#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahs h PHE 1688N 0.00 0.77 -0.63 2.61 3.57 -1.98 -2.66 116.94 118.62 2ahs h PHE 1688Ca 0.00 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.40 2ahs h PHE 1688Cb 0.00 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 2ahs h PHE 1688CO 0.00 0.79 0.37 0.93 -2.23 0.00 0.00 178.31 178.16 2ahs h GLU 1689N 0.53 0.69 -0.43 1.11 5.08 -1.98 0.47 114.58 120.05 2ahs h GLU 1689Ca 0.11 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 2ahs h GLU 1689Cb 0.48 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2ahs h GLU 1689CO 0.02 0.46 -0.25 0.78 -1.00 0.00 0.00 179.01 179.02 2ahs h GLY 1690N 0.71 0.99 0.87 -3.84 0.00 -1.99 -0.10 103.07 99.71 2ahs h GLY 1690Ca 0.26 -0.89 0.01 0.00 0.00 0.00 0.00 47.33 46.71 2ahs h GLY 1690CO -0.13 0.81 -0.07 0.84 0.00 0.00 0.00 176.54 177.99 2ahs h HIS 1691N 0.78 -0.18 -0.74 5.60 -0.00 -1.00 -1.88 115.15 117.73 2ahs h HIS 1691Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 2ahs h HIS 1691Cb 0.81 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.26 2ahs h HIS 1691CO 0.05 -0.11 0.32 0.35 -0.00 0.00 0.00 177.93 178.54 2ahs h PHE 1692N -0.15 1.09 -0.45 5.26 3.57 -0.84 -0.63 116.94 124.79 2ahs h PHE 1692Ca 0.01 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.52 2ahs h PHE 1692Cb 0.16 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 2ahs h PHE 1692CO -0.12 0.81 0.14 0.52 -2.23 0.00 0.00 178.31 177.43 2ahs h MET 1693N 1.06 0.29 -0.64 1.11 2.86 -0.86 -0.87 114.93 117.88 2ahs h MET 1693Ca 0.25 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2ahs h MET 1693Cb 0.16 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2ahs h MET 1693CO -0.03 0.19 0.10 0.87 1.06 0.00 0.00 176.91 179.11 2ahs h LYS 1694N 0.29 1.04 -0.50 1.72 1.57 -1.04 -1.83 116.57 117.82 2ahs h LYS 1694Ca 0.22 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2ahs h LYS 1694Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2ahs h LYS 1694CO -0.24 0.95 0.18 -0.07 -0.57 0.00 0.00 179.45 179.69 2ahs h LEU 1695N 0.97 0.67 0.00 2.94 3.38 -0.77 -3.09 115.31 119.41 2ahs h LEU 1695Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ahs h LEU 1695Cb 0.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ahs h LEU 1695CO 0.01 0.62 -0.36 1.56 0.09 0.00 0.00 178.44 180.36 2ahs h GLN 1696N 0.72 0.00 -6.98 1.13 4.20 -1.01 -2.02 115.11 111.15 2ahs h GLN 1696Ca 0.17 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.32 2ahs h GLN 1696Cb 0.18 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.12 2ahs h GLN 1696CO -0.01 0.00 0.32 0.00 -0.67 0.00 0.00 178.83 178.46 2ahs n ALA 1697N -1.94 0.65 -3.55 3.87 0.00 -0.70 -1.61 120.51 117.23 2ahs n ALA 1697Ca 0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 2ahs n ALA 1697Cb 0.48 -2.22 0.05 0.00 0.00 0.00 0.00 19.45 17.76 2ahs n ALA 1697CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ahs n ASP 1698N -1.40 -2.94 -3.80 0.00 -0.08 -1.26 -2.63 116.55 104.44 2ahs n ASP 1698Ca 0.15 -0.78 -0.27 0.00 -1.51 0.00 0.00 54.79 52.38 2ahs n ASP 1698Cb 0.48 -4.45 0.01 0.00 2.34 0.00 0.00 41.12 39.51 2ahs n ASP 1698CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2ahs n SER 1699N -3.06 -2.49 -1.93 1.67 7.64 -1.22 -2.02 113.62 112.21 2ahs n SER 1699Ca -0.23 -0.98 -0.19 0.00 1.01 0.00 0.00 58.87 58.48 2ahs n SER 1699Cb 0.65 -3.36 -0.04 0.00 -1.01 0.00 0.00 64.21 60.46 2ahs n SER 1699CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2ahs n ASN 1700N -2.87 -5.50 0.07 6.43 4.13 -0.63 -4.93 115.26 111.95 2ahs n ASN 1700Ca -0.22 0.18 -0.13 0.00 1.68 0.00 0.00 54.58 56.10 2ahs n ASN 1700Cb 0.65 -4.61 -0.06 0.00 -1.54 0.00 0.00 39.78 34.22 2ahs n ASN 1700CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 2ahs h TYR 1701N 0.00 -1.00 -0.00 3.10 3.20 -1.16 0.11 116.97 121.22 2ahs h TYR 1701Ca -0.44 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.34 2ahs h TYR 1701Cb 1.31 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 40.01 2ahs h TYR 1701CO 0.53 -0.45 -0.59 -0.07 -1.64 0.00 0.00 178.16 175.94 2ahs h LEU 1702N -0.52 0.01 -0.23 2.82 3.38 -1.77 -1.73 115.31 117.28 2ahs h LEU 1702Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2ahs h LEU 1702Cb 0.60 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2ahs h LEU 1702CO -0.28 0.60 0.12 0.25 0.09 0.00 0.00 178.44 179.22 2ahs h LEU 1703N 0.01 0.29 -0.87 1.67 6.46 -0.74 -1.13 115.31 120.99 2ahs h LEU 1703Ca -0.01 -0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 2ahs h LEU 1703Cb 1.04 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.85 2ahs h LEU 1703CO 0.08 0.31 0.57 0.28 -0.62 0.00 0.00 178.44 179.06 2ahs h SER 1704N 0.25 0.98 -0.29 1.25 0.02 -0.44 -0.96 113.55 114.35 2ahs h SER 1704Ca 0.08 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2ahs h SER 1704Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2ahs h SER 1704CO -0.01 0.70 0.08 0.50 -1.14 0.00 0.00 176.83 176.95 2ahs h LYS 1705N 1.15 0.46 -0.29 3.45 3.64 -1.17 0.11 116.57 123.92 2ahs h LYS 1705Ca 0.33 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 2ahs h LYS 1705Cb -0.10 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2ahs h LYS 1705CO -0.08 0.54 0.17 1.49 -2.27 0.00 0.00 179.45 179.30 2ahs h GLU 1706N 0.31 0.35 -0.94 1.90 4.81 -1.03 -1.87 114.58 118.10 2ahs h GLU 1706Ca 0.09 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2ahs h GLU 1706Cb 0.28 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 2ahs h GLU 1706CO 0.00 0.23 0.62 -0.92 -0.73 0.00 0.00 179.01 178.21 2ahs h TYR 1707N 0.36 1.19 0.00 0.92 3.20 -0.97 -2.35 116.97 119.32 2ahs h TYR 1707Ca 0.11 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2ahs h TYR 1707Cb -0.01 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.85 2ahs h TYR 1707CO -0.07 0.76 -0.32 0.93 -1.64 0.00 0.00 178.16 177.81 2ahs h GLU 1708N 1.28 0.00 0.00 1.82 4.39 -0.66 -2.59 114.58 118.82 2ahs h GLU 1708Ca 0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 2ahs h GLU 1708Cb -0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 2ahs h GLU 1708CO -0.07 0.32 -0.03 0.93 -1.16 0.00 0.00 179.01 179.00 2ahs h GLU 1709N 0.00 0.00 -0.01 2.33 5.08 -0.78 -2.12 114.58 119.08 2ahs h GLU 1709Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ahs h GLU 1709Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2ahs h GLU 1709CO 0.04 0.03 -0.05 1.28 -1.00 0.00 0.00 179.01 179.31 2ahs n LEU 1710N -3.58 0.92 -0.11 1.33 4.77 -0.97 -4.58 117.00 114.78 2ahs n LEU 1710Ca -0.03 -0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 55.66 2ahs n LEU 1710Cb 0.12 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.36 2ahs n LEU 1710CO 0.26 0.16 0.95 0.07 -1.33 0.00 0.00 177.39 177.50 2ahs h LYS 1711N 1.37 0.78 -0.01 3.23 2.10 -1.48 -2.87 116.57 119.69 2ahs h LYS 1711Ca 0.00 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2ahs h LYS 1711Cb 0.36 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2ahs h LYS 1711CO 0.00 0.73 -0.29 -0.25 -2.00 0.00 0.00 179.45 177.64 2ahs n ASP 1712N -4.26 1.56 -4.68 7.07 8.00 -1.26 -4.91 116.55 118.07 2ahs n ASP 1712Ca 0.03 -1.25 -0.44 0.00 0.71 0.00 0.00 54.79 53.84 2ahs n ASP 1712Cb 0.24 0.23 -0.04 0.00 -0.02 0.00 0.00 41.12 41.54 2ahs n ASP 1712CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ahs n VAL 1713N -0.21 0.54 0.00 2.53 0.31 -1.09 -1.98 118.33 118.43 2ahs n VAL 1713Ca 0.12 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2ahs n VAL 1713Cb 0.41 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 2ahs n VAL 1713CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ahs n GLY 1714N 4.33 2.35 0.07 2.92 0.00 -1.26 -4.52 105.19 109.07 2ahs n GLY 1714Ca 0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.37 2ahs n GLY 1714CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ahs n ARG 1715N -2.00 0.93 -0.02 1.61 1.74 -0.84 -2.53 116.66 115.55 2ahs n ARG 1715Ca 0.00 -0.14 0.13 0.00 -0.77 0.00 0.00 57.85 57.07 2ahs n ARG 1715Cb 0.00 -1.50 0.56 0.00 -1.02 0.00 0.00 32.46 30.50 2ahs n ARG 1715CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2ahs n ASN 1716N -0.92 1.16 -4.77 0.55 4.05 -1.26 -4.92 115.26 109.15 2ahs n ASN 1716Ca 0.20 -1.46 -0.38 0.00 0.45 0.00 0.00 54.58 53.39 2ahs n ASN 1716Cb 0.18 -0.03 -0.06 0.00 1.23 0.00 0.00 39.78 41.10 2ahs n ASN 1716CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2ahs s GLN 1717N -1.95 4.65 0.48 1.20 -0.21 -1.05 -5.03 119.66 117.75 2ahs s GLN 1717Ca 0.37 1.31 -0.21 0.00 0.02 0.00 0.00 55.36 56.85 2ahs s GLN 1717Cb 0.20 -3.05 -0.08 0.00 1.00 0.00 0.00 33.01 31.07 2ahs s GLN 1717CO 0.31 0.43 1.09 -1.54 -2.12 0.00 0.00 175.29 173.45 2ahs s SER 1718N -1.39 6.21 -0.33 5.90 1.04 -1.26 -4.92 113.70 118.95 2ahs s SER 1718Ca 0.44 2.08 0.13 0.00 0.48 0.00 0.00 55.95 59.08 2ahs s SER 1718Cb -0.22 -2.58 0.46 0.00 0.10 0.00 0.00 66.02 63.79 2ahs s SER 1718CO 0.27 -0.88 1.09 0.00 0.98 0.00 0.00 173.24 174.70 2ahs h ASP 1720N 2.58 0.82 -0.37 0.00 3.32 -1.94 -2.41 116.42 118.42 2ahs h ASP 1720Ca 0.11 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2ahs h ASP 1720Cb 1.23 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2ahs h ASP 1720CO 0.57 0.84 0.12 0.40 -1.72 0.00 0.00 179.24 179.45 2ahs h ILE 1721N 0.81 1.21 0.00 0.35 1.08 -1.92 -2.50 117.51 116.54 2ahs h ILE 1721Ca 0.17 -0.69 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 2ahs h ILE 1721Cb 0.39 0.96 -0.00 0.00 -3.07 0.00 0.00 36.82 35.10 2ahs h ILE 1721CO 0.01 0.24 -0.05 0.00 -0.69 0.00 0.00 178.15 177.66 2ahs h ALA 1722N 0.96 1.51 -0.00 1.87 0.00 -1.79 -2.60 119.26 119.21 2ahs h ALA 1722Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ahs h ALA 1722Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ahs