NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4162 8.2493 123.5854 52.9122 19.8004 176.6727 3 T 4.3485 7.6610 110.7255 61.0833 71.3438 173.4485 4 L 4.4046 7.6551 124.7556 53.5425 41.3237 176.4257 5 R 4.8917 8.0764 117.8922 53.4873 32.9357 175.9833 6 S 4.8111 8.6628 113.8769 58.8670 63.8853 173.0118 7 F 4.8804 8.2278 116.3830 55.9179 41.8465 173.0015 8 V 4.1456 8.2791 119.5954 62.0083 31.1956 175.2830 9 L 4.0714 8.4088 131.6572 57.2819 42.8956 176.9946 10 V 4.1775 7.4383 119.5338 61.0451 34.0535 174.2203 11 D 5.0508 8.7760 128.6812 53.2785 41.1684 176.2224 12 N 4.8078 9.2102 130.1249 52.7233 38.3073 175.8463 13 G 4.0899 8.8118 111.1564 44.8731 0.0000 174.4306 14 G 4.2111 7.2746 108.5340 45.5192 0.0000 174.1328 15 T 3.8187 8.1156 116.9256 65.5215 66.7820 176.9107 16 G 4.0407 8.9864 114.2006 45.9146 0.0000 173.9180 17 N 4.4695 8.0713 117.8675 53.4158 39.4259 175.2473 18 V 3.9587 8.4320 123.8257 61.8229 32.7880 174.5570 19 T 4.6976 8.2167 124.7215 61.9456 70.6512 174.4320 20 V 4.4814 8.0516 124.2777 61.1719 34.6484 174.8280 21 V 5.0196 9.0715 120.3817 58.8176 35.3273 173.1434 22 P 4.1916 0.0000 0.0000 62.6925 31.1922 176.2804 23 V 4.3633 8.7136 124.1437 63.9529 34.0431 175.2750 24 S 4.5581 7.5687 112.4067 56.8952 66.4295 174.0377 25 N 5.4915 8.2219 115.9659 52.3183 39.2089 173.5127 26 A 4.5455 7.6608 123.4711 51.9125 21.1537 177.2212 27 N 3.8908 9.5806 118.1338 54.4863 36.1387 175.2168 28 G 3.7976 8.5244 102.7187 45.8888 0.0000 173.9979 29 V 4.5359 7.5679 119.9155 60.6142 33.7817 174.5661 30 A 4.4729 8.8394 131.0077 51.4602 20.0848 175.4901 31 E 5.2174 8.6690 122.3386 54.1734 32.9761 174.5340 32 W 5.4610 10.0303 126.4603 55.2234 32.7712 174.6164 33 L 5.7779 9.4766 122.5953 52.0341 46.0513 176.3589 34 S 4.7121 8.5670 115.8242 56.9674 65.3064 174.4700 35 N 4.6995 8.1554 117.3181 52.1990 36.7246 173.3221 36 N 5.1321 7.3922 115.7429 50.7952 43.6424 174.9128 37 S 4.2228 8.4183 115.1199 58.8138 63.2811 176.0916 38 R 3.6830 8.8027 124.0505 59.3523 29.9611 178.2033 39 S 4.2507 8.0507 111.3749 60.7826 63.5230 174.6013 40 Q 4.4241 8.5790 119.0211 55.0888 28.2941 173.7130 41 A 4.9063 7.3348 118.4222 50.5810 22.8673 177.2289 42 Y 4.2529 8.9344 117.8253 58.2555 39.3811 175.3134 43 R 5.1943 8.8391 121.9679 54.9212 34.4011 173.9304 44 V 5.2117 9.1134 124.4359 61.6265 35.2757 174.0197 45 T 6.0566 9.5526 116.4914 59.5662 72.6758 172.4186 46 A 5.8900 8.8857 122.3559 52.1495 23.0578 175.1410 47 S 4.9826 8.6068 112.4422 57.3190 66.6639 172.5497 48 Y 4.7999 8.5945 122.6650 56.1013 40.8666 174.3936 49 R 4.5932 8.0535 124.2730 54.0685 35.2218 174.6280 50 A 4.4641 8.2232 121.8202 52.0974 19.5951 177.1765 51 S 4.1909 8.6829 113.7890 58.2404 66.1126 175.7652 52 G 4.0623 8.6148 117.0491 45.2516 0.0000 172.4153 53 A 4.4135 8.4549 120.5010 53.0625 19.4508 178.5472 54 D 4.5902 7.4746 114.8702 52.9232 40.5633 174.9538 55 K 5.1408 8.1341 117.0124 55.6237 36.9031 175.4511 56 R 4.8362 8.9935 120.2058 54.3641 34.3758 175.0182 57 K 5.0383 8.6631 122.4578 55.3582 35.4277 174.7878 58 Y 4.8224 9.3450 126.2647 57.8485 40.0584 175.3056 59 T 5.0052 8.9899 118.9116 62.2659 72.1100 172.6519 60 I 5.1987 8.8679 127.8783 59.3372 40.3561 175.2509 61 K 5.1481 9.2803 125.0662 54.5754 36.1427 175.0201 62 L 5.2850 8.9408 125.8975 53.3437 45.8024 175.0200 63 E 4.6387 9.1641 123.4191 54.6960 33.6000 174.5639 64 V 4.2058 8.5193 125.9454 60.3402 33.5042 173.1099 65 P 4.6190 0.0000 0.0000 61.8241 33.2723 175.8739 66 K 3.7142 7.6814 123.1635 54.4047 32.6129 174.8438 67 I 4.0114 7.7404 128.3086 61.2562 37.7673 175.8410 68 V 4.4560 8.3774 118.9062 60.5088 37.1067 173.7380 