NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 M 4.3546 8.3044 118.1917 55.0305 32.7542 175.3552 13 D 4.5191 8.1671 119.9787 51.5511 43.7086 175.8279 14 I 3.8267 8.4193 115.9630 64.1766 37.4786 177.5556 15 S 4.1514 8.1868 114.3857 61.2357 61.9043 175.7678 16 Q 4.0831 7.9187 120.8426 58.7224 29.1027 177.1082 17 L 3.8805 7.6988 120.4468 56.6990 43.3123 177.2614 18 F 5.0109 8.3457 115.8325 56.7963 38.9308 174.8188 19 H 4.4524 8.0564 122.9658 58.0833 30.6554 174.5887 20 D 5.0114 7.6409 117.0639 51.9582 43.1740 176.1640 21 E 4.0845 8.5480 120.4896 56.5933 30.0433 176.7384 22 V 4.3364 8.0294 122.0198 60.3703 33.3204 173.9381 23 P 4.4765 0.0000 0.0000 61.8964 32.1332 176.1709 24 L 3.8183 8.4854 122.4964 57.5253 42.0164 177.3564 25 F 5.0620 7.4122 114.2624 54.9266 42.1176 174.5619 26 D 4.4786 8.6468 122.6156 54.4929 41.4595 177.1860 27 N 4.4653 8.9016 123.2502 55.4976 38.6703 175.6580 28 S 4.6372 7.8859 111.3364 57.5041 63.4793 174.1566 29 I 3.6848 7.8041 122.7271 61.5092 38.3180 176.4531 30 T 4.1633 8.2025 117.7398 61.3161 70.9339 175.5576 31 S 4.0009 8.4275 115.9567 61.4945 62.4392 176.5750 32 K 3.9385 7.8852 120.7147 59.4704 31.9921 178.9113 33 D 4.2888 7.9902 119.2201 57.2209 40.7321 178.7844 34 K 3.3884 7.7736 120.0698 59.1756 32.0885 178.3906 35 E 3.8290 7.9839 119.6566 59.1348 29.4567 178.9482 36 V 3.6864 7.4942 119.5235 65.5893 31.6340 178.1421 37 I 3.5857 7.4760 119.1918 64.3889 36.7927 178.3216 38 E 3.9977 8.2394 119.4600 59.6294 29.1604 179.6050 39 T 3.7176 8.0146 115.9124 66.4948 68.4552 176.7213 40 L 3.8846 7.9946 121.2762 57.7245 41.5756 179.7180 41 S 4.1613 8.1150 114.2299 61.4296 62.9139 176.5790 42 E 3.8033 7.6483 122.2721 59.0083 29.1412 179.1289 43 I 3.7475 7.5724 119.9699 64.6145 37.1252 177.7349 44 Y 4.2102 8.4911 120.8944 60.8644 38.6465 178.3482 45 S 4.0865 8.2578 115.1101 61.4607 62.9522 176.7010 46 I 3.7498 7.7407 122.9009 64.0779 36.9135 178.3007 47 V 3.5074 7.8392 119.0390 66.1417 31.2050 178.0977 48 I 3.5253 7.5800 119.3475 64.6409 36.9996 178.5113 49 T 3.8699 7.8435 116.4303 66.7196 68.2601 176.4110 50 L 3.9678 8.3903 122.4954 58.1383 42.0980 178.4799 51 D 4.3042 8.0160 118.1079 57.6817 41.1031 178.0343 52 H 4.2351 8.0829 116.7909 58.6302 28.6195 178.0044 53 V 3.6832 7.8614 120.0796 65.9943 31.5363 177.8727 54 E 4.1562 8.6203 118.7214 59.5890 28.9010 179.5818 55 K 4.0022 8.0762 118.0199 59.4834 31.9857 179.3686 56 A 4.1031 8.3414 121.1439 55.1696 18.2433 179.0706 57 Y 3.9364 8.3482 118.4266 60.7414 38.5376 178.1752 58 L 3.9122 7.6919 118.7572 57.0543 41.7214 178.5444 59 K 4.2275 7.2992 114.9415 55.1437 32.5840 176.1672 60 D 4.1537 7.4490 118.4200 55.4897 38.8184 174.3632 61 S 4.6066 7.7393 111.4027 58.0974 64.4024 173.9580 62 I 4.5335 7.3560 121.8742 59.0551 39.3830 175.3499 63 D 4.4692 8.6374 123.4748 54.5794 42.5689 176.8993 64 D 4.6169 8.8802 125.2766 57.8277 41.2930 178.8221 65 T 3.9390 8.2219 116.2321 66.7573 68.6260 176.8521 66 Q 4.0200 8.3927 119.4709 59.0763 28.7229 178.2351 67 Y 4.0425 8.4749 120.7850 61.0438 38.8072 178.3025 68 T 3.4807 7.6557 116.3803 66.6161 68.5883 176.4070 69 N 4.2558 8.1631 118.2524 56.6030 38.5918 177.6884 70 T 3.8145 7.8382 117.0604 66.6493 68.4635 177.0497 71 V 3.4388 7.5325 120.1648 65.6915 31.4541 177.6224 72 D 4.2865 8.0129 118.8646 57.4336 40.6982 179.0696 73 K 3.9579 7.9907 118.6136 59.5080 32.0494 179.4453 74 L 4.1991 7.9699 119.1678 57.7526 41.6004 179.5872 75 L 4.0007 8.2160 119.2686 57.6741 41.5514 179.7099 76 K 3.9851 8.1259 118.3139 59.5668 32.0448 179.2637 77 Q 3.8685 8.1885 118.2516 59.0665 28.7166 178.6745 78 F 4.2873 8.4901 121.4926 61.5851 39.3542 177.3853 79 K 4.0545 8.1972 117.4390 59.3003 31.6191 179.4836 80 V 3.4956 7.4805 117.5285 66.1605 31.5082 177.4252 81 Y 4.3214 7.4389 114.8593 61.0908 37.8370 177.8805 82 L 4.0383 7.5317 119.6833 57.9357 42.6626 177.9832 83 N 4.7998 8.0075 115.5753 53.7498 38.9663 173.8549 84 S 4.3642 7.7354 113.9765 59.0424 65.9230 171.8902 85 Q 3.3217 9.4277 113.7140 57.3310 25.7702 175.7916 86 N 4.3975 8.8094 115.5156 53.1233 39.5723 174.1611 87 K 4.3545 8.1676 118.3864 56.9877 32.9054 177.1820 88 E 4.1929 7.5087 119.0234 58.7793 28.8425 178.2014 89 E 4.0241 8.0793 118.2563 58.7274 29.2880 178.9776 90 I 3.7113 7.5786 113.2589 63.7226 37.1087 177.5863 91 N 4.6424 8.0853 118.1885 55.9348 38.6274 176.3969 92 K 3.8884 7.4359 120.2870 59.8831 32.4204 177.7518 93 H 4.5632 7.5183 112.2209 57.6999 28.9213 177.3667 94 F 4.5216 7.7244 119.8394 61.0682 38.8828 177.5054 95 Q 4.0765 7.7983 115.6538 59.2303 28.7762 178.0861 96 S 4.2966 8.1322 113.5996 60.9899 62.4685 176.0386 97 I 3.8658 8.1762 123.1323 64.3652 36.7847 178.1119 98 E 