h ALA 1722CO -0.00 0.06 -0.36 1.28 0.00 0.00 0.00 179.25 180.23 2ahs n LEU 1723N -3.88 0.73 -4.66 0.00 4.77 -0.93 -4.63 117.00 108.39 2ahs n LEU 1723Ca -0.03 -0.11 -0.46 0.00 -0.03 0.00 0.00 56.01 55.39 2ahs n LEU 1723Cb 0.14 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 2ahs n LEU 1723CO 0.29 0.15 1.10 0.18 -1.33 0.00 0.00 177.39 177.78 2ahs n LEU 1724N -1.08 3.00 -0.28 2.23 4.77 -0.97 -4.89 117.00 119.78 2ahs n LEU 1724Ca 0.09 1.11 0.20 0.00 -0.03 0.00 0.00 56.01 57.38 2ahs n LEU 1724Cb 0.34 -1.41 0.50 0.00 -2.33 0.00 0.00 43.42 40.51 2ahs n LEU 1724CO 0.30 -0.42 1.22 -0.65 -1.33 0.00 0.00 177.39 176.51 2ahs h PRO 1725N 5.11 0.42 0.00 3.23 0.11 -1.91 -0.41 132.00 138.55 2ahs h PRO 1725Ca -0.45 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ahs h PRO 1725Cb 1.27 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ahs h PRO 1725CO 0.83 0.28 -0.01 0.93 -0.21 0.00 0.00 178.00 179.82 2ahs h GLU 1726N 0.43 0.00 -0.26 1.05 3.07 -1.95 -2.42 114.58 114.50 2ahs h GLU 1726Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 2ahs h GLU 1726Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2ahs h GLU 1726CO -0.23 0.01 0.00 0.09 -1.40 0.00 0.00 179.01 177.48 2ahs n ASN 1727N -3.17 3.01 -0.25 1.42 3.02 -0.17 -4.66 115.26 114.46 2ahs n ASN 1727Ca -0.02 -1.88 -0.06 0.00 -0.03 0.00 0.00 54.58 52.58 2ahs n ASN 1727Cb 0.13 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 2ahs n ASN 1727CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2ahs h ARG 1728N 3.67 1.04 0.00 3.52 2.43 -1.37 -1.68 114.38 121.99 2ahs h ARG 1728Ca 0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2ahs h ARG 1728Cb 0.84 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2ahs h ARG 1728CO 0.00 0.85 0.00 0.41 -1.51 0.00 0.00 179.97 179.72 2ahs n GLY 1729N -0.89 -0.78 0.47 2.80 0.00 -1.26 -3.29 105.19 102.24 2ahs n GLY 1729Ca 0.05 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2ahs n GLY 1729CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ahs n LYS 1730N -1.17 1.32 -4.00 1.61 5.02 -0.63 -4.86 118.16 115.46 2ahs n LYS 1730Ca 0.11 -0.96 -0.35 0.00 -2.02 0.00 0.00 58.31 55.09 2ahs n LYS 1730Cb 0.11 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 2ahs n LYS 1730CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2ahs s ASN 1731N -2.35 5.07 0.20 4.39 0.01 -1.21 -4.50 114.94 116.56 2ahs s ASN 1731Ca 0.17 -0.15 -0.08 0.00 -0.71 0.00 0.00 52.86 52.10 2ahs s ASN 1731Cb 0.17 -1.88 0.14 0.00 0.41 0.00 0.00 41.25 40.09 2ahs s ASN 1731CO 0.53 0.06 1.70 -0.09 -1.51 0.00 0.00 177.10 177.80 2ahs h ARG 1732N 7.50 1.09 -4.83 -0.60 2.43 -1.89 -3.44 114.38 114.65 2ahs h ARG 1732Ca -0.36 -0.28 -0.54 0.00 -0.81 0.00 0.00 59.98 57.98 2ahs h ARG 1732Cb 1.18 -0.13 -0.33 0.00 -0.42 0.00 0.00 29.97 30.27 2ahs h ARG 1732CO 0.62 0.99 -0.83 0.71 -1.51 0.00 0.00 179.97 179.95 2ahs s TYR 1733N -5.20 1.61 0.44 2.20 2.02 -1.26 -5.04 117.35 112.12 2ahs s TYR 1733Ca -0.12 -0.56 0.11 0.00 -0.37 0.00 0.00 57.07 56.13 2ahs s TYR 1733Cb 0.14 -1.13 0.99 0.00 -0.40 0.00 0.00 41.96 41.57 2ahs s TYR 1733CO 0.85 -0.25 2.07 -0.91 -1.57 0.00 0.00 175.55 175.74 2ahs h ASN 1734N 6.71 0.33 -0.25 2.29 2.35 -1.98 -2.84 115.58 122.20 2ahs h ASN 1734Ca -0.30 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2ahs h ASN 1734Cb 1.19 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2ahs h ASN 1734CO 0.48 0.24 0.00 -0.46 -1.65 0.00 0.00 177.43 176.03 2ahs n ASN 1735N -4.49 3.09 -3.95 5.81 6.94 -1.26 -4.67 115.26 116.73 2ahs n ASN 1735Ca 0.03 -1.95 -0.30 0.00 -0.02 0.00 0.00 54.58 52.33 2ahs n ASN 1735Cb 0.12 -0.15 -0.14 0.00 -2.36 0.00 0.00 39.78 37.25 2ahs n ASN 1735CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2ahs s ILE 1736N -1.69 2.35 0.04 1.53 -1.09 -1.07 -5.07 121.20 116.20 2ahs s ILE 1736Ca 0.35 -2.90 0.06 0.00 -2.23 0.00 0.00 60.65 55.93 2ahs s ILE 1736Cb 0.21 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.40 2ahs s ILE 1736CO 0.31 -0.74 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.36 2ahs s LEU 1737N 0.20 2.16 0.45 2.97 1.43 -1.26 -4.65 118.68 119.97 2ahs s LEU 1737Ca 0.15 -0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 2ahs s LEU 1737Cb -0.23 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 2ahs s LEU 1737CO -0.03 0.08 1.04 -2.16 0.23 0.00 0.00 176.35 175.51 2ahs s PRO 1738N -1.09 3.95 0.32 1.29 0.04 -1.26 -4.67 135.00 133.58 2ahs s PRO 1738Ca 0.04 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 2ahs s PRO 1738Cb -0.08 -2.25 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 2ahs s PRO 1738CO 0.01 -0.31 1.22 0.71 0.04 0.00 0.00 177.00 178.68 2ahs s TYR 1739N -1.88 3.25 0.30 0.56 2.02 -1.26 -4.60 117.35 115.73 2ahs s TYR 1739Ca 0.64 1.53 0.05 0.00 -0.37 0.00 0.00 57.07 58.92 2ahs s TYR 1739Cb -0.18 -3.52 0.74 0.00 -0.40 0.00 0.00 41.96 38.60 2ahs s TYR 1739CO 0.22 -1.34 1.76 -0.44 -1.57 0.00 0.00 175.55 174.17 2ahs h ASP 1740N 3.50 0.68 0.58 2.29 3.32 -1.49 -1.09 116.42 124.22 2ahs h ASP 1740Ca -0.48 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2ahs h ASP 1740Cb 1.22 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 2ahs h ASP 1740CO 0.66 0.21 -0.07 0.00 -1.72 0.00 0.00 179.24 178.31 2ahs h ALA 1741N 1.66 1.10 0.00 3.45 0.00 -1.93 -3.32 119.26 120.22 2ahs h ALA 1741Ca 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2ahs h ALA 1741Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2ahs h ALA 1741CO -0.41 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.18 2ahs n THR 1742N -3.32 0.23 -2.11 0.00 -2.24 -0.90 -5.07 114.28 100.87 2ahs n THR 1742Ca -0.01 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 61.03 2ahs n THR 1742Cb 0.25 1.15 0.02 0.00 -2.10 0.00 0.00 70.33 69.66 2ahs n THR 1742CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ahs s ARG 1743N -0.23 3.12 -0.11 -0.78 1.70 -0.46 -0.62 118.95 121.57 2ahs s ARG 1743Ca 0.00 1.74 -0.24 0.00 -0.47 0.00 0.00 55.73 56.76 2ahs s ARG 1743Cb 0.00 -1.96 -0.03 0.00 -0.57 0.00 0.00 34.95 32.39 2ahs s ARG 1743CO 0.00 -1.07 0.76 0.08 -1.08 0.00 0.00 175.30 173.99 2ahs s VAL 1744N -1.67 4.97 -0.13 4.99 1.01 -0.17 -4.76 120.40 124.66 2ahs s VAL 1744Ca 0.76 1.53 -0.10 0.00 0.00 0.00 0.00 61.98 64.16 2ahs s VAL 1744Cb -0.28 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2ahs s VAL 1744CO 0.31 0.15 0.21 -0.54 0.00 0.00 0.00 175.10 175.23 2ahs s LYS 1745N 1.40 3.84 0.28 2.72 1.02 -1.26 -4.18 119.74 123.55 2ahs s LYS 1745Ca 0.38 -0.02 -0.13 0.00 0.02 0.00 0.00 55.97 56.22 2ahs s LYS 1745Cb -0.17 -3.29 -0.08 0.00 -0.52 0.00 0.00 37.83 33.76 2ahs s LYS 1745CO 0.16 0.55 0.66 -0.51 -0.92 0.00 0.00 175.35 175.30 2ahs s LEU 1746N -0.43 4.13 0.33 3.17 1.43 0.86 -5.02 118.68 123.14 2ahs s LEU 1746Ca 0.15 1.15 -0.28 0.00 -1.03 0.00 0.00 54.13 54.12 2ahs s LEU 1746Cb -0.13 -3.88 -0.13 0.00 0.03 0.00 0.00 46.19 42.09 2ahs s LEU 1746CO 0.04 -0.13 1.28 -1.54 0.23 0.00 0.00 176.35 176.23 2ahs n SER 1747N -0.17 2.65 -4.75 2.29 3.41 -1.26 -4.17 113.62 111.62 2ahs n SER 1747Ca 0.02 1.20 -0.41 0.00 -0.26 0.00 0.00 58.87 59.42 2ahs n SER 1747Cb 0.53 -1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 62.98 2ahs n SER 1747CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2ahs s ASN 1748N -0.28 7.08 -0.29 4.04 -0.87 -1.26 -4.54 114.94 118.82 2ahs s ASN 1748Ca 0.57 2.35 -0.09 0.00 -1.57 0.00 0.00 52.86 54.12 2ahs s ASN 1748Cb -0.59 -2.62 -0.01 0.00 -0.02 0.00 0.00 41.25 38.01 2ahs s ASN 1748CO 0.61 -0.33 0.12 -0.69 -2.57 0.00 0.00 177.10 174.24 2ahs s VAL 1749N -0.67 4.45 0.23 1.60 1.01 -1.26 -5.04 120.40 120.72 2ahs s VAL 1749Ca 0.49 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 2ahs s VAL 1749Cb -0.34 -3.22 -0.16 0.00 0.00 0.00 0.00 36.38 32.66 2ahs s VAL 1749CO 0.42 0.15 0.65 -0.90 0.00 0.00 0.00 175.10 175.41 2ahs n ASP 1750N 4.95 -0.58 0.00 3.32 5.68 -1.26 -1.82 116.55 126.84 2ahs n ASP 1750Ca -0.15 1.14 0.00 0.00 -0.50 0.00 0.00 54.79 55.28 2ahs n ASP 1750Cb 0.50 -1.04 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 2ahs n ASP 1750CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2ahs n ASP 1751N 1.79 0.00 -3.75 -1.12 3.85 -1.26 -5.00 116.55 111.07 2ahs n ASP 1751Ca 0.16 0.00 -0.30 0.00 -0.71 0.00 0.00 54.79 53.94 2ahs n ASP 1751Cb 0.27 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 39.89 2ahs n ASP 1751CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2ahs s ASP 1752N -3.02 4.01 0.43 -1.12 2.15 -0.76 -5.00 116.67 113.36 2ahs s ASP 1752Ca 0.00 -1.86 0.21 0.00 0.43 0.00 0.00 52.55 51.33 2ahs s ASP 1752Cb 0.00 -0.95 0.99 0.00 -0.30 0.00 0.00 42.92 42.66 2ahs s ASP 1752CO 0.00 -0.39 1.89 1.55 -0.17 0.00 0.00 175.17 178.05 2ahs h PRO 1753N 7.80 0.00 -0.15 4.34 0.13 -1.95 -2.60 132.00 139.57 2ahs h PRO 1753Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2ahs h PRO 1753Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ahs h PRO 1753CO 0.47 0.27 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 2ahs n SER 1755N -0.05 0.00 0.00 0.00 3.41 -0.98 -2.75 113.62 113.25 2ahs n SER 1755Ca 0.10 0.45 0.14 0.00 -0.26 0.00 0.00 58.87 59.30 2ahs n SER 1755Cb 0.18 -0.48 0.80 0.00 -0.26 0.00 0.00 64.21 64.45 2ahs n SER 1755CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2ahs n ASP 1756N -1.48 0.00 -4.74 4.04 5.68 -1.25 -4.68 116.55 114.13 2ahs n ASP 1756Ca 0.05 -0.57 -0.37 0.00 -0.50 0.00 0.00 54.79 53.41 2ahs n ASP 1756Cb 0.23 -0.12 -0.07 0.00 -1.14 0.00 0.00 41.12 40.02 2ahs n ASP 1756CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2ahs s TYR 1757N -2.24 3.48 -0.00 2.11 5.04 -1.11 -0.10 117.35 124.53 2ahs s TYR 1757Ca 0.36 0.65 -0.02 0.00 -2.44 0.00 0.00 57.07 55.63 2ahs s TYR 1757Cb 0.20 -2.36 -0.01 0.00 0.35 0.00 0.00 41.96 