#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kg6 s ALA 1686N 0.00 2.78 0.23 5.20 0.00 -1.26 -4.99 121.76 123.71 3kg6 s ALA 1686Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 3kg6 s ALA 1686Cb 0.00 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 3kg6 s ALA 1686CO 0.00 -0.71 1.64 -1.58 0.00 0.00 0.00 175.76 175.11 3kg6 s HIS 1687N -2.39 2.88 0.40 0.00 2.46 -1.26 -4.89 115.29 112.49 3kg6 s HIS 1687Ca 0.64 0.57 0.09 0.00 0.47 0.00 0.00 55.06 56.82 3kg6 s HIS 1687Cb -0.16 -4.07 0.82 0.00 -0.13 0.00 0.00 32.58 29.04 3kg6 s HIS 1687CO 0.34 -3.86 1.97 -1.35 -2.47 0.00 0.00 174.74 169.37 3kg6 h PRO 1688N 6.04 0.33 0.03 2.88 0.11 -1.94 0.68 132.00 140.13 3kg6 h PRO 1688Ca -0.44 -0.05 -0.38 0.00 0.11 0.00 0.00 66.00 65.23 3kg6 h PRO 1688Cb 1.21 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 3kg6 h PRO 1688CO 0.89 0.36 -2.34 1.28 -0.21 0.00 0.00 178.00 177.98 3kg6 n LEU 1689N -4.35 2.57 -0.00 2.35 4.77 -1.26 -4.51 117.00 116.57 3kg6 n LEU 1689Ca 0.00 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3kg6 n LEU 1689Cb 0.19 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.39 3kg6 n LEU 1689CO 0.37 0.86 0.68 0.25 -1.33 0.00 0.00 177.39 178.22 3kg6 h LEU 1690N 0.02 -0.01 0.00 2.23 5.85 -1.90 -3.41 115.31 118.09 3kg6 h LEU 1690Ca -0.53 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 57.79 3kg6 h LEU 1690Cb 1.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.00 3kg6 h LEU 1690CO -0.03 0.39 0.00 0.61 -0.34 0.00 0.00 178.44 179.07 3kg6 n GLY 1691N -0.02 -0.62 3.81 3.75 0.00 0.23 -3.59 105.19 108.74 3kg6 n GLY 1691Ca -0.08 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 3kg6 n GLY 1691CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kg6 s GLU 1692N -1.03 3.69 0.30 1.61 2.02 -1.13 -4.54 118.70 119.63 3kg6 s GLU 1692Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 54.97 55.95 3kg6 s GLU 1692Cb 0.00 -2.08 -0.10 0.00 0.10 0.00 0.00 34.13 32.05 3kg6 s GLU 1692CO 0.00 -0.51 1.26 0.15 0.02 0.00 0.00 175.26 176.18 3kg6 s LYS 1693N -3.59 4.42 -0.36 1.61 1.02 -1.26 -1.18 119.74 120.40 3kg6 s LYS 1693Ca 0.65 2.10 -0.14 0.00 0.02 0.00 0.00 55.97 58.60 3kg6 s LYS 1693Cb -0.15 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 3kg6 s LYS 1693CO 0.26 -0.11 0.29 0.42 -0.92 0.00 0.00 175.35 175.30 3kg6 s ILE 1694N -0.97 5.24 -0.45 2.17 1.01 0.68 -4.91 121.20 123.97 3kg6 s ILE 1694Ca 0.49 -0.27 -0.29 0.00 0.00 0.00 0.00 60.65 60.58 3kg6 s ILE 1694Cb -0.38 -3.81 0.03 0.00 0.01 0.00 0.00 42.46 38.31 3kg6 s ILE 1694CO 0.48 -0.12 1.15 0.20 0.00 0.00 0.00 174.94 176.65 3kg6 s ASN 1695N 1.72 6.66 0.08 3.58 0.01 -1.26 -4.55 114.94 121.18 3kg6 s ASN 1695Ca 0.07 0.59 0.03 0.00 -0.71 0.00 0.00 52.86 52.85 3kg6 s ASN 1695Cb -0.18 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 3kg6 s ASN 1695CO 0.11 -1.21 0.05 -0.76 -1.51 0.00 0.00 177.10 173.78 3kg6 s LEU 1696N 4.40 3.70 -0.03 0.60 1.43 -1.26 -5.12 118.68 122.40 3kg6 s LEU 1696Ca 0.49 -0.06 -0.05 0.00 -1.03 0.00 0.00 54.13 53.48 3kg6 s LEU 1696Cb -0.08 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 3kg6 s LEU 1696CO 0.29 0.18 0.19 0.00 0.23 0.00 0.00 176.35 177.24 3kg6 s ALA 1697N -1.36 3.91 0.00 4.21 0.00 -1.26 -4.41 121.76 122.85 3kg6 s ALA 1697Ca 0.28 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3kg6 s ALA 1697Cb -0.12 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.05 3kg6 s ALA 1697CO 0.21 0.69 0.00 0.41 0.00 0.00 0.00 175.76 177.07 3kg6 n GLY 1698N 1.25 0.34 3.54 0.00 0.00 -1.26 -4.96 105.19 104.10 3kg6 n GLY 1698Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3kg6 n GLY 1698CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg6 s ILE 1699N -1.96 5.05 0.00 -0.61 -1.09 -1.26 -5.00 121.20 116.32 3kg6 s ILE 1699Ca 0.00 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 3kg6 s ILE 1699Cb 0.00 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3kg6 s ILE 1699CO 0.00 -0.25 0.03 -0.62 -1.23 0.00 0.00 174.94 172.86 3kg6 n GLU 1700N 5.68 0.00 -1.34 2.79 -0.58 -1.26 -4.59 120.64 121.33 3kg6 n GLU 1700Ca -0.06 0.46 -0.33 0.00 -0.42 0.00 0.00 57.16 56.82 3kg6 n GLU 1700Cb 0.49 -0.98 0.09 0.00 -0.57 0.00 0.00 31.44 30.47 3kg6 n GLU 1700CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3kg6 n ASP 1701N -1.89 7.09 -3.97 1.62 8.00 -1.26 -4.92 116.55 121.22 3kg6 n ASP 1701Ca 0.00 -3.77 -0.11 0.00 0.71 0.00 0.00 54.79 51.62 3kg6 n ASP 1701Cb 0.00 -0.93 -0.12 0.00 -0.02 0.00 0.00 41.12 40.05 3kg6 n ASP 1701CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3kg6 s GLN 1702N -3.75 0.30 0.09 -1.24 -0.21 -1.26 -0.90 119.66 112.69 3kg6 s GLN 1702Ca 0.63 -0.45 0.10 0.00 0.02 0.00 0.00 55.36 55.66 3kg6 s GLN 1702Cb 0.50 -0.07 -0.03 0.00 1.00 0.00 0.00 33.01 34.41 3kg6 s GLN 1702CO 0.01 0.00 -0.25 -1.01 -2.12 0.00 0.00 175.29 171.92 3kg6 s HIS 1703N -0.94 2.16 -0.08 0.91 3.76 -0.14 -4.99 115.29 115.98 3kg6 s HIS 1703Ca -0.09 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.40 3kg6 s HIS 1703Cb -0.07 -1.22 0.04 0.00 1.11 0.00 0.00 32.58 32.45 3kg6 s HIS 1703CO -0.00 0.23 0.16 0.50 -0.85 0.00 0.00 174.74 174.78 3kg6 s ARG 1704N -1.70 0.08 0.24 1.40 3.52 -1.26 -0.43 118.95 120.80 3kg6 s ARG 1704Ca 0.11 0.47 0.11 0.00 -0.13 0.00 0.00 55.73 56.29 3kg6 s ARG 1704Cb -0.10 -0.20 -0.05 0.00 -1.56 0.00 0.00 34.95 33.04 3kg6 s ARG 1704CO 0.04 -0.22 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.06 3kg6 s PHE 1705N 1.63 2.35 -0.09 5.12 0.08 -0.31 -0.23 117.98 126.52 3kg6 s PHE 1705Ca -0.04 -0.33 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 3kg6 s PHE 1705Cb -0.12 -1.08 0.05 0.00 -0.57 0.00 0.00 43.02 41.31 3kg6 s PHE 1705CO -0.06 0.62 0.19 -1.14 -0.10 0.00 0.00 175.22 174.73 3kg6 s GLN 1706N -3.18 0.09 0.35 0.44 0.74 -0.32 -1.18 119.66 116.60 3kg6 s GLN 1706Ca 0.27 0.57 0.09 0.00 0.05 0.00 0.00 55.36 56.33 3kg6 s GLN 1706Cb -0.06 -0.18 -0.06 0.00 1.10 0.00 0.00 33.01 33.81 3kg6 s GLN 1706CO 0.14 -0.26 -0.01 -1.54 -0.55 0.00 0.00 175.29 173.07 3kg6 s SER 1707N 1.99 4.04 -0.18 6.67 1.04 0.18 -2.82 113.70 124.62 3kg6 s SER 1707Ca -0.01 -1.08 -0.00 0.00 0.48 0.00 0.00 55.95 55.33 3kg6 s SER 1707Cb -0.12 -0.47 0.04 0.00 0.10 0.00 0.00 66.02 65.58 3kg6 s SER 1707CO -0.07 -0.26 -0.06 -0.31 0.98 0.00 0.00 173.24 173.52 3kg6 s TYR 1708N -2.56 1.89 -0.06 5.02 2.02 -1.26 -0.72 117.35 121.68 3kg6 s TYR 1708Ca 0.34 -1.25 0.05 0.00 -0.37 0.00 0.00 57.07 55.85 3kg6 s TYR 1708Cb 0.02 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3kg6 s TYR 1708CO 0.19 -0.66 -0.23 0.96 -1.57 0.00 0.00 175.55 174.23 3kg6 s ILE 1709N 1.57 2.20 0.44 2.71 -4.36 -0.13 -4.85 121.20 118.78 3kg6 s ILE 1709Ca -0.00 -1.01 0.03 0.00 -0.26 0.00 0.00 60.65 59.41 3kg6 s ILE 1709Cb -0.16 -1.81 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 3kg6 s ILE 1709CO -0.08 0.57 0.05 -0.83 0.24 0.00 0.00 174.94 174.89 3kg6 s GLY 1710N -0.16 2.67 0.54 6.27 0.00 -0.26 0.01 107.32 116.40 3kg6 s GLY 1710Ca -0.03 -1.23 0.29 0.00 0.00 0.00 0.00 44.72 43.75 3kg6 s GLY 1710CO 0.04 -2.02 2.12 0.00 0.00 0.00 0.00 173.10 173.24 3kg6 h ALA 1711N 1.67 1.31 -0.14 3.20 0.00 -1.85 -2.44 119.26 121.02 3kg6 h ALA 1711Ca -0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kg6 h ALA 1711Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kg6 h ALA 1711CO 0.70 0.11 0.00 0.39 0.00 0.00 0.00 179.25 180.45 3kg6 n GLU 1712N -3.64 1.69 -3.41 0.00 1.02 -1.26 -2.30 120.64 112.74 3kg6 n GLU 1712Ca -0.02 -1.70 -0.15 0.00 -0.02 0.00 0.00 57.16 55.27 3kg6 n GLU 1712Cb 0.20 -1.35 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 3kg6 n GLU 1712CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kg6 s SER 1713N -1.32 1.11 0.58 1.62 1.04 -0.92 -2.81 113.70 113.00 3kg6 s SER 1713Ca 0.23 -0.31 -0.19 0.00 0.48 0.00 0.00 55.95 56.16 3kg6 s SER 1713Cb 0.15 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.90 3kg6 s SER 1713CO 0.22 -0.34 1.18 -2.16 0.98 0.00 0.00 173.24 173.11 3kg6 s PRO 1714N 2.41 3.11 0.44 4.02 0.04 -1.26 -1.10 135.00 142.66 3kg6 s PRO 1714Ca 0.10 1.74 0.16 0.00 0.04 0.00 0.00 61.00 63.04 3kg6 s PRO 1714Cb -0.15 -1.96 1.08 0.00 0.04 0.00 0.00 34.50 33.51 3kg6 s PRO 1714CO -0.22 -1.08 1.96 0.78 0.04 0.00 0.00 177.00 178.48 3kg6 h GLY 1715N 0.98 0.56 2.00 0.56 0.00 -1.76 -2.73 103.07 102.67 3kg6 h GLY 1715Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3kg6 h GLY 1715CO 0.56 0.08 0.00 0.10 0.00 0.00 0.00 176.54 177.27 3kg6 h TYR 1716N 0.37 0.00 -0.20 5.60 -0.00 -1.89 -2.97 116.97 117.88 3kg6 h TYR 1716Ca 0.31 0.00 0.05 0.00 -0.00 0.00 0.00 58.73 59.09 3kg6 h TYR 1716Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.42 3kg6 h TYR 1716CO -0.00 0.00 0.14 -0.07 -0.00 0.00 0.00 178.16 178.23 3kg6 h LEU 1717N 0.00 0.03 -1.76 0.10 3.38 -1.66 -0.40 115.31 115.00 3kg6 h LEU 1717Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kg6 h LEU 1717Cb 0.