NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3834 8.1776 115.2801 58.0289 63.7647 174.6595 2 I 3.3525 7.9761 120.5956 62.9975 37.9007 176.6577 3 Q 4.2157 8.2179 121.0905 58.5406 29.5065 178.2669 4 A 4.1854 7.3052 118.0394 52.7838 19.2366 177.1988 5 E 3.7924 8.0152 118.1026 55.1262 29.8757 178.0175 6 E 3.9084 8.3281 121.8409 58.5596 30.0726 177.6313 7 W 4.5299 7.2526 115.0123 56.7870 28.5024 174.7580 8 Y 5.1716 7.7894 122.3816 56.9222 37.7758 175.3589 9 F 4.4483 9.2282 126.5599 56.6016 40.6152 178.2601 10 G 3.4123 5.4957 110.8147 46.7205 0.0000 176.5262 11 K 4.3527 8.5553 119.4810 54.4952 30.3187 175.1126 12 I 4.6443 7.3430 114.4176 58.0506 40.9033 177.0028 13 T 4.2651 8.1155 112.7187 60.9797 71.0970 175.7323 14 R 3.7811 9.2696 121.6502 59.6538 29.9501 178.5433 15 R 3.8783 7.9378 117.9377 59.3413 30.0451 177.9012 16 E 3.9462 8.3316 119.3458 59.3239 29.6646 178.8490 17 S 4.1225 8.3216 114.4870 61.6729 62.8005 176.4394 18 E 3.9781 8.3640 122.1509 58.9231 28.9844 179.0869 19 R 3.8851 8.1309 118.3263 59.5387 30.2336 178.2993 20 L 4.1711 7.8894 117.4467 57.8789 41.7299 179.2422 21 L 4.2298 7.9523 117.6877 56.8306 41.8258 177.7433 22 L 4.4741 8.0102 118.8355 54.0313 43.0610 176.0851 23 N 4.7241 7.7098 117.3498 51.8239 40.1243 175.2491 24 A 4.0972 8.7476 128.6917 55.2211 18.5191 177.9936 25 E 4.1376 8.8225 113.9441 57.6957 29.8817 176.6242 26 N 4.5373 8.1909 118.5702 51.8572 39.0754 173.5258 27 P 4.5237 0.0000 0.0000 61.4781 32.6553 175.6864 28 R 3.9871 8.1609 117.7316 58.1396 30.3039 177.6340 29 G 4.1292 9.2369 109.8823 46.3802 0.0000 173.4489 30 T 4.6740 7.5701 117.1250 64.1665 69.7189 173.3369 31 F 5.7399 8.9416 119.3272 56.5615 42.1521 172.4534 32 L 4.5206 8.2502 116.6009 54.8608 43.2868 173.7578 33 V 5.1586 9.1450 120.8055 61.3761 34.5836 174.5821 34 R 5.0062 9.2224 122.8598 54.4008 33.5521 174.0119 35 E 4.5825 9.0265 119.4493 56.2817 30.1028 177.3752 36 S 4.3468 8.2855 117.4800 58.4432 62.6340 174.3603 37 E 4.1917 8.9328 125.0784 58.4756 29.7544 177.8216 38 T 4.2842 7.8269 107.0878 61.8655 70.5009 174.4385 39 T 4.4580 8.3105 119.9650 60.7553 70.0222 173.6572 40 K 4.0506 8.5754 126.5446 58.2102 32.8229 177.5961 41 G 3.6970 8.7469 109.4666 45.5315 0.0000 172.7214 42 A 4.6603 7.5670 121.4445 50.4297 22.1632 175.3961 43 Y 5.3540 8.5756 115.7984 56.4475 42.7749 174.5103 44 C 5.3871 9.6182 117.7389 58.1018 32.2862 173.1789 45 L 4.9760 9.3630 126.3916 53.9574 43.4295 174.9978 46 S 5.2414 8.9826 123.6547 56.9807 65.0471 173.6843 47 V 5.0864 8.8890 124.7714 61.0550 34.9606 174.7033 48 S 5.0028 9.2637 122.3964 58.1619 64.9731 172.3996 49 D 5.1434 9.2281 120.6440 53.3730 45.5025 173.5735 50 F 5.6788 8.7752 122.2487 57.7298 42.4043 172.5254 51 D 4.7053 7.5446 123.8639 52.1443 42.6194 175.7849 52 N 4.1901 8.7299 115.3192 55.6184 38.9873 177.1030 53 A 4.0651 8.1145 120.5979 54.7222 18.6843 178.4223 54 K 4.2288 8.7578 112.3454 55.3277 33.9898 179.1607 55 G 3.1562 7.7657 108.4938 45.3840 0.0000 172.4476 56 L 4.9519 8.5337 125.1722 55.1621 42.8301 176.9548 57 N 5.0782 9.2924 122.8679 51.8720 41.4664 173.1097 58 V 4.9255 8.2274 118.1119 61.0262 34.5065 174.5240 59 K 4.5624 8.9157 125.7661 54.7686 35.6843 174.6628 60 H 5.2162 8.2147 119.0987 54.1692 31.8710 172.5492 61 Y 4.7531 8.8963 120.8791 55.9492 40.6674 175.1977 62 K 4.7505 8.8071 123.4536 56.2597 34.0336 175.7227 63 I 4.9195 9.1000 125.5633 59.7200 39.9752 174.9523 64 R 4.7020 8.9487 126.1224 54.3940 32.6967 175.2405 65 K 4.4736 8.1454 122.3239 54.5572 34.5835 175.4966 66 L 4.4639 8.5180 127.7377 53.6858 42.9983 177.9903 67 D 4.2900 8.7188 121.3013 57.5602 40.9389 178.0248 68 S 4.2488 7.9109 112.7883 59.2662 62.9541 173.5161 69 G 4.1765 8.2919 109.7311 45.6269 0.0000 175.0498 70 G 4.0219 8.0067 105.7924 46.0479 0.0000 172.7270 71 F 5.5226 9.0130 120.5438 55.7902 42.4131 174.0989 72 Y 5.1852 8.4958 118.4674 57.3262 41.0512 174.9965 73 I 4.2999 9.0268 120.1738 62.2469 38.5523 176.2057 74 T 4.7325 7.7838 114.4963 59.7103 69.1349 174.8996 75 S 2.7900 8.5051 122.9414 60.6038 62.9764 175.7513 76 R 3.8908 7.6936 118.8791 58.2662 30.0012 176.4848 77 T 4.1223 7.6470 113.4523 61.4521 69.5606 172.9861 78 Q 4.8360 7.6833 123.9333 53.8216 31.8696 175.1743 79 F 4.9094 8.6553 117.0053 55.8663 42.8123 176.0692 80 N 4.7084 8.9844 119.3891 55.2724 39.1404 175.6853 81 S 4.5060 7.6043 112.4260 55.9517 67.3388 175.0107 82 L 3.4311 7.2033 123.4890 57.9260 41.6924 178.9137 83 Q 4.2158 7.9310 117.7010 59.3055 28.6827 178.8067 84 Q 3.9303 8.0896 118.9251 58.4817 28.6473 178.5320 85 L 2.4400 7.4789 121.3300 57.5884 42.1670 179.1589 86 V 3.1355 7.6174 118.2230 65.7311 31.0888 177.7741 87 A 3.8554 7.6428 119.4147 55.1541 18.4954 178.6613 88 Y 3.9026 7.7138 118.0309 61.0268 38.8897 177.6522 89 Y 4.5294 7.6797 117.2196 59.0385 37.7611 177.3793 90 S 4.8407 7.3169 116.3487 58.7191 