40.14 2ahs s TYR 1757CO 0.38 0.26 0.03 -1.50 -1.34 0.00 0.00 175.55 173.37 2ahs s ILE 1758N 0.38 0.05 -1.03 3.14 2.07 -1.26 -4.89 121.20 119.67 2ahs s ILE 1758Ca 0.18 -0.44 -0.23 0.00 -1.41 0.00 0.00 60.65 58.75 2ahs s ILE 1758Cb -0.13 -0.19 0.02 0.00 0.13 0.00 0.00 42.46 42.28 2ahs s ILE 1758CO 0.05 -0.24 1.65 0.21 -1.91 0.00 0.00 174.94 174.70 2ahs s ASN 1759N -0.73 6.07 -0.18 4.50 3.84 -1.26 -4.66 114.94 122.51 2ahs s ASN 1759Ca -0.08 -1.36 -0.27 0.00 0.21 0.00 0.00 52.86 51.36 2ahs s ASN 1759Cb -0.05 -2.57 0.07 0.00 -0.55 0.00 0.00 41.25 38.15 2ahs s ASN 1759CO -0.00 -1.91 0.72 0.00 -2.79 0.00 0.00 177.10 173.12 2ahs s ALA 1760N 6.68 -1.78 0.01 1.71 0.00 -1.26 -3.17 121.76 123.94 2ahs s ALA 1760Ca 0.55 1.75 0.03 0.00 0.00 0.00 0.00 51.96 54.28 2ahs s ALA 1760Cb -0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2ahs s ALA 1760CO -0.04 -0.35 -0.09 -1.12 0.00 0.00 0.00 175.76 174.16 2ahs s SER 1761N -0.25 1.04 0.32 0.00 0.01 -0.12 -0.99 113.70 113.70 2ahs s SER 1761Ca -0.04 -0.26 -0.27 0.00 1.31 0.00 0.00 55.95 56.69 2ahs s SER 1761Cb -0.03 -0.08 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 2ahs s SER 1761CO 0.04 0.04 0.98 -0.31 0.41 0.00 0.00 173.24 174.41 2ahs s TYR 1762N -0.48 3.66 -0.02 2.43 2.02 0.21 -0.91 117.35 124.25 2ahs s TYR 1762Ca 0.01 1.77 0.01 0.00 -0.37 0.00 0.00 57.07 58.49 2ahs s TYR 1762Cb -0.05 -3.02 0.02 0.00 -0.40 0.00 0.00 41.96 38.51 2ahs s TYR 1762CO 0.00 0.01 -0.01 0.42 -1.57 0.00 0.00 175.55 174.40 2ahs s ILE 1763N -1.48 0.23 0.60 2.71 -1.09 0.01 -4.86 121.20 117.31 2ahs s ILE 1763Ca 0.49 0.01 -0.14 0.00 -2.23 0.00 0.00 60.65 58.79 2ahs s ILE 1763Cb -0.22 -0.29 -0.04 0.00 -1.58 0.00 0.00 42.46 40.32 2ahs s ILE 1763CO 0.28 0.14 1.03 -2.84 -1.23 0.00 0.00 174.94 172.31 2ahs s PRO 1764N 0.75 3.53 0.00 2.79 0.02 -1.06 -1.24 135.00 139.80 2ahs s PRO 1764Ca -0.08 0.94 0.00 0.00 0.02 0.00 0.00 61.00 61.88 2ahs s PRO 1764Cb -0.11 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.34 2ahs s PRO 1764CO -0.01 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 2ahs n GLY 1765N -1.90 6.75 0.21 0.52 0.00 -0.62 -4.80 105.19 105.36 2ahs n GLY 1765Ca 0.07 -1.78 0.05 0.00 0.00 0.00 0.00 46.02 44.36 2ahs n GLY 1765CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2ahs h ASN 1766N 0.00 0.00 0.00 1.61 2.35 -1.97 -3.35 115.58 114.21 2ahs h ASN 1766Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2ahs h ASN 1766Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2ahs h ASN 1766CO 0.00 0.27 -1.94 0.59 -1.65 0.00 0.00 177.43 174.70 2ahs n ASN 1767N -4.10 2.28 -3.99 5.81 3.02 -1.26 -5.04 115.26 111.99 2ahs n ASN 1767Ca -0.02 -0.05 -0.09 0.00 -0.03 0.00 0.00 54.58 54.39 2ahs n ASN 1767Cb 0.33 0.19 -0.11 0.00 -0.61 0.00 0.00 39.78 39.58 2ahs n ASN 1767CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2ahs s PHE 1768N -2.33 0.29 0.26 3.10 0.08 -1.26 -5.05 117.98 113.06 2ahs s PHE 1768Ca -0.16 -0.57 0.01 0.00 0.12 0.00 0.00 56.93 56.33 2ahs s PHE 1768Cb 0.05 -0.21 0.33 0.00 -0.57 0.00 0.00 43.02 42.62 2ahs s PHE 1768CO 0.45 -0.20 1.66 0.00 -0.10 0.00 0.00 175.22 177.03 2ahs h ARG 1769N 4.52 0.49 -2.27 0.44 2.47 -1.90 -1.63 114.38 116.50 2ahs h ARG 1769Ca -0.32 -0.22 -0.62 0.00 -1.26 0.00 0.00 59.98 57.56 2ahs h ARG 1769Cb 1.20 -0.01 -0.41 0.00 -1.65 0.00 0.00 29.97 29.11 2ahs h ARG 1769CO 0.43 0.76 -0.46 0.54 0.56 0.00 0.00 179.97 181.81 2ahs n ARG 1770N -4.07 2.99 0.08 0.04 1.74 -1.26 -2.56 116.66 113.62 2ahs n ARG 1770Ca -0.01 -4.73 -0.11 0.00 -0.77 0.00 0.00 57.85 52.23 2ahs n ARG 1770Cb 0.46 -2.28 -0.12 0.00 -1.02 0.00 0.00 32.46 29.50 2ahs n ARG 1770CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2ahs h GLU 1771N 3.89 0.12 -5.18 5.56 4.81 -1.24 -3.38 114.58 119.16 2ahs h GLU 1771Ca 0.19 -0.20 -0.36 0.00 -0.13 0.00 0.00 59.36 58.86 2ahs h GLU 1771Cb 0.60 0.07 -0.17 0.00 0.63 0.00 0.00 28.75 29.88 2ahs h GLU 1771CO 0.88 1.09 -0.73 0.71 -0.73 0.00 0.00 179.01 180.22 2ahs s TYR 1772N -2.71 1.28 -0.15 0.92 2.02 -0.37 -1.60 117.35 116.73 2ahs s TYR 1772Ca -0.01 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.05 2ahs s TYR 1772Cb 0.09 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.99 2ahs s TYR 1772CO 0.85 0.10 -0.20 0.42 -1.57 0.00 0.00 175.55 175.14 2ahs s ILE 1773N -2.70 2.18 -0.01 2.71 1.01 -0.31 -0.81 121.20 123.27 2ahs s ILE 1773Ca 0.12 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.84 2ahs s ILE 1773Cb -0.01 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2ahs s ILE 1773CO 0.02 0.54 -0.01 0.68 0.00 0.00 0.00 174.94 176.17 2ahs s VAL 1774N 0.86 4.09 0.21 2.92 -7.23 -0.09 -0.96 120.40 120.20 2ahs s VAL 1774Ca -0.06 -0.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.46 2ahs s VAL 1774Cb -0.15 -2.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2ahs s VAL 1774CO -0.02 0.42 0.32 0.28 -0.31 0.00 0.00 175.10 175.78 2ahs s THR 1775N -1.04 0.02 0.67 5.32 -1.32 -0.94 -0.95 115.64 117.40 2ahs s THR 1775Ca 0.18 -1.59 -0.11 0.00 -1.21 0.00 0.00 61.69 58.96 2ahs s THR 1775Cb -0.11 -2.20 -0.01 0.00 -1.51 0.00 0.00 72.50 68.67 2ahs s THR 1775CO 0.08 -0.08 1.05 0.00 -2.21 0.00 0.00 174.62 173.46 2ahs s GLN 1776N -4.05 3.18 -0.01 7.08 -2.07 -1.19 -3.47 119.66 119.12 2ahs s GLN 1776Ca 0.26 0.90 -0.33 0.00 -1.82 0.00 0.00 55.36 54.37 2ahs s GLN 1776Cb 0.03 -2.02 -0.11 0.00 -1.09 0.00 0.00 33.01 29.82 2ahs s GLN 1776CO 0.07 -0.91 1.89 0.41 -1.32 0.00 0.00 175.29 175.44 2ahs n GLY 1777N -2.19 1.59 3.70 2.60 0.00 0.46 -4.86 105.19 106.49 2ahs n GLY 1777Ca 0.07 0.82 -0.38 0.00 0.00 0.00 0.00 46.02 46.53 2ahs n GLY 1777CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ahs n PRO 1778N 6.62 1.29 -3.41 1.61 -0.02 -1.26 -4.72 135.00 135.12 2ahs n PRO 1778Ca 0.21 0.49 -0.24 0.00 -2.02 0.00 0.00 63.50 61.94 2ahs n PRO 1778Cb 0.34 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 2ahs n PRO 1778CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ahs s LEU 1779N -3.33 4.03 0.30 2.45 1.43 -1.26 -2.08 118.68 120.21 2ahs s LEU 1779Ca 0.76 0.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.35 2ahs s LEU 1779Cb -0.41 -3.29 0.81 0.00 0.03 0.00 0.00 46.19 43.33 2ahs s LEU 1779CO 0.46 -0.29 1.66 -0.65 0.23 0.00 0.00 176.35 177.77 2ahs h PRO 1780N 0.77 0.28 -0.00 1.29 0.11 -1.97 0.16 132.00 132.65 2ahs h PRO 1780Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ahs h PRO 1780Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2ahs h PRO 1780CO 0.61 0.19 -0.04 0.41 -0.21 0.00 0.00 178.00 178.97 2ahs n GLY 1781N -1.35 -1.22 0.20 -0.55 0.00 -1.26 -3.57 105.19 97.44 2ahs n GLY 1781Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 46.11 2ahs n GLY 1781CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ahs n THR 1782N -1.23 0.36 -0.01 2.61 -2.24 -0.04 -4.74 114.28 108.98 2ahs n THR 1782Ca 0.14 -0.68 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 2ahs n THR 1782Cb 0.26 0.88 0.14 0.00 -2.10 0.00 0.00 70.33 69.51 2ahs n THR 1782CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2ahs h LYS 1783N 0.82 0.57 -0.41 -0.78 2.10 -1.39 -0.15 116.57 117.33 2ahs h LYS 1783Ca 0.00 -0.24 -0.11 0.00 -2.00 0.00 0.00 60.65 58.30 2ahs h LYS 1783Cb 0.33 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2ahs h LYS 1783CO 0.00 0.80 -0.18 -0.44 -2.00 0.00 0.00 179.45 177.63 2ahs h ASP 1784N 0.49 0.80 -0.38 7.07 3.32 -1.85 -2.24 116.42 123.62 2ahs h ASP 1784Ca 0.06 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2ahs h ASP 1784Cb 0.77 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2ahs h ASP 1784CO 0.06 0.97 0.23 0.44 -1.72 0.00 0.00 179.24 179.22 2ahs h ASP 1785N 0.70 0.46 -0.19 6.45 3.32 -1.74 -0.72 116.42 124.70 2ahs h ASP 1785Ca 0.10 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.14 2ahs h ASP 1785Cb 0.69 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 2ahs h ASP 1785CO 0.05 0.39 -0.11 0.15 -1.72 0.00 0.00 179.24 178.00 2ahs h PHE 1786N 0.50 -0.26 -0.23 4.55 3.57 -0.89 0.53 116.94 124.71 2ahs h PHE 1786Ca 0.14 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2ahs h PHE 1786Cb 0.01 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2ahs h PHE 1786CO -0.03 -0.16 -0.29 -1.49 -2.23 0.00 0.00 178.31 174.10 2ahs h TRP 1787N -0.09 0.52 -0.25 0.41 4.06 -1.31 -0.92 115.95 118.37 2ahs h TRP 1787Ca 0.11 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.95 2ahs h TRP 1787Cb 0.25 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.28 2ahs h TRP 1787CO -0.26 0.71 0.16 -0.22 -3.56 0.00 0.00 178.44 175.26 2ahs h LYS 1788N 0.40 0.31 -0.56 0.49 3.64 -0.80 -0.59 116.57 119.46 2ahs h LYS 1788Ca 0.05 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2ahs h LYS 1788Cb 0.72 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 2ahs h LYS 1788CO 0.05 0.21 0.29 1.98 -2.27 0.00 0.00 179.45 179.71 2ahs h MET 1789N 0.32 0.53 -0.45 1.90 4.05 -0.66 0.32 114.93 120.95 2ahs h MET 1789Ca 0.09 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.50 2ahs h MET 1789Cb -0.02 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 2ahs h MET 1789CO -0.03 0.35 0.27 0.28 0.23 0.00 0.00 176.91 178.01 2ahs h VAL 1790N 0.54 1.07 0.55 -5.77 2.07 -0.81 -0.05 116.25 113.85 2ahs h VAL 1790Ca 0.25 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 2ahs h VAL 1790Cb 0.17 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2ahs h VAL 1790CO -0.18 0.10 -0.27 -0.25 0.02 0.00 0.00 177.57 176.99 2ahs h TRP 1791N 0.55 -0.69 0.00 1.57 2.91 -0.91 -1.33 115.95 118.05 2ahs h TRP 1791Ca 0.17 -0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.11 2ahs h TRP 1791Cb -0.01 0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 2ahs h TRP 1791CO -0.06 -0.40 -0.33 0.93 -1.03 0.00 0.00 178.44 177.55 2ahs h