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kg6 h LEU 1717CO 0.00 0.02 0.00 -1.13 0.09 0.00 0.00 178.44 177.42 3kg6 h ASN 1718N 0.03 0.00 -0.10 -0.43 -1.24 -1.28 -2.56 115.58 110.00 3kg6 h ASN 1718Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3kg6 h ASN 1718Cb 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.38 3kg6 h ASN 1718CO -0.00 0.00 0.00 1.41 -1.29 0.00 0.00 177.43 177.55 3kg6 n HIS 1719N -2.86 0.13 -3.89 0.67 8.25 -0.16 -4.39 115.22 112.98 3kg6 n HIS 1719Ca -0.00 -0.06 -0.28 0.00 -0.26 0.00 0.00 57.72 57.11 3kg6 n HIS 1719Cb 0.20 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.19 3kg6 n HIS 1719CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3kg6 s HIS 1720N -1.87 3.43 -0.16 4.41 5.65 -0.96 0.23 115.29 126.01 3kg6 s HIS 1720Ca 0.33 -3.28 -0.04 0.00 0.25 0.00 0.00 55.06 52.32 3kg6 s HIS 1720Cb 0.18 -2.65 -0.03 0.00 -1.18 0.00 0.00 32.58 28.90 3kg6 s HIS 1720CO 0.27 -0.58 -0.02 -0.65 -0.65 0.00 0.00 174.74 173.11 3kg6 s GLN 1721N -1.27 3.72 -0.19 2.88 -0.21 -1.09 -2.50 119.66 121.01 3kg6 s GLN 1721Ca 0.24 -0.49 0.01 0.00 0.02 0.00 0.00 55.36 55.14 3kg6 s GLN 1721Cb -0.07 -2.96 0.03 0.00 1.00 0.00 0.00 33.01 31.01 3kg6 s GLN 1721CO -0.15 0.25 -0.15 0.08 -2.12 0.00 0.00 175.29 173.20 3kg6 s VAL 1722N 0.36 1.86 -1.51 1.09 1.01 0.19 -0.67 120.40 122.73 3kg6 s VAL 1722Ca -0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.86 3kg6 s VAL 1722Cb -0.14 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.53 3kg6 s VAL 1722CO 0.03 0.37 0.96 0.49 0.00 0.00 0.00 175.10 176.94 3kg6 n PHE 1723N 4.65 -2.28 -1.00 5.22 3.01 0.28 -2.23 117.46 125.12 3kg6 n PHE 1723Ca -0.18 0.90 -0.00 0.00 1.01 0.00 0.00 57.45 59.18 3kg6 n PHE 1723Cb 0.48 -4.04 -0.00 0.00 -0.01 0.00 0.00 39.48 35.91 3kg6 n PHE 1723CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kg6 n GLY 1724N -1.69 0.40 3.30 1.37 0.00 -1.26 -5.02 105.19 102.29 3kg6 n GLY 1724Ca 0.01 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3kg6 n GLY 1724CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg6 s LYS 1725N -0.41 1.56 -0.25 1.61 1.02 -0.95 -5.10 119.74 117.22 3kg6 s LYS 1725Ca 0.00 -1.04 -0.29 0.00 0.02 0.00 0.00 55.97 54.66 3kg6 s LYS 1725Cb 0.00 -1.72 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3kg6 s LYS 1725CO 0.00 0.44 1.41 0.08 -0.92 0.00 0.00 175.35 176.36 3kg6 s VAL 1726N -0.82 3.99 -0.11 3.17 1.01 -1.26 -0.64 120.40 125.75 3kg6 s VAL 1726Ca 0.10 1.14 0.01 0.00 0.00 0.00 0.00 61.98 63.22 3kg6 s VAL 1726Cb -0.09 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3kg6 s VAL 1726CO 0.02 -0.36 -0.14 -0.76 0.00 0.00 0.00 175.10 173.87 3kg6 s LEU 1727N 4.52 2.72 0.12 3.92 1.43 -1.04 -0.73 118.68 129.61 3kg6 s LEU 1727Ca 0.61 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.11 3kg6 s LEU 1727Cb -0.20 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 3kg6 s LEU 1727CO 0.24 0.22 1.60 0.12 0.23 0.00 0.00 176.35 178.76 3kg6 s PHE 1728N 0.03 2.78 0.40 0.29 5.36 -0.31 -4.82 117.98 121.71 3kg6 s PHE 1728Ca -0.04 0.51 -0.24 0.00 -0.96 0.00 0.00 56.93 56.19 3kg6 s PHE 1728Cb -0.14 -3.93 -0.09 0.00 -0.34 0.00 0.00 43.02 38.51 3kg6 s PHE 1728CO 0.04 -3.56 1.02 -1.25 -1.46 0.00 0.00 175.22 170.01 3kg6 s PRO 1729N 1.84 4.21 0.36 10.12 0.04 -1.26 -4.58 135.00 145.72 3kg6 s PRO 1729Ca 0.71 1.41 0.10 0.00 0.04 0.00 0.00 61.00 63.27 3kg6 s PRO 1729Cb -0.41 -2.50 0.85 0.00 0.04 0.00 0.00 34.50 32.48 3kg6 s PRO 1729CO 0.32 -0.08 1.85 0.77 0.04 0.00 0.00 177.00 179.89 3kg6 h SER 1730N 2.45 0.64 0.01 6.66 0.02 -1.94 0.78 113.55 122.16 3kg6 h SER 1730Ca -0.48 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3kg6 h SER 1730Cb 1.21 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 3kg6 h SER 1730CO 0.62 0.29 -0.00 0.71 -1.14 0.00 0.00 176.83 177.31 3kg6 h THR 1731N 0.66 0.65 -0.63 -2.27 1.35 -1.92 -0.82 112.91 109.93 3kg6 h THR 1731Ca 0.48 -0.01 -0.05 0.00 -0.55 0.00 0.00 66.41 66.28 3kg6 h THR 1731Cb 0.84 1.01 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 3kg6 h THR 1731CO -0.23 0.00 0.21 1.23 -0.25 0.00 0.00 175.52 176.47 3kg6 h GLY 1732N 0.01 1.01 1.03 5.82 0.00 -1.14 -1.14 103.07 108.67 3kg6 h GLY 1732Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 3kg6 h GLY 1732CO 0.00 0.53 -0.19 -0.97 0.00 0.00 0.00 176.54 175.91 3kg6 h TYR 1733N 0.92 0.98 -0.34 5.60 0.05 -1.20 -0.93 116.97 122.05 3kg6 h TYR 1733Ca 0.21 -0.24 0.01 0.00 0.05 0.00 0.00 58.73 58.75 3kg6 h TYR 1733Cb 0.25 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3kg6 h TYR 1733CO 0.02 1.01 0.22 -0.07 -1.05 0.00 0.00 178.16 178.29 3kg6 h LEU 1734N 0.67 0.37 -0.67 3.88 3.38 -1.33 -1.46 115.31 120.16 3kg6 h LEU 1734Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3kg6 h LEU 1734Cb 0.75 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3kg6 h LEU 1734CO 0.06 0.27 0.41 -0.08 0.09 0.00 0.00 178.44 179.19 3kg6 h GLU 1735N 0.45 0.90 -0.34 1.13 4.57 -1.07 0.10 114.58 120.32 3kg6 h GLU 1735Ca 0.13 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.26 3kg6 h GLU 1735Cb -0.04 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.33 3kg6 h GLU 1735CO -0.04 0.64 0.15 0.82 -1.18 0.00 0.00 179.01 179.40 3kg6 h ILE 1736N 0.91 0.95 -0.08 2.32 2.04 -0.99 0.85 117.51 123.50 3kg6 h ILE 1736Ca 0.24 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 3kg6 h ILE 1736Cb -0.04 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 3kg6 h ILE 1736CO -0.05 0.06 0.04 0.00 0.00 0.00 0.00 178.15 178.21 3kg6 h ALA 1737N 1.20 0.11 -0.97 1.87 0.00 -0.89 -0.75 119.26 119.83 3kg6 h ALA 1737Ca 0.15 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3kg6 h ALA 1737Cb 0.09 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3kg6 h ALA 1737CO -0.13 -0.35 0.62 0.00 0.00 0.00 0.00 179.25 179.40 3kg6 h ALA 1738N 0.94 1.49 -0.38 0.00 0.00 -0.60 -1.04 119.26 119.67 3kg6 h ALA 1738Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3kg6 h ALA 1738Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3kg6 h ALA 1738CO -0.00 0.34 -0.12 0.77 0.00 0.00 0.00 179.25 180.23 3kg6 h SER 1739N 1.06 0.76 -0.42 0.00 0.02 -0.49 -1.68 113.55 112.80 3kg6 h SER 1739Ca 0.43 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3kg6 h SER 1739Cb 0.28 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3kg6 h SER 1739CO -0.19 0.96 0.24 0.00 -1.14 0.00 0.00 176.83 176.71 3kg6 h ALA 1740N 0.82 0.53 -0.41 3.77 0.00 -0.72 -1.91 119.26 121.34 3kg6 h ALA 1740Ca 0.09 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kg6 h ALA 1740Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3kg6 h ALA 1740CO 0.04 -0.10 0.28 0.78 0.00 0.00 0.00 179.25 180.25 3kg6 h GLY 1741N 0.48 0.56 2.00 0.00 0.00 -1.09 -0.72 103.07 104.30 3kg6 h GLY 1741Ca 0.17 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 3kg6 h GLY 1741CO -0.09 0.19 -0.55 1.70 0.00 0.00 0.00 176.54 177.79 3kg6 h LYS 1742N 0.52 0.00 0.07 4.80 3.11 -0.68 0.04 116.57 124.44 3kg6 h LYS 1742Ca 0.16 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.73 3kg6 h LYS 1742Cb -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 3kg6 h LYS 1742CO -0.04 0.55 -1.33 0.77 -2.81 0.00 0.00 179.45 176.60 3kg6 h SER 1743N 0.00 0.24 0.44 4.20 0.02 -0.60 -3.38 113.55 114.47 3kg6 h SER 1743Ca -0.01 -0.30 -0.31 0.00 -0.84 0.00 0.00 61.79 60.34 3kg6 h SER 1743Cb 1.05 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3kg6 h SER 1743CO 0.07 1.24 -1.57 -0.07 -1.14 0.00 0.00 176.83 175.36 3kg6 h LEU 1744N 0.04 0.35 -7.96 5.07 4.07 -1.13 -3.43 115.31 112.32 3kg6 h LEU 1744Ca -0.15 -0.51 -0.67 0.00 0.08 0.00 0.00 57.88 56.62 3kg6 h LEU 1744Cb 1.93 -0.11 -0.36 0.00 1.08 0.00 0.00 40.66 43.20 3kg6 h LEU 1744CO 0.15 1.43 -0.81 -0.36 -1.08 0.00 0.00 178.44 177.78 3kg6 s PHE 1745N -2.61 3.12 -2.03 1.13 0.08 -0.00 -4.95 117.98 112.71 3kg6 s PHE 1745Ca -0.09 -2.04 0.17 0.00 0.12 0.00 0.00 56.93 55.09 3kg6 s PHE 1745Cb 0.07 -1.95 0.22 0.00 -0.57 0.00 0.00 43.02 40.79 3kg6 s PHE 1745CO 0.84 -0.84 1.13 2.41 -0.10 0.00 0.00 175.22 178.67 3kg6 n THR 1746N 4.52 0.22 -0.84 0.64 -1.04 -1.26 -4.38 114.28 112.14 3kg6 n THR 1746Ca -0.16 -0.61 -0.29 0.00 -2.04 0.00 0.00 64.05 60.95 3kg6 n THR 1746Cb 0.45 1.17 0.20 0.00 -1.82 0.00 0.00 70.33 70.33 3kg6 n THR 1746CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3kg6 s SER 1747N -1.36 2.16 0.00 8.00 0.01 -1.26 -4.87 113.70 116.38 3kg6 s SER 1747Ca 0.24 1.56 0.10 0.00 1.31 0.00 0.00 55.95 59.17 3kg6 s SER 1747Cb 0.16 -2.24 0.49 0.00 0.21 0.00 0.00 66.02 64.63 3kg6 s SER 1747CO 0.23 -3.47 1.27 0.00 0.41 0.00 0.00 173.24 171.68 3kg6 n GLN 1748N -4.44 0.08 -1.70 12.44 1.13 -1.26 -4.82 117.38 118.81 3kg6 n GLN 1748Ca 0.06 0.25 -0.35 0.00 -1.94 0.00 0.00 57.00 55.01 3kg6 n GLN 1748Cb 0.55 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 29.46 3kg6 n GLN 1748CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3kg6 s GLU 1749N -2.77 2.53 -0.24 -1.09 2.02 -1.26 -4.65 118.70 113.24 3kg6 s GLU 1749Ca 0.08 1.84 -0.24 0.00 0.02 0.00 0.00 54.97 56.67 3kg6 s GLU 1749Cb 0.07 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.42 3kg6 s GLU 1749CO 0.17 -1.56 0.82 -1.14 0.02 0.00 0.00 175.26 173.57 3kg6 s GLN 1750N -3.60 4.18 0.14 1.61 2.00 -0.60 -4.92 119.66 118.47 3kg6 s GLN 1750Ca 0.77 0.92 -0.30 0.00 -2.00 0.00 0.00 55.36 54.75 3kg6 s GLN 1750Cb -0.31 -3.65 -0.07 0.00 0.80 0.00 0.00 33.01 29.79 3kg6 s GLN 1750CO 0.40 -0.51 0.98 0.08 -0.50 0.00 0.00 175.29 175.73 3kg6 s VAL 1751N 2.83 4.33 -0.09 1.34 1.01 -1.26 -1.23 120.40 127.32 3kg6 s VAL 1751Ca 0.34 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.35 3kg6 s VAL 1751Cb -0.15 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.96 3kg6 s VAL 1751CO 0.07 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.67 3kg6 s VAL 1752N -0.22 1.47 -0.20 2.92 1.01 0.50 -4.48 120.40 121.40 3kg6 s VAL 1752Ca 0.46 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 3kg6 s VAL 1752Cb -0.25 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3kg6 s VAL 1752CO 0.31 0.43 0.07 -0.69 0.00 0.00 0.00 175.10 175.22 3kg6 s VAL 1753N 0.75 4.78 0.24 2.92 1.01 -0.74 -1.45 120.40 127.91 3kg6 s VAL 1753Ca -0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 3kg6 s VAL 1753Cb -0.16 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3kg6 s VAL 1753CO 0.02 0.43 0.24 -0.94 0.00 0.00 0.00 175.10 174.85 3kg6 s SER 1754N 0.60 0.45 -1.63 3.32 1.04 0.03 0.85 113.70 118.36 3kg6 s SER 1754Ca 0.04 -1.39 -0.17 0.00 0.48 0.00 0.00 55.95 54.90 3kg6 s SER 1754Cb -0.13 0.47 0.14 0.00 0.10 