 0.13 0.82 0.00 0.00 0.00 179.25 180.01 3kbt h ILE 1620N 0.43 1.08 0.39 0.00 2.04 0.38 0.28 117.51 122.11 3kbt h ILE 1620Ca 0.12 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3kbt h ILE 1620Cb 0.20 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3kbt h ILE 1620CO -0.01 0.08 -0.40 0.58 0.00 0.00 0.00 178.15 178.40 3kbt h VAL 1621N 0.27 0.18 -0.94 1.67 2.07 -1.23 0.84 116.25 119.12 3kbt h VAL 1621Ca 0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 3kbt h VAL 1621Cb 0.02 0.18 -0.07 0.00 -1.52 0.00 0.00 31.29 29.90 3kbt h VAL 1621CO -0.01 0.00 0.60 0.24 0.02 0.00 0.00 177.57 178.41 3kbt h MET 1622N -0.82 0.87 -0.03 1.57 2.86 -0.97 0.63 114.93 119.03 3kbt h MET 1622Ca -0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3kbt h MET 1622Cb 0.73 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 3kbt h MET 1622CO -0.07 0.58 -0.01 1.25 1.06 0.00 0.00 176.91 179.71 3kbt h LEU 1623N 0.90 0.06 -0.66 1.22 5.85 -0.62 0.23 115.31 122.28 3kbt h LEU 1623Ca 0.45 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3kbt h LEU 1623Cb 0.49 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3kbt h LEU 1623CO -0.21 0.42 0.38 0.50 -0.34 0.00 0.00 178.44 179.19 3kbt h LYS 1624N -0.30 0.69 -0.30 1.25 3.64 -0.37 0.84 116.57 122.01 3kbt h LYS 1624Ca 0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3kbt h LYS 1624Cb 0.40 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3kbt h LYS 1624CO 0.00 0.46 0.06 -0.09 -2.27 0.00 0.00 179.45 177.61 3kbt h ARG 1625N 0.71 0.50 -0.61 1.90 2.43 -0.74 -3.09 114.38 115.49 3kbt h ARG 1625Ca 0.29 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3kbt h ARG 1625Cb 0.14 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 3kbt h ARG 1625CO -0.16 0.58 0.35 1.25 -1.51 0.00 0.00 179.97 180.48 3kbt h HIS 1626N 0.33 0.65 -0.81 2.20 2.76 0.71 -2.51 115.15 118.48 3kbt h HIS 1626Ca 0.09 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.33 3kbt h HIS 1626Cb 0.31 -0.20 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 3kbt h HIS 1626CO 0.02 0.34 0.51 -0.07 -1.30 0.00 0.00 177.93 177.42 3kbt h LEU 1627N 0.67 0.82 -0.86 0.26 3.38 -0.85 0.20 115.31 118.93 3kbt h LEU 1627Ca 0.26 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3kbt h LEU 1627Cb 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3kbt h LEU 1627CO -0.14 0.55 0.46 0.03 0.09 0.00 0.00 178.44 179.43 3kbt h ARG 1628N 0.96 1.20 -0.63 1.13 3.08 -1.39 0.06 114.38 118.80 3kbt h ARG 1628Ca 0.34 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 3kbt h ARG 1628Cb 0.08 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3kbt h ARG 1628CO -0.14 0.89 0.13 1.96 -1.07 0.00 0.00 179.97 181.74 3kbt h GLN 1629N 1.20 1.02 -0.30 0.04 4.20 -0.87 -1.73 115.11 118.66 3kbt h GLN 1629Ca 0.30 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 3kbt h GLN 1629Cb 0.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3kbt h GLN 1629CO -0.05 0.94 -0.20 0.37 -0.67 0.00 0.00 178.83 179.22 3kbt h GLN 1630N 0.94 0.56 -0.61 1.46 4.15 0.01 -2.20 115.11 119.42 3kbt h GLN 1630Ca 0.19 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3kbt h GLN 1630Cb 0.39 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 3kbt h GLN 1630CO 0.01 0.73 0.39 0.00 -1.93 0.00 0.00 178.83 178.02 3kbt h ARG 1631N 0.50 0.81 -0.32 1.69 3.08 -0.45 -1.76 114.38 117.94 3kbt h ARG 1631Ca 0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3kbt h ARG 1631Cb 0.63 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3kbt h ARG 1631CO 0.04 0.55 0.12 0.00 -1.07 0.00 0.00 179.97 179.62 3kbt h ALA 1632N 1.59 0.42 -0.35 0.04 0.00 -0.75 -0.68 119.26 119.53 3kbt h ALA 1632Ca 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kbt h ALA 1632Cb -0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3kbt h ALA 1632CO -0.05 0.02 0.21 0.28 0.00 0.00 0.00 179.25 179.72 3kbt h VAL 1633N 0.37 1.12 -0.83 0.00 2.07 -0.98 -1.20 116.25 116.80 3kbt h VAL 1633Ca 0.11 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3kbt h VAL 1633Cb 0.19 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3kbt h VAL 1633CO -0.01 0.12 0.46 -0.33 0.02 0.00 0.00 177.57 177.83 3kbt h GLU 1634N 0.46 1.15 -0.27 1.57 5.08 -1.14 -2.40 114.58 119.02 3kbt h GLU 1634Ca 0.13 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3kbt h GLU 1634Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3kbt h GLU 1634CO -0.02 0.84 0.05 0.22 -1.00 0.00 0.00 179.01 179.09 3kbt h ASP 1635N 1.15 0.36 0.55 1.42 1.82 -0.81 -1.23 116.42 119.68 3kbt h ASP 1635Ca 0.29 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.86 3kbt h ASP 1635Cb 0.02 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 39.93 3kbt h ASP 1635CO -0.05 0.39 -0.15 0.22 -1.61 0.00 0.00 179.24 178.03 3kbt h TYR 1636N 0.39 0.00 -1.01 0.28 3.20 -0.70 -3.12 116.97 116.01 3kbt h TYR 1636Ca 0.09 0.00 0.30 0.00 3.14 0.00 0.00 58.73 62.27 3kbt h TYR 1636Cb 0.19 0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.32 3kbt h TYR 1636CO 0.01 0.15 0.58 0.78 -1.64 0.00 0.00 178.16 178.04 3kbt h GLY 1637N 1.26 2.02 0.12 1.82 0.00 -1.14 0.15 103.07 107.31 3kbt h GLY 1637Ca -0.00 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.15 3kbt h GLY 1637CO 0.02 -0.42 -0.15 3.21 0.00 0.00 0.00 176.54 179.19 3kbt h ARG 1638N 0.39 -0.08 -0.60 4.80 3.08 -1.72 -0.55 114.38 119.71 3kbt h ARG 1638Ca 0.71 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.88 3kbt h ARG 1638Cb 1.56 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.55 3kbt h ARG 1638CO -0.57 -0.05 0.14 -0.91 -1.07 0.00 0.00 179.97 177.51 3kbt h ASN 1639N -0.08 0.02 -0.25 7.04 2.35 -0.91 -1.67 115.58 122.09 3kbt h ASN 1639Ca 0.19 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3kbt h ASN 1639Cb 0.37 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3kbt h ASN 1639CO -0.43 0.02 -0.01 0.40 -1.65 0.00 0.00 177.43 175.75 3kbt h ILE 1640N 0.27 1.26 -0.28 2.81 1.08 -1.12 -2.22 117.51 119.31 3kbt h ILE 1640Ca 0.31 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.84 3kbt h ILE 1640Cb 0.46 1.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 3kbt h ILE 1640CO -0.39 0.30 0.18 0.11 -0.69 0.00 0.00 178.15 177.66 3kbt h LYS 1641N 0.22 0.36 -0.95 2.37 1.57 -0.93 -0.91 116.57 118.29 3kbt h LYS 1641Ca 0.07 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3kbt h LYS 1641Cb 0.44 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 3kbt h LYS 1641CO 0.02 0.24 0.60 0.37 -0.57 0.00 0.00 179.45 180.11 3kbt h GLN 1642N 0.37 1.05 -0.38 3.15 4.15 -1.28 -0.07 115.11 122.10 3kbt h GLN 1642Ca 0.10 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 3kbt h GLN 1642Cb -0.04 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 3kbt h GLN 1642CO -0.02 0.69 0.02 -0.07 -1.93 0.00 0.00 178.83 177.52 3kbt h LEU 1643N 1.08 0.64 -0.43 -2.39 3.38 -0.79 -1.82 115.31 114.98 3kbt h LEU 1643Ca 0.42 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3kbt h LEU 1643Cb 0.22 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3kbt h LEU 1643CO -0.19 0.78 0.16 0.00 0.09 0.00 0.00 178.44 179.27 3kbt h ALA 1644N 0.89 0.51 -0.89 1.53 0.00 -0.49 0.81 119.26 121.61 3kbt h ALA 1644Ca 0.11 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.22 3kbt h ALA 1644Cb 0.43 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 3kbt h ALA 1644CO 0.02 -0.23 0.49 1.03 0.00 0.00 0.00 179.25 180.55 3kbt h SER 1645N 0.33 0.62 -0.21 0.00 0.87 -0.79 0.47 113.55 114.84 3kbt h SER 1645Ca 0.20 0.09 -0.20 0.00 -1.23 0.00 0.00 61.79 60.64 3kbt h SER 1645Cb 0.18 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3kbt h SER 1645CO -0.20 0.27 -0.65 0.03 -0.53 0.00 0.00 176.83 175.75 3kbt h ARG 1646N 0.70 0.81 -0.69 2.24 3.08 -0.44 -1.32 114.38 118.76 3kbt h ARG 1646Ca 0.48 -0.59 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3kbt h ARG 1646Cb 0.66 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 3kbt h ARG 1646CO -0.35 1.21 0.26 0.00 -1.07 0.00 0.00 179.97 180.02 3kbt h ALA 1647N 0.60 1.15 -0.45 0.04 0.00 0.32 -0.35 119.26 120.56 3kbt h ALA 1647Ca -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3kbt h ALA 1647Cb 1.27 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3kbt h ALA 1647CO 0.14 0.60 -0.09 0.37 0.00 0.00 0.00 179.25 180.27 3kbt h GLN 1648N 1.01 0.85 -0.48 0.00 5.75 -0.05 -0.20 115.11 121.99 3kbt h GLN 1648Ca 0.23 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 3kbt h GLN 1648Cb 0.22 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3kbt h GLN 1648CO -0.02 0.95 0.23 0.78 -2.65 0.00 0.00 178.83 178.12 3kbt h GLY 1649N 0.69 0.75 1.54 2.39 0.00 -0.98 0.12 103.07 107.58 3kbt h GLY 1649Ca 0.12 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3kbt h GLY 1649CO 0.04 0.36 -0.27 1.41 0.00 0.00 0.00 176.54 178.08 3kbt h LEU 1650N 0.64 0.53 0.35 3.11 3.38 -1.03 -1.88 115.31 120.41 3kbt h LEU 1650Ca 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3kbt h LEU 1650Cb 0.13 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kbt h LEU 1650CO -0.02 0.79 -0.17 0.25 0.09 0.00 0.00 178.44 179.38 3kbt h LEU 1651N 0.46 -0.40 -2.51 1.67 5.85 -0.86 -2.69 115.31 116.82 3kbt h LEU 1651Ca 0.06 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kbt h LEU 1651Cb 0.71 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 3kbt h LEU 1651CO 0.05 0.04 0.07 0.77 -0.34 0.00 0.00 178.44 179.03 3kbt h SER 1652N -0.96 0.00 0.31 1.25 4.64 -0.97 0.95 113.55 118.76 3kbt h SER 1652Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3kbt h SER 1652Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3kbt h SER 1652CO 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3kbt n ALA 1653N -2.24 2.26 -2.99 5.18 0.00 -0.71 -4.93 120.51 117.07 3kbt n ALA 1653Ca -0.02 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 3kbt n ALA 1653Cb 0.15 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.28 3kbt n ALA 1653CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbt n GLY 1654N 0.64 -0.14 3.77 0.00 0.00 0.33 -5.01 105.19 104.78 3kbt n GLY 1654Ca 0.13 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3kbt n GLY 1654CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kbt s HIS 1655N -3.25 2.94 0.33 1.61 5.04 -1.02 -4.94 115.29 116.00 3kbt s HIS 1655Ca 0.01 1.54 0.08 0.00 -1.54 0.00 0.00 55.06 55.16 3kbt s HIS 1655Cb -0.00 -3.38 0.80 0.00 0.04 0.00 0.00 32.58 30.04 3kbt s HIS 1655CO 0.51 -1.43 1.81 -1.35 -2.34 0.00 0.00 174.74 171.94 3kbt h PRO 1656N 2.22 0.69 -0.63 2.88 0.11 -1.95 -2.31 132.00 133.01 3kbt h PRO 1656Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kbt h PRO 1656Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kbt h PRO 1656CO 0.61 0.45 0.00 0.39 -0.21 0.00 0.00 178.00 179.24 3kbt n GLU 1657N -4.67 4.26 -0.35 1.05 4.71 -1.26 -4.71 120.64 119.66 3kbt n GLU 1657Ca 0.22 -3.03 0.25 0.00 -0.01 0.00 0.00 57.16 54.59 3kbt n GLU 1657Cb 0.57 -2.06 0.51 0.00 -1.01 0.00 0.00 31.44 29.45 3kbt n GLU 1657CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3kbt h GLY 1658N 4.12 1.41 0.86 0.62 0.00 -1.71 0.07 103.07 108.45 3kbt h GLY 1658Ca 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3kbt h GLY 1658CO 0.35 -0.24 -0.25 0.83 0.00 0.00 0.00 176.54 177.23 3kbt h GLU 1659N 0.36 0.54 -0.22 4.80 4.39 -1.85 -1.90 114.58 120.69 3kbt h GLU 1659Ca 0.66 -0.30 0.02 0.00 0.34 0.00 0.00 59.36 60.08 3kbt h GLU 1659Cb 1.68 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 3kbt h GLU 1659CO -0.38 0.89 0.09 1.96 -1.16 0.00 0.00 179.01 180.42 3kbt h GLN 1660N 0.22 0.20 -0.40 2.33 4.20 -1.56 -2.56 115.11 117.53 3kbt h GLN 1660Ca 0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3kbt h GLN 1660Cb 0.81 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 3kbt h GLN 1660CO 0.06 0.13 0.22 0.82 -0.67 0.00 0.00 178.83 179.39 3kbt h ILE 1661N 0.21 1.15 0.00 2.54 2.04 -1.05 -2.27 117.51 120.13 3kbt h ILE 1661Ca 0.09 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3kbt h ILE 1661Cb 0.04 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3kbt h ILE 1661CO -0.08 0.15 -0.29 -0.29 0.00 0.00 0.00 178.15 177.65 3kbt h ILE 1662N 0.52 1.12 0.11 -0.67 6.09 -1.32 -2.39 117.51 120.97 3kbt h ILE 1662Ca 0.14 -1.01 -0.01 0.00 -1.37 0.00 0.00 64.86 62.61 3kbt h ILE 1662Cb 0.05 1.56 0.00 0.00 0.47 0.00 0.00 36.82 38.90 3kbt h ILE 1662CO -0.02 0.28 -0.05 0.03 -3.07 0.00 0.00 178.15 175.32 3kbt h ARG 1663N 0.00 -0.14 -0.90 2.19 3.08 -1.25 -2.17 114.38 115.19 3kbt h ARG 1663Ca -0.00 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.20 3kbt h ARG 1663Cb 0.54 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.53 3kbt h ARG 1663CO 0.04 0.22 0.51 -0.07 -1.07 0.00 0.00 179.97 179.59 3kbt h LEU 1664N -0.53 0.67 -0.84 3.04 3.38 -1.18 0.87 115.31 120.72 3kbt h LEU 1664Ca -0.02 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kbt h LEU 1664Cb 0.43 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3kbt h LEU 1664CO 0.03 0.30 0.38 -0.61 0.09 0.00 0.00 178.44 178.63 3kbt h GLN 1665N 0.74 1.22 -0.50 1.13 5.75 -1.43 0.14 115.11 122.16 3kbt h GLN 1665Ca 0.48 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.77 3kbt h GLN 1665Cb 0.62 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3kbt h GLN 1665CO -0.33 0.95 0.24 0.78 -2.65 0.00 0.00 178.83 177.81 3kbt h GLY 1666N 1.20 0.77 1.01 2.39 0.00 -0.24 0.13 103.07 108.33 3kbt h GLY 1666Ca 0.29 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kbt h GLY 1666CO -0.03 0.37 0.46 1.46 0.00 0.00 0.00 176.54 178.79 3kbt h GLN 1667N 0.66 0.99 0.15 4.80 4.20 -0.46 -0.26 115.11 125.18 3kbt h GLN 1667Ca 0.17 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3kbt h GLN 1667Cb 0.12 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3kbt h GLN 1667CO -0.02 0.68 -0.07 0.28 -0.67 0.00 0.00 178.83 179.03 3kbt h VAL 1668N 1.00 0.96 -0.69 -0.54 2.07 -0.35 -0.89 116.25 117.81 3kbt h VAL 1668Ca 0.27 -0.52 0.14 0.00 0.82 0.00 0.00 66.70 67.41 3kbt h VAL 1668Cb -0.06 1.28 -0.10 0.00 -1.52 0.00 0.00 31.29 30.89 3kbt h VAL 1668CO -0.05 0.12 0.18 0.44 0.02 0.00 0.00 177.57 178.28 3kbt h ASP 1669N -0.45 0.05 0.30 0.57 3.45 -0.66 0.16 116.42 119.84 3kbt h ASP 1669Ca -0.02 0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 3kbt h ASP 1669Cb 0.36 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 3kbt h ASP 1669CO 0.03 -0.00 -0.14 0.50 -1.57 0.00 0.00 179.24 178.06 3kbt h LYS 1670N 0.29 -0.39 -0.75 3.56 3.64 -0.93 -1.16 116.57 120.84 3kbt h LYS 1670Ca 0.38 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 3kbt h LYS 1670Cb 0.61 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3kbt h LYS 1670CO -0.46 -0.20 0.49 0.45 -2.27 0.00 0.00 179.45 177.47 3kbt h HIS 1671N -0.49 0.94 -0.56 1.91 3.86 -0.11 0.23 115.15 120.93 3kbt h HIS 1671Ca -0.04 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 3kbt h HIS 1671Cb 0.37 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3kbt h HIS 1671CO -0.03 0.59 0.13 -0.92 0.86 0.00 0.00 177.93 178.56 3kbt h TYR 1672N 1.01 0.95 -0.73 2.45 3.20 -0.64 -2.13 116.97 121.09 3kbt h TYR 1672Ca 0.27 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3kbt h TYR 1672Cb -0.12 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.86 3kbt h TYR 1672CO 0.00 0.82 0.22 0.00 -1.64 0.00 0.00 178.16 177.56 3kbt h ALA 1673N 1.02 0.95 -0.98 1.82 0.00 0.15 -1.35 119.26 120.86 3kbt h ALA 1673Ca 0.17 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3kbt h ALA 1673Cb 0.36 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3kbt h ALA 1673CO 0.00 0.64 0.64 0.78 0.00 0.00 0.00 179.25 181.32 3kbt h GLY 1674N 1.08 1.44 1.47 0.00 0.00 -0.79 -2.25 103.07 104.02 3kbt h GLY 1674Ca 0.23 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 3kbt h GLY 1674CO -0.01 0.40 -0.45 -2.00 0.00 0.00 0.00 176.54 174.48 3kbt h LEU 1675N 1.22 0.62 -0.94 3.11 5.85 -0.65 -2.20 115.31 122.33 3kbt h LEU 1675Ca 0.40 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3kbt h LEU 1675Cb 0.05 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3kbt h LEU 1675CO -0.13 0.98 -0.09 0.11 -0.34 0.00 0.00 178.44 178.97 3kbt h LYS 1676N 0.46 0.67 -0.08 1.25 1.57 -0.96 -1.07 116.57 118.41 3kbt h LYS 1676Ca 0.03 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3kbt h LYS 1676Cb 0.97 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 3kbt h LYS 1676CO 0.09 0.76 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.27 3kbt h ASP 1677N 0.62 0.16 -0.94 0.86 3.32 -1.29 -0.96 116.42 118.19 3kbt h ASP 1677Ca 0.11 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3kbt h ASP 1677Cb 0.53 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.99 3kbt h ASP 1677CO 0.03 0.49 0.57 0.58 -1.72 0.00 0.00 179.24 179.19 3kbt h VAL 1678N -0.17 1.25 -0.30 -1.35 2.07 -1.31 0.33 116.25 116.77 3kbt h VAL 1678Ca 0.02 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3kbt h VAL 1678Cb 0.41 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3kbt h VAL 1678CO 0.01 0.26 0.01 0.00 0.02 0.00 0.00 177.57 177.88 3kbt h ALA 1679N 1.34 0.41 -0.72 1.67 0.00 -0.98 -1.79 119.26 119.18 3kbt h ALA 1679Ca 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kbt h ALA 1679Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3kbt h ALA 1679CO -0.06 0.14 0.40 1.49 0.00 0.00 0.00 179.25 181.21 3kbt h GLU 1680N 0.33 0.99 -0.06 0.00 4.57 -0.41 -0.45 114.58 119.56 3kbt h GLU 1680Ca 0.09 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 3kbt h GLU 1680Cb 0.41 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3kbt h GLU 1680CO 0.01 0.74 -0.07 1.49 -1.18 0.00 0.00 179.01 180.00 3kbt h GLU 1681N 0.98 -0.09 -0.48 1.92 4.57 -0.29 0.67 114.58 121.86 3kbt h GLU 1681Ca 0.25 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.49 3kbt h GLU 1681Cb 0.03 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3kbt h GLU 1681CO -0.04 -0.06 0.19 -0.09 -1.18 0.00 0.00 179.01 177.83 3kbt h ARG 1682N -0.10 0.38 -0.40 1.92 9.65 -0.90 0.20 114.38 125.13 3kbt h ARG 1682Ca 0.05 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 3kbt