GLU 1792N -0.83 0.00 -0.34 2.65 5.08 -0.80 -2.60 114.58 117.74 2ahs h GLU 1792Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2ahs h GLU 1792Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2ahs h GLU 1792CO 0.12 0.33 0.00 1.04 -1.00 0.00 0.00 179.01 179.51 2ahs n GLN 1793N -4.12 1.96 -3.58 2.33 1.13 -0.04 -4.92 117.38 110.13 2ahs n GLN 1793Ca -0.02 -1.48 -0.25 0.00 -1.94 0.00 0.00 57.00 53.31 2ahs n GLN 1793Cb 0.37 -1.37 0.06 0.00 0.11 0.00 0.00 30.24 29.41 2ahs n GLN 1793CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2ahs n ASN 1794N 0.69 -6.06 -4.70 1.08 5.15 -0.98 -4.03 115.26 106.41 2ahs n ASN 1794Ca 0.16 -0.55 -0.42 0.00 -0.60 0.00 0.00 54.58 53.16 2ahs n ASN 1794Cb 0.38 -4.79 -0.03 0.00 -0.53 0.00 0.00 39.78 34.81 2ahs n ASN 1794CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2ahs s VAL 1795N -3.29 4.27 -0.35 3.44 1.01 -0.52 0.28 120.40 125.25 2ahs s VAL 1795Ca 0.57 1.62 0.11 0.00 0.00 0.00 0.00 61.98 64.27 2ahs s VAL 1795Cb -0.26 -4.04 -0.14 0.00 0.00 0.00 0.00 36.38 31.95 2ahs s VAL 1795CO 0.70 0.07 0.39 1.41 0.00 0.00 0.00 175.10 177.68 2ahs n HIS 1796N 4.44 0.00 -3.94 5.22 8.25 -1.26 -4.85 115.22 123.08 2ahs n HIS 1796Ca 0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 2ahs n HIS 1796Cb 0.47 -0.08 -0.16 0.00 1.12 0.00 0.00 29.99 31.34 2ahs n HIS 1796CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2ahs s ASN 1797N -2.43 0.42 -0.08 0.41 0.01 -1.26 -1.31 114.94 110.71 2ahs s ASN 1797Ca 0.01 -0.03 0.04 0.00 -0.71 0.00 0.00 52.86 52.18 2ahs s ASN 1797Cb 0.08 -0.23 -0.00 0.00 0.41 0.00 0.00 41.25 41.51 2ahs s ASN 1797CO 0.45 -0.10 -0.22 -0.63 -1.51 0.00 0.00 177.10 175.10 2ahs s ILE 1798N 0.99 1.87 -0.14 0.60 1.01 0.05 -1.64 121.20 123.94 2ahs s ILE 1798Ca -0.10 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.63 2ahs s ILE 1798Cb -0.14 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 2ahs s ILE 1798CO -0.02 0.52 -0.17 -0.69 0.00 0.00 0.00 174.94 174.59 2ahs s VAL 1799N 0.20 2.60 -0.20 2.92 1.01 0.13 -0.70 120.40 126.35 2ahs s VAL 1799Ca -0.12 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2ahs s VAL 1799Cb -0.16 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.19 2ahs s VAL 1799CO 0.06 0.53 -0.09 -0.32 0.00 0.00 0.00 175.10 175.28 2ahs s MET 1800N 0.61 1.94 -0.61 2.72 0.00 -0.07 -0.66 119.30 123.23 2ahs s MET 1800Ca -0.09 -0.86 0.02 0.00 0.00 0.00 0.00 55.69 54.76 2ahs s MET 1800Cb -0.16 -2.43 0.39 0.00 0.00 0.00 0.00 34.83 32.63 2ahs s MET 1800CO 0.03 -0.46 1.48 0.28 0.00 0.00 0.00 175.02 176.36 2ahs n VAL 1801N 4.69 2.90 -3.46 10.11 0.31 0.21 -0.93 118.33 132.16 2ahs n VAL 1801Ca -0.14 -4.70 -0.14 0.00 -0.01 0.00 0.00 64.34 59.35 2ahs n VAL 1801Cb 0.46 -1.26 -0.03 0.00 -0.91 0.00 0.00 33.84 32.10 2ahs n VAL 1801CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2ahs s THR 1802N -5.34 0.00 0.37 2.52 -1.32 -1.24 -4.75 115.64 105.89 2ahs s THR 1802Ca 0.50 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.89 2ahs s THR 1802Cb 0.41 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.34 2ahs s THR 1802CO -0.28 0.00 0.71 -1.10 -2.21 0.00 0.00 174.62 171.74 2ahs s GLN 1803N -2.87 3.74 0.25 7.08 -0.21 -1.26 -4.80 119.66 121.59 2ahs s GLN 1803Ca -0.03 0.34 -0.05 0.00 0.02 0.00 0.00 55.36 55.65 2ahs s GLN 1803Cb -0.01 -2.46 0.33 0.00 1.00 0.00 0.00 33.01 31.87 2ahs s GLN 1803CO -0.05 0.03 1.89 0.00 -2.12 0.00 0.00 175.29 175.05 2ahs s VAL 1805N -6.08 1.36 -0.03 0.00 1.01 -1.26 0.39 120.40 115.79 2ahs s VAL 1805Ca -0.13 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.25 2ahs s VAL 1805Cb 0.19 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.37 2ahs s VAL 1805CO 0.81 0.40 -0.04 -1.61 0.00 0.00 0.00 175.10 174.66 2ahs s GLU 1806N 0.56 0.66 -1.60 2.72 2.02 -0.40 -4.83 118.70 117.83 2ahs s GLU 1806Ca -0.15 -0.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.62 2ahs s GLU 1806Cb -0.16 -0.68 0.09 0.00 0.10 0.00 0.00 34.13 33.48 2ahs s GLU 1806CO 0.05 -0.03 0.56 1.63 0.02 0.00 0.00 175.26 177.50 2ahs n LYS 1807N 3.73 -2.79 -0.94 1.61 5.02 -1.26 -0.29 118.16 123.24 2ahs n LYS 1807Ca -0.22 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2ahs n LYS 1807Cb 0.53 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 30.82 2ahs n LYS 1807CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ahs n GLY 1808N -1.71 0.31 3.51 0.72 0.00 -1.26 -5.00 105.19 101.76 2ahs n GLY 1808Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2ahs n GLY 1808CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ahs s ARG 1809N -0.88 3.03 -0.06 1.61 0.52 0.60 -5.08 118.95 118.69 2ahs s ARG 1809Ca 0.00 -0.59 -0.30 0.00 -0.52 0.00 0.00 55.73 54.32 2ahs s ARG 1809Cb 0.00 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 2ahs s ARG 1809CO 0.00 0.48 1.44 0.08 0.02 0.00 0.00 175.30 177.32 2ahs s VAL 1810N -0.33 3.82 -0.09 3.52 1.01 -1.26 -1.28 120.40 125.79 2ahs s VAL 1810Ca 0.04 1.10 0.11 0.00 0.00 0.00 0.00 61.98 63.23 2ahs s VAL 1810Cb -0.13 -3.71 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 2ahs s VAL 1810CO 0.02 -0.05 0.11 0.29 0.00 0.00 0.00 175.10 175.47 2ahs n LYS 1811N 6.16 1.59 -3.58 2.72 4.76 0.16 -4.97 118.16 125.00 2ahs n LYS 1811Ca 0.14 -0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.40 2ahs n LYS 1811Cb 0.44 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 2ahs n LYS 1811CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ahs s ASP 1813N -0.43 6.52 -1.04 0.00 2.15 -0.89 -4.48 116.67 118.51 2ahs s ASP 1813Ca -0.04 1.92 -0.23 0.00 0.43 0.00 0.00 52.55 54.63 2ahs s ASP 1813Cb -0.03 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 40.04 2ahs s ASP 1813CO 0.03 -0.66 1.68 -2.28 -0.17 0.00 0.00 175.17 173.78 2ahs s HIS 1814N -1.94 2.30 -2.36 -5.34 5.65 -1.26 -4.79 115.29 107.55 2ahs s HIS 1814Ca 0.64 -0.39 0.24 0.00 0.25 0.00 0.00 55.06 55.81 2ahs s HIS 1814Cb -0.17 -4.45 0.90 0.00 -1.18 0.00 0.00 32.58 27.69 2ahs s HIS 1814CO 0.21 -1.80 1.64 2.48 -0.65 0.00 0.00 174.74 176.62 2ahs n TYR 1815N 10.85 0.12 -4.46 3.88 0.18 -1.26 -4.87 117.16 121.59 2ahs n TYR 1815Ca 0.38 -0.06 -0.23 0.00 1.88 0.00 0.00 57.90 59.88 2ahs n TYR 1815Cb 0.49 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.35 2ahs n TYR 1815CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2ahs s TRP 1816N -1.88 2.16 0.37 -3.48 -2.14 -1.26 -5.04 118.94 107.66 2ahs s TRP 1816Ca 0.35 -0.47 -0.26 0.00 2.66 0.00 0.00 56.10 58.38 2ahs s TRP 1816Cb 0.19 -1.06 -0.12 0.00 -3.10 0.00 0.00 33.47 29.38 2ahs s TRP 1816CO 0.29 0.56 1.00 -2.30 -2.66 0.00 0.00 176.95 173.84 2ahs n PRO 1817N -0.61 1.37 0.12 3.25 -0.02 -1.26 -4.94 135.00 132.91 2ahs n PRO 1817Ca -0.06 0.49 -0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2ahs n PRO 1817Cb 0.61 -1.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.15 2ahs n PRO 1817CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ahs h ALA 1818N 1.74 0.61 -3.16 3.55 0.00 -1.95 -3.48 119.26 116.57 2ahs h ALA 1818Ca -0.43 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2ahs h ALA 1818Cb 1.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ahs h ALA 1818CO 0.58 0.80 0.00 -0.40 0.00 0.00 0.00 179.25 180.24 2ahs n ASP 1819N -3.31 0.34 -0.28 0.00 5.68 -1.26 -5.05 116.55 112.67 2ahs n ASP 1819Ca 0.01 -0.95 0.15 0.00 -0.50 0.00 0.00 54.79 53.50 2ahs n ASP 1819Cb 0.77 0.00 0.70 0.00 -1.14 0.00 0.00 41.12 41.45 2ahs n ASP 1819CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 2ahs n GLN 1820N 0.00 1.39 -2.82 0.11 0.00 -1.26 -4.33 117.38 110.47 2ahs n GLN 1820Ca 0.00 -0.56 -0.40 0.00 -0.00 0.00 0.00 57.00 56.04 2ahs n GLN 1820Cb 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 30.24 28.70 2ahs n GLN 1820CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2ahs s ASP 1821N -1.99 7.54 0.47 1.69 1.01 -1.26 -4.59 116.67 119.54 2ahs s ASP 1821Ca 0.42 1.82 -0.16 0.00 0.71 0.00 0.00 52.55 55.34 2ahs s ASP 1821Cb 0.21 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.49 2ahs s ASP 1821CO 0.35 0.14 0.92 -0.94 0.21 0.00 0.00 175.17 175.85 2ahs s SER 1822N -0.96 6.66 -0.02 0.27 1.04 -1.26 -4.70 113.70 114.73 2ahs s SER 1822Ca 0.40 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 58.29 2ahs s SER 1822Cb -0.25 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2ahs s SER 1822CO 0.30 -0.49 0.08 -0.76 0.98 0.00 0.00 173.24 173.34 2ahs s LEU 1823N -3.82 1.73 -0.16 2.42 1.43 0.22 -4.97 118.68 115.53 2ahs s LEU 1823Ca 0.58 0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2ahs s LEU 1823Cb -0.10 0.34 -0.04 0.00 0.03 0.00 0.00 46.19 46.42 2ahs s LEU 1823CO 0.27 -0.14 0.34 -0.31 0.23 0.00 0.00 176.35 176.75 2ahs s TYR 1824N -0.45 3.45 -0.42 0.29 4.12 -1.26 0.17 117.35 123.24 2ahs s TYR 1824Ca -0.05 0.64 -0.05 0.00 0.02 0.00 0.00 57.07 57.63 2ahs s TYR 1824Cb -0.03 -2.41 0.11 0.00 -1.52 0.00 0.00 41.96 38.11 2ahs s TYR 1824CO 0.00 0.17 0.24 0.71 0.02 0.00 0.00 175.55 176.70 2ahs s TYR 1825N 0.68 3.54 0.00 2.71 2.02 0.04 -4.95 117.35 121.39 2ahs s TYR 1825Ca 0.18 -2.26 0.00 0.00 -0.37 0.00 0.00 57.07 54.62 2ahs s TYR 1825Cb -0.14 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.14 2ahs s TYR 1825CO 0.06 -0.98 0.00 0.41 -1.57 0.00 0.00 175.55 173.47 2ahs n GLY 1826N 4.68 3.25 1.43 0.71 0.00 -1.26 -2.34 105.19 111.66 2ahs n GLY 1826Ca -0.04 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.94 2ahs n GLY 1826CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ahs n ASP 1827N 7.58 4.35 -4.67 1.61 8.00 -1.26 -4.93 116.55 127.23 2ahs n ASP 1827Ca 0.00 -2.28 -0.35 0.00 0.71 0.00 0.00 54.79 52.87 2ahs n ASP 1827Cb 0.00 -0.53 -0.09 0.00 -0.02 0.00 0.00 41.12 40.48 2ahs n ASP 1827CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ahs s LEU 1828N -1.52 3.69 -0.19 0.64 1.43 -0.99 -1.74 118.68 119.99 2ahs s LEU 1828Ca 0.48 0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.63 2ahs s LEU 1828Cb 0.29 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 2ahs s LEU 1828CO 0.27 0.31 0.10 -0.63 0.23 0.00 0.00 176.35 176.64 2ahs s ILE 1829N -0.49 5.18 -0.05 -0.59 1.01 0.16 -0.78 121.20 125.64 2ahs s ILE 1829Ca 0.09 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.88 2ahs s ILE 1829Cb -0.12 -3.35 0.01 0.00 0.01 0.00 0.00 42.46 39.00 2ahs s ILE 1829CO 0.02 0.45 -0.14 -0.22 0.00 0.00 0.00 174.94 175.06 2ahs s LEU 1830N 0.33 1.77 -0.03 2.97 0.20 0.13 -1.75 118.68 122.29 2ahs s LEU 1830Ca 0.06 -0.31 -0.00 0.00 0.69 0.00 0.00 54.13 54.57 2ahs s LEU 1830Cb -0.11 -0.85 0.03 0.00 -0.43 0.00 0.00 46.19 44.82 2ahs s LEU 1830CO -0.01 0.08 0.03 -1.58 -0.29 0.00 0.00 176.35 174.58 2ahs s GLN 1831N 0.39 0.02 -0.25 1.98 0.74 -0.42 -0.61 119.66 121.51 2ahs s GLN 1831Ca -0.10 0.21 -0.27 0.00 0.05 0.00 0.00 55.36 55.24 2ahs s GLN 1831Cb -0.13 -0.35 0.01 0.00 1.10 0.00 0.00 33.01 33.63 2ahs s GLN 1831CO 0.03 -0.20 0.97 1.41 -0.55 0.00 0.00 175.29 176.95 2ahs s MET 1832N 1.29 4.19 -0.06 1.67 -2.45 -1.26 -0.27 119.30 122.41 2ahs s MET 1832Ca -0.06 1.15 0.13 0.00 -1.25 0.00 0.00 55.69 55.66 2ahs s MET 1832Cb -0.13 -3.66 -0.23 0.00 1.25 0.00 0.00 34.83 32.06 2ahs s MET 1832CO -0.03 -0.64 0.60 1.28 1.05 0.00 0.00 175.02 177.29 2ahs n LEU 1833N 6.29 0.80 -3.59 4.11 4.77 0.16 -4.47 117.00 125.07 2ahs n LEU 1833Ca 0.10 0.37 -0.17 0.00 -0.03 0.00 0.00 56.01 56.28 2ahs n LEU 1833Cb 0.47 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.68 2ahs n LEU 1833CO 0.51 0.40 0.32 -0.94 -1.33 0.00 0.00 177.39 176.36 2ahs s SER 1834N -6.04 -0.53 -0.04 -1.43 1.04 -1.15 -4.96 113.70 100.59 2ahs s SER 1834Ca -0.05 0.55 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 2ahs s SER 1834Cb 0.08 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2ahs s SER 1834CO 0.83 -0.56 0.03 -0.70 0.98 0.00 0.00 173.24 173.82 2ahs s GLU 1835N -1.19 0.19 -0.27 4.02 2.12 -1.26 -1.41 118.70 120.89 2ahs s GLU 1835Ca -0.11 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.44 2ahs s GLU 1835Cb -0.02 -0.58 0.07 0.00 0.26 0.00 0.00 34.13 33.87 2ahs s GLU 1835CO 0.08 -0.25 -0.02 -1.12 -0.54 0.00 0.00 175.26 173.41 2ahs s SER 1836N 1.69 4.14 -0.50 -1.70 0.01 0.44 -4.99 113.70 112.79 2ahs s SER 1836Ca -0.01 -1.48 -0.21 0.00 1.31 0.00 0.00 55.95 55.56 2ahs s SER 1836Cb -0.13 -1.27 0.04 0.00 0.21 0.00 0.00 66.02 64.87 2ahs s SER 1836CO -0.03 -0.29 0.73 -0.69 0.41 0.00 0.00 173.24 173.38 2ahs s VAL 1837N 1.29 4.70 0.46 3.43 1.01 -1.26 -1.33 120.40 128.70 2ahs s VAL 1837Ca -0.00 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 61.97 2ahs s VAL 1837Cb -0.19 -4.36 0.02 0.00 0.00 0.00 0.00 36.38 31.86 2ahs s VAL 1837CO -0.09 -0.85 0.58 -0.76 0.00 0.00 0.00 175.10 173.98 2ahs s LEU 1838N 3.10 3.43 0.21 3.92 1.43 0.50 -5.00 118.68 126.28 2ahs s LEU 1838Ca 0.22 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 2ahs s LEU 1838Cb -0.16 -2.24 0.23 0.00 0.03 0.00 0.00 46.19 44.06 2ahs s LEU 1838CO 0.16 -0.90 1.63 -0.65 0.23 0.00 0.00 176.35 176.82 2ahs h PRO 1839N 0.60 -0.01 -0.00 1.29 0.11 -2.02 -3.30 132.00 128.67 2ahs h PRO 1839Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2ahs h PRO 1839Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ahs h PRO 1839CO 0.47 -0.00 -0.06 0.39 -0.21 0.00 0.00 178.00 178.58 2ahs n GLU 1840N -5.43 2.15 -3.60 1.05 1.02 -1.26 -4.90 120.64 109.67 2ahs n GLU 1840Ca 0.07 -0.42 -0.11 0.00 -0.02 0.00 0.00 57.16 56.69 2ahs n GLU 1840Cb 0.33 -0.90 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 2ahs n GLU 1840CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 2ahs s TRP 1841N -0.72 -0.30 -0.07 -0.32 -2.14 -1.24 -1.76 118.94 112.38 2ahs s TRP 1841Ca 0.03 0.01 0.05 0.00 2.66 0.00 0.00 56.10 58.85 2ahs s TRP 1841Cb 0.03 0.44 -0.00 0.00 -3.10 0.00 0.00 33.47 30.83 2ahs s TRP 1841CO 0.08 -0.85 -0.22 0.99 -2.66 0.00 0.00 176.95 174.29 2ahs s THR 1842N -3.81 1.86 -0.15 0.66 2.01 0.41 -0.37 115.64 116.25 2ahs s THR 1842Ca 0.05 -0.93 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 2ahs s THR 1842Cb -0.01 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 2ahs s THR 1842CO -0.09 0.52 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.60 2ahs s ILE 1843N 0.14 2.83 0.09 1.82 1.01 -0.44 -0.56 121.20 126.09 2ahs s ILE 1843Ca -0.11 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 59.92 2ahs s ILE 1843Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2ahs s ILE 1843CO 0.05 0.51 -0.26 -0.13 0.00 0.00 0.00 174.94 175.12 2ahs s ARG 1844N 0.71 1.51 -0.12 2.79 0.52 -0.21 -0.42 118.95 123.73 2ahs s ARG 1844Ca -0.06 -1.21 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2ahs s ARG 1844Cb -0.15 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.47 2ahs s ARG 1844CO 0.02 0.45 -0.15 -1.21 0.02 0.00 0.00 175.30 174.42 2ahs s GLU 1845N -1.68 3.27 0.04 3.54 2.02 -0.50 -0.71 118.70 124.68 2ahs s GLU 1845Ca 0.12 -0.72 0.09 0.00 0.02 0.00 0.00 54.97 54.47 2ahs s GLU 1845Cb -0.10 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 2ahs s GLU 1845CO 0.04 0.23 -0.25 -0.06 0.02 0.00 0.00 175.26 175.24 2ahs s PHE 1846N 0.29 2.20 -0.22 1.61 0.08 0.06 0.36 117.98 122.36 2ahs s PHE 1846Ca -0.11 -0.41 -0.09 0.00 0.12 0.00 0.00 56.93 56.44 2ahs s PHE 1846Cb -0.16 -1.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.91 2ahs s PHE 1846CO 0.06 0.10 0.12 0.21 -0.10 0.00 0.00 175.22 175.61 2ahs s LYS 1847N -1.14 4.02 0.03 0.44 2.20 0.62 -0.60 119.74 125.32 2ahs s LYS 1847Ca 0.11 -0.30 0.08 0.00 -0.36 0.00 0.00 55.97 55.49 2ahs s LYS 1847Cb -0.10 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 2ahs s LYS 1847CO 0.02 0.12 -0.24 -1.50 -0.36 0.00 0.00 175.35 173.39 2ahs s ILE 1848N 0.86 1.89 0.11 5.43 2.07 -0.42 -1.30 121.20 129.84 2ahs s ILE 1848Ca 0.06 -1.21 -0.25 0.00 -1.41 0.00 0.00 60.65 57.85 2ahs s ILE 1848Cb -0.13 -1.61 0.07 0.00 0.13 0.00 0.00 42.46 40.92 2ahs s ILE 1848CO 0.03 0.36 0.63 0.00 -1.91 0.00 0.00 174.94 174.05 2ahs s GLY 1850N -2.42 2.85 0.38 0.00 0.00 -1.26 0.39 107.32 107.25 2ahs s GLY 1850Ca -0.01 0.98 0.07 0.00 0.00 0.00 0.00 44.72 45.76 2ahs s GLY 1850CO -0.08 1.48 1.97 -2.09 0.00 0.00 0.00 173.10 174.38 2ahs h GLU 1851N 2.49 0.67 -0.64 2.90 4.81 -1.70 -2.86 114.58 120.24 2ahs h GLU 1851Ca -0.49 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2ahs h GLU 1851Cb 1.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2ahs h GLU 1851CO 0.62 0.44 0.00 0.39 -0.73 0.00 0.00 179.01 179.73 2ahs n GLU 1852N -4.48 3.06 -2.75 1.92 1.02 -1.26 -4.39 120.64 113.76 2ahs n GLU 1852Ca 0.10 -1.97 -0.06 0.00 -0.02 0.00 0.00 57.16 55.22 2ahs n GLU 1852Cb 0.23 -1.78 0.03 0.00 -0.02 0.00 0.00 31.44 29.90 2ahs n GLU 1852CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2ahs n GLN 1853N 0.60 0.60 0.27 3.49 -0.06 -1.08 -5.05 117.38 116.15 2ahs n GLN 1853Ca 0.18 -1.81 0.15 0.00 -2.00 0.00 0.00 57.00 53.51 2ahs n GLN 1853Cb 0.71 -1.35 0.74 0.00 -4.06 0.00 0.00 30.24 26.27 2ahs n GLN 1853CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2ahs h LEU 1854N 4.51 0.00 0.00 1.69 3.38 -1.77 -2.65 115.31 120.47 2ahs h LEU 1854Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2ahs h LEU 1854Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2ahs h LEU 1854CO 0.12 0.08 -0.34 0.44 0.09 0.00 0.00 178.44 178.84 2ahs h ASP 1855N 0.00 0.00 -2.00 -0.43 3.45 -1.97 -3.38 116.42 112.09 2ahs h ASP 1855Ca -0.00 -0.10 -0.78 0.00 0.43 0.00 0.00 57.03 56.58 2ahs h ASP 1855Cb 0.43 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 38.99 2ahs h ASP 1855CO 0.01 0.05 1.53 0.00 -1.57 0.00 0.00 179.24 179.26 2ahs n ALA 1856N -1.85 5.44 -2.61 3.45 0.00 -1.00 -5.00 120.51 118.94 2ahs n ALA 1856Ca 0.04 -4.51 -0.20 0.00 0.00 0.00 0.00 53.44 48.77 2ahs n ALA 1856Cb 0.45 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 2ahs n ALA 1856CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2ahs s HIS 1857N -1.19 3.16 0.02 0.00 -3.43 -1.26 -4.58 115.29 108.00 2ahs s HIS 1857Ca 0.37 -0.18 0.04 0.00 -0.80 0.00 0.00 55.06 54.49 2ahs s HIS 1857Cb 0.09 -1.83 -0.02 0.00 -1.43 0.00 0.00 32.58 29.39 2ahs s HIS 1857CO 0.03 0.16 -0.12 0.50 -2.00 0.00 0.00 174.74 173.31 2ahs s ARG 1858N -4.08 0.87 -0.11 -0.38 3.52 0.55 -4.98 118.95 114.34 2ahs s ARG 1858Ca 0.41 -0.63 -0.17 0.00 -0.13 0.00 0.00 55.73 55.21 2ahs s ARG 1858Cb -0.09 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.41 2ahs s ARG 1858CO 0.30 0.21 0.43 -1.17 -0.81 0.00 0.00 175.30 174.26 2ahs s LEU 1859N -0.89 4.29 -0.05 -0.88 2.96 -1.26 -1.30 118.68 121.55 2ahs s LEU 1859Ca 0.01 0.77 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 2ahs s LEU 1859Cb -0.07 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 2ahs s LEU 1859CO 0.01 0.06 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.25 2ahs s ILE 1860N 0.40 1.73 -0.08 6.68 1.01 0.24 -4.81 121.20 126.37 2ahs s ILE 1860Ca 0.24 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 2ahs s ILE 1860Cb -0.15 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 2ahs s ILE 1860CO 0.09 0.49 0.01 -0.13 0.00 0.00 0.00 174.94 175.40 2ahs s ARG 1861N -0.05 2.99 -0.12 2.79 0.52 -0.42 -0.76 118.95 123.89 2ahs s ARG 1861Ca -0.04 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 2ahs s ARG 1861Cb -0.13 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.55 2ahs s ARG 1861CO 0.03 0.70 -0.20 -1.58 0.02 0.00 0.00 175.30 174.27 2ahs s HIS 1862N -0.92 2.41 -0.28 -0.53 5.65 0.12 -0.77 115.29 120.96 2ahs s HIS 1862Ca 0.14 -1.17 0.03 0.00 0.25 0.00 0.00 55.06 54.31 2ahs s HIS 1862Cb -0.11 -1.66 0.07 0.00 -1.18 0.00 0.00 