NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4387 8.3349 115.4126 57.4974 64.3545 173.5405 2 K 3.9080 8.5651 122.4488 56.4038 32.4055 175.0124 3 T 4.3476 8.4022 113.9361 61.8935 70.4795 173.8053 4 N 4.5631 7.9952 119.9404 52.4808 39.6071 173.3143 5 P 4.3034 0.0000 0.0000 65.5403 31.4176 178.9729 6 R 3.8333 8.3217 117.0295 59.2512 30.1023 178.5659 7 L 3.9746 8.1177 119.5763 58.2712 42.0945 178.7601 8 S 4.0652 8.0838 112.9293 61.5454 62.3105 176.4803 9 S 4.0848 7.9383 117.7194 61.4920 62.5309 176.0923 10 L 3.9020 8.2743 123.4715 58.5291 41.7034 179.2773 11 I 3.6941 7.8041 119.1936 64.2969 37.0740 178.2576 12 A 4.0185 7.8049 121.2246 55.2547 18.2693 179.5083 13 D 4.2709 8.5444 117.8611 57.4403 41.0404 178.8108 14 L 3.9266 8.1634 119.8020 57.7033 41.5646 179.9512 15 K 4.0084 8.0542 118.3042 59.6157 32.2544 179.3235 16 S 4.1064 8.1641 113.0405 61.1427 62.1644 176.0564 17 A 4.1221 7.9517 122.7111 54.7134 18.3840 179.2104 18 A 4.8762 7.7798 119.2605 54.7393 18.4386 179.8682 19 R 4.1211 7.9437 115.5557 59.6910 30.5658 178.8668 20 S 4.2372 7.7702 113.3274 62.5614 63.2445 176.7209 21 S 4.4960 8.2723 117.8663 58.2969 64.2800 174.5274 22 G 3.9427 8.5610 109.7054 45.7425 0.0000 174.3345 23 G 3.5745 8.0618 110.2120 45.0799 0.0000 174.0903 24 A 4.5947 8.2225 125.2634 52.2803 21.0452 178.8951 25 V 3.5991 7.2437 109.5583 63.8965 31.7031 178.2643 26 W 4.7958 7.5834 118.3689 60.0046 28.9499 178.5263 27 G 3.7260 8.1492 104.9783 47.3205 0.0000 175.2868 28 D 4.3469 7.6712 119.2042 57.2190 41.2576 178.4980 29 V 3.6443 8.7332 119.1879 65.6814 31.5570 177.8621 30 A 4.0272 8.2380 120.6792 55.3491 18.0364 179.5127 31 E 3.9713 7.9568 115.7904 59.4333 29.6095 179.2353 32 R 4.0908 7.6895 118.4283 59.1085 29.9295 178.5005 33 L 3.7988 7.8763 118.2746 57.5798 41.6688 178.9749 34 E 4.1574 8.1444 117.7527 58.0151 29.5525 177.7100 35 K 4.2840 6.9537 117.6735 54.9328 33.0326 174.8732 36 P 4.2760 0.0000 0.0000 63.0535 31.9776 177.8817 37 R 3.4353 8.6822 120.8504 59.2465 30.1534 179.2529 38 R 3.9882 7.8934 113.1171 58.7362 29.4907 177.4601 39 T 4.2096 7.7166 107.4797 62.8116 69.4626 174.9219 40 H 4.3364 7.7626 119.2997 55.7436 29.4835 174.4355 41 A 4.3147 8.2053 123.7827 51.7780 19.8078 176.6312 42 E 4.9122 8.8559 121.6500 54.4587 31.4769 174.6519 43 V 4.3976 8.6178 124.7382 60.9385 34.0251 175.2397 44 N 5.5913 8.5731 124.2696 51.5469 40.1166 176.0599 45 L 4.1596 8.3494 119.7591 57.9672 41.3320 180.1511 46 G 3.7143 8.1829 105.1871 47.5345 0.0000 175.2548 47 R 4.1628 7.8410 120.7070 58.9521 30.2362 178.5134 48 I 3.8354 7.6854 119.4091 64.2665 36.9792 177.7999 49 E 3.9558 8.1061 119.3668 59.0944 29.4841 178.5949 50 R 3.8195 7.3004 116.7854 58.6492 30.2543 177.0953 51 Y 4.7512 7.4964 112.0649 56.8531 39.1958 175.6125 52 A 4.6750 7.4442 123.3150 50.9510 20.3609 176.5230 53 Q 4.6478 8.0637 116.1236 53.9173 31.8853 174.8269 54 E 4.2260 8.6285 118.6292 57.8258 30.0116 176.3307 55 D 4.3982 8.8340 118.6017 55.0668 38.3459 173.6027 56 E 4.5434 7.7466 119.5628 54.6421 32.1711 175.1329 57 T 4.1818 8.3939 124.9827 63.9432 69.8699 173.7931 58 V 4.4230 9.2382 127.3170 62.2315 33.1088 174.6624 59 V 4.7595 9.0937 129.1123 61.3086 33.3203 174.3459 60 V 4.9026 9.1261 129.4269 59.0767 33.1103 174.4756 61 P 4.7351 0.0000 0.0000 59.5753 29.5235 175.4570 62 G 4.3285 6.7140 116.6971 47.0781 0.0000 171.5862 63 K 4.8987 9.0800 126.1589 54.2990 35.4810 174.4099 64 V 4.7255 8.3729 126.4873 61.4539 33.7232 174.6862 65 L 5.0003 9.3214 127.6627 52.5172 45.2960 176.4725 66 G 4.0938 8.4939 106.2604 46.8808 0.0000 173.7759 67 S 4.4778 8.2619 117.0316 58.8879 64.4212 175.1126 68 G 4.1172 9.0449 109.6584 45.1379 0.0000 172.1375 69 V 4.2732 7.8831 117.5715 60.6204 33.1324 174.2919 70 L 4.8167 8.4786 128.2920 53.5200 43.7567 175.3951 71 Q 4.5121 9.5412 125.1645 56.5829 30.8102 176.8822 72 K 4.0790 8.1634 116.4881 56.7035 32.8478 177.0475 73 D 5.5686 8.5113 123.4443 52.6779 39.7136 174.9901 74 V 4.5503 7.7174 115.2594 59.4156 36.1940 174.7142 75 T 4.8664 8.3479 118.8439 62.2510 