NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4386 8.3193 115.2939 58.6479 63.6827 172.8988 3 T 4.5314 7.8914 115.3890 58.3059 72.9763 172.2728 4 P 4.2336 0.0000 0.0000 65.8367 31.6494 179.9349 5 A 4.1863 7.9999 118.7129 55.3962 18.4403 179.7158 6 R 3.9869 7.8595 116.4711 59.5548 30.1732 179.5972 7 R 3.9932 8.5891 118.3240 59.0740 30.0304 179.0726 8 R 3.9289 8.2975 118.8300 59.5591 30.1659 178.5916 9 L 4.1574 8.6109 119.1365 58.0984 41.5847 179.4388 10 M 4.2998 8.3089 118.7474 58.6631 32.0161 179.0768 11 R 4.0930 8.1000 118.0435 59.2228 30.2385 178.8629 12 D 4.5666 8.3816 119.0837 57.0958 40.7118 178.5669 13 F 4.7732 8.7136 121.4278 61.3490 39.4669 176.8986 14 K 3.6938 8.2571 119.3382 59.7601 31.8238 178.5755 15 R 3.9736 8.0115 118.2018 59.7599 29.7326 178.3307 16 M 4.3064 7.9210 117.2517 57.9536 32.1148 178.5822 17 K 4.1360 8.3638 118.6730 59.4661 32.2612 178.0962 18 E 4.2987 8.0976 117.2637 56.7723 30.9540 176.8366 19 D 4.7013 7.9577 120.1791 53.3494 40.9614 177.5211 20 A 4.1840 7.7220 122.3790 51.4075 19.4524 176.3631 21 P 4.4443 0.0000 0.0000 61.7770 32.1367 174.2115 22 P 4.4000 0.0000 0.0000 64.2158 31.6278 177.3335 23 G 4.0846 9.2138 110.8829 45.3593 0.0000 172.7537 24 V 5.1518 7.5354 112.2246 59.5183 34.9317 175.3682 25 S 4.9470 8.8281 117.4615 57.1100 66.6323 172.6554 26 A 5.3264 8.5592 121.0625 51.7322 22.1043 175.7003 27 S 3.9130 8.7529 112.5457 56.4821 66.5290 173.1899 28 P 4.2628 0.0000 0.0000 61.5203 32.5249 175.9431 29 L 4.0335 8.1908 120.9543 53.9773 41.9782 177.0571 30 P 4.3429 0.0000 0.0000 65.0372 31.2063 176.5645 31 D 4.7732 7.6484 116.2745 52.3348 40.3148 175.4892 32 N 4.5052 7.8668 117.4622 53.4310 39.9219 175.2314 33 V 3.7043 8.2258 125.1792 63.5741 31.9813 177.3813 34 M 4.4027 8.3131 120.1024 56.6394 32.5073 175.5359 35 V 5.0275 8.0240 119.2935 60.8908 34.4551 174.3685 36 W 5.4467 9.6944 127.3549 55.0237 33.3530 174.0475 37 N 5.5658 9.0066 118.9239 51.8687 41.3873 173.6278 38 A 5.2762 8.7532 122.7848 51.3638 23.9774 174.7941 39 M 5.3221 9.0941 115.4845 54.2609 35.0757 173.8618 40 I 5.1089 9.4910 123.2961 59.6222 40.2337 174.7587 41 I 4.3039 8.7993 129.0197 60.4184 38.1017 176.0971 42 G 4.1537 8.9172 114.6279 45.5768 0.0000 171.3120 43 P 4.5920 0.0000 0.0000 64.1847 32.7707 177.9997 44 A 3.5093 8.8242 117.4592 56.0298 18.1311 179.1492 45 D 4.8540 9.0921 119.4976 53.2672 41.6468 175.6333 46 T 4.8556 7.3658 109.0458 58.8968 72.1590 173.2423 47 P 4.4246 0.0000 0.0000 64.5315 31.6508 176.6153 48 Y 4.3209 7.8807 116.7632 58.6314 38.3606 174.5956 49 E 4.5259 7.6553 119.7261 57.5435 29.6140 176.6578 50 D 4.7035 9.1314 124.9981 54.5288 39.4970 174.3639 51 G 2.9486 7.6623 107.7845 45.7090 0.0000 174.3225 52 T 4.3002 7.7720 116.9461 60.2657 66.9231 174.3146 53 F 4.8291 8.1102 124.2239 58.1312 40.6176 175.8136 54 R 5.2273 9.5134 121.8648 54.7433 32.0320 175.4218 55 L 5.1928 9.1402 120.7920 52.8084 46.6584 174.9909 56 L 4.9449 8.8018 121.2427 53.6292 45.0958 174.7856 57 L 4.9391 8.9262 126.8325 52.8788 44.4723 175.3550 58 E 4.9943 8.6444 122.9749 54.6428 32.5095 175.5632 59 F 4.9410 9.5429 123.6957 55.8308 42.1483 173.8801 60 D 4.8698 8.2076 117.7198 52.0487 42.2192 175.5891 61 E 4.2574 8.7792 116.9283 58.3349 29.6688 177.5657 62 E 4.4066 7.9896 117.3966 56.4315 30.2288 175.6413 63 Y 4.8775 8.1058 121.6436 56.7102 39.6598 173.9335 64 P 4.3886 0.0000 0.0000 62.6503 31.7543 177.3894 65 N 4.5428 8.3109 118.6159 55.4301 38.3998 175.3125 66 K 4.4686 7.8860 119.1990 53.3522 