0.00 0.00 66.02 66.59 3kg6 s SER 1754CO 0.01 -0.96 0.82 0.47 0.98 0.00 0.00 173.24 174.56 3kg6 n ASP 1755N -0.61 -3.79 -4.69 7.02 8.00 -0.26 -0.71 116.55 121.51 3kg6 n ASP 1755Ca 0.02 -0.90 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 3kg6 n ASP 1755Cb 0.64 -3.08 -0.03 0.00 -0.02 0.00 0.00 41.12 38.64 3kg6 n ASP 1755CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kg6 s VAL 1756N -3.25 4.79 -0.24 2.53 1.01 -0.25 -4.25 120.40 120.74 3kg6 s VAL 1756Ca 0.70 2.04 -0.07 0.00 0.00 0.00 0.00 61.98 64.66 3kg6 s VAL 1756Cb -0.38 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3kg6 s VAL 1756CO 0.87 0.03 0.05 -1.81 0.00 0.00 0.00 175.10 174.24 3kg6 s ASP 1757N 1.09 5.05 -0.45 3.32 1.01 0.14 -1.76 116.67 125.08 3kg6 s ASP 1757Ca 0.49 -0.21 -0.20 0.00 0.71 0.00 0.00 52.55 53.34 3kg6 s ASP 1757Cb -0.19 -1.90 0.03 0.00 1.01 0.00 0.00 42.92 41.87 3kg6 s ASP 1757CO 0.19 -0.01 0.62 -0.63 0.21 0.00 0.00 175.17 175.54 3kg6 s ILE 1758N 1.49 4.86 -0.23 0.77 -1.09 0.41 -1.49 121.20 125.92 3kg6 s ILE 1758Ca 0.06 -0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.37 3kg6 s ILE 1758Cb -0.15 -4.20 -0.18 0.00 -1.58 0.00 0.00 42.46 36.35 3kg6 s ILE 1758CO 0.03 -0.61 -0.09 0.18 -1.23 0.00 0.00 174.94 173.22 3kg6 n LEU 1759N 6.18 2.50 -3.73 2.97 4.77 0.22 -4.71 117.00 125.19 3kg6 n LEU 1759Ca -0.03 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3kg6 n LEU 1759Cb 0.47 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 3kg6 n LEU 1759CO 0.53 0.75 0.09 -1.58 -1.33 0.00 0.00 177.39 175.84 3kg6 s GLN 1760N -2.51 0.48 0.24 3.23 0.74 -1.11 -5.04 119.66 115.70 3kg6 s GLN 1760Ca -0.33 0.59 -0.31 0.00 0.05 0.00 0.00 55.36 55.36 3kg6 s GLN 1760Cb 0.10 0.23 -0.12 0.00 1.10 0.00 0.00 33.01 34.32 3kg6 s GLN 1760CO 0.60 -0.06 1.66 -1.12 -0.55 0.00 0.00 175.29 175.82 3kg6 s SER 1761N 0.27 6.39 -0.47 6.67 0.01 -1.26 -4.68 113.70 120.63 3kg6 s SER 1761Ca -0.00 2.89 -0.20 0.00 1.31 0.00 0.00 55.95 59.94 3kg6 s SER 1761Cb -0.03 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.62 3kg6 s SER 1761CO -0.00 -0.94 0.66 -0.22 0.41 0.00 0.00 173.24 173.15 3kg6 s LEU 1762N 0.43 4.63 -0.03 2.44 0.20 -1.26 -5.02 118.68 120.06 3kg6 s LEU 1762Ca 0.69 -0.54 -0.22 0.00 0.69 0.00 0.00 54.13 54.75 3kg6 s LEU 1762Cb -0.48 -2.63 -0.05 0.00 -0.43 0.00 0.00 46.19 42.60 3kg6 s LEU 1762CO 0.39 -0.85 0.66 -0.69 -0.29 0.00 0.00 176.35 175.57 3kg6 s VAL 1763N 2.84 4.96 -0.41 1.68 1.01 -1.26 -1.16 120.40 128.05 3kg6 s VAL 1763Ca 0.20 1.37 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 3kg6 s VAL 1763Cb -0.16 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.31 3kg6 s VAL 1763CO 0.17 0.33 0.23 -0.63 0.00 0.00 0.00 175.10 175.20 3kg6 s ILE 1764N 0.32 3.89 0.77 2.22 1.01 0.09 -4.99 121.20 124.53 3kg6 s ILE 1764Ca 0.35 -1.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 3kg6 s ILE 1764Cb -0.18 -3.45 0.06 0.00 0.01 0.00 0.00 42.46 38.90 3kg6 s ILE 1764CO 0.18 -0.54 1.16 -2.84 0.00 0.00 0.00 174.94 172.90 3kg6 s PRO 1765N 1.34 1.95 0.07 2.79 0.02 -1.26 -4.18 135.00 135.72 3kg6 s PRO 1765Ca 0.04 1.58 -0.14 0.00 0.02 0.00 0.00 61.00 62.49 3kg6 s PRO 1765Cb -0.23 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.43 3kg6 s PRO 1765CO 0.00 -1.94 1.18 0.39 -0.33 0.00 0.00 177.00 176.29 3kg6 n GLU 1766N -3.18 -0.20 -0.27 5.54 1.02 -1.26 -2.54 120.64 119.73 3kg6 n GLU 1766Ca 0.12 1.16 0.10 0.00 -0.02 0.00 0.00 57.16 58.52 3kg6 n GLU 1766Cb 0.51 -1.72 0.25 0.00 -0.02 0.00 0.00 31.44 30.46 3kg6 n GLU 1766CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3kg6 n THR 1767N -4.03 0.91 -4.09 2.62 -2.24 -1.26 -4.73 114.28 101.45 3kg6 n THR 1767Ca 0.01 -0.96 -0.29 0.00 -2.27 0.00 0.00 64.05 60.54 3kg6 n THR 1767Cb 0.12 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 68.86 3kg6 n THR 1767CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3kg6 s GLU 1768N -1.05 2.75 -0.19 -0.78 2.02 -1.05 -5.10 118.70 115.29 3kg6 s GLU 1768Ca 0.38 -0.82 -0.07 0.00 0.02 0.00 0.00 54.97 54.48 3kg6 s GLU 1768Cb 0.20 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 3kg6 s GLU 1768CO 0.27 0.53 0.05 0.42 0.02 0.00 0.00 175.26 176.54 3kg6 s ILE 1769N -1.50 4.57 -0.05 -1.63 -1.09 -1.26 -4.56 121.20 115.69 3kg6 s ILE 1769Ca 0.29 -0.11 -0.16 0.00 -2.23 0.00 0.00 60.65 58.43 3kg6 s ILE 1769Cb -0.11 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 3kg6 s ILE 1769CO 0.21 0.44 0.44 -0.54 -1.23 0.00 0.00 174.94 174.27 3kg6 s LYS 1770N 0.58 4.13 -0.21 2.79 -0.14 0.10 -4.91 119.74 122.10 3kg6 s LYS 1770Ca 0.02 0.44 -0.20 0.00 -1.36 0.00 0.00 55.97 54.88 3kg6 s LYS 1770Cb -0.13 -3.32 -0.03 0.00 -1.68 0.00 0.00 37.83 32.67 3kg6 s LYS 1770CO 0.01 0.45 0.57 0.99 -0.76 0.00 0.00 175.35 176.62 3kg6 s THR 1771N -0.32 5.06 -0.20 2.17 2.01 -1.26 -0.95 115.64 122.14 3kg6 s THR 1771Ca 0.25 1.06 -0.02 0.00 0.31 0.00 0.00 61.69 63.29 3kg6 s THR 1771Cb -0.16 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.46 3kg6 s THR 1771CO 0.12 0.13 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.39 3kg6 s VAL 1772N 1.85 2.90 -0.18 3.82 1.01 0.11 -4.11 120.40 125.79 3kg6 s VAL 1772Ca 0.26 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.58 3kg6 s VAL 1772Cb -0.16 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3kg6 s VAL 1772CO 0.10 0.47 -0.15 -1.58 0.00 0.00 0.00 175.10 173.93 3kg6 s GLN 1773N 1.38 3.14 -0.20 2.72 0.74 0.20 -0.65 119.66 126.99 3kg6 s GLN 1773Ca 0.05 -0.76 -0.07 0.00 0.05 0.00 0.00 55.36 54.62 3kg6 s GLN 1773Cb -0.14 -2.68 -0.04 0.00 1.10 0.00 0.00 33.01 31.25 3kg6 s GLN 1773CO -0.06 -0.14 0.07 0.99 -0.55 0.00 0.00 175.29 175.59 3kg6 s THR 1774N 1.20 4.66 -0.19 -0.34 2.01 -0.32 -0.50 115.64 122.15 3kg6 s THR 1774Ca 0.02 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 3kg6 s THR 1774Cb -0.14 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 3kg6 s THR 1774CO -0.07 0.42 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.52 3kg6 s VAL 1775N 0.75 3.33 -0.32 3.82 1.01 0.26 -1.16 120.40 128.08 3kg6 s VAL 1775Ca 0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 3kg6 s VAL 1775Cb -0.13 -2.48 0.07 0.00 0.00 0.00 0.00 36.38 33.84 3kg6 s VAL 1775CO 0.02 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.92 3kg6 s VAL 1776N 1.05 2.80 -0.14 2.92 1.01 0.43 -0.42 120.40 128.04 3kg6 s VAL 1776Ca 0.00 -1.73 -0.06 0.00 0.00 0.00 0.00 61.98 60.20 3kg6 s VAL 1776Cb -0.15 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3kg6 s VAL 1776CO -0.01 -0.30 0.05 -0.44 0.00 0.00 0.00 175.10 174.41 3kg6 s SER 1777N 1.29 5.61 -0.12 3.32 0.01 0.21 -0.96 113.70 123.06 3kg6 s SER 1777Ca -0.00 0.16 -0.29 0.00 1.31 0.00 0.00 55.95 57.12 3kg6 s SER 1777Cb -0.20 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 3kg6 s SER 1777CO -0.03 0.27 1.65 0.12 0.41 0.00 0.00 173.24 175.66 3kg6 s PHE 1778N -0.22 2.02 -0.24 2.43 5.36 -0.08 0.15 117.98 127.39 3kg6 s PHE 1778Ca 0.08 0.35 -0.07 0.00 -0.96 0.00 0.00 56.93 56.33 3kg6 s PHE 1778Cb -0.12 -3.93 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 3kg6 s PHE 1778CO 0.01 -3.48 0.06 0.00 -1.46 0.00 0.00 175.22 170.35 3kg6 s ALA 1779N 4.59 3.12 0.00 11.12 0.00 0.18 -4.88 121.76 135.89 3kg6 s ALA 1779Ca 0.73 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3kg6 s ALA 1779Cb -0.30 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3kg6 s ALA 1779CO 0.29 -0.46 0.00 -0.85 0.00 0.00 0.00 175.76 174.74 3kg6 n GLU 1780N 4.87 0.00 -1.32 0.00 0.00 -1.26 -2.45 120.64 120.48 3kg6 n GLU 1780Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.67 3kg6 n GLU 1780Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.90 3kg6 n GLU 1780CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3kg6 n ASN 1781N -0.86 7.90 -4.00 -1.84 6.94 -1.26 -4.59 115.26 117.55 3kg6 n ASN 1781Ca 0.00 -2.63 -0.31 0.00 -0.02 0.00 0.00 54.58 51.62 3kg6 n ASN 1781Cb 0.00 -1.50 -0.02 0.00 -2.36 0.00 0.00 39.78 35.90 3kg6 n ASN 1781CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3kg6 n ASN 1782N 3.08 -1.55 -4.01 0.53 5.15 -1.22 -4.98 115.26 112.26 3kg6 n ASN 1782Ca 0.69 -1.11 -0.09 0.00 -0.60 0.00 0.00 54.58 53.47 3kg6 n ASN 1782Cb 0.39 -2.60 -0.08 0.00 -0.53 0.00 0.00 39.78 36.95 3kg6 n ASN 1782CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kg6 s SER 1783N -4.08 0.22 -0.01 1.20 1.04 -1.02 -4.54 113.70 106.50 3kg6 s SER 1783Ca 0.16 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 55.71 3kg6 s SER 1783Cb -0.07 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 3kg6 s SER 1783CO 0.92 -0.76 -0.18 -0.31 0.98 0.00 0.00 173.24 173.89 3kg6 s TYR 1784N -3.96 1.62 -0.08 5.02 1.51 0.17 0.47 117.35 122.11 3kg6 s TYR 1784Ca 0.15 -0.31 -0.23 0.00 -1.01 0.00 0.00 57.07 55.67 3kg6 s TYR 1784Cb 0.06 -1.04 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 3kg6 s TYR 1784CO -0.04 -0.03 0.70 0.21 -1.11 0.00 0.00 175.55 175.29 3kg6 s LYS 1785N -0.44 4.41 -0.03 -0.62 2.20 0.12 -0.49 119.74 124.89 3kg6 s LYS 1785Ca 0.07 0.86 0.01 0.00 -0.36 0.00 0.00 55.97 56.55 3kg6 s LYS 1785Cb -0.07 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 3kg6 s LYS 1785CO -0.01 0.02 -0.01 -0.59 -0.36 0.00 0.00 175.35 174.41 3kg6 s PHE 1786N 0.96 3.08 -0.03 4.03 -0.71 -0.00 0.66 117.98 125.97 3kg6 s PHE 1786Ca 0.37 0.10 0.01 0.00 -1.04 0.00 0.00 56.93 56.37 3kg6 s PHE 1786Cb -0.17 -1.70 0.01 0.00 -1.21 0.00 0.00 43.02 39.95 3kg6 s PHE 1786CO 0.17 0.45 -0.05 -1.21 -1.34 0.00 0.00 175.22 173.24 3kg6 s GLU 1787N -1.30 0.66 -0.21 1.99 2.02 0.43 -1.51 118.70 120.78 3kg6 s GLU 1787Ca 0.17 -0.12 -0.01 0.00 0.02 0.00 0.00 54.97 55.03 3kg6 s GLU 1787Cb -0.11 -0.67 0.02 0.00 0.10 0.00 0.00 34.13 33.46 3kg6 s GLU 1787CO 0.07 -0.01 -0.12 0.42 0.02 0.00 0.00 