70.4391 173.6619 76 V 4.8550 8.8136 127.3115 61.1816 33.8733 174.1155 77 A 5.9400 9.8520 130.2487 49.6323 21.7415 175.0957 78 A 4.8905 8.2705 122.1991 50.7184 22.6480 177.1332 79 V 3.5929 8.3335 119.4479 66.1783 32.0593 175.6238 80 D 4.6624 7.2507 116.8021 53.3976 44.4921 174.1756 81 F 5.4316 8.6900 120.5183 55.3881 42.8574 175.1919 82 S 4.3235 9.0925 117.1558 58.0050 63.9701 175.2708 83 G 3.8722 9.0549 108.0584 48.8662 0.0000 176.0663 84 T 3.9736 7.9238 117.0869 65.9384 68.5316 176.6701 85 A 3.9905 8.0328 122.8254 55.2874 18.5088 179.1567 86 E 3.6413 8.2809 117.6764 59.6625 29.3911 179.2424 87 T 3.7921 7.4362 114.3761 66.6986 68.4301 176.5508 88 K 4.1246 8.5069 120.7199 59.3768 32.0399 179.5514 89 I 3.7226 8.1652 120.4726 64.5965 36.9238 178.2454 90 D 4.6973 7.6630 118.8514 56.3015 40.6071 178.4326 91 Q 4.2110 7.6301 117.6291 57.8288 29.0104 176.9806 92 V 4.5430 7.2989 109.7523 60.4344 34.2868 174.1876 93 G 4.6524 7.9363 111.5651 45.1809 0.0000 174.9980 94 E 5.0863 9.2826 128.0225 54.8180 33.0844 173.3208 95 A 4.6100 9.1573 130.4687 51.0084 19.7066 176.5319 96 V 4.6100 9.4334 123.1919 60.8969 35.6344 175.3257 97 S 5.1121 8.5905 119.5983 57.5669 64.5044 175.2193 98 L 3.9748 8.3491 121.5472 58.0484 40.7960 179.7730 99 E 3.8648 8.1163 118.0352 59.2404 29.2705 179.4087 100 Q 3.7821 7.8407 117.4448 58.8546 28.9126 178.0730 101 A 4.0141 7.7881 121.6533 55.4918 18.0059 179.7402 102 I 2.8213 7.3499 118.0143 64.0158 36.7741 178.3732 103 E 3.9479 7.2353 119.0460 59.3594 29.6282 178.2907 104 N 4.5715 8.1825 115.5014 55.0427 40.1474 175.1130 105 N 5.1718 8.6200 117.8730 51.2340 38.8464 173.0239 106 P 4.6993 0.0000 0.0000 65.0356 32.0992 178.0262 107 E 4.2331 8.5348 117.2362 56.3070 30.1201 176.2316 108 G 3.5418 8.3347 108.2393 46.2067 0.0000 173.4288 109 S 4.5281 8.4304 111.2554 57.6281 65.5823 173.8766 110 H 3.9986 8.4276 116.8893 56.4406 25.5555 173.8443 111 V 4.7131 7.1821 116.7700 60.0678 35.1307 175.5976 112 R 4.5071 9.1879 125.0673 54.4560 32.0886 174.8502 113 V 4.4176 8.3794 127.1167 62.6974 32.2854 175.0323 114 I 4.7768 9.0995 129.0284 59.4148 40.7770 176.1338 115 R 4.1678 8.3239 121.3023 56.5453 29.3515 174.7431 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 8.33 4.44 0.00 3.99 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 2 K 8.57 3.91 0.00 1.85 1.80 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 T 8.40 4.35 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 1.21 0.00 0.00 4 N 8.00 4.56 0.00 2.80 2.70 0.00 0.00 7.23 7.71 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 5 P 0.00 4.30 0.00 2.19 2.09 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.32 3.83 0.00 1.95 1.96 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 7 L 8.12 3.97 0.00 1.75 1.84 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.08 4.07 0.00 4.04 3.98 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 0.00 0.00 0.00 9 S 7.94 4.08 0.00 4.07 3.87 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 10 L 8.27 3.90 0.00 1.68 1.85 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.80 3.69 2.03 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 1.46 0.84 0.92 0.00 0.00 12 A 7.80 4.02 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 13 D 8.54 4.27 0.00 2.73 2.63 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 0.00 0.00 0.00 14 L 8.16 3.93 0.00 1.88 2.02 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.05 4.01 0.00 2.03 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.16 4.11 0.00 3.90 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 17 A 7.95 4.12 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.78 4.88 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 4.12 0.00 1.83 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 20 S 7.77 4.24 0.00 3.99 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 21 S 8.27 4.50 0.00 4.27 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 22 G 8.56 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 0.00 0.00 0.00 23 G 8.06 