69 T 4.8944 8.2088 117.6279 61.9071 70.3397 174.3949 70 Q 4.3298 8.7970 128.4510 56.0587 30.8290 175.2287 71 V 4.9425 8.0269 115.6957 59.9538 35.6713 174.9655 72 V 4.2510 8.7176 125.1100 62.1889 34.2016 174.9663 73 N 4.1571 9.8407 125.4591 54.5657 35.9365 175.0197 74 G 3.8150 8.3641 101.8442 45.8311 0.0000 173.4416 75 V 4.3934 7.8821 121.0301 60.8054 33.3487 174.2386 76 E 5.1437 8.7562 126.4076 55.1342 31.5088 175.4948 77 L 4.9432 8.8769 122.2108 52.1274 46.3492 173.9058 78 P 4.7171 0.0000 0.0000 62.8819 32.1809 175.4569 79 V 4.5083 8.7272 123.7268 61.0896 35.8922 173.3740 80 S 4.9445 8.2674 116.5306 56.1721 63.5057 174.4139 81 A 4.1828 8.7374 130.4841 54.3157 18.9283 176.8288 82 W 4.3457 6.4951 107.9938 56.5149 31.7718 173.8405 83 K 5.2704 9.1918 118.1710 54.7679 35.8162 175.6323 84 A 4.9542 9.1093 124.3707 50.6442 21.4482 175.4920 85 Y 5.1765 8.8474 118.2275 56.1046 41.3449 175.0491 86 A 4.8838 8.9275 124.1829 50.2087 22.6929 174.8473 87 S 5.0832 8.7778 115.5017 56.5851 65.5601 173.1264 88 I 4.7528 9.0924 127.2987 59.5956 40.9495 173.9629 89 D 5.3750 8.9073 125.6994 52.4466 43.5958 174.8181 90 L 4.8537 9.1225 126.0305 53.4671 44.8668 174.9930 91 T 5.1877 8.6910 122.1487 61.8970 71.3595 173.4332 92 I 4.7476 8.9354 126.7909 58.6985 41.3132 173.5580 93 P 4.9977 0.0000 0.0000 62.5947 32.2342 177.3691 94 I 3.8883 8.3125 115.4675 62.4341 37.8766 177.1301 95 F 4.3088 7.4510 118.7633 58.9804 39.2308 175.4301 96 A 3.9577 7.7474 124.0214 52.4555 18.4653 177.8087 97 A 4.6000 8.7834 125.5993 50.8356 22.1549 177.4640 98 T 3.8032 8.4283 116.1452 67.5776 68.3470 176.1089 99 D 4.3862 8.1453 119.5038 57.7235 40.9192 178.5479 100 D 4.3866 8.1582 118.4962 57.6016 40.8389 178.8894 101 V 3.6068 7.8136 118.2721 66.4210 31.4643 177.8959 102 T 3.8265 8.0719 115.4665 66.7703 68.2869 176.2828 103 V 3.5326 7.8289 119.7035 66.2369 31.6261 177.6877 104 I 3.6584 7.7895 119.3284 64.6557 36.8953 177.8688 105 S 4.0133 8.5661 113.8815 61.7535 62.1695 176.6441 106 K 3.9980 8.4060 121.1427 59.2452 31.6474 179.5469 107 S 4.0656 8.4412 116.0178 61.6356 62.8232 176.5088 108 L 4.0258 7.7975 120.9957 57.8661 41.1853 179.3773 109 A 4.1198 7.5702 119.3267 55.2486 18.6542 179.4536 110 G 3.7505 8.5532 104.3326 47.8928 0.0000 175.0665 111 L 3.7518 8.1326 122.2333 57.8433 42.0988 178.5184 112 F 4.5073 7.7974 113.3982 56.1203 40.0006 176.1187 113 K 3.9457 7.5742 121.4804 56.3548 32.5658 176.0455 114 V 3.9280 8.1978 125.4138 64.0767 31.9482 175.4256 115 G 4.1061 9.0547 115.1604 45.8360 0.0000 174.1682 116 N 4.6911 7.9813 116.7174 51.4034 40.8445 174.0517 117 P 4.2084 0.0000 0.0000 66.6742 31.0236 178.3351 118 I 3.9315 7.8600 119.3988 63.7567 36.9380 178.1161 119 A 4.0385 7.9390 120.8012 55.0869 18.1315 178.8137 120 E 3.8413 7.9614 116.2727 59.5117 29.9576 178.4875 121 A 4.0415 8.4204 120.7939 55.3056 18.4856 179.4077 122 I 3.7244 7.9009 118.3421 64.6648 37.0400 178.4402 123 S 4.6552 8.1074 110.8276 58.9132 62.6105 174.4963 124 S 4.5813 7.3689 113.8256 58.1404 63.7245 173.6257 125 Q 3.4013 8.2475 116.3673 57.5799 26.0566 173.6283 126 S 4.6857 7.9691 113.0027 57.0768 65.2693 173.1502 127 G 3.8824 8.1423 109.9840 43.9865 0.0000 172.3250 128 F 4.3935 8.2725 119.7658 55.9640 39.1644 174.2620 129 Y 4.9209 8.0322 122.9842 54.8552 41.1553 175.4705 130 A 4.2924 8.7814 121.3893 53.4228 19.2139 176.3626 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 2 A 8.25 4.42 1.31 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 0.00 0.00 0.00 3 T 7.66 4.35 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 1.22 0.00 0.00 4 L 7.66 4.40 0.00 1.54 1.58 0.22 