175.26 175.64 3kg6 s ILE 1788N 0.56 2.60 0.17 -1.63 1.01 0.94 -0.58 121.20 124.28 3kg6 s ILE 1788Ca -0.07 -0.88 0.10 0.00 0.00 0.00 0.00 60.65 59.81 3kg6 s ILE 1788Cb -0.10 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3kg6 s ILE 1788CO -0.00 0.40 -0.20 -0.36 0.00 0.00 0.00 174.94 174.78 3kg6 s PHE 1789N 1.34 2.43 0.03 3.97 0.40 0.34 -0.47 117.98 126.01 3kg6 s PHE 1789Ca 0.03 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 3kg6 s PHE 1789Cb -0.15 -1.22 -0.00 0.00 0.51 0.00 0.00 43.02 42.16 3kg6 s PHE 1789CO -0.08 0.47 0.13 -1.54 0.70 0.00 0.00 175.22 174.90 3kg6 s SER 1790N -2.57 0.10 0.61 1.36 1.04 -0.72 -0.63 113.70 112.89 3kg6 s SER 1790Ca 0.21 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 56.06 3kg6 s SER 1790Cb -0.09 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 3kg6 s SER 1790CO 0.11 -0.47 1.31 -2.65 0.98 0.00 0.00 173.24 172.52 3kg6 n PRO 1791N 1.00 1.33 0.00 4.02 -0.02 -1.26 -0.52 135.00 139.55 3kg6 n PRO 1791Ca -0.20 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3kg6 n PRO 1791Cb 0.57 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3kg6 n PRO 1791CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kg6 n SER 1792N -1.53 0.00 0.00 2.55 2.88 -1.26 -4.70 113.62 111.56 3kg6 n SER 1792Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 3kg6 n SER 1792Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3kg6 n SER 1792CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3kg6 n PRO 1800N 0.00 0.00 0.03 -1.46 -0.02 -1.26 -5.00 135.00 127.29 3kg6 n PRO 1800Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.29 3kg6 n PRO 1800Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 3kg6 n PRO 1800CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3kg6 h GLN 1801N 0.00 0.32 -5.90 -0.52 4.20 -2.00 -3.45 115.11 107.75 3kg6 h GLN 1801Ca 0.00 -0.47 -0.68 0.00 0.06 0.00 0.00 58.65 57.56 3kg6 h GLN 1801Cb 0.00 0.17 -0.28 0.00 0.30 0.00 0.00 27.48 27.67 3kg6 h GLN 1801CO 0.00 1.19 -0.82 -1.58 -0.67 0.00 0.00 178.83 176.96 3kg6 s TRP 1802N -2.64 2.63 -0.16 2.96 0.52 -1.26 -4.40 118.94 116.58 3kg6 s TRP 1802Ca -0.14 -0.53 -0.13 0.00 0.02 0.00 0.00 56.10 55.32 3kg6 s TRP 1802Cb 0.01 -1.68 -0.05 0.00 -1.15 0.00 0.00 33.47 30.61 3kg6 s TRP 1802CO 0.82 -0.10 0.25 0.08 0.02 0.00 0.00 176.95 178.03 3kg6 s VAL 1803N -0.18 5.33 -0.39 4.03 1.01 0.33 -4.86 120.40 125.67 3kg6 s VAL 1803Ca -0.01 0.46 -0.22 0.00 0.00 0.00 0.00 61.98 62.21 3kg6 s VAL 1803Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.67 3kg6 s VAL 1803CO 0.03 0.42 0.70 -0.22 0.00 0.00 0.00 175.10 176.03 3kg6 s LEU 1804N 0.33 4.26 -0.16 3.92 2.96 -1.26 -1.76 118.68 126.96 3kg6 s LEU 1804Ca 0.15 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 54.02 3kg6 s LEU 1804Cb -0.13 -2.87 -0.23 0.00 0.50 0.00 0.00 46.19 43.47 3kg6 s LEU 1804CO 0.03 -0.71 0.28 1.41 -1.32 0.00 0.00 176.35 176.04 3kg6 n HIS 1805N 6.29 1.13 -3.87 5.38 8.25 0.38 -4.31 115.22 128.46 3kg6 n HIS 1805Ca 0.00 0.32 -0.11 0.00 -0.26 0.00 0.00 57.72 57.68 3kg6 n HIS 1805Cb 0.48 -1.14 -0.10 0.00 1.12 0.00 0.00 29.99 30.36 3kg6 n HIS 1805CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kg6 s ALA 1806N -2.48 -0.32 0.10 -1.41 0.00 -1.17 0.70 121.76 117.19 3kg6 s ALA 1806Ca -0.25 -0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 3kg6 s ALA 1806Cb 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.27 3kg6 s ALA 1806CO 0.69 -0.20 0.21 1.14 0.00 0.00 0.00 175.76 177.61 3kg6 s GLN 1807N -1.28 0.91 0.00 0.00 -2.07 -0.56 -0.04 119.66 116.62 3kg6 s GLN 1807Ca -0.14 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.41 3kg6 s GLN 1807Cb -0.07 0.35 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 3kg6 s GLN 1807CO 0.01 -0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.09 3kg6 n GLY 1808N -0.10 -0.56 3.32 2.60 0.00 -0.57 0.26 105.19 110.15 3kg6 n GLY 1808Ca -0.14 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 3kg6 n GLY 1808CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg6 s LYS 1809N -0.29 1.22 -0.05 1.61 3.01 0.12 -0.82 119.74 124.53 3kg6 s LYS 1809Ca 0.00 -1.24 0.03 0.00 -1.01 0.00 0.00 55.97 53.75 3kg6 s LYS 1809Cb 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 37.83 35.30 3kg6 s LYS 1809CO 0.00 0.35 -0.14 0.42 0.51 0.00 0.00 175.35 176.49 3kg6 s ILE 1810N -1.23 1.20 0.28 2.17 1.01 0.35 -0.79 121.20 124.19 3kg6 s ILE 1810Ca 0.10 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3kg6 s ILE 1810Cb -0.10 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3kg6 s ILE 1810CO 0.05 0.36 0.40 0.00 0.00 0.00 0.00 174.94 175.75 3kg6 n TYR 1811N 3.43 -1.29 -4.40 3.97 4.11 -0.53 -0.65 117.16 121.80 3kg6 n TYR 1811Ca -0.20 -1.83 -0.24 0.00 -0.00 0.00 0.00 57.90 55.64 3kg6 n TYR 1811Cb 0.53 0.45 -0.11 0.00 -0.00 0.00 0.00 39.34 40.21 3kg6 n TYR 1811CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 3kg6 s THR 1812N -2.71 2.16 0.17 -3.48 -4.23 -1.26 -0.37 115.64 105.92 3kg6 s THR 1812Ca 0.22 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 3kg6 s THR 1812Cb -0.01 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 3kg6 s THR 1812CO 0.16 -0.28 0.17 -1.83 -0.54 0.00 0.00 174.62 172.30 3kg6 s GLU 1813N -2.98 1.12 0.33 3.99 -1.05 -0.37 -4.95 118.70 114.79 3kg6 s GLU 1813Ca 0.21 -1.41 -0.28 0.00 -0.15 0.00 0.00 54.97 53.34 3kg6 s GLU 1813Cb -0.06 0.30 -0.12 0.00 -0.44 0.00 0.00 34.13 33.81 3kg6 s GLU 1813CO 0.10 -0.37 1.29 -2.30 0.95 0.00 0.00 175.26 174.92 3kg6 n PRO 1814N -0.20 2.09 -3.36 -4.83 -0.02 -1.26 -1.56 135.00 125.87 3kg6 n PRO 1814Ca -0.03 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.80 3kg6 n PRO 1814Cb 0.64 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 3kg6 n PRO 1814CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kg6 s THR 1815N -1.03 5.07 -0.06 3.45 2.01 -1.26 -4.63 115.64 119.19 3kg6 s THR 1815Ca 0.56 0.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 3kg6 s THR 1815Cb -0.58 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.09 3kg6 s THR 1815CO 0.61 0.43 1.23 -0.13 -0.69 0.00 0.00 174.62 176.08 3kg6 s ARG 1816N -0.13 4.33 0.26 4.92 0.52 -1.26 -4.92 118.95 122.67 3kg6 s ARG 1816Ca 0.26 1.71 0.05 0.00 -0.52 0.00 0.00 55.73 57.23 3kg6 s ARG 1816Cb -0.16 -3.58 0.33 0.00 0.52 0.00 0.00 34.95 32.06 3kg6 s ARG 1816CO 0.13 -0.49 1.62 -0.91 0.02 0.00 0.00 175.30 175.67 3kg6 h ASN 1817N 7.57 0.29 -3.35 0.23 2.35 -2.02 -3.42 115.58 117.23 3kg6 h ASN 1817Ca -0.34 -0.15 -0.63 0.00 -0.55 0.00 0.00 56.30 54.63 3kg6 h ASN 1817Cb 1.16 -0.08 -0.20 0.00 0.05 0.00 0.00 38.32 39.24 3kg6 h ASN 1817CO 0.89 0.75 -0.64 -0.94 -1.65 0.00 0.00 177.43 175.85 3kg6 s SER 1818N -6.89 5.03 0.33 5.81 1.04 -1.26 -5.10 113.70 112.67 3kg6 s SER 1818Ca -0.04 -0.10 -0.28 0.00 0.48 0.00 0.00 55.95 56.01 3kg6 s SER 1818Cb 0.13 -1.84 -0.09 0.00 0.10 0.00 0.00 66.02 64.31 3kg6 s SER 1818CO 0.79 0.14 1.12 -1.10 0.98 0.00 0.00 173.24 175.16 3kg6 s GLN 1819N 0.57 4.42 0.36 4.02 -1.52 -1.26 -5.02 119.66 121.22 3kg6 s GLN 1819Ca -0.01 1.78 -0.26 0.00 -1.95 0.00 0.00 55.36 54.93 3kg6 s GLN 1819Cb -0.14 -2.96 -0.09 0.00 -0.22 0.00 0.00 33.01 29.60 3kg6 s GLN 1819CO 0.02 0.02 1.03 0.00 -0.25 0.00 0.00 175.29 176.11 3kg6 s ALA 1820N -1.31 3.18 0.12 6.09 0.00 -1.26 -4.96 121.76 123.61 3kg6 s ALA 1820Ca 0.50 0.70 0.08 0.00 0.00 0.00 0.00 51.96 53.24 3kg6 s ALA 1820Cb -0.30 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3kg6 s ALA 1820CO 0.39 -0.11 -0.14 0.15 0.00 0.00 0.00 175.76 176.04 3kg6 s LYS 1821N -2.17 1.94 -0.02 0.00 -0.14 -1.26 -1.70 119.74 116.38 3kg6 s LYS 1821Ca 0.53 -1.12 0.04 0.00 -1.36 0.00 0.00 55.97 54.05 3kg6 s LYS 1821Cb -0.23 -2.19 -0.01 0.00 -1.68 0.00 0.00 37.83 33.72 3kg6 s LYS 1821CO 0.29 0.49 -0.13 0.42 -0.76 0.00 0.00 175.35 175.66 3kg6 s ILE 1822N -1.21 1.04 -0.95 2.17 -1.09 0.09 -4.93 121.20 116.30 3kg6 s ILE 1822Ca 0.20 -0.54 -0.24 0.00 -2.23 0.00 0.00 60.65 57.84 3kg6 s ILE 1822Cb -0.11 -0.88 -0.02 0.00 -1.58 0.00 0.00 42.46 39.87 3kg6 s ILE 1822CO 0.12 0.30 1.82 -0.62 -1.23 0.00 0.00 174.94 175.33 3kg6 s ASP 1823N -0.13 5.49 0.19 3.58 -1.08 -1.26 -4.38 116.67 119.09 3kg6 s ASP 1823Ca 0.02 -0.95 -0.08 0.00 -0.52 0.00 0.00 52.55 51.01 3kg6 s ASP 1823Cb -0.07 -2.56 0.10 0.00 -1.46 0.00 0.00 42.92 38.93 3kg6 s ASP 1823CO 0.00 -2.44 1.66 0.25 0.52 0.00 0.00 175.17 175.17 3kg6 h LEU 1824N 16.55 1.03 -1.21 -1.34 5.85 -1.90 -2.77 115.31 131.53 3kg6 h LEU 1824Ca 0.14 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.66 3kg6 h LEU 1824Cb 1.00 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 3kg6 h LEU 1824CO 1.27 1.07 0.57 -0.33 -0.34 0.00 0.00 178.44 180.68 3kg6 h GLU 1825N 0.98 0.87 -0.66 1.25 4.39 -1.95 0.20 114.58 119.65 3kg6 h GLU 1825Ca 0.18 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.76 3kg6 h GLU 1825Cb 0.53 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3kg6 h GLU 1825CO 0.03 0.57 0.16 -0.22 -1.16 0.00 0.00 179.01 178.39 3kg6 h LYS 1826N 0.89 1.07 -0.04 2.33 1.63 -1.89 -2.28 116.57 118.27 3kg6 h LYS 1826Ca 0.40 -0.26 -0.23 0.00 -0.85 0.00 0.00 60.65 59.70 3kg6 h LYS 1826Cb 0.35 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 3kg6 h LYS 1826CO -0.16 0.95 -0.92 1.88 -3.45 0.00 0.00 179.45 177.76 3kg6 h TYR 1827N 0.99 0.86 0.00 1.91 0.05 -1.05 -0.36 116.97 119.37 3kg6 h TYR 1827Ca 0.21 -0.44 -0.02 0.00 0.05 0.00 0.00 58.73 58.53 3kg6 h TYR 1827Cb 0.37 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 3kg6 h TYR 1827CO 0.03 1.26 -0.08 1.96 -1.05 0.00 0.00 178.16 180.28 3kg6 h GLN 1828N 0.36 0.00 0.05 4.88 4.20 -0.62 -0.37 115.11 123.61 3kg6 h GLN 1828Ca -0.09 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.29 3kg6 h GLN 1828Cb 1.55 