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.22 4.59 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 25 V 7.24 3.60 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 0.61 0.00 0.00 -0.38 0.00 0.00 26 W 7.58 4.80 0.00 3.36 3.22 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 0.00 27 G 8.15 3.73 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 0.00 0.00 0.00 28 D 7.67 4.35 0.00 3.04 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 29 V 8.73 3.64 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 1.03 0.00 0.00 1.10 0.00 0.00 30 A 8.24 4.03 1.44 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 0.00 0.00 0.00 31 E 7.96 3.97 0.00 2.15 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 0.00 2.36 2.44 0.00 32 R 7.69 4.09 0.00 1.92 2.03 0.00 3.30 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.88 3.80 0.00 1.79 1.69 0.90 0.61 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 34 E 8.14 4.16 0.00 2.11 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 2.36 2.61 0.00 35 K 6.95 4.28 0.00 2.02 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.60 7.81 36 P 0.00 4.28 0.00 2.15 1.97 0.00 3.62 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 2.11 2.12 0.00 37 R 8.68 3.44 0.00 1.79 1.90 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 R 7.89 3.99 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.72 4.21 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 1.21 0.00 0.00 40 H 7.76 4.34 0.00 3.28 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.21 4.31 1.26 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 0.00 0.00 0.00 42 E 8.86 4.91 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 43 V 8.62 4.40 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.57 5.59 0.00 2.81 2.98 0.00 0.00 7.62 6.74 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 45 L 8.35 4.16 0.00 1.80 1.74 0.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.18 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 0.00 0.00 0.00 0.00 47 R 7.84 4.16 0.00 1.91 2.00 0.00 3.18 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 48 I 7.69 3.84 2.04 0.00 0.00 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 1.59 0.82 0.97 0.00 0.00 49 E 8.11 3.96 0.00 1.94 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 2.39 2.31 0.00 50 R 7.30 3.82 0.00 1.71 1.46 0.00 2.39 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 51 Y 7.50 4.75 0.00 3.02 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 52 A 7.44 4.68 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 53 Q 8.06 4.65 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 54 E 8.63 4.23 0.00 1.99 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 2.33 2.35 0.00 55 D 8.83 4.40 0.00 2.83 2.75 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 56 E 7.75 4.54 0.00 1.97 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 2.23 2.30 0.00 57 T 8.39 4.18 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 1.36 0.00 0.00 58 V 9.24 4.42 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 9.09 4.76 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 0.92 0.00 0.00 1.15 0.00 0.00 60 V 9.13 4.90 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 1.06 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.74 0.00 2.12 2.20 0.00 4.03 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 6.71 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 0.00 0.00 0.00 0.00 63 K 9.08 4.90 0.00 1.71 1.58 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.29 7.81 64 V 8.37 4.73 2.09 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 1.08 0.00 0.00 0.77 0.00 0.00 65 L 9.32 5.00 0.00 1.84 1.54 0.93 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.49 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 67 S 8.26 4.48 0.00 4.