h ARG 1682Cb 0.16 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 3kbt h ARG 1682CO -0.11 0.25 0.19 -0.22 2.80 0.00 0.00 179.97 182.88 3kbt h LYS 1683N 0.39 0.38 -0.31 0.20 3.64 -0.66 -0.25 116.57 119.96 3kbt h LYS 1683Ca 0.22 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 3kbt h LYS 1683Cb 0.20 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3kbt h LYS 1683CO -0.20 0.25 0.12 -0.09 -2.27 0.00 0.00 179.45 177.26 3kbt h ARG 1684N 0.39 0.25 0.01 1.90 2.43 0.30 -1.29 114.38 118.37 3kbt h ARG 1684Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3kbt h ARG 1684Cb 0.09 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3kbt h ARG 1684CO -0.13 0.17 -0.03 0.87 -1.51 0.00 0.00 179.97 179.33 3kbt h LYS 1685N 0.26 -0.07 -0.30 0.20 1.57 0.10 -1.68 116.57 116.66 3kbt h LYS 1685Ca 0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kbt h LYS 1685Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kbt h LYS 1685CO -0.13 -0.04 0.18 -0.07 -0.57 0.00 0.00 179.45 178.82 3kbt h LEU 1686N -0.07 0.35 -0.56 2.94 3.38 -0.91 -0.53 115.31 119.92 3kbt h LEU 1686Ca 0.01 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3kbt h LEU 1686Cb 0.08 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3kbt h LEU 1686CO -0.03 0.29 0.17 -0.33 0.09 0.00 0.00 178.44 178.63 3kbt h GLU 1687N 0.39 0.32 -0.09 1.13 5.08 -1.20 0.12 114.58 120.33 3kbt h GLU 1687Ca 0.11 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3kbt h GLU 1687Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kbt h GLU 1687CO -0.02 0.21 -0.00 -0.91 -1.00 0.00 0.00 179.01 177.29 3kbt h ASN 1688N 0.33 -0.04 -0.18 1.42 -0.26 -0.37 -1.19 115.58 115.29 3kbt h ASN 1688Ca 0.28 0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.97 3kbt h ASN 1688Cb 0.36 0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 3kbt h ASN 1688CO -0.32 -0.00 -0.09 0.24 -1.06 0.00 0.00 177.43 176.19 3kbt h MET 1689N 0.03 0.54 0.67 0.81 2.86 -0.85 -1.91 114.93 117.08 3kbt h MET 1689Ca 0.04 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3kbt h MET 1689Cb 0.05 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.65 3kbt h MET 1689CO -0.07 0.63 -0.32 -0.92 1.06 0.00 0.00 176.91 177.29 3kbt h TYR 1690N 0.50 -0.84 -0.96 -0.22 3.20 -0.33 -2.52 116.97 115.80 3kbt h TYR 1690Ca 0.10 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.10 3kbt h TYR 1690Cb 0.47 0.28 -0.10 0.00 1.54 0.00 0.00 36.73 38.92 3kbt h TYR 1690CO 0.02 -0.49 0.57 0.45 -1.64 0.00 0.00 178.16 177.06 3kbt h HIS 1691N -1.14 1.01 -0.52 -3.82 3.86 -1.17 0.16 115.15 113.53 3kbt h HIS 1691Ca -0.09 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3kbt h HIS 1691Cb 0.73 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 3kbt h HIS 1691CO 0.00 0.29 0.09 1.25 0.86 0.00 0.00 177.93 180.41 3kbt h LEU 1692N 0.79 0.76 -0.95 2.43 5.85 -1.31 -1.28 115.31 121.60 3kbt h LEU 1692Ca 0.52 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 59.05 3kbt h LEU 1692Cb 0.70 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3kbt h LEU 1692CO -0.34 0.78 0.26 -0.26 -0.34 0.00 0.00 178.44 178.53 3kbt h PHE 1693N 0.78 1.04 0.21 1.25 0.04 -0.52 0.53 116.94 120.27 3kbt h PHE 1693Ca 0.17 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3kbt h PHE 1693Cb 0.34 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3kbt h PHE 1693CO 0.02 0.80 -0.10 0.37 -0.60 0.00 0.00 178.31 178.80 3kbt h GLN 1694N 1.00 -0.27 -0.25 1.51 4.15 -1.15 -1.84 115.11 118.26 3kbt h GLN 1694Ca 0.23 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.70 3kbt h GLN 1694Cb 0.22 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3kbt h GLN 1694CO -0.02 0.04 0.07 1.25 -1.93 0.00 0.00 178.83 178.24 3kbt h LEU 1695N -0.59 0.05 -1.08 -2.39 5.85 -1.14 0.21 115.31 116.22 3kbt h LEU 1695Ca -0.03 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3kbt h LEU 1695Cb 0.43 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3kbt h LEU 1695CO 0.05 0.06 0.62 0.50 -0.34 0.00 0.00 178.44 179.33 3kbt h LYS 1696N 0.17 1.08 -0.31 1.25 3.64 -0.86 0.24 116.57 121.78 3kbt h LYS 1696Ca 0.11 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 3kbt h LYS 1696Cb 0.10 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3kbt h LYS 1696CO -0.13 0.71 -0.15 -0.09 -2.27 0.00 0.00 179.45 177.52 3kbt h ARG 1697N 1.11 0.65 -0.07 1.90 2.43 -0.76 -1.34 114.38 118.30 3kbt h ARG 1697Ca 0.41 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 3kbt h ARG 1697Cb 0.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3kbt h ARG 1697CO -0.15 0.87 -0.52 0.93 -1.51 0.00 0.00 179.97 179.59 3kbt h GLU 1698N 0.41 0.19 -0.09 0.20 5.08 -0.29 -2.07 114.58 117.99 3kbt h GLU 1698Ca 0.07 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 3kbt h GLU 1698Cb 0.68 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3kbt h GLU 1698CO 0.05 0.66 -0.14 1.15 -1.00 0.00 0.00 179.01 179.72 3kbt h THR 1699N 0.15 1.39 -0.44 1.13 2.02 -0.53 -2.80 112.91 113.83 3kbt h THR 1699Ca 0.00 -1.39 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3kbt h THR 1699Cb 0.97 2.08 -0.04 0.00 -1.74 0.00 0.00 68.15 69.41 3kbt h THR 1699CO 0.08 0.39 0.19 0.44 0.37 0.00 0.00 175.52 176.99 3kbt h ASP 1700N -0.18 0.25 -0.83 4.18 3.32 -1.15 0.21 116.42 122.21 3kbt h ASP 1700Ca 0.01 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3kbt h ASP 1700Cb 0.70 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 3kbt h ASP 1700CO 0.03 0.18 0.50 0.44 -1.72 0.00 0.00 179.24 178.67 3kbt h ASP 1701N 0.39 1.01 -0.27 6.45 3.32 -1.43 -1.25 116.42 124.63 3kbt h ASP 1701Ca 0.20 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3kbt h ASP 1701Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3kbt h ASP 1701CO -0.17 0.79 0.02 0.25 -1.72 0.00 0.00 179.24 178.40 3kbt h LEU 1702N 1.15 0.45 -1.12 1.55 5.85 -1.13 -1.55 115.31 120.51 3kbt h LEU 1702Ca 0.30 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kbt h LEU 1702Cb -0.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3kbt h LEU 1702CO -0.05 0.63 0.29 -0.33 -0.34 0.00 0.00 178.44 178.63 3kbt h GLU 1703N 0.26 0.91 -0.42 1.25 5.08 -0.22 -0.66 114.58 120.78 3kbt h GLU 1703Ca 0.08 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3kbt h GLU 1703Cb 0.39 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3kbt h GLU 1703CO 0.01 0.72 0.04 0.37 -1.00 0.00 0.00 179.01 179.15 3kbt h GLN 1704N 0.90 0.72 -0.76 2.33 4.15 -1.21 0.32 115.11 121.57 3kbt h GLN 1704Ca 0.22 -0.21 0.01 0.00 0.77 0.00 0.00 58.65 59.44 3kbt h GLN 1704Cb 0.12 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 3kbt h GLN 1704CO -0.03 0.77 0.50 2.35 -1.93 0.00 0.00 178.83 180.50 3kbt h TRP 1705N 0.56 0.95 0.29 3.99 7.01 -0.86 -0.74 115.95 127.16 3kbt h TRP 1705Ca 0.12 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 3kbt h TRP 1705Cb 0.42 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 3kbt h TRP 1705CO 0.03 0.59 -0.14 0.82 -2.79 0.00 0.00 178.44 176.95 3kbt h ILE 1706N 1.02 0.74 -0.98 2.65 2.04 -0.85 -1.29 117.51 120.83 3kbt h ILE 1706Ca 0.28 -0.26 0.31 0.00 1.00 0.00 0.00 64.86 66.19 3kbt h ILE 1706Cb -0.10 0.89 -0.15 0.00 -0.74 0.00 0.00 36.82 36.71 3kbt h ILE 1706CO -0.07 0.06 0.50 0.28 0.00 0.00 0.00 178.15 178.92 3kbt h SER 1707N -0.53 0.40 -0.22 1.72 0.02 -0.50 -0.65 113.55 113.79 3kbt h SER 1707Ca -0.04 0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 61.02 3kbt h SER 1707Cb 0.40 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3kbt h SER 1707CO 0.07 -0.15 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.08 3kbt h GLU 1708N 0.29 0.52 -0.82 3.45 5.08 -0.78 -3.02 114.58 119.30 3kbt h GLU 1708Ca 0.70 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 3kbt h GLU 1708Cb 1.58 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.79 3kbt h GLU 1708CO -0.63 0.84 0.54 0.87 -1.00 0.00 0.00 179.01 179.64 3kbt h LYS 1709N 0.22 1.04 -0.91 2.33 1.79 -0.05 -2.72 116.57 118.26 3kbt h LYS 1709Ca 0.04 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.47 3kbt h LYS 1709Cb 0.73 -0.23 -0.05 0.00 -1.58 0.00 0.00 32.23 31.10 3kbt h LYS 1709CO 0.05 0.69 0.60 0.93 -1.08 0.00 0.00 179.45 180.64 3kbt h GLU 1710N 1.07 1.14 -0.46 3.15 5.08 -1.09 -1.89 114.58 121.58 3kbt h GLU 1710Ca 0.31 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3kbt h GLU 1710Cb -0.06 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 3kbt h GLU 1710CO -0.08 0.76 0.25 -0.07 -1.00 0.00 0.00 179.01 178.86 3kbt h LEU 1711N 1.18 0.58 -0.96 1.33 3.38 -1.36 -0.91 115.31 118.55 3kbt h LEU 1711Ca 0.35 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3kbt h LEU 1711Cb -0.04 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 3kbt h LEU 1711CO -0.10 0.51 0.59 0.58 0.09 0.00 0.00 178.44 180.12 3kbt h VAL 1712N 0.61 1.26 0.00 1.22 2.07 -1.39 -1.63 116.25 118.39 3kbt h VAL 1712Ca 0.16 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3kbt h VAL 1712Cb 0.07 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3kbt h VAL 1712CO -0.02 0.27 -0.10 0.00 