4.0734 8.4921 119.3545 59.3267 29.3630 179.3224 99 A 4.0226 8.1261 120.6786 54.9636 18.4772 179.4999 100 F 4.0875 8.2741 118.7819 61.4794 39.5595 177.1929 101 A 4.2214 8.5346 120.5526 55.4772 18.3011 179.3946 102 D 4.3424 8.4937 117.5731 57.6979 40.6443 179.0453 103 T 3.7383 7.5283 115.1108 66.0427 68.3951 175.3912 104 Y 4.4899 7.2245 114.8540 56.2795 39.1378 175.2350 105 N 4.0642 7.5393 115.5026 54.5713 37.8192 174.9002 106 I 4.3599 8.3460 118.7782 60.2630 38.0790 176.0396 107 T 4.7713 8.2582 114.5967 60.1965 72.0446 174.0469 108 A 4.7890 7.9595 123.4802 49.5770 19.4340 178.5895 109 S 4.1299 8.2082 119.1180 62.2572 63.3916 175.5322 110 N 4.3395 8.2382 119.4426 55.8891 38.3154 177.1083 111 A 3.9233 8.2770 122.2028 55.2295 18.5488 179.6732 112 I 3.5729 7.8328 118.4086 64.8834 36.9115 178.8224 113 T 3.8548 7.8832 116.5090 66.5444 68.2437 176.7871 114 R 3.9300 7.8250 120.1218 59.4508 29.9448 178.5838 115 L 3.7721 7.9294 117.9786 57.4369 41.5069 178.9737 116 E 4.0735 7.8740 118.0181 59.4565 29.5252 179.2364 117 R 4.0836 7.4357 115.6470 59.1346 30.4123 176.3576 118 G 3.7185 7.9451 110.7365 45.5989 0.0000 173.2290 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 12 M 8.30 4.35 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 13 D 8.17 4.52 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.42 3.83 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.73 1.08 0.00 0.00 15 S 8.19 4.15 0.00 3.95 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.92 4.08 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 17 L 7.70 3.88 0.00 1.59 1.46 0.62 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.35 5.01 0.00 3.01 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.06 4.45 0.00 3.31 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.64 5.01 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.55 4.08 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 22 V 8.03 4.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.99 0.00 0.00 23 P 0.00 4.48 0.00 2.34 1.97 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 24 L 8.49 3.82 0.00 1.30 1.36 0.47 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.41 5.06 0.00 3.03 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.65 4.48 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.90 4.47 0.00 2.75 2.89 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.89 4.64 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.80 3.68 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.87 0.00 0.00 30 T 8.20 4.16 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 31 S 8.43 4.00 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.89 3.94 0.00 1.80 1.80 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.49 7.81 33 D 7.99 4.29 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.77 3.39 0.00 1.53 1.67 0.00 1.36 0.00 0.00 1.38 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.95 0.21 7.81 35 E 7.98 3.83 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 36 V 7.49 3.69 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 37 I 7.48 3.59 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 1.05 0.00 0.00 38 E 8.24 4.00 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 39 T 8.01 3.72 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 40 L 7.99 3.88 0.00 1.76 1.61 0.70 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.12 4.16 0.00 4.03 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.65 3.80 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 43 I 7.57 3.75 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 1.16 0.00 0.00 44 Y 8.49 4.21 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.26 4.09 0.00 4.15 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.74 3.75 2.25 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 1.08 0.00 0.00 47 V 7.84 3.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.14 0.00 0.00 48 I 7.58 3.53 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.45 0.88 0.00 0.00 49 T 7.84 3.87 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 50 L 8.39 3.97 0.00 1.92 1.74 0.80 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.02 4.30 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.08 4.24 0.00 3.33 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.86 3.68 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.04 0.00 0.00 54 E 8.62 4.16 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 55 K 8.08 4.00 0.00 1.98 1.87 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 56 A 8.34 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 8.35 3.94 0.00 2.77 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.69 