32.58 29.69 2ahs s HIS 1862CO 0.04 -0.54 -0.06 -0.06 -0.65 0.00 0.00 174.74 173.46 2ahs s PHE 1863N 0.82 3.38 -0.36 3.88 0.08 0.13 -1.05 117.98 124.85 2ahs s PHE 1863Ca -0.08 -2.42 -0.04 0.00 0.12 0.00 0.00 56.93 54.51 2ahs s PHE 1863Cb -0.16 -2.18 0.07 0.00 -0.57 0.00 0.00 43.02 40.18 2ahs s PHE 1863CO -0.01 -0.89 0.13 -1.58 -0.10 0.00 0.00 175.22 172.78 2ahs s HIS 1864N 1.08 3.38 -0.27 0.36 2.46 0.28 -0.89 115.29 121.69 2ahs s HIS 1864Ca -0.04 -1.91 -0.28 0.00 0.47 0.00 0.00 55.06 53.30 2ahs s HIS 1864Cb -0.20 -2.65 0.01 0.00 -0.13 0.00 0.00 32.58 29.61 2ahs s HIS 1864CO -0.05 -0.85 1.00 -0.47 -2.47 0.00 0.00 174.74 171.89 2ahs s TYR 1865N 1.27 3.27 -1.33 3.88 5.04 -0.10 -0.44 117.35 128.93 2ahs s TYR 1865Ca 0.01 1.28 0.11 0.00 -2.44 0.00 0.00 57.07 56.03 2ahs s TYR 1865Cb -0.21 -3.36 0.09 0.00 0.35 0.00 0.00 41.96 38.83 2ahs s TYR 1865CO -0.01 -0.56 0.86 0.25 -1.34 0.00 0.00 175.55 174.75 2ahs n THR 1866N 5.50 0.04 -0.29 4.34 -2.24 -0.72 -3.64 114.28 117.27 2ahs n THR 1866Ca 0.10 -0.52 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 2ahs n THR 1866Cb 0.47 1.20 0.06 0.00 -2.10 0.00 0.00 70.33 69.95 2ahs n THR 1866CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2ahs n VAL 1867N 0.60 1.24 -1.89 2.28 0.24 -1.25 -4.88 118.33 114.67 2ahs n VAL 1867Ca 0.06 -1.31 -0.42 0.00 -2.04 0.00 0.00 64.34 60.63 2ahs n VAL 1867Cb 0.28 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 2ahs n VAL 1867CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 2ahs s TRP 1868N -1.48 2.23 0.84 6.34 -0.11 -1.26 -4.92 118.94 120.57 2ahs s TRP 1868Ca 0.11 0.19 -0.11 0.00 1.22 0.00 0.00 56.10 57.51 2ahs s TRP 1868Cb 0.09 -4.01 0.09 0.00 -1.50 0.00 0.00 33.47 28.14 2ahs s TRP 1868CO 0.03 -4.15 1.10 -1.25 -4.62 0.00 0.00 176.95 168.05 2ahs s PRO 1869N 2.99 1.73 0.58 5.86 0.04 -1.26 -4.92 135.00 140.01 2ahs s PRO 1869Ca 0.76 1.09 0.36 0.00 0.04 0.00 0.00 61.00 63.25 2ahs s PRO 1869Cb -0.40 -1.84 1.64 0.00 0.04 0.00 0.00 34.50 33.93 2ahs s PRO 1869CO 0.33 -1.99 2.09 -0.44 0.04 0.00 0.00 177.00 177.03 2ahs h ASP 1870N -1.38 0.00 -3.88 6.66 3.32 -1.97 -3.42 116.42 115.74 2ahs h ASP 1870Ca -0.46 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.12 2ahs h ASP 1870Cb 1.25 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.50 2ahs h ASP 1870CO 0.51 0.01 -0.81 -1.00 -1.72 0.00 0.00 179.24 176.24 2ahs s HIS 1871N -3.82 1.22 0.00 4.55 3.76 -1.26 -5.04 115.29 114.70 2ahs s HIS 1871Ca -0.01 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 2ahs s HIS 1871Cb 0.10 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.95 2ahs s HIS 1871CO 0.51 -0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.70 2ahs n GLY 1872N 3.19 0.98 3.71 -2.22 0.00 -1.26 -4.88 105.19 104.70 2ahs n GLY 1872Ca -0.18 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 2ahs n GLY 1872CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ahs s VAL 1873N 0.00 2.19 0.62 1.61 -7.23 -1.26 -4.81 120.40 111.52 2ahs s VAL 1873Ca 0.00 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 2ahs s VAL 1873Cb 0.00 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 2ahs s VAL 1873CO 0.00 0.00 0.99 -2.65 -0.31 0.00 0.00 175.10 173.13 2ahs n PRO 1874N -1.17 0.87 0.23 4.82 -0.02 -1.26 -4.73 135.00 133.74 2ahs n PRO 1874Ca -0.02 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 2ahs n PRO 1874Cb 0.65 -2.21 0.55 0.00 -0.02 0.00 0.00 33.50 32.48 2ahs n PRO 1874CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ahs h GLU 1875N 0.41 0.00 -6.04 -0.52 3.07 -1.96 -3.42 114.58 106.12 2ahs h GLU 1875Ca -0.49 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 57.84 2ahs h GLU 1875Cb 1.36 0.00 -0.20 0.00 -0.84 0.00 0.00 28.75 29.07 2ahs h GLU 1875CO 0.51 0.19 -0.81 0.95 -1.40 0.00 0.00 179.01 178.45 2ahs s THR 1876N -4.42 1.71 0.24 1.13 -4.23 -1.26 -5.01 115.64 103.79 2ahs s THR 1876Ca -0.03 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2ahs s THR 1876Cb 0.15 -1.62 0.01 0.00 1.34 0.00 0.00 72.50 72.38 2ahs s THR 1876CO 0.67 -0.15 1.62 0.71 -0.54 0.00 0.00 174.62 176.92 2ahs h THR 1877N 3.83 1.30 -0.90 3.99 1.35 -1.96 -3.31 112.91 117.21 2ahs h THR 1877Ca -0.45 -1.55 0.17 0.00 -0.55 0.00 0.00 66.41 64.03 2ahs h THR 1877Cb 1.19 1.57 -0.10 0.00 -1.73 0.00 0.00 68.15 69.08 2ahs h THR 1877CO 0.43 0.48 0.48 1.56 -0.25 0.00 0.00 175.52 178.23 2ahs h GLN 1878N 0.41 0.62 0.24 4.72 7.50 -1.97 -1.97 115.11 124.67 2ahs h GLN 1878Ca 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.14 2ahs h GLN 1878Cb 0.88 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.27 2ahs h GLN 1878CO 0.07 0.41 -0.12 1.03 -1.50 0.00 0.00 178.83 178.73 2ahs h SER 1879N 0.64 -0.29 0.37 1.46 0.87 -2.00 -0.65 113.55 113.96 2ahs h SER 1879Ca 0.51 0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.87 2ahs h SER 1879Cb 0.76 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2ahs h SER 1879CO -0.38 -0.20 -0.90 0.25 -0.53 0.00 0.00 176.83 175.06 2ahs h LEU 1880N -0.33 0.47 -0.01 2.23 5.85 -1.69 -1.74 115.31 120.08 2ahs h LEU 1880Ca -0.03 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.34 2ahs h LEU 1880Cb 0.26 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2ahs h LEU 1880CO 0.05 1.16 -0.10 0.40 -0.34 0.00 0.00 178.44 179.60 2ahs h ILE 1881N 0.21 0.74 -0.68 4.05 2.04 -1.36 0.63 117.51 123.14 2ahs h ILE 1881Ca -0.07 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2ahs h ILE 1881Cb 1.52 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2ahs h ILE 1881CO 0.15 0.00 0.32 -0.61 0.00 0.00 0.00 178.15 178.02 2ahs h GLN 1882N -0.17 0.99 -0.04 2.37 4.15 -1.12 -0.31 115.11 120.97 2ahs h GLN 1882Ca 0.04 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.32 2ahs h GLN 1882Cb 0.22 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 2ahs h GLN 1882CO -0.11 0.78 0.01 0.35 -1.93 0.00 0.00 178.83 177.93 2ahs h PHE 1883N 0.95 0.02 -0.35 3.99 3.57 -1.16 0.39 116.94 124.36 2ahs h PHE 1883Ca 0.23 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.75 2ahs h PHE 1883Cb 0.12 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 2ahs h PHE 1883CO 0.01 0.01 0.21 0.28 -2.23 0.00 0.00 178.31 176.59 2ahs h VAL 1884N 0.03 1.05 -0.37 1.41 2.07 -0.73 -0.88 116.25 118.83 2ahs h VAL 1884Ca 0.02 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2ahs h VAL 1884Cb 0.01 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 2ahs h VAL 1884CO -0.02 0.08 0.15 0.03 0.02 0.00 0.00 177.57 177.83 2ahs h ARG 1885N 0.42 0.31 -0.05 1.57 3.08 -0.96 0.14 114.38 118.90 2ahs h ARG 1885Ca 0.14 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.20 2ahs h ARG 1885Cb -0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2ahs h ARG 1885CO -0.06 0.20 -0.17 1.15 -1.07 0.00 0.00 179.97 180.03 2ahs h THR 1886N 0.32 0.58 -0.25 2.04 2.02 -0.71 -0.82 112.91 116.09 2ahs h THR 1886Ca 0.16 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 2ahs h THR 1886Cb 0.12 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 2ahs h THR 1886CO -0.15 0.00 0.12 0.58 0.37 0.00 0.00 175.52 176.44 2ahs h VAL 1887N -0.25 1.14 -0.82 3.16 2.07 -0.82 -2.46 116.25 118.27 2ahs h VAL 1887Ca 0.07 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.22 2ahs h VAL 1887Cb 0.35 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 2ahs h VAL 1887CO -0.20 0.14 0.51 -0.09 0.02 0.00 0.00 177.57 177.95 2ahs h ARG 1888N 0.27 0.92 -0.23 1.57 9.65 -0.60 0.20 114.38 126.15 2ahs h ARG 1888Ca 0.09 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.87 2ahs h ARG 1888Cb 0.12 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.48 2ahs h ARG 1888CO -0.01 0.61 -0.05 -0.44 2.80 0.00 0.00 179.97 182.88 2ahs h ASP 1889N 0.95 0.33 -0.06 -3.80 3.32 -0.91 0.10 116.42 116.35 2ahs h ASP 1889Ca 0.35 -0.06 -0.23 0.00 0.02 0.00 0.00 57.03 57.11 2ahs h ASP 1889Cb 0.11 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.59 2ahs h ASP 1889CO -0.15 0.42 -0.83 1.88 -1.72 0.00 0.00 179.24 178.84 2ahs h TYR 1890N 0.34 1.00 -0.84 4.55 -1.99 -0.82 -3.17 116.97 116.03 2ahs h TYR 1890Ca 0.07 -0.46 -0.02 0.00 2.00 0.00 0.00 58.73 60.32 2ahs h TYR 1890Cb 0.30 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 2ahs h TYR 1890CO 0.01 1.29 0.44 0.82 -0.00 0.00 0.00 178.16 180.71 2ahs h ILE 1891N 0.48 1.25 0.00 -2.88 2.04 0.11 -2.65 117.51 115.86 2ahs h ILE 1891Ca -0.07 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 2ahs h ILE 1891Cb 1.46 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2ahs h ILE 1891CO 0.17 0.29 -0.28 0.78 0.00 0.00 0.00 178.15 179.10 2ahs h ASN 1892N 1.18 0.00 -0.25 1.72 2.35 -0.91 -2.05 115.58 117.62 2ahs h ASN 1892Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2ahs h ASN 1892Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2ahs h ASN 1892CO -0.04 0.28 0.00 0.54 -1.65 0.00 0.00 177.43 176.56 2ahs n ARG 1893N -4.13 1.78 -2.77 0.81 1.74 -1.01 -4.20 116.66 108.89 2ahs n ARG 1893Ca -0.02 -0.98 -0.28 0.00 -0.77 0.00 0.00 57.85 55.80 2ahs n ARG 1893Cb 0.34 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 2ahs n ARG 1893CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ahs n SER 1894N 0.26 4.68 -4.76 0.55 7.64 -0.77 -5.07 113.62 116.14 2ahs n SER 1894Ca 0.09 -3.70 -0.37 0.00 1.01 0.00 0.00 58.87 55.89 2ahs n SER 1894Cb 0.30 -0.55 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 2ahs n SER 1894CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ahs s PRO 1895N -3.53 3.51 0.00 1.43 0.04 -1.26 -2.10 135.00 133.09 2ahs s PRO 1895Ca 0.48 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2ahs s PRO 1895Cb 0.32 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ahs s PRO 1895CO -0.16 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2ahs n GLY 1896N 0.55 