0.02 0.00 0.00 177.57 177.73 3kbt h ALA 1713N 1.32 1.33 -0.00 1.67 0.00 -0.94 -2.93 119.26 119.71 3kbt h ALA 1713Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kbt h ALA 1713Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kbt h ALA 1713CO -0.07 0.13 -0.23 -1.13 0.00 0.00 0.00 179.25 177.96 3kbt n SER 1714N -3.69 0.67 -4.53 0.00 3.41 -0.38 -4.70 113.62 104.40 3kbt n SER 1714Ca -0.02 -0.58 -0.46 0.00 -0.26 0.00 0.00 58.87 57.54 3kbt n SER 1714Cb 0.21 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3kbt n SER 1714CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3kbt n SER 1715N -0.95 0.52 0.09 4.04 2.88 -1.11 -4.88 113.62 114.21 3kbt n SER 1715Ca 0.12 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.88 3kbt n SER 1715Cb 0.32 -1.17 -0.01 0.00 -0.75 0.00 0.00 64.21 62.60 3kbt n SER 1715CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3kbt h PRO 1716N 1.92 0.00 -5.70 -1.46 0.13 -1.93 -3.49 132.00 121.47 3kbt h PRO 1716Ca -0.37 0.00 -0.81 0.00 -0.87 0.00 0.00 66.00 63.95 3kbt h PRO 1716Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 3kbt h PRO 1716CO 0.61 0.14 0.78 -1.91 -0.23 0.00 0.00 178.00 177.39 3kbt n GLU 1717N -2.84 0.00 -0.02 0.86 2.13 -1.26 -4.81 120.64 114.70 3kbt n GLU 1717Ca -0.03 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.85 3kbt n GLU 1717Cb 0.66 -1.43 -0.14 0.00 0.27 0.00 0.00 31.44 30.81 3kbt n GLU 1717CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3kbt n MET 1718N 4.48 0.68 0.00 5.31 2.81 -1.26 -5.05 117.12 124.10 3kbt n MET 1718Ca 0.34 -0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 3kbt n MET 1718Cb -0.05 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 3kbt n MET 1718CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kbt n GLY 1719N 1.59 -0.68 0.12 3.03 0.00 -1.26 -4.67 105.19 103.33 3kbt n GLY 1719Ca -0.08 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 3kbt n GLY 1719CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3kbt h GLN 1720N 0.00 0.31 0.00 1.61 3.07 -1.99 -3.45 115.11 114.66 3kbt h GLN 1720Ca 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 3kbt h GLN 1720Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.60 3kbt h GLN 1720CO 0.00 0.86 -0.01 -0.40 0.09 0.00 0.00 178.83 179.38 3kbt n ASP 1721N -4.48 1.68 -0.07 0.06 5.68 -1.26 -5.02 116.55 113.14 3kbt n ASP 1721Ca -0.08 -1.03 -0.15 0.00 -0.50 0.00 0.00 54.79 53.03 3kbt n ASP 1721Cb 0.46 0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.41 3kbt n ASP 1721CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3kbt h PHE 1722N 1.00 1.08 -0.26 2.11 3.57 -1.93 -2.51 116.94 120.01 3kbt h PHE 1722Ca -0.00 -0.40 -0.12 0.00 3.53 0.00 0.00 57.97 60.98 3kbt h PHE 1722Cb 0.02 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3kbt h PHE 1722CO 0.00 1.22 -0.33 -0.44 -2.23 0.00 0.00 178.31 176.53 3kbt h ASP 1723N 0.65 0.58 -0.09 0.41 3.32 -1.97 -0.12 116.42 119.20 3kbt h ASP 1723Ca 0.01 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 3kbt h ASP 1723Cb 1.18 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 3kbt h ASP 1723CO 0.13 0.88 -0.02 0.45 -1.72 0.00 0.00 179.24 178.95 3kbt h HIS 1724N 0.48 0.20 -0.73 4.55 3.86 -1.96 -1.31 115.15 120.23 3kbt h HIS 1724Ca 0.05 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3kbt h HIS 1724Cb 0.81 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 3kbt h HIS 1724CO 0.03 0.48 0.27 -0.24 0.86 0.00 0.00 177.93 179.34 3kbt h VAL 1725N -0.15 1.25 -0.45 2.45 3.04 -1.41 -0.31 116.25 120.67 3kbt h VAL 1725Ca 0.02 -0.82 0.07 0.00 -1.01 0.00 0.00 66.70 64.96 3kbt h VAL 1725Cb 0.42 0.40 -0.06 0.00 -2.01 0.00 0.00 31.29 30.04 3kbt h VAL 1725CO 0.01 0.33 0.12 0.74 -1.01 0.00 0.00 177.57 177.76 3kbt h THR 1726N 1.07 0.80 0.42 3.17 2.02 -0.88 0.21 112.91 119.73 3kbt h THR 1726Ca 0.24 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 3kbt h THR 1726Cb 0.24 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3kbt h THR 1726CO -0.02 0.05 -0.37 0.25 0.37 0.00 0.00 175.52 175.81 3kbt h LEU 1727N 0.27 -0.97 -0.54 2.58 7.12 -0.27 0.20 115.31 123.70 3kbt h LEU 1727Ca 0.22 0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.37 3kbt h LEU 1727Cb 0.25 0.32 -0.06 0.00 -0.53 0.00 0.00 40.66 40.64 3kbt h LEU 1727CO -0.25 -0.52 0.22 -0.07 -0.13 0.00 0.00 178.44 177.68 3kbt h LEU 1728N -0.79 0.24 -0.57 2.25 3.38 -0.77 0.31 115.31 119.37 3kbt h LEU 1728Ca -0.04 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kbt h LEU 1728Cb 0.69 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3kbt h LEU 1728CO -0.03 0.16 0.38 -0.09 0.09 0.00 0.00 178.44 178.95 3kbt h ARG 1729N 0.41 0.75 -0.19 1.13 1.12 -0.33 0.18 114.38 117.45 3kbt h ARG 1729Ca 0.26 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.92 3kbt h ARG 1729Cb 0.26 -0.17 -0.00 0.00 -0.01 0.00 0.00 29.97 30.05 3kbt h ARG 1729CO -0.24 0.49 -0.57 -0.44 -3.11 0.00 0.00 179.97 176.10 3kbt h ASP 1730N 0.77 0.65 -0.29 -3.80 3.32 -0.19 -1.78 116.42 115.11 3kbt h ASP 1730Ca 0.21 -0.36 -0.04 0.00 0.02 0.00 0.00 57.03 56.86 3kbt h ASP 1730Cb -0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3kbt h ASP 1730CO -0.05 1.08 0.01 0.11 -1.72 0.00 0.00 179.24 178.68 3kbt h LYS 1731N 0.45 0.49 -0.08 3.56 1.57 -0.18 -2.63 116.57 119.74 3kbt h LYS 1731Ca 0.00 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3kbt h LYS 1731Cb 1.12 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3kbt h LYS 1731CO 0.11 0.63 -0.27 0.35 -0.57 0.00 0.00 179.45 179.70 3kbt h PHE 1732N 0.29 0.15 -0.41 -1.35 3.57 -0.59 -1.61 116.94 117.00 3kbt h PHE 1732Ca 0.08 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3kbt h PHE 1732Cb 0.40 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3kbt h PHE 1732CO 0.03 0.40 0.07 -0.09 -2.23 0.00 0.00 178.31 176.50 3kbt h ARG 1733N 0.13 0.68 -0.91 1.11 2.43 -1.17 0.15 114.38 116.80 3kbt h ARG 1733Ca 0.02 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3kbt h ARG 1733Cb 0.55 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3kbt h ARG 1733CO 0.04 0.71 0.57 -0.44 -1.51 0.00 0.00 179.97 179.34 3kbt h ASP 1734N 0.53 1.08 -0.49 -3.80 3.32 -1.14 -1.43 116.42 114.49 3kbt h ASP 1734Ca 0.13 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3kbt h ASP 1734Cb 0.36 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3kbt h ASP 1734CO 0.01 0.81 0.07 0.15 -1.72 0.00 0.00 179.24 178.56 3kbt h PHE 1735N 1.25 0.86 -0.47 4.55 3.57 -0.91 -0.44 116.94 125.35 3kbt h PHE 1735Ca 0.33 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3kbt h PHE 1735Cb -0.08 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 3kbt h PHE 1735CO -0.00 0.80 0.26 0.00 -2.23 0.00 0.00 178.31 177.14 3kbt h ALA 1736N 0.96 1.58 0.04 2.41 0.00 -0.21 -1.03 119.26 123.01 3kbt h ALA 1736Ca 0.15 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3kbt h ALA 1736Cb 0.40 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3kbt h ALA 1736CO 0.01 0.36 -0.26 -0.09 0.00 0.00 0.00 179.25 179.26 3kbt h ARG 1737N 0.65 0.11 -0.81 0.00 2.43 -1.06 -1.47 114.38 114.23 3kbt h ARG 1737Ca 0.17 -0.17 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3kbt h ARG 1737Cb 0.01 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3kbt h ARG 1737CO -0.03 1.04 0.53 1.49 -1.51 0.00 0.00 179.97 181.49 3kbt h GLU 1738N -0.72 1.04 -0.54 0.20 4.57 -1.04 -1.29 114.58 116.81 3kbt h GLU 1738Ca -0.04 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 57.99 3kbt h GLU 1738Cb 1.16 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 3kbt h GLU 1738CO 0.05 0.69 -0.01 1.15 -1.18 0.00 0.00 179.01 179.71 3kbt h THR 1739N 1.07 1.26 -0.32 0.32 2.02 -1.25 -1.26 112.91 114.76 3kbt h THR 1739Ca 0.31 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3kbt h THR 1739Cb -0.08 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3kbt h THR 1739CO -0.08 0.40 0.13 1.23 0.37 0.00 0.00 175.52 177.56 3kbt h GLY 1740N 0.83 0.51 0.77 2.16 0.00 -0.98 0.65 103.07 107.02 3kbt h GLY 1740Ca 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3kbt h GLY 1740CO 0.03 0.26 -0.31 0.00 0.00 0.00 0.00 176.54 176.53 3kbt h ALA 1741N 0.97 -0.85 -0.28 3.60 0.00 -1.11 -1.96 119.26 119.64 3kbt h ALA 1741Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kbt h ALA 1741Cb 0.18 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kbt h ALA 1741CO -0.01 -0.86 0.13 0.82 0.00 0.00 0.00 179.25 179.33 3kbt h ILE 1742N -1.09 1.16 0.05 0.00 1.08 -1.30 -3.04 117.51 114.35 3kbt h ILE 1742Ca -0.09 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3kbt h ILE 1742Cb 0.70 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3kbt h ILE 1742CO 0.14 0.16 -0.02 1.23 -0.69 0.00 0.00 178.15 178.97 3kbt h GLY 1743N 0.31 -0.06 0.33 5.37 0.00 -0.92 -2.55 103.07 105.55 3kbt h GLY 1743Ca 0.09 0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.57 3kbt h GLY 1743CO -0.01 -0.02 0.36 -1.61 0.00 0.00 0.00 176.54 175.25 3kbt h GLN 1744N -0.07 0.55 0.45 4.80 5.75 -1.39 0.32 115.11 125.51 3kbt h GLN 1744Ca -0.01 