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.29 3kg6 h GLN 1828CO 0.17 0.08 -1.94 0.00 -0.67 0.00 0.00 178.83 176.47 3kg6 n ALA 1829N -2.24 1.24 0.12 3.87 0.00 -0.86 -4.34 120.51 118.29 3kg6 n ALA 1829Ca -0.02 -0.76 0.01 0.00 0.00 0.00 0.00 53.44 52.67 3kg6 n ALA 1829Cb 0.21 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 3kg6 n ALA 1829CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kg6 h GLU 1830N 0.03 0.00 -3.84 0.00 5.08 -0.85 -3.38 114.58 111.61 3kg6 h GLU 1830Ca -0.39 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.19 3kg6 h GLU 1830Cb 2.03 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 31.03 3kg6 h GLU 1830CO 0.07 0.56 0.33 0.00 -1.00 0.00 0.00 179.01 178.97 3kg6 n SER 1832N 3.72 0.42 -4.55 0.00 7.64 -1.20 -4.57 113.62 115.08 3kg6 n SER 1832Ca 0.19 0.18 -0.41 0.00 1.01 0.00 0.00 58.87 59.84 3kg6 n SER 1832Cb 0.44 0.93 -0.03 0.00 -1.01 0.00 0.00 64.21 64.54 3kg6 n SER 1832CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3kg6 s GLN 1833N -3.07 3.21 0.11 1.43 0.74 -0.91 -4.89 119.66 116.27 3kg6 s GLN 1833Ca -0.06 -0.25 -0.31 0.00 0.05 0.00 0.00 55.36 54.79 3kg6 s GLN 1833Cb 0.10 -4.17 -0.08 0.00 1.10 0.00 0.00 33.01 29.95 3kg6 s GLN 1833CO 0.84 -2.10 1.45 0.00 -0.55 0.00 0.00 175.29 174.93 3kg6 s ALA 1834N 5.57 3.63 -0.16 1.58 0.00 -1.26 -0.11 121.76 131.02 3kg6 s ALA 1834Ca 0.35 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 3kg6 s ALA 1834Cb -0.09 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3kg6 s ALA 1834CO 0.15 -0.72 0.04 0.42 0.00 0.00 0.00 175.76 175.66 3kg6 s ILE 1835N 1.37 4.63 0.14 0.00 -1.09 0.18 -4.92 121.20 121.51 3kg6 s ILE 1835Ca 0.66 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 3kg6 s ILE 1835Cb -0.38 -3.05 -0.07 0.00 -1.58 0.00 0.00 42.46 37.38 3kg6 s ILE 1835CO 0.30 0.50 0.97 -0.70 -1.23 0.00 0.00 174.94 174.78 3kg6 s GLU 1836N 0.09 4.72 0.11 2.79 2.56 -1.26 -3.98 118.70 123.73 3kg6 s GLU 1836Ca 0.04 1.49 -0.19 0.00 0.00 0.00 0.00 54.97 56.31 3kg6 s GLU 1836Cb -0.12 -3.35 -0.06 0.00 2.00 0.00 0.00 34.13 32.60 3kg6 s GLU 1836CO 0.01 0.26 1.70 0.82 -0.56 0.00 0.00 175.26 177.48 3kg6 h ILE 1837N 3.83 1.14 -0.19 -3.70 1.08 -1.93 -1.88 117.51 115.85 3kg6 h ILE 1837Ca -0.43 -0.38 -0.08 0.00 -0.39 0.00 0.00 64.86 63.58 3kg6 h ILE 1837Cb 1.21 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 3kg6 h ILE 1837CO 0.71 0.14 -0.23 -0.08 -0.69 0.00 0.00 178.15 177.99 3kg6 h GLU 1838N 0.29 0.35 -0.57 2.37 4.81 -1.98 -2.35 114.58 117.50 3kg6 h GLU 1838Ca 0.09 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3kg6 h GLU 1838Cb 0.10 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3kg6 h GLU 1838CO -0.01 0.57 -0.05 1.49 -0.73 0.00 0.00 179.01 180.27 3kg6 h GLU 1839N 0.31 1.05 -0.36 1.92 4.57 -1.93 -1.58 114.58 118.56 3kg6 h GLU 1839Ca 0.05 -0.36 0.07 0.00 -1.18 0.00 0.00 59.36 57.94 3kg6 h GLU 1839Cb 0.59 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.03 3kg6 h GLU 1839CO 0.04 1.06 -0.05 1.25 -1.18 0.00 0.00 179.01 180.13 3kg6 h HIS 1840N 0.93 -0.11 0.00 0.92 2.76 -0.82 -0.70 115.15 118.13 3kg6 h HIS 1840Ca 0.16 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.20 3kg6 h HIS 1840Cb 0.62 0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 3kg6 h HIS 1840CO 0.04 -0.12 -0.76 1.88 -1.30 0.00 0.00 177.93 177.68 3kg6 h TYR 1841N 0.05 0.00 -0.08 5.26 0.05 -1.41 -2.55 116.97 118.28 3kg6 h TYR 1841Ca 0.18 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.77 3kg6 h TYR 1841Cb 0.26 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 3kg6 h TYR 1841CO -0.29 0.76 -0.74 0.07 -1.05 0.00 0.00 178.16 176.91 3kg6 h ARG 1842N 0.00 0.43 -0.48 4.88 -0.00 -1.13 -1.96 114.38 116.13 3kg6 h ARG 1842Ca -0.01 -0.36 -0.07 0.00 -0.00 0.00 0.00 59.98 59.54 3kg6 h ARG 1842Cb 1.52 0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 31.55 3kg6 h ARG 1842CO 0.10 0.99 -0.00 0.93 -0.00 0.00 0.00 179.97 181.99 3kg6 h GLU 1843N 0.29 0.79 -0.55 0.08 4.39 -1.12 -2.33 114.58 116.14 3kg6 h GLU 1843Ca -0.03 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 3kg6 h GLU 1843Cb 1.32 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 3kg6 h GLU 1843CO 0.13 0.80 -0.07 1.88 -1.16 0.00 0.00 179.01 180.59 3kg6 h TYR 1844N 0.74 1.12 -0.62 4.33 0.05 -1.34 -2.89 116.97 118.36 3kg6 h TYR 1844Ca 0.14 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 3kg6 h TYR 1844Cb 0.46 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 3kg6 h TYR 1844CO 0.02 1.03 0.26 0.00 -1.05 0.00 0.00 178.16 178.42 3kg6 h ARG 1845N 0.89 0.93 0.00 4.88 3.08 -1.15 -0.95 114.38 122.05 3kg6 h ARG 1845Ca 0.15 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3kg6 h ARG 1845Cb 0.63 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3kg6 h ARG 1845CO 0.04 0.78 -0.06 0.66 -1.07 0.00 0.00 179.97 180.32 3kg6 h SER 1846N 0.87 0.00 1.04 7.04 4.64 -1.41 -2.77 113.55 122.96 3kg6 h SER 1846Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 3kg6 h SER 1846Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3kg6 h SER 1846CO -0.02 0.06 -1.01 0.11 -0.87 0.00 0.00 176.83 175.10 3kg6 h LYS 1847N 0.00 0.00 0.00 4.77 1.57 -1.20 -3.48 116.57 118.23 3kg6 h LYS 1847Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kg6 h LYS 1847Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kg6 h LYS 1847CO 0.01 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.51 3kg6 n GLY 1848N 1.27 0.64 3.33 3.86 0.00 -0.79 -4.80 105.19 108.69 3kg6 n GLY 1848Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3kg6 n GLY 1848CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg6 s ILE 1849N -1.49 4.29 -0.61 -0.61 1.01 -0.43 0.10 121.20 123.46 3kg6 s ILE 1849Ca 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 3kg6 s ILE 1849Cb 0.00 -3.45 0.13 0.00 0.01 0.00 0.00 42.46 39.15 3kg6 s ILE 1849CO 0.00 -0.27 0.65 -0.62 0.00 0.00 0.00 174.94 174.70 3kg6 s ASP 1850N 1.61 6.27 -0.13 3.58 2.15 0.15 -2.74 116.67 127.57 3kg6 s ASP 1850Ca 0.01 -1.73 -0.26 0.00 0.43 0.00 0.00 52.55 51.00 3kg6 s ASP 1850Cb -0.20 -2.26 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 3kg6 s ASP 1850CO 0.05 -0.96 0.85 -0.31 -0.17 0.00 0.00 175.17 174.63 3kg6 s TYR 1851N 2.02 3.48 1.01 -5.34 4.12 -1.26 -2.68 117.35 118.69 3kg6 s TYR 1851Ca 0.10 1.35 -0.16 0.00 0.02 0.00 0.00 57.07 58.38 3kg6 s TYR 1851Cb -0.24 -3.02 0.20 0.00 -1.52 0.00 0.00 41.96 37.39 3kg6 s TYR 1851CO 0.03 -0.16 1.23 0.20 0.02 0.00 0.00 175.55 176.87 3kg6 s GLY 1852N 1.07 1.69 0.51 0.71 0.00 0.13 -4.95 107.32 106.48 3kg6 s GLY 1852Ca 0.41 -1.00 0.15 0.00 0.00 0.00 0.00 44.72 44.28 3kg6 s GLY 1852CO 0.16 -0.25 2.14 1.48 0.00 0.00 0.00 173.10 176.62 3kg6 h SER 1853N -1.82 0.06 0.00 1.64 4.64 -1.97 -2.52 113.55 113.58 3kg6 h SER 1853Ca -0.45 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.82 3kg6 h SER 1853Cb 1.27 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 3kg6 h SER 1853CO 0.43 0.05 -0.11 0.28 -0.87 0.00 0.00 176.83 176.60 3kg6 h SER 1854N 0.07 0.23 -0.49 4.97 0.02 -1.92 -2.11 113.55 114.32 3kg6 h SER 1854Ca 0.02 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3kg6 h SER 1854Cb -0.00 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3kg6 h SER 1854CO -0.00 0.37 0.00 0.49 -1.14 0.00 0.00 176.83 176.55 3kg6 n PHE 1855N -4.29 1.79 -2.21 3.45 3.72 -0.95 -4.50 117.46 114.48 3kg6 n PHE 1855Ca -0.01 -0.63 -0.30 0.00 -0.05 0.00 0.00 57.45 56.47 3kg6 n PHE 1855Cb 0.25 -0.46 0.02 0.00 -0.94 0.00 0.00 39.48 38.35 3kg6 n PHE 1855CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3kg6 n GLN 1856N 0.52 3.28 -2.05 -1.08 6.02 -0.79 -4.66 117.38 118.62 3kg6 n GLN 1856Ca 0.24 -4.17 -0.37 0.00 -0.01 0.00 0.00 57.00 52.68 3kg6 n GLN 1856Cb 1.07 -2.26 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 3kg6 n GLN 1856CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg6 n GLY 1857N -0.56 5.32 2.82 1.08 0.00 -1.26 -4.85 105.19 107.74 3kg6 n GLY 1857Ca 0.44 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 3kg6 n GLY 1857CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kg6 s ILE 1858N -2.74 0.90 -0.06 -0.61 1.01 -1.26 -0.57 121.20 117.88 3kg6 s ILE 1858Ca 0.51 -0.71 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 3kg6 s ILE 1858Cb 0.26 -1.26 -0.18 0.00 0.01 0.00 0.00 42.46 41.30 3kg6 s ILE 1858CO -0.17 -0.08 0.91 0.11 0.00 0.00 0.00 174.94 175.71 3kg6 h LYS 1859N 8.15 -0.12 -4.20 2.79 1.57 -0.75 -3.46 116.57 120.55 3kg6 h LYS 1859Ca -0.19 0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.42 3kg6 h LYS 1859Cb 1.11 0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.25 3kg6 h LYS 1859CO 0.37 0.41 -0.70 -0.65 -0.57 0.00 0.00 179.45 178.30 3kg6 s GLN 1860N -3.33 0.45 -0.04 3.15 -0.21 -1.12 -4.89 119.66 113.67 3kg6 s GLN 1860Ca -0.14 -0.81 -0.01 0.00 0.02 0.00 0.00 55.36 54.42 3kg6 s GLN 1860Cb 0.00 0.03 0.03 0.00 1.00 0.00 0.00 33.01 34.07 3kg6 s GLN 1860CO 0.54 -0.04 0.03 -1.17 -2.12 0.00 0.00 175.29 172.54 3kg6 s LEU 1861N -1.87 0.66 0.18 2.90 2.96 -1.26 -0.42 118.68 121.82 3kg6 s LEU 1861Ca -0.08 0.03 0.11 0.00 -0.22 0.00 0.00 54.13 53.97 3kg6 s LEU 1861Cb -0.05 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.42 3kg6 s LEU 1861CO -0.03 -0.18 -0.24 0.26 -1.32 0.00 0.00 176.35 174.84 3kg6 s TRP 1862N 1.61 2.33 -0.05 5.38 0.51 0.71 0.47 118.94 129.89 3kg6 s TRP 1862Ca -0.02 -0.35 0.06 0.00 -2.12 0.00 0.00 56.10 53.66 3kg6 s TRP 1862Cb -0.13 -1.18 -0.01 0.00 -0.81 0.00 0.00 33.47 31.35 3kg6 s TRP 1862CO -0.03 0.46 -0.23 0.21 -0.51 0.00 0.00 176.95 176.84 3kg6 s LYS 1863N -2.52 2.35 0.00 4.98 2.20 0.84 -1.37 119.74 126.23 3kg6 s LYS 1863Ca 0.19 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 3kg6 s LYS 1863Cb -0.09 -2.02 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 3kg6 s LYS 1863CO 0.09 0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 3kg6 n GLY 1864N 2.94 5.92 3.54 5.54 0.00 -0.46 -2.15 105.19 120.53 3kg6 n GLY 1864Ca -0.17 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3kg6 n GLY 1864CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kg6 s GLN 1865N -0.48 3.47 -0.33 1.61 -0.21 -1.26 -3.94 119.66 118.51 3kg6 s GLN 1865Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 55.36 55.23 3kg6 s GLN 1865Cb 0.00 -3.89 0.00 0.00 1.00 0.00 0.00 33.01 30.12 3kg6 s GLN 1865CO 0.00 -0.91 0.00 0.41 -2.12 0.00 0.00 175.29 172.67 3kg6 n GLY 1866N 4.87 0.45 3.11 3.09 0.00 -1.26 -4.97 105.19 110.50 3kg6 n GLY 1866Ca -0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 3kg6 n GLY 1866CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kg6 s LYS 1867N -1.76 0.68 -0.12 1.61 1.02 -1.25 -0.82 119.74 119.10 3kg6 s LYS 1867Ca 0.00 -1.18 -0.14 0.00 0.02 0.00 0.00 55.97 54.67 3kg6 s LYS 1867Cb 0.00 -0.03 0.04 0.00 -0.52 0.00 0.00 37.83 37.31 3kg6 s LYS 1867CO 0.00 -0.05 0.38 0.00 -0.92 0.00 0.00 175.35 174.76 3kg6 s ALA 1868N -3.33 -0.95 -0.04 5.17 0.00 -0.32 -1.36 121.76 120.93 3kg6 s ALA 1868Ca 0.06 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.03 3kg6 s ALA 1868Cb 0.04 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3kg6 s ALA 1868CO -0.06 -0.20 -0.12 -1.17 0.00 0.00 0.00 175.76 174.21 3kg6 s LEU 1869N -0.05 1.74 -0.07 0.00 2.96 -0.47 -0.85 118.68 121.94 3kg6 s LEU 1869Ca -0.02 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3kg6 s LEU 1869Cb -0.03 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.94 3kg6 s LEU 1869CO 0.01 0.07 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.22 3kg6 s GLY 1870N 0.35 0.63 -0.36 7.98 0.00 0.53 -0.21 107.32 116.24 3kg6 s GLY 1870Ca -0.08 -0.27 -0.26 0.00 0.00 0.00 0.00 44.72 44.12 3kg6 s GLY 1870CO 0.02 0.52 0.93 1.85 0.00 0.00 0.00 173.10 176.42 3kg6 s GLU 1871N 1.15 3.86 0.51 2.90 2.12 0.44 -0.05 118.70 129.63 3kg6 s GLU 1871Ca -0.07 0.61 -0.08 0.00 0.36 0.00 0.00 54.97 55.79 3kg6 s GLU 1871Cb -0.14 -3.79 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 3kg6 s GLU 1871CO -0.01 -0.93 0.87 -1.64 -0.54 0.00 0.00 175.26 173.01 3kg6 s MET 1872N 3.46 3.62 0.16 4.30 -1.94 -0.42 -0.13 119.30 128.35 3kg6 s MET 1872Ca 0.38 0.45 0.06 0.00 -1.71 0.00 0.00 55.69 54.87 3kg6 s MET 1872Cb -0.12 -2.27 -0.04 0.00 2.01 0.00 0.00 34.83 34.40 3kg6 s MET 1872CO 0.18 -0.29 -0.13 0.00 -0.01 0.00 0.00 175.02 174.77 3kg6 s ALA 1873N -2.81 1.70 -0.42 3.03 0.00 0.27 -4.46 121.76 119.07 3kg6 s ALA 1873Ca 0.51 -1.51 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 3kg6 s ALA 1873Cb -0.10 -0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.07 3kg6 s ALA 1873CO 0.45 0.02 0.24 -0.06 0.00 0.00 0.00 175.76 176.41 3kg6 s PHE 1874N -2.89 3.41 -0.14 0.00 0.08 -1.26 -4.56 117.98 112.62 3kg6 s PHE 1874Ca 0.17 -1.85 -0.38 0.00 0.12 0.00 0.00 56.93 55.00 3kg6 s PHE 1874Cb -0.01 -3.07 -0.15 0.00 -0.57 0.00 0.00 43.02 39.22 3kg6 s PHE 1874CO 0.04 -0.91 1.70 -2.30 -0.10 0.00 0.00 175.22 173.65 3kg6 n PRO 1875N 4.81 1.50 -0.33 0.24 -0.02 -1.26 -4.82 135.00 135.13 3kg6 n PRO 1875Ca -0.08 0.55 0.18 0.00 -2.02 0.00 0.00 63.50 62.13 3kg6 n PRO 1875Cb 0.42 -2.28 0.38 0.00 -0.02 0.00 0.00 33.50 32.01 3kg6 n PRO 1875CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3kg6 h GLU 1876N 7.22 0.40 -0.10 -0.52 4.22 -1.97 -0.43 114.58 123.41 3kg6 h GLU 1876Ca -0.47 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 58.97 3kg6 h GLU 1876Cb 1.30 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3kg6 h GLU 1876CO 0.92 0.27 0.10 1.05 -2.18 0.00 0.00 179.01 179.17 3kg6 h GLU 1877N 0.42 0.00 0.00 1.92 4.11 -1.99 -2.96 114.58 116.08 3kg6 h GLU 1877Ca 0.64 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.07 3kg6 h GLU 1877Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3kg6 h GLU 1877CO -0.55 0.00 -1.14 1.28 0.07 0.00 0.00 179.01 178.67 3kg6 n LEU 1878N -3.90 0.65 -0.16 3.06 4.77 -0.17 -4.58 117.00 116.65 3kg6 n LEU 1878Ca -0.01 -0.20 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 3kg6 n LEU 1878Cb 0.21 -0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.69 3kg6 n LEU 1878CO 0.28 0.12 1.21 0.71 -1.33 0.00 0.00 177.39 178.38 3kg6 h THR 1879N 0.00 0.87 0.00 -5.08 1.35 -1.56 -1.98 112.91 106.52 3kg6 h THR 1879Ca 0.00 -0.18 -0.11 0.00 -0.55 0.00 0.00 66.41 65.57 3kg6 h THR 1879Cb 0.67 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 3kg6 h THR 1879CO 0.00 0.10 -0.53 0.00 -0.25 0.00 0.00 175.52 174.84 3kg6 h ALA 1880N 1.64 0.86 -0.02 6.62 0.00 -1.82 -3.17 119.26 123.38 3kg6 h ALA 1880Ca 0.35 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kg6 h ALA 1880Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kg6 h ALA 1880CO -0.12 0.66 -0.00 0.00 0.00 0.00 0.00 179.25 179.78 3kg6 n GLN 1881N -3.52 1.88 0.25 0.00 10.64 -0.76 -4.32 117.38 121.56 3kg6 n GLN 1881Ca -0.00 -1.29 0.11 0.00 -1.83 0.00 0.00 57.00 53.99 3kg6 n GLN 1881Cb 0.62 -1.47 0.66 0.00 -0.86 0.00 0.00 30.24 29.19 3kg6 n GLN 1881CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 3kg6 h LEU 1882N 3.15 0.00 -1.32 2.61 3.38 -1.50 -1.84 115.31 119.79 3kg6 h LEU 1882Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kg6 h LEU 1882Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kg6 h LEU 1882CO 0.00 0.15 -0.14 0.00 0.09 0.00 0.00 178.44 178.54 3kg6 h ALA 1883N 1.85 1.04 0.00 1.53 0.00 -1.81 -2.97 119.26 118.89 3kg6 h ALA 1883Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kg6 h ALA 1883Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kg6 h ALA 1883CO 0.02 0.17 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 3kg6 n ASP 1884N -3.31 0.00 -4.39 0.00 8.00 -0.69 -4.88 116.55 111.28 3kg6 n ASP 1884Ca 0.00 0.45 -0.27 0.00 0.71 0.00 0.00 54.79 55.68 3kg6 n ASP 1884Cb 0.37 -0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 40.86 3kg6 n ASP 1884CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kg6 s TYR 1885N -2.96 2.19 -0.02 1.24 2.02 -1.12 -4.76 117.35 113.92 3kg6 s TYR 1885Ca 0.14 -0.39 -0.22 0.00 -0.37 0.00 0.00 57.07 56.24 3kg6 s TYR 1885Cb 0.18 -1.13 -0.14 0.00 -0.40 0.00 0.00 41.96 40.48 3kg6 s TYR 1885CO 0.50 0.40 0.95 1.96 -1.57 0.00 0.00 175.55 177.79 3kg6 h GLN 1886N 3.50 -0.45 -2.83 -0.62 1.08 -1.90 -3.44 115.11 110.45 3kg6 h GLN 1886Ca -0.47 0.03 -0.32 0.00 -1.45 0.00 0.00 58.65 56.44 3kg6 h GLN 1886Cb 1.19 0.10 -0.36 0.00 -0.05 0.00 0.00 27.48 28.36 3kg6 h GLN 1886CO 0.45 -0.14 -0.64 -1.17 -0.95 0.00 0.00 178.83 176.37 3kg6 s LEU 1887N -9.27 -0.04 0.12 1.46 2.96 -1.26 -4.81 118.68 107.84 3kg6 s LEU 1887Ca -0.12 -0.02 -0.34 0.00 -0.22 0.00 0.00 54.13 53.43 3kg6 s LEU 1887Cb 0.01 0.27 -0.13 0.00 0.50 0.00 0.00 46.19 46.84 3kg6 s LEU 1887CO 0.43 -0.29 1.64 1.57 -1.32 0.00 0.00 176.35 178.38 3kg6 n HIS 1888N 5.32 2.32 0.04 5.38 -0.00 -1.26 -4.79 115.22 122.23 3kg6 n HIS 1888Ca -0.05 0.19 0.19 0.00 -0.00 0.00 0.00 57.72 58.05 3kg6 n HIS 1888Cb 0.50 -2.58 0.69 0.00 -0.00 0.00 0.00 29.99 28.60 3kg6 n HIS 1888CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3kg6 h PRO 1889N 6.60 0.00 -0.03 1.57 0.11 -1.98 -1.47 132.00 136.80 3kg6 h PRO 1889Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 3kg6 h PRO 1889Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3kg6 h PRO 1889CO 0.90 0.00 -0.77 0.00 -0.21 0.00 0.00 178.00 177.92 3kg6 h ALA 1890N 1.76 0.65 -0.10 -0.75 0.00 -1.89 -0.63 119.26 118.29 3kg6 h ALA 1890Ca 0.22 -0.65 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 3kg6 h ALA 1890Cb 0.88 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kg6 h ALA 1890CO -0.00 0.84 -0.69 -0.07 0.00 0.00 0.00 179.25 179.33 3kg6 h LEU 1891N 0.14 0.51 -0.12 0.00 3.38 -1.58 -1.94 115.31 115.70 3kg6 h LEU 1891Ca -0.03 -0.32 -0.24 0.00 0.09 0.00 0.00 57.88 57.38 3kg6 h LEU 1891Cb 1.35 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.96 3kg6 h LEU 1891CO 0.12 1.05 -0.99 0.25 0.09 0.00 0.00 178.44 178.95 3kg6 h LEU 1892N 0.31 0.58 -0.83 1.67 5.85 -1.47 -3.10 115.31 118.31 3kg6 h LEU 1892Ca -0.02 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 3kg6 h LEU 1892Cb 1.25 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3kg6 h LEU 1892CO 0.12 1.29 0.34 -0.78 -0.34 0.00 0.00 178.44 179.07 3kg6 h ASP 1893N 0.23 1.10 -0.01 1.25 1.82 -1.04 0.35 116.42 120.13 3kg6 h ASP 1893Ca -0.09 -0.16 -0.00 0.00 -0.39 0.00 0.00 57.03 56.38 3kg6 h ASP 1893Cb 1.64 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 41.36 3kg6 h ASP 1893CO 0.17 0.96 -0.00 0.00 -1.61 0.00 0.00 179.24 178.76 3kg6 h ALA 1894N 1.20 1.94 -0.11 -0.78 0.00 -1.40 -0.33 119.26 119.77 3kg6 h ALA 1894Ca 0.27 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3kg6 h ALA 1894Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kg6 h ALA 1894CO -0.03 0.05 -0.24 0.00 0.00 0.00 0.00 179.25 179.03 3kg6 h ALA 1895N 1.95 0.18 -0.74 0.00 0.00 -1.13 -3.12 119.26 116.41 3kg6 h ALA 1895Ca 0.01 -0.39 0.18 0.00 0.00 0.00 0.00 54.91 54.71 3kg6 h ALA 1895Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3kg6 h ALA 1895CO 0.00 0.16 0.51 0.74 0.00 0.00 0.00 179.25 180.66 3kg6 h PHE 1896N -0.06 0.27 0.00 0.00 -1.00 -0.17 -2.27 116.94 113.71 3kg6 h PHE 1896Ca 0.00 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 3kg6 h PHE 1896Cb 0.84 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 40.31 3kg6 h PHE 1896CO 0.11 0.09 -0.01 1.96 -1.61 0.00 0.00 178.31 178.85 3kg6 h GLN 1897N 0.22 0.00 0.00 1.51 4.20 -1.02 -2.41 115.11 117.62 3kg6 h GLN 1897Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3kg6 h GLN 