1.75 3.75 0.56 0.00 -1.26 -5.04 105.19 105.51 2ahs n GLY 1896Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 2ahs n GLY 1896CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ahs s ALA 1897N -2.92 2.37 1.00 4.61 0.00 -0.89 -5.06 121.76 120.87 2ahs s ALA 1897Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2ahs s ALA 1897Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2ahs s ALA 1897CO 0.00 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.74 2ahs n GLY 1898N -0.17 -1.46 3.71 0.00 0.00 0.14 -4.99 105.19 102.42 2ahs n GLY 1898Ca 0.11 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 2ahs n GLY 1898CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ahs n PRO 1899N -0.02 0.77 -2.73 1.61 -0.02 -1.26 -4.75 135.00 128.60 2ahs n PRO 1899Ca 0.00 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 2ahs n PRO 1899Cb 0.00 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 30.98 2ahs n PRO 1899CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2ahs s THR 1900N -1.65 4.80 0.02 3.45 2.01 -0.63 -4.48 115.64 119.16 2ahs s THR 1900Ca 0.79 1.95 -0.30 0.00 0.31 0.00 0.00 61.69 64.43 2ahs s THR 1900Cb -0.35 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 67.85 2ahs s THR 1900CO 0.44 -0.00 1.03 -0.69 -0.69 0.00 0.00 174.62 174.71 2ahs s VAL 1901N 2.12 4.65 -0.07 3.82 1.01 -0.65 -1.16 120.40 130.11 2ahs s VAL 1901Ca 0.46 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.38 2ahs s VAL 1901Cb -0.18 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 31.99 2ahs s VAL 1901CO 0.16 0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.58 2ahs s VAL 1902N 0.95 1.29 0.09 2.92 1.01 -0.13 0.17 120.40 126.70 2ahs s VAL 1902Ca 0.53 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 2ahs s VAL 1902Cb -0.23 -1.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 2ahs s VAL 1902CO 0.28 0.39 0.20 -1.38 0.00 0.00 0.00 175.10 174.59 2ahs s HIS 1903N 0.63 0.15 0.00 5.22 -3.43 0.17 -2.21 115.29 115.81 2ahs s HIS 1903Ca -0.15 -0.57 0.00 0.00 -0.80 0.00 0.00 55.06 53.54 2ahs s HIS 1903Cb -0.16 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 2ahs s HIS 1903CO 0.04 -0.55 0.00 0.00 -2.00 0.00 0.00 174.74 172.23 2ahs n SER 1905N 0.00 1.85 0.10 0.00 2.88 -1.26 -2.13 113.62 115.06 2ahs n SER 1905Ca 0.00 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.19 2ahs n SER 1905Cb 0.00 -0.85 0.11 0.00 -0.75 0.00 0.00 64.21 62.72 2ahs n SER 1905CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ahs h ALA 1906N -0.95 0.62 -1.53 -1.46 0.00 -1.87 0.13 119.26 114.20 2ahs h ALA 1906Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2ahs h ALA 1906Cb 0.74 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.54 2ahs h ALA 1906CO -0.04 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.47 2ahs n GLY 1907N 1.24 0.36 1.64 0.00 0.00 -1.23 -4.19 105.19 103.01 2ahs n GLY 1907Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2ahs n GLY 1907CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ahs n VAL 1908N -3.57 0.00 0.00 1.61 0.24 -1.26 -4.66 118.33 110.69 2ahs n VAL 1908Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2ahs n VAL 1908Cb 0.53 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 2ahs n VAL 1908CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ahs n GLY 1909N 1.99 -0.53 0.32 7.63 0.00 -1.26 -1.74 105.19 111.61 2ahs n GLY 1909Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2ahs n GLY 1909CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2ahs h ARG 1910N 0.00 1.06 -0.45 1.61 3.08 -1.96 -0.79 114.38 116.93 2ahs h ARG 1910Ca 0.00 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2ahs h ARG 1910Cb 0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2ahs h ARG 1910CO 0.00 0.91 0.23 1.15 -1.07 0.00 0.00 179.97 181.19 2ahs h THR 1911N 1.02 1.17 -0.51 2.04 2.02 -1.89 -0.93 112.91 115.83 2ahs h THR 1911Ca 0.22 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.84 2ahs h THR 1911Cb 0.30 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2ahs h THR 1911CO -0.01 0.19 -0.05 1.23 0.37 0.00 0.00 175.52 177.25 2ahs h GLY 1912N 0.59 0.96 0.99 2.16 0.00 -1.00 -2.13 103.07 104.64 2ahs h GLY 1912Ca 0.16 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2ahs h GLY 1912CO -0.02 0.64 0.22 -0.84 0.00 0.00 0.00 176.54 176.54 2ahs h THR 1913N 0.81 1.23 -0.26 4.70 2.02 -1.02 -0.76 112.91 119.63 2ahs h THR 1913Ca 0.14 -0.72 0.03 0.00 0.77 0.00 0.00 66.41 66.64 2ahs h THR 1913Cb 0.55 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 2ahs h THR 1913CO 0.03 0.28 0.07 0.15 0.37 0.00 0.00 175.52 176.42 2ahs h PHE 1914N 0.79 0.13 -0.10 3.16 3.57 -1.01 -1.20 116.94 122.29 2ahs h PHE 1914Ca 0.19 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2ahs h PHE 1914Cb 0.21 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 2ahs h PHE 1914CO 0.01 0.05 -0.13 0.82 -2.23 0.00 0.00 178.31 176.83 2ahs h ILE 1915N 0.18 1.38 -0.61 1.41 2.04 -1.22 -0.72 117.51 119.97 2ahs h ILE 1915Ca 0.12 -1.34 0.11 0.00 1.00 0.00 0.00 64.86 64.75 2ahs h ILE 1915Cb 0.10 2.04 -0.09 0.00 -0.74 0.00 0.00 36.82 38.13 2ahs h ILE 1915CO -0.13 0.38 0.13 0.00 0.00 0.00 0.00 178.15 178.53 2ahs h ALA 1916N 0.55 0.72 -0.64 1.87 0.00 -1.16 -0.48 119.26 120.12 2ahs h ALA 1916Ca 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2ahs h ALA 1916Cb 0.67 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2ahs h ALA 1916CO 0.03 -0.30 0.24 1.25 0.00 0.00 0.00 179.25 180.47 2ahs h LEU 1917N 0.27 0.90 -0.17 0.00 5.85 -1.09 0.05 115.31 121.10 2ahs h LEU 1917Ca 0.32 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2ahs h LEU 1917Cb 0.47 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2ahs h LEU 1917CO -0.40 0.83 0.06 -0.78 -0.34 0.00 0.00 178.44 177.82 2ahs h ASP 1918N 0.90 0.08 -0.38 1.25 3.58 -0.38 -0.80 116.42 120.68 2ahs h ASP 1918Ca 0.21 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 2ahs h ASP 1918Cb 0.23 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 2ahs h ASP 1918CO -0.01 0.07 0.23 0.03 -2.88 0.00 0.00 179.24 176.67 2ahs h ARG 1919N 0.15 0.51 0.00 0.28 3.08 -0.89 -2.67 114.38 114.84 2ahs h ARG 1919Ca 0.07 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2ahs h ARG 1919Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 2ahs h ARG 1919CO -0.07 0.38 -0.56 -0.84 -1.07 0.00 0.00 179.97 177.81 2ahs h ILE 1920N 0.49 1.31 -0.06 2.04 3.07 -0.76 -2.29 117.51 121.30 2ahs h ILE 1920Ca 0.14 -1.98 -0.17 0.00 1.55 0.00 0.00 64.86 64.40 2ahs h ILE 1920Cb 0.00 2.09 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 2ahs h ILE 1920CO -0.03 0.55 -0.70 -0.07 -1.05 0.00 0.00 178.15 176.85 2ahs h LEU 1921N 0.00 0.36 -0.33 0.16 3.38 -1.08 -1.18 115.31 116.62 2ahs h LEU 1921Ca -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2ahs h LEU 1921Cb 1.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2ahs h LEU 1921CO 0.07 0.95 0.17 1.56 0.09 0.00 0.00 178.44 181.29 2ahs h GLN 1922N 0.21 0.46 -0.46 1.13 4.20 -1.35 -1.95 115.11 117.35 2ahs h GLN 1922Ca -0.02 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.67 2ahs h GLN 1922Cb 1.25 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.90 2ahs h GLN 1922CO 0.11 0.40 0.22 1.96 -0.67 0.00 0.00 178.83 180.85 2ahs h GLN 1923N 0.40 0.43 -0.21 1.46 4.20 -1.21 -1.26 115.11 118.93 2ahs h GLN 1923Ca 0.11 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.83 2ahs h GLN 1923Cb 0.07 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 2ahs h GLN 1923CO -0.02 0.29 0.02 1.25 -0.67 0.00 0.00 178.83 179.70 2ahs h LEU 1924N 0.45 -0.03 -1.67 1.46 5.85 -1.18 1.20 115.31 121.38 2ahs h LEU 1924Ca 0.20 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2ahs h LEU 1924Cb 0.12 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2ahs h LEU 1924CO -0.15 0.01 -0.03 0.44 -0.34 0.00 0.00 178.44 178.37 2ahs h ASP 1925N 0.10 0.15 0.01 1.25 3.32 -1.12 -3.35 116.42 116.78 2ahs h ASP 1925Ca 0.10 -0.02 -0.41 0.00 0.02 0.00 0.00 57.03 56.72 2ahs h ASP 1925Cb 0.11 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.56 2ahs h ASP 1925CO -0.15 0.21 -2.30 -1.20 -1.72 0.00 0.00 179.24 174.09 2ahs n SER 1926N -4.40 1.95 -0.04 6.45 7.64 -0.49 -4.88 113.62 119.84 2ahs n SER 1926Ca -0.01 0.27 -0.14 0.00 1.01 0.00 0.00 58.87 60.00 2ahs n SER 1926Cb 0.17 -0.78 -0.12 0.00 -1.01 0.00 0.00 64.21 62.47 2ahs n SER 1926CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2ahs h LYS 1927N -0.79 0.02 -5.67 1.43 -0.00 0.13 -3.47 116.57 108.24 2ahs h LYS 1927Ca -0.61 -0.03 -0.64 0.00 -0.00 0.00 0.00 60.65 59.37 2ahs h LYS 1927Cb 1.63 0.01 -0.13 0.00 -0.00 0.00 0.00 32.23 33.74 2ahs h LYS 1927CO -0.31 0.81 1.34 0.34 -0.00 0.00 0.00 179.45 181.63 2ahs s ASP 1928N -6.05 6.60 -0.31 7.07 3.68 -1.26 -5.08 116.67 121.32 2ahs s ASP 1928Ca -0.18 -1.81 0.02 0.00 2.13 0.00 0.00 52.55 52.72 2ahs s ASP 1928Cb -0.01 -2.51 0.09 0.00 -1.45 0.00 0.00 42.92 39.04 2ahs s ASP 1928CO 0.69 -1.30 0.03 -0.94 0.13 0.00 0.00 175.17 173.79 2ahs s SER 1929N 4.37 4.38 -0.10 -0.34 1.04 -1.22 -4.84 113.70 116.99 2ahs s SER 1929Ca 0.42 -1.79 -0.15 0.00 0.48 0.00 0.00 55.95 54.92 2ahs s SER 1929Cb -0.01 -1.34 -0.05 0.00 0.10 0.00 0.00 66.02 64.72 2ahs s SER 1929CO -0.08 -0.35 0.36 -0.69 0.98 0.00 0.00 173.24 173.46 2ahs s VAL 1930N 1.19 5.22 -0.49 5.02 1.01 -1.26 -4.74 120.40 126.35 2ahs s VAL 1930Ca 0.06 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.77 2ahs s VAL 1930Cb -0.19 -3.68 0.15 0.00 0.00 0.00 0.00 36.38 32.67 2ahs s VAL 1930CO -0.12 0.44 0.32 -0.62 0.00 0.00 0.00 175.10 175.12 2ahs s ASP 1931N -0.02 3.36 0.06 3.32 2.15 -1.26 -4.97 116.67 119.32 2ahs s ASP 1931Ca 0.21 -3.01 -0.17 0.00 0.43 0.00 0.00 52.55 50.01 2ahs s ASP 1931Cb -0.14 -1.01 -0.15 