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3kbt h GLN 1744Cb 0.06 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3kbt h GLN 1744CO 0.01 0.36 -0.31 1.49 -2.65 0.00 0.00 178.83 177.73 3kbt h GLU 1745N 0.57 -0.71 -0.74 1.69 4.81 -1.40 0.26 114.58 119.05 3kbt h GLU 1745Ca 0.39 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.75 3kbt h GLU 1745Cb 0.49 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.97 3kbt h GLU 1745CO -0.32 -0.48 0.42 0.00 -0.73 0.00 0.00 179.01 177.90 3kbt h ARG 1746N -0.74 0.71 -0.33 1.92 3.08 -0.96 0.12 114.38 118.17 3kbt h ARG 1746Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3kbt h ARG 1746Cb 0.62 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.50 3kbt h ARG 1746CO 0.02 0.47 0.21 0.28 -1.07 0.00 0.00 179.97 179.89 3kbt h VAL 1747N 0.73 1.09 -0.26 2.04 2.07 -0.17 -1.82 116.25 119.93 3kbt h VAL 1747Ca 0.35 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3kbt h VAL 1747Cb 0.27 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3kbt h VAL 1747CO -0.22 0.09 0.05 0.44 0.02 0.00 0.00 177.57 177.95 3kbt h ASP 1748N 0.44 0.01 -0.94 0.57 5.19 0.97 -0.85 116.42 121.81 3kbt h ASP 1748Ca 0.12 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.60 3kbt h ASP 1748Cb -0.03 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 3kbt h ASP 1748CO -0.02 0.04 0.61 0.78 -3.12 0.00 0.00 179.24 177.53 3kbt h ASN 1749N 0.15 1.03 0.23 6.45 2.35 -0.64 0.22 115.58 125.36 3kbt h ASN 1749Ca 0.12 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 3kbt h ASN 1749Cb 0.12 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3kbt h ASN 1749CO -0.16 0.71 -0.53 0.58 -1.65 0.00 0.00 177.43 176.39 3kbt h VAL 1750N 1.20 1.35 0.02 2.81 2.07 -0.94 -1.91 116.25 120.84 3kbt h VAL 1750Ca 0.37 -1.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 3kbt h VAL 1750Cb -0.03 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3kbt h VAL 1750CO -0.11 0.54 -0.01 0.78 0.02 0.00 0.00 177.57 178.79 3kbt h ASN 1751N 0.26 -0.02 -0.85 0.57 2.35 -0.11 0.28 115.58 118.07 3kbt h ASN 1751Ca 0.01 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.46 3kbt h ASN 1751Cb 1.02 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.34 3kbt h ASN 1751CO 0.09 0.33 0.54 0.00 -1.65 0.00 0.00 177.43 176.73 3kbt h ALA 1752N 0.61 1.12 0.09 -0.83 0.00 -0.61 0.40 119.26 120.04 3kbt h ALA 1752Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kbt h ALA 1752Cb 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kbt h ALA 1752CO 0.00 0.36 -0.04 0.35 0.00 0.00 0.00 179.25 179.92 3kbt h PHE 1753N 1.04 -0.11 -0.95 0.00 3.57 -1.30 -0.67 116.94 118.51 3kbt h PHE 1753Ca 0.34 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.94 3kbt h PHE 1753Cb 0.04 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.74 3kbt h PHE 1753CO -0.02 0.11 0.59 0.82 -2.23 0.00 0.00 178.31 177.57 3kbt h ILE 1754N -0.32 0.95 -0.63 1.41 2.04 -0.40 -1.46 117.51 119.09 3kbt h ILE 1754Ca -0.01 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 3kbt h ILE 1754Cb 0.27 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 3kbt h ILE 1754CO 0.02 0.18 0.05 -0.33 0.00 0.00 0.00 178.15 178.06 3kbt h GLU 1755N 0.97 1.07 -0.97 2.37 4.39 -0.56 -2.34 114.58 119.51 3kbt h GLU 1755Ca 0.46 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.86 3kbt h GLU 1755Cb 0.39 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.88 3kbt h GLU 1755CO -0.24 1.01 0.64 0.00 -1.16 0.00 0.00 179.01 179.26 3kbt h ARG 1756N 0.99 1.26 0.46 2.33 3.08 -0.10 1.00 114.38 123.39 3kbt h ARG 1756Ca 0.18 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3kbt h ARG 1756Cb 0.50 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kbt h ARG 1756CO 0.02 0.83 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.46 3kbt h LEU 1757N 1.30 -0.52 -0.74 3.04 3.38 -1.04 -1.08 115.31 119.65 3kbt h LEU 1757Ca 0.36 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.37 3kbt h LEU 1757Cb -0.12 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3kbt h LEU 1757CO -0.09 -0.28 0.40 0.40 0.09 0.00 0.00 178.44 178.96 3kbt h ILE 1758N -0.75 0.90 -0.44 1.22 2.04 -1.10 -1.74 117.51 117.64 3kbt h ILE 1758Ca -0.06 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3kbt h ILE 1758Cb 0.53 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3kbt h ILE 1758CO 0.10 0.13 0.11 0.44 0.00 0.00 0.00 178.15 178.93 3kbt h ASP 1759N 0.69 0.61 1.24 1.72 5.19 -0.69 -1.79 116.42 123.39 3kbt h ASP 1759Ca 0.35 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3kbt h ASP 1759Cb 0.32 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.67 3kbt h ASP 1759CO -0.24 0.61 0.00 0.00 -3.12 0.00 0.00 179.24 176.49 3kbt n ALA 1760N -2.47 2.17 -0.86 3.45 0.00 -0.42 -5.00 120.51 117.38 3kbt n ALA 1760Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3kbt n ALA 1760Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.20 3kbt n ALA 1760CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kbt n GLY 1761N 1.09 -2.00 3.22 0.00 0.00 -0.67 -5.09 105.19 101.73 3kbt n GLY 1761Ca 0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 3kbt n GLY 1761CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kbt s HIS 1762N 0.00 1.70 0.10 1.61 5.04 -1.25 -4.96 115.29 117.53 3kbt s HIS 1762Ca 0.00 -0.36 0.33 0.00 -1.54 0.00 0.00 55.06 53.49 3kbt s HIS 1762Cb 0.00 -1.02 1.58 0.00 0.04 0.00 0.00 32.58 33.17 3kbt s HIS 1762CO 0.00 0.06 1.99 0.66 -2.34 0.00 0.00 174.74 175.12 3kbt h SER 1763N 5.02 0.00 -0.21 9.88 4.64 -1.97 -3.17 113.55 127.74 3kbt h SER 1763Ca -0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3kbt h SER 1763Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3kbt h SER 1763CO 0.45 0.00 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.78 3kbt n GLU 1764N -2.79 2.52 0.15 4.77 -0.58 -1.26 -4.76 120.64 118.70 3kbt n GLU 1764Ca -0.00 -2.81 0.09 0.00 -0.42 0.00 0.00 57.16 54.01 3kbt n GLU 1764Cb 0.18 -1.78 0.60 0.00 -0.57 0.00 0.00 31.44 29.87 3kbt n GLU 1764CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kbt h ALA 1765N 1.38 2.02 -0.54 0.62 0.00 -1.98 0.18 119.26 120.94 3kbt h ALA 1765Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3kbt h ALA 1765Cb 1.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3kbt h ALA 1765CO 0.19 -0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.44 3kbt h ALA 1766N 1.90 0.72 -0.06 0.00 0.00 -1.89 -1.77 119.26 118.16 3kbt h ALA 1766Ca 0.08 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3kbt h ALA 1766Cb 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kbt h ALA 1766CO -0.01 0.50 -0.31 1.15 0.00 0.00 0.00 179.25 180.57 3kbt h THR 1767N 0.80 1.43 -0.71 0.00 2.02 -1.12 -3.05 112.91 112.29 3kbt h THR 1767Ca 0.16 -1.73 0.12 0.00 0.77 0.00 0.00 66.41 65.74 3kbt h THR 1767Cb 0.45 2.35 -0.09 0.00 -1.74 0.00 0.00 68.15 69.12 3kbt h THR 1767CO 0.02 0.49 0.28 0.40 0.37 0.00 0.00 175.52 177.08 3kbt h ILE 1768N -0.18 0.70 -0.52 3.11 2.04 -1.04 -2.06 117.51 119.56 3kbt h ILE 1768Ca -0.02 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3kbt h ILE 1768Cb 0.96 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3kbt h ILE 1768CO 0.06 0.08 0.29 0.00 0.00 0.00 0.00 178.15 178.59 3kbt h ALA 1769N 1.50 0.67 -0.71 1.87 0.00 -1.31 -0.56 119.26 120.72 3kbt h ALA 1769Ca 0.38 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.36 3kbt h ALA 1769Cb 0.54 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kbt h ALA 1769CO -0.37 -0.03 0.47 0.93 0.00 0.00 0.00 179.25 180.25 3kbt h GLU 1770N 0.57 0.69 -0.21 0.00 5.08 -1.28 -0.20 114.58 119.22 3kbt h GLU 1770Ca 0.22 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3kbt h GLU 1770Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3kbt h GLU 1770CO -0.12 0.45 0.01 -1.49 -1.00 0.00 0.00 179.01 176.86 3kbt h TRP 1771N 0.71 0.40 -0.38 4.33 6.55 -0.65 -0.14 115.95 126.77 3kbt h TRP 1771Ca 0.31 -0.07 0.02 0.00 0.95 0.00 0.00 58.89 60.10 3kbt h TRP 1771Cb 0.30 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 28.47 3kbt h TRP 1771CO -0.00 0.54 0.22 -0.22 -1.05 0.00 0.00 178.44 177.93 3kbt h LYS 1772N 0.15 0.43 -0.27 0.49 3.64 -0.14 -0.11 116.57 120.76 3kbt h LYS 1772Ca 0.06 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3kbt h LYS 1772Cb 0.37 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3kbt h LYS 1772CO 0.01 0.28 0.13 -0.44 -2.27 0.00 0.00 179.45 177.16 3kbt h ASP 1773N 0.44 0.20 -0.42 4.20 3.32 -0.97 0.19 116.42 123.37 3kbt h ASP 1773Ca 0.15 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.24 3kbt h ASP 1773Cb 0.01 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3kbt h ASP 1773CO -0.08 0.15 0.22 1.23 -1.72 0.00 0.00 179.24 179.04 3kbt h GLY 1774N 0.28 0.58 0.80 2.75 0.00 -0.49 -1.79 103.07 105.20 3kbt h GLY 1774Ca 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3kbt h GLY 1774CO -0.08 0.12 0.01 -2.00 0.00 0.00 0.00 176.54 174.60 3kbt h LEU 1775N 0.44 0.06 -1.23 3.11 5.85 -0.55 -2.04 115.31 120.95 3kbt h LEU 1775Ca 0.18 