1897Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3kg6 h GLN 1897CO -0.08 0.01 -0.66 0.44 -0.67 0.00 0.00 178.83 177.87 3kg6 n ILE 1898N -3.19 0.10 -0.25 2.54 -5.35 -0.85 -4.37 119.36 107.99 3kg6 n ILE 1898Ca -0.02 -0.10 -0.01 0.00 -0.27 0.00 0.00 62.75 62.34 3kg6 n ILE 1898Cb 0.11 0.22 0.11 0.00 -1.74 0.00 0.00 39.64 38.33 3kg6 n ILE 1898CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3kg6 h VAL 1899N 0.00 1.00 0.00 7.28 2.07 -1.56 -2.21 116.25 122.83 3kg6 h VAL 1899Ca 0.00 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3kg6 h VAL 1899Cb 0.59 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3kg6 h VAL 1899CO 0.00 0.14 -0.01 0.77 0.02 0.00 0.00 177.57 178.49 3kg6 h SER 1900N 0.77 0.00 1.14 0.57 4.64 -1.78 -0.08 113.55 118.81 3kg6 h SER 1900Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3kg6 h SER 1900Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3kg6 h SER 1900CO -0.17 0.01 0.00 -1.22 -0.87 0.00 0.00 176.83 174.58 3kg6 n TYR 1901N -3.91 0.61 0.01 4.77 4.01 -0.83 -3.18 117.16 118.64 3kg6 n TYR 1901Ca -0.03 0.19 0.01 0.00 -0.16 0.00 0.00 57.90 57.91 3kg6 n TYR 1901Cb 0.09 -0.81 -0.10 0.00 -0.31 0.00 0.00 39.34 38.21 3kg6 n TYR 1901CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kg6 n ALA 1902N -1.69 2.04 -2.61 -0.72 0.00 -0.06 -4.68 120.51 112.79 3kg6 n ALA 1902Ca 0.05 -0.63 -0.39 0.00 0.00 0.00 0.00 53.44 52.47 3kg6 n ALA 1902Cb 0.35 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 3kg6 n ALA 1902CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kg6 s ILE 1903N -2.98 5.18 -0.84 0.00 1.01 -1.13 -3.99 121.20 118.45 3kg6 s ILE 1903Ca -0.04 0.58 -0.25 0.00 0.00 0.00 0.00 60.65 60.93 3kg6 s ILE 1903Cb 0.09 -3.70 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3kg6 s ILE 1903CO 0.83 0.17 1.79 -2.84 0.00 0.00 0.00 174.94 174.88 3kg6 s PRO 1904N 1.97 2.80 0.00 2.79 0.02 -1.26 -4.90 135.00 136.43 3kg6 s PRO 1904Ca 0.15 -0.23 0.00 0.00 0.02 0.00 0.00 61.00 60.94 3kg6 s PRO 1904Cb -0.16 -4.89 0.00 0.00 0.02 0.00 0.00 34.50 29.47 3kg6 s PRO 1904CO 0.10 -2.93 0.00 -1.91 -0.33 0.00 0.00 177.00 171.93 3kg6 n GLU 1907N 8.98 0.00 -4.23 5.54 0.00 -1.26 -5.19 120.64 124.48 3kg6 n GLU 1907Ca 0.31 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 57.30 3kg6 n GLU 1907Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.82 3kg6 n GLU 1907CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3kg6 s THR 1908N 0.38 1.30 -0.21 6.31 2.01 -1.26 -5.03 115.64 119.13 3kg6 s THR 1908Ca 0.00 -1.66 -0.05 0.00 0.31 0.00 0.00 61.69 60.29 3kg6 s THR 1908Cb 0.00 -1.47 -0.16 0.00 0.01 0.00 0.00 72.50 70.87 3kg6 s THR 1908CO 0.00 -0.39 2.61 0.47 -0.69 0.00 0.00 174.62 176.62 3kg6 n ASP 1909N 0.63 4.09 -3.36 3.53 8.00 -1.26 -4.78 116.55 123.40 3kg6 n ASP 1909Ca -0.16 -2.22 -0.21 0.00 0.71 0.00 0.00 54.79 52.91 3kg6 n ASP 1909Cb 0.57 -1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.56 3kg6 n ASP 1909CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kg6 s LYS 1910N 1.89 1.82 -0.25 -1.24 2.20 -1.26 -4.97 119.74 117.93 3kg6 s LYS 1910Ca 0.47 -2.07 -0.12 0.00 -0.36 0.00 0.00 55.97 53.90 3kg6 s LYS 1910Cb 0.20 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 36.72 3kg6 s LYS 1910CO -0.01 -0.66 0.21 0.42 -0.36 0.00 0.00 175.35 174.96 3kg6 s ILE 1911N -3.37 5.31 -0.25 5.43 -1.09 -1.26 -5.05 121.20 120.91 3kg6 s ILE 1911Ca 0.39 0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 59.03 3kg6 s ILE 1911Cb 0.02 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 3kg6 s ILE 1911CO 0.28 0.30 0.05 -0.31 -1.23 0.00 0.00 174.94 174.02 3kg6 s TYR 1912N 1.33 3.07 0.01 3.97 2.02 -1.26 -1.54 117.35 124.96 3kg6 s TYR 1912Ca 0.09 -0.69 0.03 0.00 -0.37 0.00 0.00 57.07 56.14 3kg6 s TYR 1912Cb -0.14 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 3kg6 s TYR 1912CO 0.07 -0.46 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.02 3kg6 s LEU 1913N 1.55 3.21 0.32 -1.29 1.43 0.45 -4.84 118.68 119.51 3kg6 s LEU 1913Ca 0.05 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 3kg6 s LEU 1913Cb -0.15 -1.85 -0.12 0.00 0.03 0.00 0.00 46.19 44.10 3kg6 s LEU 1913CO 0.02 0.27 1.54 -2.65 0.23 0.00 0.00 176.35 175.76 3kg6 n PRO 1914N 1.47 2.63 0.00 1.29 -0.02 -1.26 -0.42 135.00 138.68 3kg6 n PRO 1914Ca -0.15 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3kg6 n PRO 1914Cb 0.52 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3kg6 n PRO 1914CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kg6 n VAL 1915N 1.52 0.00 -3.57 -1.45 0.31 0.79 -4.81 118.33 111.12 3kg6 n VAL 1915Ca 0.06 -0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.24 3kg6 n VAL 1915Cb 0.37 0.44 -0.05 0.00 -0.91 0.00 0.00 33.84 33.69 3kg6 n VAL 1915CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3kg6 s GLY 1916N -1.68 -0.44 -0.03 2.92 0.00 -1.13 -0.44 107.32 106.52 3kg6 s GLY 1916Ca 0.00 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.32 3kg6 s GLY 1916CO 0.00 0.31 0.04 0.14 0.00 0.00 0.00 173.10 173.59 3kg6 s VAL 1917N -2.46 -0.07 -0.00 1.40 1.01 -0.72 -1.03 120.40 118.52 3kg6 s VAL 1917Ca -0.05 0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 3kg6 s VAL 1917Cb -0.01 -0.13 -0.13 0.00 0.00 0.00 0.00 36.38 36.11 3kg6 s VAL 1917CO -0.02 0.14 0.97 -0.33 0.00 0.00 0.00 175.10 175.86 3kg6 h GLU 1918N 7.89 -0.72 -3.77 2.72 5.08 -0.99 -0.58 114.58 124.21 3kg6 h GLU 1918Ca -0.28 0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 57.89 3kg6 h GLU 1918Cb 1.12 0.16 -0.28 0.00 0.50 0.00 0.00 28.75 30.26 3kg6 h GLU 1918CO 0.31 -0.45 -0.72 0.15 -1.00 0.00 0.00 179.01 177.30 3kg6 s LYS 1919N -4.23 0.04 -0.18 2.33 1.02 -0.46 -1.11 119.74 117.16 3kg6 s LYS 1919Ca -0.12 -0.04 -0.01 0.00 0.02 0.00 0.00 55.97 55.82 3kg6 s LYS 1919Cb 0.01 -0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.36 3kg6 s LYS 1919CO 0.38 0.00 -0.04 0.12 -0.92 0.00 0.00 175.35 174.90 3kg6 s PHE 1920N -0.09 1.72 -0.09 3.18 5.36 0.25 -0.20 117.98 128.11 3kg6 s PHE 1920Ca -0.01 -1.16 0.02 0.00 -0.96 0.00 0.00 56.93 54.83 3kg6 s PHE 1920Cb -0.01 -1.32 0.01 0.00 -0.34 0.00 0.00 43.02 41.37 3kg6 s PHE 1920CO -0.00 -0.64 -0.16 0.15 -1.46 0.00 0.00 175.22 173.12 3kg6 s LYS 1921N 1.63 2.17 -0.25 10.12 1.02 0.39 -1.80 119.74 133.01 3kg6 s LYS 1921Ca -0.01 -0.56 -0.03 0.00 0.02 0.00 0.00 55.97 55.39 3kg6 s LYS 1921Cb -0.16 -1.79 0.01 0.00 -0.52 0.00 0.00 37.83 35.38 3kg6 s LYS 1921CO -0.07 0.00 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.16 3kg6 s LEU 1922N 0.78 3.26 -0.22 3.17 2.96 -1.26 -0.51 118.68 126.86 3kg6 s LEU 1922Ca -0.11 -0.73 -0.16 0.00 -0.22 0.00 0.00 54.13 52.91 3kg6 s LEU 1922Cb -0.16 -1.73 -0.18 0.00 0.50 0.00 0.00 46.19 44.62 3kg6 s LEU 1922CO 0.02 -0.12 0.06 -1.22 -1.32 0.00 0.00 176.35 173.78 3kg6 n TYR 1923N 4.74 0.74 -3.97 5.38 4.02 0.20 -4.87 117.16 123.40 3kg6 n TYR 1923Ca -0.16 0.27 -0.14 0.00 -0.01 0.00 0.00 57.90 57.86 3kg6 n TYR 1923Cb 0.48 -1.08 -0.15 0.00 -0.02 0.00 0.00 39.34 38.58 3kg6 n TYR 1923CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3kg6 s ARG 1924N -2.44 0.19 0.18 -0.72 3.52 -1.09 -5.08 118.95 113.50 3kg6 s ARG 1924Ca -0.31 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 54.95 3kg6 s ARG 1924Cb 0.08 -0.23 -0.09 0.00 -1.56 0.00 0.00 34.95 33.16 3kg6 s ARG 1924CO 0.60 0.00 1.34 -0.65 -0.81 0.00 0.00 175.30 175.78 3kg6 s GLN 1925N 0.20 4.36 -0.15 5.12 -0.21 -1.26 -4.76 119.66 122.96 3kg6 s GLN 1925Ca -0.02 2.08 0.00 0.00 0.02 0.00 0.00 55.36 57.45 3kg6 s GLN 1925Cb -0.04 -3.20 0.02 0.00 1.00 0.00 0.00 33.01 30.79 3kg6 s GLN 1925CO -0.01 -0.32 -0.14 -0.08 -2.12 0.00 0.00 175.29 172.63 3kg6 s THR 1926N 0.37 1.57 0.11 -0.19 -1.32 -1.26 -5.00 115.64 109.93 3kg6 s THR 1926Ca 0.59 -0.64 0.01 0.00 -1.21 0.00 0.00 61.69 60.43 3kg6 s THR 1926Cb -0.37 -1.48 -0.23 0.00 -1.51 0.00 0.00 72.50 68.91 3kg6 s THR 1926CO 0.36 0.45 1.25 0.40 -2.21 0.00 0.00 174.62 174.87 3kg6 h ILE 1927N 6.06 1.56 -4.32 5.08 2.04 -2.01 -3.48 117.51 122.45 3kg6 h ILE 1927Ca -0.38 -3.05 -0.24 0.00 1.00 0.00 0.00 64.86 62.18 3kg6 h ILE 1927Cb 1.13 2.79 -0.15 0.00 -0.74 0.00 0.00 36.82 39.85 3kg6 h ILE 1927CO 0.53 0.89 -0.63 -0.94 0.00 0.00 0.00 178.15 177.99 3kg6 s SER 1928N -6.96 0.48 -0.61 1.72 1.04 -1.26 -5.02 113.70 103.10 3kg6 s SER 1928Ca -0.02 -1.30 -0.16 0.00 0.48 0.00 0.00 55.95 54.94 3kg6 s SER 1928Cb 0.09 0.29 0.02 0.00 0.10 0.00 0.00 66.02 66.52 3kg6 s SER 1928CO 0.85 -0.75 0.64 0.00 0.98 0.00 0.00 173.24 174.96 3kg6 n GLN 1929N -0.24 -1.80 -4.76 4.02 6.02 -1.26 -4.99 117.38 114.36 3kg6 n GLN 1929Ca -0.02 1.38 -0.33 0.00 -0.01 0.00 0.00 57.00 58.02 3kg6 n GLN 1929Cb 0.65 -3.49 -0.13 0.00 1.02 0.00 0.00 30.24 28.30 3kg6 n GLN 1929CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3kg6 s VAL 1930N -2.41 3.30 -0.10 5.09 1.01 -1.26 -4.06 120.40 121.97 3kg6 s VAL 1930Ca 0.18 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3kg6 s VAL 1930Cb -0.03 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3kg6 s VAL 1930CO 0.84 0.57 -0.15 0.26 0.00 0.00 0.00 175.10 176.63 3kg6 s TRP 1931N -0.48 2.74 -0.17 5.22 0.52 -0.81 -1.30 118.94 124.66 3kg6 s TRP 1931Ca 0.06 -0.48 -0.07 0.00 0.02 0.00 0.00 56.10 55.63 3kg6 s TRP 1931Cb -0.12 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 3kg6 s TRP 1931CO 0.02 -0.07 0.06 0.00 0.02 0.00 0.00 176.95 176.98 3kg6 s ALA 1932N -0.07 3.45 -0.12 0.98 0.00 0.92 -0.82 121.76 126.09 3kg6 s ALA 1932Ca -0.03 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3kg6 s ALA 1932Cb -0.14 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.11 3kg6 s ALA 1932CO 0.04 0.26 -0.15 0.42 0.00 0.00 0.00 175.76 176.34 3kg6 s ILE 1933N 0.10 1.50 -0.08 0.00 1.01 0.02 -0.35 121.20 123.41 3kg6 s ILE 