3.91 0.00 1.88 1.66 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.30 4.23 0.00 1.86 1.79 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.64 7.81 60 D 7.45 4.15 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.74 4.61 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.36 4.53 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 1.09 0.00 0.00 63 D 8.64 4.47 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.88 4.62 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.22 3.94 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 66 Q 8.39 4.02 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 67 Y 8.47 4.04 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.66 3.48 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 69 N 8.16 4.26 0.00 2.70 2.83 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.84 3.81 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 71 V 7.53 3.44 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.44 0.00 0.00 72 D 8.01 4.29 0.00 2.94 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.99 3.96 0.00 1.96 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.55 7.81 74 L 7.97 4.20 0.00 1.80 1.72 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.22 4.00 0.00 1.80 1.71 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.13 3.99 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.60 7.81 77 Q 8.19 3.87 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 78 F 8.49 4.29 0.00 3.29 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.20 4.05 0.00 2.10 1.88 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.83 7.81 80 V 7.48 3.50 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.86 0.00 0.00 81 Y 7.44 4.32 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.53 4.04 0.00 1.40 1.59 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.01 4.80 0.00 2.79 2.80 0.00 0.00 6.78 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.74 4.36 0.00 3.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 9.43 3.32 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.60 5.67 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 86 N 8.81 4.40 0.00 2.83 2.93 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.17 4.35 0.00 1.95 2.00 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.51 7.81 88 E 7.51 4.19 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 89 E 8.08 4.02 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 90 I 7.58 3.71 1.51 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.78 0.00 0.00 91 N 8.09 4.64 0.00 2.99 2.92 0.00 0.00 6.83 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.44 3.89 0.00 1.73 1.86 0.00 1.75 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.40 7.81 93 H 7.52 4.56 0.00 3.06 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.72 4.52 0.00 3.28 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.80 4.08 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 96 S 8.13 4.30 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.18 3.87 2.23 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.56 1.08 0.00 0.00 98 E 8.49 4.07 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 99 A 8.13 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.27 4.09 0.00 3.22 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.53 4.22 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.49 4.34 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.53 3.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 104 Y 7.22 4.49 0.00 2.72 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.54 4.06 0.00 2.88 2.86 0.00 0.00 7.04 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.35 4.36 2.07 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 1.13 0.00 0.00 107 T 8.26 4.77 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 108 A 7.96 4.79 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.21 4.13 0.00 4.05 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.24 4.34 0.00 3.02 2.91 0.00 0.00 7.05 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.28 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.83 3.57 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.16 0.87 0.00 0.00 113 T 7.88 3.85 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 114 R 7.82 3.93 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 115 L 7.93 3.77 0.00 1.50 1.26 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.87 4.07 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 117 R 7.44 4.08 0.00 1.84 2.04 0.00 3.25 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 118 G 7.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00