63.2924 174.5696 91 K 4.3305 7.7011 119.3719 56.0636 33.8324 175.9631 92 H 4.6582 7.4764 115.4016 53.5872 31.7590 174.3134 93 A 4.0498 8.7220 127.1042 54.2475 19.9865 179.7439 94 D 4.5270 7.8594 112.6979 55.9400 40.2420 175.2651 95 G 3.9112 9.0384 116.5731 46.4805 0.0000 173.4643 96 L 4.0162 7.9639 121.5255 53.6808 42.3841 177.8317 97 C 4.3670 8.7589 115.3130 61.2363 29.8080 173.4294 98 H 4.4489 7.1541 117.1606 54.8954 32.6526 173.6322 99 R 4.1216 7.6833 120.8359 55.7864 30.2287 175.9113 100 L 4.2211 8.5767 120.9348 55.0596 41.4084 175.8805 101 T 4.7133 8.1884 113.7687 61.6977 70.0030 174.1088 102 T 4.9206 7.7641 109.2934 58.4180 73.2630 173.4804 103 V 3.4716 8.3192 122.9668 62.7935 32.2228 175.2769 104 C 4.2420 8.3218 128.6520 59.1577 31.8911 171.7712 105 P 4.6225 0.0000 0.0000 62.5342 32.0435 176.5132 106 T 4.2537 8.3117 115.6756 63.9792 68.5349 175.0696 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 1 S 8.18 4.38 0.00 3.83 3.74 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 2 I 7.98 3.35 1.37 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.11 0.68 0.00 0.00 3 Q 8.22 4.22 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 4 A 7.31 4.19 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 5 E 8.02 3.79 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 2.07 1.47 0.00 6 E 8.33 3.91 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 7 W 7.25 4.53 0.00 3.45 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.79 5.17 0.00 2.86 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.23 4.45 0.00 2.87 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 10 G 5.50 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.56 4.35 0.00 1.77 1.77 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.56 7.81 12 I 7.34 4.64 1.93 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 1.55 0.90 0.98 0.00 0.00 13 T 8.12 4.27 4.41 0.00 0.00 0.00 0.00 0.00 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 14 R 9.27 3.78 0.00 1.73 2.03 0.00 3.03 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.31 0.00 15 R 7.94 3.88 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.33 3.95 0.00 2.15 2.13 0.00 0.00 0.00 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 2.43 0.00 17 S 8.32 4.12 0.00 4.07 4.12 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 0.00 0.00 0.00 18 E 8.36 3.98 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 19 R 8.13 3.89 0.00 1.79 2.15 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 L 7.89 4.17 0.00 1.83 1.77 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.95 4.23 0.00 1.69 1.72 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.01 4.47 0.00 1.69 1.70 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.71 4.72 0.00 2.73 2.69 0.00 0.00 6.93 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.75 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.82 4.14 0.00 2.07 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 2.33 2.27 0.00 26 N 8.19 4.54 0.00 2.81 2.78 0.00 0.00 6.98 7.56 0.00 0.00 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 P 0.00 4.52 0.00 2.19 2.15 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 28 R 8.16 3.99 0.00 1.47 1.66 0.00 3.41 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 29 G 9.24 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.57 4.67 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 F 8.94 5.74 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.25 4.52 0.00 0.65 0.77 0.75 -0.09 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 33 V 9.15 5.16 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 1.28 0.00 0.00 1.10 0.00 0.00 34 R 9.22 5.01 0.00 2.02 1.98 0.00 3.03 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 35 E 9.03 4.58 0.00 1.92 1.95 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 2.57 2.46 0.00 36 S 8.29 4.35 0.00 3.92 3.97 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 37 E 8.93 4.19 0.00 1.99 1.98 0.00 0.00 0.00 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 2.28 0.00 38 T 7.83 4.28 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 39 T 8.31 4.46 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 1.18 0.00 0.00 40 K 8.58 4.05 0.00 1.83 1.81 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.37 7.81 41 G 8.75 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.57 4.66 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.58 5.35 0.00 3.17 3.14 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 44 C 9.62 5.39 0.00 2.87 2.86 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 45 L 9.36 4.98 0.00 1.78 1.69 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.98 5.24 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.89 5.09 2.28 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 1.17 0.00 0.00 1.08 0.00 0.00 48 S 9.26 5.00 0.00 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 9.23 5.14 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.78 5.68 0.00 3.07 2.86 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 51 D 7.54 4.71 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 52 N 8.73 4.19 0.00 2.71 2.90 0.00 0.00 6.