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.08 4.89 0.00 2.02 1.92 0.00 3.16 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 6 S 8.66 4.81 0.00 4.06 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 7 F 8.23 4.88 0.00 3.05 3.11 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 0.00 0.00 0.00 0.00 8 V 8.28 4.15 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 0.73 0.00 0.00 0.89 0.00 0.00 9 L 8.41 4.07 0.00 1.22 1.43 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.44 4.18 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 0.88 0.00 0.00 0.72 0.00 0.00 11 D 8.78 5.05 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.21 4.81 0.00 2.72 2.75 0.00 0.00 6.71 7.88 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 13 G 8.81 4.09 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 0.00 0.00 0.00 14 G 7.27 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 0.00 0.00 0.00 0.00 15 T 8.12 3.82 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 16 G 8.99 4.04 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 0.00 0.00 0.00 17 N 8.07 4.47 0.00 2.55 2.71 0.00 0.00 6.68 8.37 0.00 0.00 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 V 8.43 3.96 1.60 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 0.19 0.00 0.00 0.63 0.00 0.00 19 T 8.22 4.70 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 20 V 8.05 4.48 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.65 0.00 0.00 21 V 9.07 5.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.97 0.00 0.00 22 P 0.00 4.19 0.00 1.80 1.56 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 23 V 8.71 4.36 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 0.78 0.00 0.00 0.93 0.00 0.00 24 S 7.57 4.56 0.00 3.84 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 25 N 8.22 5.49 0.00 2.49 2.64 0.00 0.00 7.23 7.96 0.00 0.00 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 A 7.66 4.55 1.24 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 0.00 0.00 0.00 27 N 9.58 3.89 0.00 2.88 2.91 0.00 0.00 7.04 7.65 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 28 G 8.52 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 0.00 0.00 0.00 29 V 7.57 4.54 2.23 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 1.00 0.00 0.00 1.01 0.00 0.00 30 A 8.84 4.47 0.94 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 0.00 0.00 31 E 8.67 5.22 0.00 2.05 1.72 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 2.25 2.34 0.00 32 W 10.03 5.46 0.00 3.47 2.91 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 33 L 9.48 5.78 0.00 1.56 1.55 0.95 0.75 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 34 S 8.57 4.71 0.00 3.88 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 35 N 8.16 4.70 0.00 2.72 2.82 0.00 0.00 6.59 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.39 5.13 0.00 2.71 2.68 0.00 0.00 7.25 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 37 S 8.42 4.22 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.80 3.68 0.00 1.80 2.03 0.00 3.39 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 39 S 8.05 4.25 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.58 4.42 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 41 A 7.33 4.91 1.28 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 0.00 0.00 42 Y 8.93 4.25 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.84 5.19 0.00 1.90 1.73 0.00 3.09 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 44 V 9.11 5.21 2.19 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 0.90 0.00 0.00 0.95 0.00 0.00 45 T 9.55 6.06 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 46 A 8.89 5.