1933Ca 0.05 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3kg6 s ILE 1933Cb -0.12 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3kg6 s ILE 1933CO 0.01 0.44 -0.16 0.00 0.00 0.00 0.00 174.94 175.23 3kg6 s ALA 1934N 1.18 2.54 -0.05 9.38 0.00 -0.03 -0.64 121.76 134.15 3kg6 s ALA 1934Ca -0.02 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.99 3kg6 s ALA 1934Cb -0.14 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.00 3kg6 s ALA 1934CO -0.05 0.41 -0.08 -1.21 0.00 0.00 0.00 175.76 174.84 3kg6 s GLU 1935N -0.21 1.19 0.58 0.00 2.02 -0.38 -1.17 118.70 120.73 3kg6 s GLU 1935Ca -0.00 -0.24 -0.18 0.00 0.02 0.00 0.00 54.97 54.57 3kg6 s GLU 1935Cb -0.13 -1.07 -0.07 0.00 0.10 0.00 0.00 34.13 32.95 3kg6 s GLU 1935CO 0.03 -0.03 0.70 1.51 0.02 0.00 0.00 175.26 177.49 3kg6 n ILE 1936N 3.94 2.83 -4.23 -1.63 3.06 0.00 -1.22 119.36 122.11 3kg6 n ILE 1936Ca -0.24 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.26 3kg6 n ILE 1936Cb 0.51 -0.86 -0.08 0.00 0.54 0.00 0.00 39.64 39.75 3kg6 n ILE 1936CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 3kg6 s ARG 1937N -2.34 2.18 0.51 9.51 1.81 -0.69 -4.72 118.95 125.21 3kg6 s ARG 1937Ca 0.71 -1.82 0.28 0.00 -1.72 0.00 0.00 55.73 53.19 3kg6 s ARG 1937Cb -0.44 -1.95 1.32 0.00 -0.45 0.00 0.00 34.95 33.43 3kg6 s ARG 1937CO 0.51 -0.03 2.00 0.37 -0.68 0.00 0.00 175.30 177.47 3kg6 h GLN 1938N 1.56 0.00 -6.25 3.54 4.15 -1.96 -3.44 115.11 112.71 3kg6 h GLN 1938Ca -0.43 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.44 3kg6 h GLN 1938Cb 1.25 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 3kg6 h GLN 1938CO 0.70 0.13 0.07 0.99 -1.93 0.00 0.00 178.83 178.79 3kg6 s THR 1939N -3.93 4.73 0.08 2.39 2.01 -1.26 -5.02 115.64 114.64 3kg6 s THR 1939Ca -0.01 1.44 -0.36 0.00 0.31 0.00 0.00 61.69 63.06 3kg6 s THR 1939Cb 0.11 -4.02 -0.16 0.00 0.01 0.00 0.00 72.50 68.45 3kg6 s THR 1939CO 0.58 0.45 1.41 -3.20 -0.69 0.00 0.00 174.62 173.17 3kg6 n ASN 1940N 2.36 1.97 -2.49 3.53 5.15 -1.26 -2.33 115.26 122.19 3kg6 n ASN 1940Ca -0.06 1.11 -0.15 0.00 -0.60 0.00 0.00 54.58 54.88 3kg6 n ASN 1940Cb 0.50 -1.23 -0.01 0.00 -0.53 0.00 0.00 39.78 38.52 3kg6 n ASN 1940CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3kg6 n LEU 1941N 2.89 -1.35 -4.28 1.20 4.77 -1.26 -4.89 117.00 114.08 3kg6 n LEU 1941Ca 0.19 0.12 -0.30 0.00 -0.03 0.00 0.00 56.01 55.99 3kg6 n LEU 1941Cb 0.21 -2.31 -0.16 0.00 -2.33 0.00 0.00 43.42 38.83 3kg6 n LEU 1941CO 0.64 -0.12 -0.56 -0.89 -1.33 0.00 0.00 177.39 175.13 3kg6 s THR 1942N -2.72 1.92 0.12 -5.08 2.01 -0.98 -1.13 115.64 109.78 3kg6 s THR 1942Ca 0.03 -1.04 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 3kg6 s THR 1942Cb -0.01 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 3kg6 s THR 1942CO 0.03 0.54 0.17 0.00 -0.69 0.00 0.00 174.62 174.68 3kg6 s ALA 1943N -0.54 0.14 -0.02 7.40 0.00 -0.09 -1.70 121.76 126.95 3kg6 s ALA 1943Ca 0.08 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 3kg6 s ALA 1943Cb -0.10 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3kg6 s ALA 1943CO -0.01 -0.54 0.04 -0.80 0.00 0.00 0.00 175.76 174.46 3kg6 s ASN 1944N -2.94 5.45 -0.03 0.00 0.01 -0.36 -0.37 114.94 116.71 3kg6 s ASN 1944Ca 0.13 0.11 0.06 0.00 -0.71 0.00 0.00 52.86 52.45 3kg6 s ASN 1944Cb 0.05 -1.53 -0.01 0.00 0.41 0.00 0.00 41.25 40.17 3kg6 s ASN 1944CO -0.05 0.30 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.99 3kg6 s ILE 1945N -1.10 1.74 -0.02 0.60 1.01 0.43 -1.25 121.20 122.61 3kg6 s ILE 1945Ca 0.20 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 59.99 3kg6 s ILE 1945Cb -0.12 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 3kg6 s ILE 1945CO 0.10 0.49 -0.21 -0.36 0.00 0.00 0.00 174.94 174.97 3kg6 s PHE 1946N -0.33 1.88 -0.21 3.97 0.08 0.19 -0.03 117.98 123.53 3kg6 s PHE 1946Ca 0.03 -0.37 -0.05 0.00 0.12 0.00 0.00 56.93 56.66 3kg6 s PHE 1946Cb -0.10 -1.21 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3kg6 s PHE 1946CO 0.01 -0.04 -0.00 -0.51 -0.10 0.00 0.00 175.22 174.57 3kg6 s LEU 1947N -0.45 3.19 0.27 -0.37 1.43 0.26 -0.80 118.68 122.20 3kg6 s LEU 1947Ca 0.07 -0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.01 3kg6 s LEU 1947Cb -0.08 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3kg6 s LEU 1947CO -0.01 0.03 -0.12 0.68 0.23 0.00 0.00 176.35 177.16 3kg6 s VAL 1948N 1.20 1.96 1.14 -1.59 -7.23 -0.00 0.05 120.40 115.93 3kg6 s VAL 1948Ca 0.03 -2.23 -0.17 0.00 -1.81 0.00 0.00 61.98 57.80 3kg6 s VAL 1948Cb -0.15 -2.32 0.25 0.00 0.56 0.00 0.00 36.38 34.73 3kg6 s VAL 1948CO 0.01 -0.40 1.10 -0.62 -0.31 0.00 0.00 175.10 174.87 3kg6 s ASP 1949N -3.44 1.47 0.46 4.85 3.68 0.14 -1.92 116.67 121.90 3kg6 s ASP 1949Ca 0.28 0.86 0.16 0.00 2.13 0.00 0.00 52.55 55.98 3kg6 s ASP 1949Cb 0.00 -1.28 1.08 0.00 -1.45 0.00 0.00 42.92 41.27 3kg6 s ASP 1949CO 0.12 -3.81 2.01 0.78 0.13 0.00 0.00 175.17 174.40 3kg6 h ASN 1950N -2.36 0.00 -0.60 -0.34 2.35 -1.91 -2.49 115.58 110.22 3kg6 h ASN 1950Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 3kg6 h ASN 1950Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3kg6 h ASN 1950CO 0.44 0.16 0.00 0.00 -1.65 0.00 0.00 177.43 176.38 3kg6 n GLN 1951N -4.26 2.46 -0.45 0.81 6.02 -1.26 -4.93 117.38 115.77 3kg6 n GLN 1951Ca -0.02 -2.27 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 3kg6 n GLN 1951Cb 0.23 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3kg6 n GLN 1951CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kg6 n GLY 1952N 1.51 0.75 3.69 1.08 0.00 -0.94 -4.78 105.19 106.51 3kg6 n GLY 1952Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3kg6 n GLY 1952CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kg6 s THR 1953N -2.42 3.35 -0.06 2.61 2.01 -1.26 -0.74 115.64 119.13 3kg6 s THR 1953Ca 0.00 0.82 -0.30 0.00 0.31 0.00 0.00 61.69 62.52 3kg6 s THR 1953Cb 0.00 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 3kg6 s THR 1953CO 0.00 0.01 1.62 -0.69 -0.69 0.00 0.00 174.62 174.87 3kg6 s VAL 1954N 2.20 3.62 -0.24 3.82 1.01 -0.69 0.24 120.40 130.37 3kg6 s VAL 1954Ca 0.68 0.76 0.03 0.00 0.00 0.00 0.00 61.98 63.45 3kg6 s VAL 1954Cb -0.36 -3.49 -0.16 0.00 0.00 0.00 0.00 36.38 32.37 3kg6 s VAL 1954CO 0.29 -0.06 -0.20 0.18 0.00 0.00 0.00 175.10 175.31 3kg6 n LEU 1955N 7.02 2.84 -3.92 3.92 4.77 0.11 -4.73 117.00 127.00 3kg6 n LEU 1955Ca 0.17 -0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 3kg6 n LEU 1955Cb 0.43 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.59 3kg6 n LEU 1955CO 0.62 0.88 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.47 3kg6 s VAL 1956N -2.48 0.39 -0.14 4.08 1.01 -0.77 -0.63 120.40 121.88 3kg6 s VAL 1956Ca -0.31 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.52 3kg6 s VAL 1956Cb 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 36.38 36.11 3kg6 s VAL 1956CO 0.56 0.14 -0.14 -0.70 0.00 0.00 0.00 175.10 174.96 3kg6 s GLU 1957N 0.25 2.21 -0.14 2.72 2.12 0.34 -0.58 118.70 125.62 3kg6 s GLU 1957Ca -0.03 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.79 3kg6 s GLU 1957Cb -0.06 -2.01 0.00 0.00 0.26 0.00 0.00 34.13 32.32 3kg6 s GLU 1957CO -0.00 -0.20 -0.20 -1.17 -0.54 0.00 0.00 175.26 173.15 3kg6 s LEU 1958N 1.38 2.25 -0.15 2.70 0.20 0.96 -0.46 118.68 125.56 3kg6 s LEU 1958Ca 0.02 -0.55 0.01 0.00 0.69 0.00 0.00 54.13 54.30 3kg6 s LEU 1958Cb -0.13 -1.49 0.00 0.00 -0.43 0.00 0.00 46.19 44.14 3kg6 s LEU 1958CO -0.08 0.09 -0.17 -0.70 -0.29 0.00 0.00 176.35 175.19 3kg6 s GLU 1959N 0.78 3.16 -0.50 1.98 2.12 0.72 -0.43 118.70 126.52 3kg6 s GLU 1959Ca -0.07 -0.78 -0.00 0.00 0.36 0.00 0.00 54.97 54.48 3kg6 s GLU 1959Cb -0.16 -2.58 -0.00 0.00 0.26 0.00 0.00 34.13 31.66 3kg6 s GLU 1959CO -0.00 0.00 0.42 0.41 -0.54 0.00 0.00 175.26 175.55 3kg6 n GLY 1960N 4.08 0.10 3.65 -1.50 0.00 -1.07 -1.35 105.19 109.10 3kg6 n GLY 1960Ca -0.19 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3kg6 n GLY 1960CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kg6 s LEU 1961N -3.84 4.15 -0.17 0.99 2.96 0.50 -2.43 118.68 120.85 3kg6 s LEU 1961Ca 0.00 1.82 -0.05 0.00 -0.22 0.00 0.00 54.13 55.68 3kg6 s LEU 1961Cb -0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 3kg6 s LEU 1961CO 0.31 -0.93 0.00 -0.60 -1.32 0.00 0.00 176.35 173.81 3kg6 s ARG 1962N 3.94 3.78 0.16 1.98 3.52 -0.20 -0.92 118.95 131.21 3kg6 s ARG 1962Ca 0.64 -0.46 0.08 0.00 -0.13 0.00 0.00 55.73 55.86 3kg6 s ARG 1962Cb -0.26 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.05 3kg6 s ARG 1962CO 0.23 0.23 -0.07 0.14 -0.81 0.00 0.00 175.30 175.02 3kg6 s VAL 1963N 0.42 3.41 0.04 7.11 -7.23 -0.28 -0.15 120.40 123.73 3kg6 s VAL 1963Ca -0.01 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 3kg6 s VAL 1963Cb -0.14 -2.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 3kg6 s VAL 1963CO 0.02 -0.05 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.93 3kg6 s LYS 1964N -2.70 0.56 0.29 4.82 2.20 0.44 -4.85 119.74 120.50 3kg6 s LYS 1964Ca 0.25 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 3kg6 s LYS 1964Cb -0.10 -0.41 -0.09 0.00 -1.51 0.00 0.00 37.83 35.72 3kg6 s LYS 1964CO 0.16 0.09 1.08 0.54 -0.36 0.00 0.00 175.35 176.85 3kg6 s VAL 1965N -1.11 3.56 0.04 4.02 0.11 -1.26 -0.41 120.40 125.36 3kg6 s VAL 1965Ca -0.06 1.53 0.05 0.00 -2.93 0.00 0.00 61.98 60.56 3kg6 s VAL 1965Cb -0.08 -3.96 -0.02 0.00 -1.53 0.00 0.00 36.38 30.79 3kg6 s VAL 1965CO 0.01 0.33 -0.13 0.42 -3.33 0.00 0.00 175.10 172.39 3kg6 s THR 1966N -1.22 1.05 -2.55 5.04 -4.23 -0.59 -4.91 115.64 108.24 3kg6 s THR 1966Ca 0.46 -1.05 0.20 0.00 -1.18 0.00 0.00 61.69 60.12 3kg6 s THR 1966Cb -0.30 -0.97 0.16 0.00 1.34 0.00 0.00 72.50 72.73 3kg6 s THR 1966CO 0.39 -0.07 1.14 -0.62 -0.54 0.00 0.00 174.62 174.92