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3kbt h LEU 1775Cb 0.06 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3kbt h LEU 1775CO -0.11 0.26 0.52 0.78 -0.34 0.00 0.00 178.44 179.55 3kbt h ASN 1776N -0.14 0.89 -0.29 1.25 2.35 -0.46 -1.46 115.58 117.73 3kbt h ASN 1776Ca 0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3kbt h ASN 1776Cb 0.22 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3kbt h ASN 1776CO -0.00 0.64 0.12 -0.08 -1.65 0.00 0.00 177.43 176.46 3kbt h GLU 1777N 1.05 0.43 -0.63 0.81 4.81 -1.20 -1.96 114.58 117.89 3kbt h GLU 1777Ca 0.29 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3kbt h GLU 1777Cb -0.09 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.18 3kbt h GLU 1777CO -0.07 0.45 0.39 0.52 -0.73 0.00 0.00 179.01 179.57 3kbt h MET 1778N 0.31 0.75 -0.04 1.92 2.86 -0.77 -0.99 114.93 118.98 3kbt h MET 1778Ca 0.10 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3kbt h MET 1778Cb 0.18 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3kbt h MET 1778CO -0.01 0.50 -0.12 2.35 1.06 0.00 0.00 176.91 180.69 3kbt h TRP 1779N 0.77 -0.31 -0.58 -0.22 -0.00 -1.12 0.16 115.95 114.66 3kbt h TRP 1779Ca 0.25 0.01 0.03 0.00 -0.00 0.00 0.00 58.89 59.19 3kbt h TRP 1779Cb -0.00 0.14 -0.04 0.00 -0.00 0.00 0.00 29.16 29.26 3kbt h TRP 1779CO -0.05 -0.18 0.34 0.00 -0.00 0.00 0.00 178.44 178.55 3kbt h ALA 1780N 0.81 0.75 -0.50 2.65 0.00 -0.73 -0.20 119.26 122.03 3kbt h ALA 1780Ca 0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3kbt h ALA 1780Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3kbt h ALA 1780CO -0.15 0.04 0.30 -0.44 0.00 0.00 0.00 179.25 179.00 3kbt h ASP 1781N 0.66 0.47 0.01 0.00 3.32 -0.86 0.01 116.42 120.04 3kbt h ASP 1781Ca 0.24 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3kbt h ASP 1781Cb 0.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3kbt h ASP 1781CO -0.12 0.33 -0.04 0.25 -1.72 0.00 0.00 179.24 177.94 3kbt h LEU 1782N 0.59 -0.10 -1.99 1.55 5.85 0.60 0.31 115.31 122.11 3kbt h LEU 1782Ca 0.21 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.99 3kbt h LEU 1782Cb 0.03 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3kbt h LEU 1782CO -0.10 -0.06 0.12 -0.07 -0.34 0.00 0.00 178.44 177.99 3kbt h LEU 1783N -0.07 0.01 0.06 2.25 3.38 -0.70 0.13 115.31 120.36 3kbt h LEU 1783Ca 0.01 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3kbt h LEU 1783Cb 0.09 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kbt h LEU 1783CO -0.03 0.01 -0.56 -0.08 0.09 0.00 0.00 178.44 177.87 3kbt h GLU 1784N 0.01 0.28 -0.71 1.13 4.81 -0.18 -2.48 114.58 117.43 3kbt h GLU 1784Ca 0.08 -0.37 0.10 0.00 -0.13 0.00 0.00 59.36 59.03 3kbt h GLU 1784Cb 0.30 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 3kbt h GLU 1784CO -0.00 1.11 0.35 -0.07 -0.73 0.00 0.00 179.01 179.67 3kbt h LEU 1785N -0.38 0.44 -0.86 1.64 3.38 0.18 -0.31 115.31 119.40 3kbt h LEU 1785Ca -0.09 0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3kbt h LEU 1785Cb 1.35 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 3kbt h LEU 1785CO 0.11 0.25 0.56 0.40 0.09 0.00 0.00 178.44 179.84 3kbt h ILE 1786N 0.59 1.14 -0.48 1.22 2.04 -0.80 -1.88 117.51 119.34 3kbt h ILE 1786Ca 0.35 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.72 3kbt h ILE 1786Cb 0.39 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3kbt h ILE 1786CO -0.28 0.20 -0.15 -0.78 0.00 0.00 0.00 178.15 177.14 3kbt h ASP 1787N 1.09 0.97 -0.04 1.72 3.58 -0.71 -1.96 116.42 121.06 3kbt h ASP 1787Ca 0.34 -0.38 -0.14 0.00 0.42 0.00 0.00 57.03 57.28 3kbt h ASP 1787Cb 0.00 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3kbt h ASP 1787CO -0.11 1.12 -0.45 0.71 -2.88 0.00 0.00 179.24 177.63 3kbt h THR 1788N 0.80 1.31 -0.97 2.25 1.35 -0.87 -0.84 112.91 115.94 3kbt h THR 1788Ca 0.12 -1.64 0.03 0.00 -0.55 0.00 0.00 66.41 64.36 3kbt h THR 1788Cb 0.72 1.62 -0.05 0.00 -1.73 0.00 0.00 68.15 68.70 3kbt h THR 1788CO 0.05 0.52 0.63 -0.09 -0.25 0.00 0.00 175.52 176.39 3kbt h ARG 1789N 0.47 1.21 -0.49 4.72 9.65 -1.25 0.22 114.38 128.91 3kbt h ARG 1789Ca 0.03 -0.07 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 3kbt h ARG 1789Cb 0.97 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 3kbt h ARG 1789CO 0.09 0.80 -0.08 1.98 2.80 0.00 0.00 179.97 185.56 3kbt h MET 1790N 1.25 0.93 -0.55 0.20 4.05 -0.95 -0.75 114.93 119.10 3kbt h MET 1790Ca 0.37 -0.34 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 3kbt h MET 1790Cb -0.05 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 3kbt h MET 1790CO -0.11 0.99 0.20 1.96 0.23 0.00 0.00 176.91 180.19 3kbt h GLN 1791N 0.78 0.84 0.25 0.39 4.20 -0.60 0.00 115.11 120.98 3kbt h GLN 1791Ca 0.13 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3kbt h GLN 1791Cb 0.63 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3kbt h GLN 1791CO 0.04 0.74 -0.35 1.25 -0.67 0.00 0.00 178.83 179.84 3kbt h LEU 1792N 0.76 -0.98 -1.86 1.46 5.85 -0.30 -1.85 115.31 118.40 3kbt h LEU 1792Ca 0.18 0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.00 3kbt h LEU 1792Cb 0.23 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3kbt h LEU 1792CO -0.01 -0.47 0.10 -0.07 -0.34 0.00 0.00 178.44 177.66 3kbt h LEU 1793N -0.66 0.17 -0.58 2.25 3.38 -0.98 -0.58 115.31 118.31 3kbt h LEU 1793Ca -0.00 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3kbt h LEU 1793Cb 0.63 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3kbt h LEU 1793CO -0.12 0.12 -0.15 0.00 0.09 0.00 0.00 178.44 178.37 3kbt h ALA 1794N 1.90 0.77 -0.36 1.53 0.00 -0.61 -0.40 119.26 122.10 3kbt h ALA 1794Ca 0.06 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3kbt h ALA 1794Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kbt h ALA 1794CO -0.01 0.67 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 3kbt h ALA 1795N 0.95 0.49 -0.65 0.00 0.00 -0.45 -0.65 119.26 118.95 3kbt h ALA 1795Ca 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kbt h ALA 1795Cb 0.71 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3kbt h ALA 1795CO 0.05 0.32 0.38 1.03 0.00 0.00 0.00 179.25 181.03 3kbt h SER 1796N 0.48 0.79 -0.33 0.00 0.87 -1.05 -2.04 113.55 112.26 3kbt h SER 1796Ca 0.10 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3kbt h SER 1796Cb 0.55 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 3kbt h SER 1796CO 0.03 0.62 0.11 0.22 -0.53 0.00 0.00 176.83 177.29 3kbt h TYR 1797N 0.88 0.20 -0.71 2.24 3.20 -0.86 -2.10 116.97 119.83 3kbt h TYR 1797Ca 0.23 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.19 3kbt h TYR 1797Cb -0.01 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.16 3kbt h TYR 1797CO -0.01 0.09 0.39 -0.44 -1.64 0.00 0.00 178.16 176.55 3kbt h ASP 1798N 0.26 0.58 -0.14 -2.11 5.19 -0.61 0.23 116.42 119.81 3kbt h ASP 1798Ca 0.15 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3kbt h ASP 1798Cb 0.12 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 3kbt h ASP 1798CO -0.15 0.36 0.08 0.25 -3.12 0.00 0.00 179.24 176.66 3kbt h LEU 1799N 0.71 0.17 -0.75 1.55 5.85 -1.08 -1.21 115.31 120.56 3kbt h LEU 1799Ca 0.32 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.85 3kbt h LEU 1799Cb 0.23 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3kbt h LEU 1799CO -0.20 0.19 -0.37 0.45 -0.34 0.00 0.00 178.44 178.16 3kbt h HIS 1800N 0.14 0.61 -0.35 1.25 3.86 -0.97 -2.83 115.15 116.87 3kbt h HIS 1800Ca 0.05 -0.17 -0.05 0.00 -1.16 0.00 0.00 60.37 59.05 3kbt h HIS 1800Cb 0.05 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 3kbt h HIS 1800CO -0.05 0.82 0.02 -0.09 0.86 0.00 0.00 177.93 179.49 3kbt h ARG 1801N 0.43 0.53 0.69 2.45 2.43 -0.37 -0.44 114.38 120.11 3kbt h ARG 1801Ca 0.04 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3kbt h ARG 1801Cb 0.85 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3kbt h ARG 1801CO 0.07 0.55 -0.33 -0.92 -1.51 0.00 0.00 179.97 177.82 3kbt h TYR 1802N 0.51 -0.86 -0.89 2.20 3.20 -1.11 -1.51 116.97 118.52 3kbt h TYR 1802Ca 0.11 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3kbt h TYR 1802Cb 0.31 0.28 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 3kbt h TYR 1802CO 0.01 -0.53 0.52 0.74 -1.64 0.00 0.00 178.16 177.26 3kbt h PHE 1803N -1.22 0.94 -0.38 -3.82 0.04 -1.41 0.37 116.94 111.47 3kbt h PHE 1803Ca -0.09 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.72 3kbt h PHE 1803Cb 0.71 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3kbt h PHE 1803CO 0.01 0.35 0.23 -0.92 -0.60 0.00 0.00 178.31 177.37 3kbt h TYR 1804N 0.83 0.42 -0.69 -0.55 3.20 -1.12 -2.21 116.97 116.85 3kbt h TYR 1804Ca 0.45 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.29 3kbt h TYR 1804Cb 0.47 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 3kbt h TYR 1804CO -0.05 0.25 0.25 1.15 -1.64 0.00 0.00 178.16 178.13 3kbt h THR 1805N 0.46 1.24 0.01 1.81 2.02 -0.09 -1.92 112.91 116.43 3kbt h THR 1805Ca 0.15 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.55 3kbt h THR 1805Cb 0.00 