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.61 4.98 0.00 3.90 4.03 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 0.00 0.00 0.00 48 Y 8.59 4.80 0.00 2.58 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 49 R 8.05 4.59 0.00 1.60 1.62 0.00 3.14 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 50 A 8.22 4.46 1.08 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 0.00 0.00 51 S 8.68 4.19 0.00 3.83 3.61 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 52 G 8.61 4.06 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 0.00 0.00 0.00 53 A 8.45 4.41 1.27 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 0.00 0.00 0.00 54 D 7.47 4.59 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 55 K 8.13 5.14 0.00 1.88 1.66 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.38 7.81 56 R 8.99 4.84 0.00 1.67 1.28 0.00 3.01 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 57 K 8.66 5.04 0.00 1.72 1.54 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.56 7.81 58 Y 9.35 4.82 0.00 3.06 2.91 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 59 T 8.99 5.01 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 1.27 0.00 0.00 60 I 8.87 5.20 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.94 0.00 0.00 61 K 9.28 5.15 0.00 1.73 1.74 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 62 L 8.94 5.28 0.00 1.73 1.47 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.16 4.64 0.00 2.01 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.23 0.00 64 V 8.52 4.21 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 0.85 0.00 0.00 1.01 0.00 0.00 65 P 0.00 4.62 0.00 1.76 1.70 0.00 2.32 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.00 66 K 7.68 3.71 0.00 0.79 0.74 0.00 1.10 0.00 0.00 1.12 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.81 7.81 67 I 7.74 4.01 1.76 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 1.17 0.43 0.88 0.00 0.00 68 V 8.38 4.46 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 0.63 0.00 0.00 0.91 0.00 0.00 69 T 8.21 4.89 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 70 Q 8.80 4.33 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 71 V 8.03 4.94 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 0.71 0.00 0.00 0.93 0.00 0.00 72 V 8.72 4.25 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 1.09 0.00 0.00 0.93 0.00 0.00 73 N 9.84 4.16 0.00 2.88 2.85 0.00 0.00 7.15 7.65 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 74 G 8.36 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.88 4.39 2.18 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 1.00 0.00 0.00 1.03 0.00 0.00 76 E 8.76 5.14 0.00 1.99 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 2.20 2.32 0.00 77 L 8.88 4.94 0.00 1.53 1.52 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.72 0.00 2.04 2.05 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 79 V 8.73 4.51 2.04 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 0.91 0.00 0.00 1.00 0.00 0.00 80 S 8.27 4.94 0.00 3.93 3.61 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 81 A 8.74 4.18 1.05 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 0.00 0.00 0.00 0.00 0.00 82 W 6.50 4.35 0.00 3.46 3.21 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 0.00 83 K 9.19 5.27 0.00 1.38 1.18 0.00 1.73 0.00 0.00 1.44 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.42 7.81 84 A 9.11 4.95 1.31 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 0.00 0.00 0.00 85 Y 8.85 5.18 0.00 2.81 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.93 4.88 1.21 