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.11 4.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.76 4.23 0.00 1.58 1.77 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.29 7.81 55 G 7.77 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 0.00 0.00 0.00 56 L 8.53 4.95 0.00 1.91 1.70 1.10 0.92 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 57 N 9.29 5.08 0.00 2.79 2.82 0.00 0.00 5.94 8.17 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 58 V 8.23 4.93 2.02 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 0.66 0.00 0.00 0.92 0.00 0.00 59 K 8.92 4.56 0.00 1.58 1.04 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.53 7.81 60 H 8.21 5.22 0.00 2.88 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.90 4.75 0.00 2.91 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 62 K 8.81 4.75 0.00 1.78 1.77 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.50 7.81 63 I 9.10 4.92 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.00 1.21 0.00 0.00 64 R 8.95 4.70 0.00 0.67 1.41 0.00 3.17 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 65 K 8.15 4.47 0.00 1.21 1.53 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.09 1.25 7.81 66 L 8.52 4.46 0.00 1.61 1.56 1.06 1.24 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 67 D 8.72 4.29 0.00 2.63 2.72 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 68 S 7.91 4.25 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.29 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 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 0.00 0.00 0.00 71 F 9.01 5.52 0.00 3.18 3.06 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 0.00 0.00 0.00 72 Y 8.50 5.19 0.00 3.37 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.03 4.30 1.90 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.95 0.00 0.00 74 T 7.78 4.73 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 75 S 8.51 2.79 0.00 3.53 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.69 3.89 0.00 1.76 1.96 0.00 3.22 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 77 T 7.65 4.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 78 Q 7.68 4.84 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.80 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 79 F 8.66 4.91 0.00 3.24 2.95 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 80 N 8.98 4.71 0.00 3.04 2.97 0.00 0.00 6.75 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 81 S 7.60 4.51 0.00 3.77 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 82 L 7.20 3.43 0.00 0.76 1.41 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.93 4.22 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 84 Q 8.09 3.93 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 85 L 7.48 2.44 0.00 1.63 1.65 1.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.62 3.14 1.59 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 0.19 0.00 0.00 -0.08 0.00 0.00 87 A 7.64 3.86 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.71 3.90 0.00 2.73 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.68 4.53 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.32 4.84 0.00 3.86 3.80 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 91 K 7.70 4.33 0.00 1.51 1.54 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.47 7.81 92 H 7.48 4.66 0.00 2.63 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.72 4.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.86 4.53 0.00 3.10 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 0.00 0.00 0.00 95 G 9.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.96 4.02 0.00 1.60 1.28 0.46 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.76 4.37 0.00 3.40 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 7.15 4.45 0.00 3.25 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.68 4.12 0.00 2.05 1.92 0.00 3.19 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 100 L 8.58 4.22 0.00 1.14 0.39 0.09 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.19 4.71 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 102 T 7.76 4.92 4.29 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 1.27 0.00 0.00 103 V 8.32 3.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.89 0.00 0.00 104 C 8.32 4.24 0.00 2.92 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 0.00 105 P 0.00 4.62 0.00 2.11 1.98 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 106 T 8.31 4.25 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 1.18 0.00 0.00