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.04 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 0.00 0.00 0.00 69 V 7.88 4.27 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.48 4.82 0.00 1.60 1.52 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.54 4.51 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.16 4.08 0.00 1.75 1.75 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.81 7.81 73 D 8.51 5.57 0.00 2.81 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 74 V 7.72 4.55 2.12 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 0.77 0.00 0.00 0.96 0.00 0.00 75 T 8.35 4.87 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 76 V 8.81 4.86 2.31 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 1.17 0.00 0.00 1.03 0.00 0.00 77 A 9.85 5.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.27 4.89 0.57 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.33 3.59 2.12 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 0.70 0.00 0.00 0.89 0.00 0.00 80 D 7.25 4.66 0.00 2.68 2.37 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 81 F 8.69 5.43 0.00 2.87 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 82 S 9.09 4.32 0.00 3.94 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 83 G 9.05 3.87 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 0.00 0.00 0.00 84 T 7.92 3.97 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 1.23 0.00 0.00 85 A 8.03 3.99 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.28 3.64 0.00 2.03 1.91 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 2.14 1.92 0.00 87 T 7.44 3.79 4.46 0.00 0.00 0.00 0.00 0.00 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 88 K 8.51 4.12 0.00 1.88 1.87 0.00 1.69 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 1.46 1.66 7.81 89 I 8.17 3.72 1.77 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 0.89 0.00 0.00 90 D 7.66 4.70 0.00 2.67 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 91 Q 7.63 4.21 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 92 V 7.30 4.54 2.22 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 0.76 0.00 0.00 0.97 0.00 0.00 93 G 7.94 4.65 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 0.00 0.00 0.00 94 E 9.28 5.09 0.00 2.02 1.75 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 2.17 2.23 0.00 95 A 9.16 4.61 0.50 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 96 V 9.43 4.61 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.59 5.11 0.00 4.22 4.05 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 98 L 8.35 3.97 0.00 1.75 1.67 0.99 0.88 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 99 E 8.12 3.86 0.00 2.01 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 2.36 2.40 0.00 100 Q 7.84 3.78 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.79 4.01 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 0.00 102 I 7.35 2.82 1.50 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.60 0.51 0.00 0.00 103 E 7.24 3.95 0.00 1.83 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 0.00 2.30 2.32 0.00 104 N 8.18 4.57 0.00 2.77 2.90 0.00 0.00 6.78 7.63 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 0.00 105 N 8.62 5.17 0.00 2.85 3.07 0.00 0.00 6.92 7.28 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 0.00 106 P 0.00 4.70 0.00 2.30 2.30 0.00 3.58 0.00 0.00 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 107 E 8.53 4.23 0.00 2.16 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 2.42 2.40 0.00 108 G 8.33 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 0.00 0.00 0.00 109 S 8.43 4.53 0.00 3.98 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 0.00 110 H 8.43 4.00 0.00 3.33 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.18 4.71 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 0.45 0.00 0.00 0.96 0.00 0.00 112 R 9.19 4.51 0.00 2.01 1.83 0.00 3.12 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 113 V 8.38 4.42 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 0.86 0.00 0.00 0.86 0.00 0.00 114 I 9.10 4.78 1.91 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 1.32 0.98 0.97 0.00 0.00 115 R 8.32 4.17 0.00 1.84 1.81 0.00 3.04 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00