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 0.00 0.00 0.00 87 S 8.78 5.08 0.00 3.90 3.75 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 0.00 0.00 0.00 0.00 88 I 9.09 4.75 1.88 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 1.16 0.46 0.94 0.00 0.00 89 D 8.91 5.37 0.00 2.54 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 90 L 9.12 4.85 0.00 1.79 1.74 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.69 5.19 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 1.24 0.00 0.00 92 I 8.94 4.75 2.03 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 1.00 0.00 0.00 93 P 0.00 5.00 0.00 2.22 2.18 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 94 I 8.31 3.89 1.62 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.78 0.00 0.00 95 F 7.45 4.31 0.00 3.17 3.18 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 96 A 7.75 3.96 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 97 A 8.78 4.60 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 3.80 4.25 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 1.22 0.00 0.00 99 D 8.15 4.39 0.00 2.69 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 0.00 100 D 8.16 4.39 0.00 2.93 2.77 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 0.00 101 V 7.81 3.61 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 1.04 0.00 0.00 1.03 0.00 0.00 102 T 8.07 3.83 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 103 V 7.83 3.53 2.25 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 1.09 0.00 0.00 1.03 0.00 0.00 104 I 7.79 3.66 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 0.92 0.00 0.00 105 S 8.57 4.01 0.00 3.83 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 0.00 106 K 8.41 4.00 0.00 1.93 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.65 7.81 107 S 8.44 4.07 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.80 4.03 0.00 1.88 1.81 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.57 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.13 3.75 0.00 1.59 1.71 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.80 4.51 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.57 3.95 0.00 1.96 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.41 7.81 114 V 8.20 3.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 115 G 9.05 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.98 4.69 0.00 2.97 2.70 0.00 0.00 6.54 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 0.00 117 P 0.00 4.21 0.00 2.28 2.34 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 118 I 7.86 3.93 1.88 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.40 0.86 0.00 0.00 119 A 7.94 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.96 3.84 0.00 1.99 2.19 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 2.32 2.35 0.00 121 A 8.42 4.04 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.90 3.72 2.12 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.12 0.98 0.00 0.00 123 S 8.11 4.66 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.37 4.58 0.00 3.98 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 0.00 125 Q 8.25 3.40 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 126 S 7.97 4.69 0.00 3.82 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 0.00 127 G 8.14 3.88 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 0.00 0.00 0.00 128 F 8.27 4.39 0.00 3.11 3.03 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 0.00 0.00 0.00 129 Y 8.03 4.92 0.00 3.00 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 0.00 130 A 8.78 4.29 1.32 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 0.00 0.00 0.00