0.00 -0.30 0.00 0.00 42.92 41.31 2ahs s ASP 1931CO 0.08 -0.20 1.29 0.40 -0.17 0.00 0.00 175.17 176.56 2ahs h ILE 1932N 4.90 1.34 -0.02 4.11 2.04 -1.97 -2.31 117.51 125.59 2ahs h ILE 1932Ca 0.10 -1.74 0.02 0.00 1.00 0.00 0.00 64.86 64.24 2ahs h ILE 1932Cb 0.88 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 2ahs h ILE 1932CO 0.50 0.53 -0.13 0.22 0.00 0.00 0.00 178.15 179.28 2ahs h TYR 1933N 0.24 -0.33 -0.98 1.37 3.20 -2.00 -1.66 116.97 116.81 2ahs h TYR 1933Ca -0.02 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2ahs h TYR 1933Cb 1.09 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.46 2ahs h TYR 1933CO 0.10 -0.19 0.64 0.78 -1.64 0.00 0.00 178.16 177.84 2ahs h GLY 1934N -0.21 1.44 0.91 1.82 0.00 -1.98 -0.56 103.07 104.48 2ahs h GLY 1934Ca 0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 2ahs h GLY 1934CO -0.14 0.39 0.03 0.00 0.00 0.00 0.00 176.54 176.81 2ahs h ALA 1935N 1.44 0.45 -0.50 3.60 0.00 -1.15 -1.61 119.26 121.49 2ahs h ALA 1935Ca 0.40 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2ahs h ALA 1935Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2ahs h ALA 1935CO -0.13 0.18 -0.19 0.28 0.00 0.00 0.00 179.25 179.39 2ahs h VAL 1936N 0.40 1.27 -0.11 0.00 2.07 -0.95 -1.60 116.25 117.32 2ahs h VAL 1936Ca 0.10 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.30 2ahs h VAL 1936Cb 0.40 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2ahs h VAL 1936CO 0.01 0.47 -0.19 -0.74 0.02 0.00 0.00 177.57 177.14 2ahs h HIS 1937N 0.88 -0.50 -0.68 1.57 6.17 -1.06 0.48 115.15 122.02 2ahs h HIS 1937Ca 0.12 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.24 2ahs h HIS 1937Cb 0.77 0.24 -0.04 0.00 2.52 0.00 0.00 27.41 30.90 2ahs h HIS 1937CO 0.05 -0.27 0.44 0.22 0.71 0.00 0.00 177.93 179.08 2ahs h ASP 1938N -0.25 0.74 -0.37 3.26 3.58 -1.20 -1.59 116.42 120.58 2ahs h ASP 1938Ca 0.09 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.58 2ahs h ASP 1938Cb 0.38 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 2ahs h ASP 1938CO -0.26 0.52 0.11 -0.07 -2.88 0.00 0.00 179.24 176.66 2ahs h LEU 1939N 0.87 0.09 -1.79 2.28 3.38 -0.84 -2.56 115.31 116.74 2ahs h LEU 1939Ca 0.26 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2ahs h LEU 1939Cb -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ahs h LEU 1939CO -0.08 0.09 0.05 0.03 0.09 0.00 0.00 178.44 178.62 2ahs h ARG 1940N 0.25 0.19 0.00 1.13 2.47 -0.38 -1.25 114.38 116.78 2ahs h ARG 1940Ca 0.17 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.86 2ahs h ARG 1940Cb 0.17 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 2ahs h ARG 1940CO -0.20 0.16 -0.10 -0.07 0.56 0.00 0.00 179.97 180.32 2ahs h LEU 1941N 0.19 0.00 0.00 3.04 3.38 -0.88 -3.18 115.31 117.86 2ahs h LEU 1941Ca 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2ahs h LEU 1941Cb 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2ahs h LEU 1941CO -0.01 0.10 -2.17 1.41 0.09 0.00 0.00 178.44 177.87 2ahs n HIS 1942N -3.59 0.06 -3.63 1.13 8.25 -0.56 -4.87 115.22 112.00 2ahs n HIS 1942Ca -0.02 0.02 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 2ahs n HIS 1942Cb 0.23 -0.80 -0.07 0.00 1.12 0.00 0.00 29.99 30.47 2ahs n HIS 1942CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2ahs s ARG 1943N -2.94 0.81 0.47 -0.41 3.52 -0.66 -4.59 118.95 115.14 2ahs s ARG 1943Ca -0.09 0.95 -0.24 0.00 -0.13 0.00 0.00 55.73 56.22 2ahs s ARG 1943Cb 0.09 0.39 -0.08 0.00 -1.56 0.00 0.00 34.95 33.80 2ahs s ARG 1943CO 0.86 -0.10 1.25 1.55 -0.81 0.00 0.00 175.30 178.05 2ahs n VAL 1944N 2.62 3.00 -1.08 7.11 3.14 -1.26 -3.59 118.33 128.26 2ahs n VAL 1944Ca -0.14 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.71 2ahs n VAL 1944Cb 0.55 -1.53 -0.01 0.00 -1.06 0.00 0.00 33.84 31.79 2ahs n VAL 1944CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2ahs n HIS 1945N -0.60 0.00 -1.76 1.45 8.25 -1.26 -4.85 115.22 116.45 2ahs n HIS 1945Ca 0.08 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2ahs n HIS 1945Cb 0.42 -1.78 -0.03 0.00 1.12 0.00 0.00 29.99 29.72 2ahs n HIS 1945CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2ahs s MET 1946N -1.86 4.15 -0.35 -0.41 1.00 -1.24 -2.32 119.30 118.27 2ahs s MET 1946Ca 0.00 2.54 -0.06 0.00 0.00 0.00 0.00 55.69 58.17 2ahs s MET 1946Cb 0.00 -3.65 0.01 0.00 0.00 0.00 0.00 34.83 31.19 2ahs s MET 1946CO 0.00 -0.83 0.23 0.28 0.00 0.00 0.00 175.02 174.69 2ahs n VAL 1947N 4.82-11.57 0.42 -6.03 0.31 -0.71 -4.73 118.33 100.84 2ahs n VAL 1947Ca 0.18 1.47 0.12 0.00 -0.01 0.00 0.00 64.34 66.09 2ahs n VAL 1947Cb 0.39 -7.04 0.06 0.00 -0.91 0.00 0.00 33.84 26.34 2ahs n VAL 1947CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2ahs n GLN 1948N 0.31 0.39 -4.31 5.55 7.27 -0.98 -4.87 117.38 120.74 2ahs n GLN 1948Ca 0.05 0.06 -0.21 0.00 0.07 0.00 0.00 57.00 56.96 2ahs n GLN 1948Cb 0.17 -1.69 -0.11 0.00 2.41 0.00 0.00 30.24 31.02 2ahs n GLN 1948CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2ahs s THR 1949N -3.24 1.70 0.34 1.69 -4.23 -1.26 -5.02 115.64 105.61 2ahs s THR 1949Ca 0.03 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 2ahs s THR 1949Cb 0.13 -1.78 0.21 0.00 1.34 0.00 0.00 72.50 72.40 2ahs s THR 1949CO 0.77 -0.35 1.94 -0.08 -0.54 0.00 0.00 174.62 176.36 2ahs h GLU 1950N 3.28 0.74 -0.86 3.99 4.81 -1.99 -2.35 114.58 122.19 2ahs h GLU 1950Ca -0.41 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 58.78 2ahs h GLU 1950Cb 1.20 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.38 2ahs h GLU 1950CO 0.51 0.58 0.54 0.00 -0.73 0.00 0.00 179.01 179.92 2ahs h GLN 1952N 1.00 0.96 -0.54 0.00 4.20 -1.84 -0.78 115.11 118.11 2ahs h GLN 1952Ca 0.37 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2ahs h GLN 1952Cb 0.12 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2ahs h GLN 1952CO -0.16 0.94 0.19 -0.92 -0.67 0.00 0.00 178.83 178.22 2ahs h TYR 1953N 0.88 0.85 -0.58 2.96 3.20 -0.93 -1.49 116.97 121.86 2ahs h TYR 1953Ca 0.16 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2ahs h TYR 1953Cb 0.52 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 2ahs h TYR 1953CO 0.03 0.71 0.36 0.28 -1.64 0.00 0.00 178.16 177.90 2ahs h VAL 1954N 0.74 1.08 -0.68 1.81 2.07 -0.75 -3.00 116.25 117.52 2ahs h VAL 1954Ca 0.18 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.47 2ahs h VAL 1954Cb 0.25 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2ahs h VAL 1954CO -0.01 0.13 0.44 0.22 0.02 0.00 0.00 177.57 178.37 2ahs h TYR 1955N 0.71 0.83 -0.45 1.57 3.20 -0.80 -1.14 116.97 120.90 2ahs h TYR 1955Ca 0.23 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.21 2ahs h TYR 1955Cb 0.00 -0.28 -0.08 0.00 1.54 0.00 0.00 36.73 37.92 2ahs h TYR 1955CO -0.05 0.51 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.88 2ahs h LEU 1956N 0.89 -0.23 -0.82 2.82 3.38 -1.18 -0.61 115.31 119.55 2ahs h LEU 1956Ca 0.26 0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.36 2ahs h LEU 1956Cb -0.06 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2ahs h LEU 1956CO -0.07 -0.08 0.54 0.45 0.09 0.00 0.00 178.44 179.37 2ahs h HIS 1957N 0.09 1.01 -0.76 1.13 3.86 -1.31 -2.69 115.15 116.48 2ahs h HIS 1957Ca 0.22 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2ahs h HIS 1957Cb 0.33 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2ahs h HIS 1957CO -0.31 0.60 0.35 1.96 0.86 0.00 0.00 177.93 181.40 2ahs h GLN 1958N 1.07 1.10 -0.40 2.45 4.20 -0.80 -1.48 115.11 121.24 2ahs h GLN 1958Ca 0.32 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.88 2ahs h GLN 1958Cb -0.05 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 2ahs h GLN 1958CO -0.09 0.87 0.24 0.00 -0.67 0.00 0.00 178.83 179.17 2ahs h VAL 1960N 0.48 1.27 -0.58 0.00 2.07 -1.36 -1.94 116.25 116.19 2ahs h VAL 1960Ca 0.16 -1.02 0.08 0.00 0.82 0.00 0.00 66.70 66.74 2ahs h VAL 1960Cb 0.01 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2ahs h VAL 1960CO -0.07 0.32 0.23 -0.09 0.02 0.00 0.00 177.57 177.98 2ahs h ARG 1961N 0.27 0.42 -0.61 1.57 2.43 -1.11 -1.83 114.38 115.53 2ahs h ARG 1961Ca 0.07 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2ahs h ARG 1961Cb 0.49 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 2ahs h ARG 1961CO 0.02 0.28 0.07 -0.44 -1.51 0.00 0.00 179.97 178.39 2ahs h ASP 1962N 0.43 0.97 0.00 -3.80 3.32 -0.85 0.72 116.42 117.21 2ahs h ASP 1962Ca 0.29 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2ahs h ASP 1962Cb 0.32 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 2ahs h ASP 1962CO -0.27 0.98 -0.00 0.58 -1.72 0.00 0.00 179.24 178.81 2ahs h VAL 1963N 0.94 0.99 -0.62 -1.35 2.07 -1.06 -1.19 116.25 116.03 2ahs h VAL 1963Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 2ahs h VAL 1963Cb 0.45 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2ahs h VAL 1963CO 0.02 0.00 0.29 -0.07 0.02 0.00 0.00 177.57 177.83 2ahs h LEU 1964N -0.01 0.82 -1.31 2.57 3.38 -1.05 -2.51 115.31 117.20 2ahs h LEU 1964Ca 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2ahs h LEU 1964Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2ahs h LEU 1964CO -0.00 0.73 0.34 0.03 0.09 0.00 0.00 178.44 179.62 2ahs h ARG 1965N 0.86 0.81 0.00 1.13 3.08 -0.72 -2.06 114.38 117.47 2ahs h ARG 1965Ca 0.21 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2ahs h ARG 1965Cb 0.13 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2ahs h ARG 1965CO -0.03 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.46 2ahs n ALA 1966N -2.45 2.14 0.30 0.04 0.00 -0.46 -5.09 120.51 114.99 2ahs n ALA 1966Ca 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.42 2ahs n ALA 1966Cb 0.09 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.25 2ahs n ALA 1966CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04