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 3kbt h THR 1805CO -0.07 0.31 -0.08 1.23 0.37 0.00 0.00 175.52 177.29 3kbt h GLY 1806N 1.08 -0.09 0.51 2.16 0.00 -0.67 -0.70 103.07 105.36 3kbt h GLY 1806Ca 0.23 0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.71 3kbt h GLY 1806CO -0.02 -0.08 0.11 0.00 0.00 0.00 0.00 176.54 176.55 3kbt h ALA 1807N 0.84 0.49 -0.49 3.60 0.00 -1.11 -0.96 119.26 121.63 3kbt h ALA 1807Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3kbt h ALA 1807Cb 0.17 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3kbt h ALA 1807CO -0.07 -0.29 0.25 0.93 0.00 0.00 0.00 179.25 180.06 3kbt h GLU 1808N 0.25 0.47 -0.42 0.00 4.39 -1.07 -2.56 114.58 115.66 3kbt h GLU 1808Ca 0.21 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 3kbt h GLU 1808Cb 0.24 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3kbt h GLU 1808CO -0.25 0.31 0.20 0.82 -1.16 0.00 0.00 179.01 178.94 3kbt h ILE 1809N 0.49 1.17 -0.73 3.13 2.04 -0.42 -0.72 117.51 122.47 3kbt h ILE 1809Ca 0.21 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.66 3kbt h ILE 1809Cb 0.12 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 3kbt h ILE 1809CO -0.15 0.19 0.40 -0.07 0.00 0.00 0.00 178.15 178.52 3kbt h LEU 1810N 0.53 0.58 -0.91 1.44 3.38 -1.01 0.34 115.31 119.67 3kbt h LEU 1810Ca 0.14 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3kbt h LEU 1810Cb 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kbt h LEU 1810CO -0.02 0.36 0.08 1.23 0.09 0.00 0.00 178.44 180.18 3kbt h GLY 1811N 0.71 0.95 1.49 0.83 0.00 -1.15 -0.07 103.07 105.83 3kbt h GLY 1811Ca 0.34 -0.60 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3kbt h GLY 1811CO -0.22 0.56 -0.56 1.41 0.00 0.00 0.00 176.54 177.73 3kbt h LEU 1812N 0.84 0.59 -0.02 3.11 3.38 0.44 0.35 115.31 124.00 3kbt h LEU 1812Ca 0.17 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kbt h LEU 1812Cb 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kbt h LEU 1812CO 0.01 1.03 -0.00 0.40 0.09 0.00 0.00 178.44 179.96 3kbt h ILE 1813N 0.40 1.27 -0.55 1.22 1.08 -0.22 -2.67 117.51 118.05 3kbt h ILE 1813Ca 0.01 -0.81 0.04 0.00 -0.39 0.00 0.00 64.86 63.71 3kbt h ILE 1813Cb 1.10 1.78 -0.04 0.00 -3.07 0.00 0.00 36.82 36.58 3kbt h ILE 1813CO 0.10 0.21 0.30 -0.78 -0.69 0.00 0.00 178.15 177.29 3kbt h ASP 1814N -0.29 0.45 -0.28 1.72 3.58 -1.00 0.93 116.42 121.53 3kbt h ASP 1814Ca 0.01 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.51 3kbt h ASP 1814Cb 0.35 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 3kbt h ASP 1814CO 0.00 0.31 0.07 -0.08 -2.88 0.00 0.00 179.24 176.66 3kbt h GLU 1815N 0.58 0.17 -0.52 0.28 4.81 -0.95 -1.42 114.58 117.53 3kbt h GLU 1815Ca 0.23 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 3kbt h GLU 1815Cb 0.11 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3kbt h GLU 1815CO -0.14 0.11 -0.11 0.87 -0.73 0.00 0.00 179.01 179.01 3kbt h LYS 1816N 0.18 0.99 -0.27 1.92 1.79 -1.10 -2.27 116.57 117.81 3kbt h LYS 1816Ca 0.13 -0.37 0.05 0.00 -2.18 0.00 0.00 60.65 58.27 3kbt h LYS 1816Cb 0.12 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 3kbt h LYS 1816CO -0.16 1.05 0.00 1.25 -1.08 0.00 0.00 179.45 180.51 3kbt h HIS 1817N 0.86 -0.01 0.00 -1.35 2.76 -0.52 -1.30 115.15 115.59 3kbt h HIS 1817Ca 0.13 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3kbt h HIS 1817Cb 0.67 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 3kbt h HIS 1817CO 0.05 -0.04 -0.29 0.00 -1.30 0.00 0.00 177.93 176.35 3kbt h ARG 1818N 0.09 0.00 0.00 5.26 3.08 -1.24 -3.51 114.38 118.05 3kbt h ARG 1818Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3kbt h ARG 1818Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3kbt h ARG 1818CO -0.21 0.29 0.00 -1.91 -1.07 0.00 0.00 179.97 177.07 3kbt n GLU 1819N -4.17 1.91 0.00 0.04 2.13 -0.50 -5.11 120.64 114.94 3kbt n GLU 1819Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 3kbt n GLU 1819Cb 0.34 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.05 3kbt n GLU 1819CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3kbt n PHE 1841N 0.00 0.00 -0.15 4.31 7.35 -1.26 -5.06 117.46 122.65 3kbt n PHE 1841Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3kbt n PHE 1841Cb 0.00 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.89 3kbt n PHE 1841CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kbt h GLU 1842N 0.00 0.28 -0.16 -4.13 3.07 -2.06 -3.02 114.58 108.56 3kbt h GLU 1842Ca 0.00 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 3kbt h GLU 1842Cb 0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3kbt h GLU 1842CO 0.00 0.19 -0.21 0.00 -1.40 0.00 0.00 179.01 177.59 3kbt h ARG 1843N 0.29 0.43 -0.91 2.33 3.08 -2.06 -3.30 114.38 114.25 3kbt h ARG 1843Ca 0.23 -0.24 0.21 0.00 0.07 0.00 0.00 59.98 60.25 3kbt h ARG 1843Cb 0.27 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.22 3kbt h ARG 1843CO -0.27 0.82 0.43 -0.44 -1.07 0.00 0.00 179.97 179.44 3kbt h ASP 1844N 0.06 0.41 -0.43 7.04 3.32 -1.97 -1.63 116.42 123.22 3kbt h ASP 1844Ca 0.02 0.14 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3kbt h ASP 1844Cb 0.76 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3kbt h ASP 1844CO 0.05 0.05 -0.25 0.58 -1.72 0.00 0.00 179.24 177.95 3kbt h VAL 1845N 0.46 1.27 -0.75 -1.35 2.07 -1.62 0.18 116.25 116.51 3kbt h VAL 1845Ca 0.56 -1.41 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 3kbt h VAL 1845Cb 1.03 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3kbt h VAL 1845CO -0.50 0.48 0.32 -0.74 0.02 0.00 0.00 177.57 177.15 3kbt h HIS 1846N 0.81 1.10 -0.09 1.57 -0.00 -1.41 0.19 115.15 117.32 3kbt h HIS 1846Ca 0.10 -0.07 -0.05 0.00 -0.00 0.00 0.00 60.37 60.36 3kbt h HIS 1846Cb 0.82 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.89 3kbt h HIS 1846CO 0.05 0.82 -0.12 -0.07 -0.00 0.00 0.00 177.93 178.62 3kbt h LEU 1847N 1.08 0.27 -1.49 0.26 3.38 -1.09 -1.01 115.31 116.70 3kbt h LEU 1847Ca 0.25 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3kbt h LEU 1847Cb 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3kbt h LEU 1847CO -0.03 0.72 0.37 0.25 0.09 0.00 0.00 178.44 179.84 3kbt h LEU 1848N -0.18 0.58 -0.95 1.67 5.85 -0.58 -1.19 115.31 120.51 3kbt h LEU 1848Ca 0.01 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 3kbt h LEU 1848Cb 0.65 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 3kbt h LEU 1848CO 0.03 0.41 0.62 1.23 -0.34 0.00 0.00 178.44 180.39 3kbt h GLY 1849N 0.68 1.38 0.86 3.75 0.00 -0.31 -1.12 103.07 108.29 3kbt h GLY 1849Ca 0.22 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 3kbt h GLY 1849CO -0.06 0.42 0.04 -0.24 0.00 0.00 0.00 176.54 176.71 3kbt h VAL 1850N 1.22 1.22 -0.87 4.60 3.04 -0.02 -1.88 116.25 123.56 3kbt h VAL 1850Ca 0.37 -0.72 0.13 0.00 -1.01 0.00 0.00 66.70 65.47 3kbt h VAL 1850Cb -0.03 1.27 -0.07 0.00 -2.01 0.00 0.00 31.29 30.45 3kbt h VAL 1850CO -0.11 0.23 0.56 -0.61 -1.01 0.00 0.00 177.57 176.62 3kbt h GLN 1851N 0.17 0.70 -0.28 4.17 4.15 -0.94 -0.07 115.11 123.02 3kbt h GLN 1851Ca 0.07 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 3kbt h GLN 1851Cb 0.30 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3kbt h GLN 1851CO 0.00 0.47 -0.03 0.28 -1.93 0.00 0.00 178.83 177.62 3kbt h VAL 1852N 0.72 1.27 -0.83 2.39 2.07 -1.00 -2.29 116.25 118.58 3kbt h VAL 1852Ca 0.42 -1.01 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3kbt h VAL 1852Cb 0.61 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 3kbt h VAL 1852CO -0.18 0.32 0.51 -0.61 0.02 0.00 0.00 177.57 177.62 3kbt h GLN 1853N 0.28 0.90 0.15 1.57 5.75 -0.22 -0.30 115.11 123.24 3kbt h GLN 1853Ca 0.07 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3kbt h GLN 1853Cb 0.48 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 28.83 3kbt h GLN 1853CO 0.02 0.60 -0.07 1.96 -2.65 0.00 0.00 178.83 178.69 3kbt h GLN 1854N 0.93 -0.19 -0.99 1.69 7.50 -1.17 -2.19 115.11 120.68 3kbt h GLN 1854Ca 0.37 0.01 0.15 0.00 0.50 0.00 0.00 58.65 59.68 3kbt h GLN 1854Cb 0.18 0.04 -0.09 0.00 0.05 0.00 0.00 27.48 27.66 3kbt h GLN 1854CO -0.18 -0.08 0.62 0.35 -1.50 0.00 0.00 178.83 178.04 3kbt h PHE 1855N -0.25 1.07 -0.60 2.96 3.57 -0.82 -0.03 116.94 122.85 3kbt h PHE 1855Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 3kbt h PHE 1855Cb 0.19 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3kbt h PHE 1855CO -0.05 0.36 0.39 1.96 -2.23 0.00 0.00 178.31 178.74 3kbt h GLN 1856N 0.87 0.78 -0.37 1.11 4.20 -0.70 -1.66 115.11 119.35 3kbt h GLN 1856Ca 0.52 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 59.15 3kbt h GLN 1856Cb 0.67 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3kbt h GLN 1856CO -0.29 0.52 0.09 -0.44 -0.67 0.00 0.00 178.83 178.03 3kbt h ASP 1857N 0.80 0.56 -0.70 1.46 3.32 -0.44 -2.97 116.42 118.46 3kbt h ASP 1857Ca 0.22 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.08 3kbt h ASP 1857Cb -0.08 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.27 3kbt h ASP 1857CO -0.05 0.65 0.43 0.58 -1.72 0.00 0.00 179.24 179.12 3kbt h VAL 1858N 0.45 1.05 -0.95 -1.35 2.07 -1.06 -2.35 116.25 114.11 3kbt h VAL 1858Ca 0.12 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kbt h VAL 1858Cb 0.31 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3kbt h VAL 1858CO 0.00 0.15 0.62 0.00 0.02 0.00 0.00 177.57 178.36 3kbt h ALA 1859N 1.32 1.31 -0.11 1.67 0.00 -1.18 -1.57 119.26 120.70 3kbt h ALA 1859Ca 0.29 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3kbt h ALA 1859Cb 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3kbt h ALA 1859CO -0.13 0.63 -0.26 1.15 0.00 0.00 0.00 179.25 180.64 3kbt h THR 1860N 1.29 1.39 -0.34 0.00 2.02 -1.34 -2.23 112.91 113.70 3kbt h THR 1860Ca 0.35 -1.56 0.05 0.00 0.77 0.00 0.00 66.41 66.02 3kbt h THR 1860Cb -0.14 2.12 -0.05 0.00 -1.74 0.00 0.00 68.15 68.34 3kbt h THR 1860CO -0.07 0.45 0.05 -0.09 0.37 0.00 0.00 175.52 176.23 3kbt h ARG 1861N -0.07 0.16 -0.04 6.66 2.43 -1.32 -2.31 114.38 119.88 3kbt h ARG 1861Ca -0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3kbt h ARG 1861Cb 0.86 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3kbt h ARG 1861CO 0.06 0.10 -0.21 1.25 -1.51 0.00 0.00 179.97 179.66 3kbt h LEU 1862N 0.16 0.06 -0.48 3.80 5.85 -1.34 -3.06 115.31 120.31 3kbt h LEU 1862Ca 0.16 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3kbt h LEU 1862Cb 0.19 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3kbt h LEU 1862CO -0.23 0.28 0.26 -0.61 -0.34 0.00 0.00 178.44 177.80 3kbt h GLN 1863N 0.06 0.67 -0.76 1.25 4.15 -0.81 -2.70 115.11 116.96 3kbt h GLN 1863Ca 0.01 -0.08 0.17 0.00 0.77 0.00 0.00 58.65 59.52 3kbt h GLN 1863Cb 0.41 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.92 3kbt h GLN 1863CO 0.03 0.52 0.52 1.79 -1.93 0.00 0.00 178.83 179.76 3kbt h THR 1864N 0.63 0.74 0.00 2.39 1.35 -1.47 -2.56 112.91 114.00 3kbt h THR 1864Ca 0.17 -0.11 -0.13 0.00 -0.55 0.00 0.00 66.41 65.78 3kbt h THR 1864Cb 0.05 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 3kbt h THR 1864CO -0.03 0.06 -0.64 0.00 -0.25 0.00 0.00 175.52 174.67 3kbt h ALA 1865N 1.64 0.65 -1.88 6.62 0.00 -1.61 -3.47 119.26 121.21 3kbt h ALA 1865Ca 0.38 -0.58 -0.49 0.00 0.00 0.00 0.00 54.91 54.22 3kbt h ALA 1865Cb 1.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3kbt h ALA 1865CO -0.11 0.79 -0.45 0.71 0.00 0.00 0.00 179.25 180.20 3kbt s TYR 1866N -3.03 2.93 0.07 0.00 2.02 -0.96 -5.11 117.35 113.26 3kbt s TYR 1866Ca 0.02 -0.28 -0.10 0.00 -0.37 0.00 0.00 57.07 56.34 3kbt s TYR 1866Cb 0.09 -1.77 0.01 0.00 -0.40 0.00 0.00 41.96 39.89 3kbt s TYR 1866CO 0.76 0.21 0.23 0.00 -1.57 0.00 0.00 175.55 175.17 3kbt s ALA 1867N -2.28 -0.39 0.00 3.71 0.00 -1.26 -4.76 121.76 116.78 3kbt s ALA 1867Ca 0.40 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3kbt s ALA 1867Cb -0.06 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.47 3kbt s ALA 1867CO 0.27 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3kbt n GLY 1868N 0.24 1.58 0.07 0.00 0.00 -1.26 -3.97 105.19 101.85 3kbt n GLY 1868Ca -0.17 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 3kbt n GLY 1868CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kbt h GLU 1869N 0.00 -0.07 -0.77 1.61 3.07 -1.99 -2.49 114.58 113.93 3kbt h GLU 1869Ca 0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3kbt h GLU 1869Cb 0.00 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 3kbt h GLU 1869CO 0.00 -0.02 0.39 0.87 -1.40 0.00 0.00 179.01 178.85 3kbt h LYS 1870N -0.11 1.10 -0.33 2.33 1.79 -2.00 -1.56 116.57 117.79 3kbt h LYS 1870Ca -0.01 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.23 3kbt h LYS 1870Cb 0.09 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 3kbt h LYS 1870CO 0.01 0.84 -0.16 0.00 -1.08 0.00 0.00 179.45 179.06 3kbt h ALA 1871N 1.20 1.11 -0.11 3.86 0.00 -1.66 -2.68 119.26 120.98 3kbt h ALA 1871Ca 0.27 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3kbt h ALA 1871Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kbt h ALA 1871CO -0.04 0.55 -0.08 1.49 0.00 0.00 0.00 179.25 181.18 3kbt h GLU 1872N 0.54 0.25 -0.98 0.00 4.81 -1.22 -2.17 114.58 115.81 3kbt h GLU 1872Ca 0.09 -0.12 0.22 0.00 -0.13 0.00 0.00 59.36 59.42 3kbt h GLU 1872Cb 0.58 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.84 3kbt h GLU 1872CO 0.04 0.63 0.56 0.00 -0.73 0.00 0.00 179.01 179.51 3kbt h ALA 1873N 0.62 1.68 -0.50 2.92 0.00 -1.10 0.74 119.26 123.62 3kbt h ALA 1873Ca 0.02 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3kbt h ALA 1873Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kbt h ALA 1873CO 0.02 -0.21 0.23 0.82 0.00 0.00 0.00 179.25 180.11 3kbt h ILE 1874N 0.60 1.20 -0.27 0.00 2.04 -1.29 -1.75 117.51 118.03 3kbt h ILE 1874Ca 0.61 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.80 3kbt h ILE 1874Cb 1.09 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3kbt h ILE 1874CO -0.45 0.22 -0.23 -0.61 0.00 0.00 0.00 178.15 177.07 3kbt h GLN 1875N 0.66 0.64 -0.34 2.37 4.15 0.34 -2.13 115.11 120.80 3kbt h GLN 1875Ca 0.17 -0.32 0.05 0.00 0.77 0.00 0.00 58.65 59.32 3kbt h GLN 1875Cb 0.13 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.78 3kbt h GLN 1875CO -0.02 0.92 0.04 -0.91 -1.93 0.00 0.00 178.83 176.93 3kbt h ASN 1876N 0.37 -0.05 -0.11 -0.69 2.35 0.32 0.10 115.58 117.87 3kbt h ASN 1876Ca 0.05 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.78 3kbt h ASN 1876Cb 0.79 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3kbt h ASN 1876CO 0.06 0.01 -0.20 0.50 -1.65 0.00 0.00 177.43 176.15 3kbt h LYS 1877N 0.15 0.51 0.18 0.81 1.63 -1.34 0.63 116.57 119.13 3kbt h LYS 1877Ca 0.16 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 3kbt h LYS 1877Cb 0.20 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 3kbt h LYS 1877CO -0.24 0.68 -0.09 1.49 -3.45 0.00 0.00 179.45 177.85 3kbt h GLU 1878N 0.46 -0.23 -0.39 1.90 4.22 -0.64 -2.26 114.58 117.64 3kbt h GLU 1878Ca 0.07 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3kbt h GLU 1878Cb 0.60 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3kbt h GLU 1878CO 0.04 -0.01 0.26 1.96 -2.18 0.00 0.00 179.01 179.08 3kbt h GLN 1879N -0.42 0.52 -0.48 1.92 4.20 -0.66 -0.45 115.11 119.74 3kbt h GLN 1879Ca -0.02 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.75 3kbt h GLN 1879Cb 0.33 -0.12 -0.10 0.00 0.30 0.00 0.00 27.48 27.89 3kbt h GLN 1879CO 0.04 0.34 -0.21 1.49 -0.67 0.00 0.00 178.83 179.83 3kbt h GLU 1880N 0.53 -0.10 -0.35 1.46 4.81 -0.88 0.32 114.58 120.38 3kbt h GLU 1880Ca 0.14 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3kbt h GLU 1880Cb -0.06 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3kbt h GLU 1880CO -0.03 -0.07 0.21 0.28 -0.73 0.00 0.00 179.01 178.67 3kbt h VAL 1881N -0.10 1.05 -0.25 0.32 2.07 -1.02 -1.31 116.25 117.01 3kbt h VAL 1881Ca 0.23 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3kbt h VAL 1881Cb 0.45 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3kbt h VAL 1881CO -0.55 0.08 0.10 0.28 0.02 0.00 0.00 177.57 177.50 3kbt h SER 1882N 0.43 0.13 -0.33 0.57 0.02 0.27 -0.25 113.55 114.39 3kbt h SER 1882Ca 0.13 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3kbt h SER 1882Cb -0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3kbt h SER 1882CO -0.05 0.11 0.14 0.00 -1.14 0.00 0.00 176.83 175.89 3kbt h ALA 1883N 1.15 0.39 -0.64 3.77 0.00 -0.29 0.45 119.26 124.09 3kbt h ALA 1883Ca 0.11 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kbt h ALA 1883Cb 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kbt h ALA 1883CO -0.10 -0.24 0.42 0.00 0.00 0.00 0.00 179.25 179.33 3kbt h ALA 1884N 1.19 0.81 -0.46 0.00 0.00 -1.04 -2.05 119.26 117.72 3kbt h ALA 1884Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kbt h ALA 1884Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kbt h ALA 1884CO -0.12 0.23 0.27 2.35 0.00 0.00 0.00 179.25 181.98 3kbt h TRP 1885N 0.86 0.61 -0.50 0.00 2.91 -0.44 -2.82 115.95 116.56 3kbt h TRP 1885Ca 0.24 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 3kbt h TRP 1885Cb -0.09 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.34 3kbt h TRP 1885CO -0.03 0.43 0.31 1.96 -1.03 0.00 0.00 178.44 180.08 3kbt h GLN 1886N 0.61 0.67 -0.86 2.65 1.08 -0.72 -1.99 115.11 116.55 3kbt h GLN 1886Ca 0.16 -0.06 0.16 0.00 -1.45 0.00 0.00 58.65 57.47 3kbt h GLN 1886Cb 0.01 -0.14 -0.10 0.00 -0.05 0.00 0.00 27.48 27.19 3kbt h GLN 1886CO -0.03 0.48 0.43 0.00 -0.95 0.00 0.00 178.83 178.76 3kbt h ALA 1887N 1.15 1.31 0.29 3.87 0.00 -1.21 -2.19 119.26 122.48 3kbt h ALA 1887Ca 0.18 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3kbt h ALA 1887Cb -0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kbt h ALA 1887CO -0.04 -0.14 -0.14 1.25 0.00 0.00 0.00 179.25 180.19 3kbt h LEU 1888N 0.58 -0.33 0.00 0.00 6.46 -1.20 -3.52 115.31 117.31 3kbt h LEU 1888Ca 0.48 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 3kbt h LEU 1888Cb 0.73 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 3kbt h LEU 1888CO -0.39 -0.03 0.00 -0.11 -0.62 0.00 0.00 178.44 177.29