34.4304 173.6590 67 P 2.9904 0.0000 0.0000 61.2466 31.8095 173.8210 68 P 4.1742 0.0000 0.0000 62.1603 32.8905 174.6500 69 H 4.4689 8.5986 120.9720 55.2645 30.9069 173.8821 70 V 4.6785 8.0384 125.5263 60.7939 33.8152 174.5242 71 K 4.7443 8.2918 125.1202 55.2983 36.5524 175.2926 72 F 4.7607 9.3007 121.4810 56.9689 39.5037 177.1721 73 L 4.1460 8.9762 127.0020 57.3156 41.8882 178.1728 74 S 4.5122 8.0559 113.3280 57.7286 63.6121 173.3980 75 E 4.1631 8.6648 124.0505 56.5438 29.9778 175.9185 76 M 4.8322 8.3202 123.9874 53.7792 35.8929 175.6353 77 F 4.8074 8.2963 121.7938 57.1682 40.3085 172.1746 78 H 4.7895 7.9245 124.2316 53.5137 32.9654 172.5860 79 P 4.2081 0.0000 0.0000 65.1239 31.4990 177.3401 80 N 4.7213 8.1805 113.2920 52.4538 38.9734 173.7516 81 V 4.6115 7.2792 118.9269 60.7563 33.4041 175.1456 82 Y 4.1874 9.0742 125.2386 57.7059 38.2629 177.1762 83 A 4.2546 8.7346 124.0403 54.2224 18.5298 178.0491 84 N 4.8596 8.4271 112.1197 52.2964 37.8036 175.9447 85 G 4.2505 8.2553 108.8748 46.9033 0.0000 174.0510 86 E 4.4597 8.3643 119.5986 56.5883 30.7521 175.9096 87 I 4.8653 8.3401 122.8455 59.7620 39.8889 174.7375 88 C 4.5930 9.0180 128.1204 58.1716 32.1985 173.1106 89 L 4.3846 8.2316 128.7282 52.6468 44.6278 175.2393 90 D 4.4162 9.1537 127.4133 56.9444 38.7447 178.8441 91 I 3.8181 7.6348 114.6260 62.4581 37.3000 177.4614 92 L 4.1942 7.8332 119.8411 54.2925 42.1506 177.0807 93 Q 4.5264 8.1133 113.5690 55.3925 28.7939 178.8141 94 N 4.4118 9.4011 126.8229 56.2591 37.0270 175.4122 95 R 4.6296 8.2728 118.1657 55.5068 30.6994 175.5473 96 W 4.5307 8.0514 127.3506 56.3964 31.6592 175.5338 97 T 4.5229 7.0837 113.6069 58.8326 71.0296 172.8749 98 P 4.8665 0.0000 0.0000 64.1111 31.2248 177.0006 99 T 3.9953 6.9191 108.2112 63.3959 69.3019 174.9895 100 Y 4.0134 7.1538 120.1978 57.8504 38.5413 174.2500 101 D 5.3900 9.3634 120.5995 50.1428 43.1277 176.1751 102 V 3.5676 8.6480 116.8803 66.3251 31.1621 177.5107 103 A 4.0995 8.2363 120.0369 55.6352 18.2112 179.7188 104 S 4.4616 8.3326 113.4877 60.9566 63.0030 176.7964 105 I 3.7942 7.9919 123.5065 64.3331 36.8656 178.3105 106 L 4.0222 8.2963 120.3957 57.9417 41.3613 179.7606 107 T 3.9383 8.1699 109.7574 65.0959 68.5210 176.6502 108 S 4.1803 8.0311 117.0671 61.3555 63.1177 176.5810 109 I 3.8050 7.8377 122.4626 64.0687 36.7803 178.0341 110 Q 4.2157 8.3981 120.8928 59.6449 28.9437 178.7155 111 S 4.3063 8.5839 116.2064 61.6299 62.9112 176.7552 112 L 3.9729 7.7233 121.6117 57.4571 40.9824 179.3051 113 F 4.1639 7.9459 117.2503 59.7884 38.8697 176.4400 114 N 5.0095 7.9873 114.2518 53.1152 39.8575 175.0523 115 D 4.6984 7.5911 119.0945 51.7928 41.6333 173.0000 116 P 4.1592 0.0000 0.0000 60.6160 30.1354 175.2325 117 N 4.3089 7.6635 120.2692 53.9531 39.3288 172.1643 118 P 4.5206 0.0000 0.0000 62.4869 30.9376 177.3256 119 A 3.8894 7.2869 121.8197 53.8677 18.7811 179.1414 120 S 4.6773 7.4197 111.4173 54.2446 63.1811 172.4045 121 P 4.2586 0.0000 0.0000 63.7826 32.0383 177.3201 122 A 3.5264 8.9910 124.6185 53.9706 19.0440 177.7863 123 N 4.6843 7.3829 116.1940 51.7815 39.8820 175.0395 124 V 3.5593 8.0862 128.4438 65.6224 31.7161 177.0024 125 E 3.9498 8.3286 118.4750 59.3790 29.5276 178.4250 126 A 3.4206 7.9728 120.0600 54.9352 18.2599 179.5239 127 A 3.8376 7.7156 118.8695 55.5282 18.5381 180.0235 128 T 3.8572 8.2998 108.8767 64.8970 68.8418 176.4912 129 L 4.1768 8.3663 123.4530 57.7792 41.9107 178.6665 130 F 3.8501 8.0697 119.9033 61.0062 39.2861 177.1142 131 K 3.9218 7.8520 116.9825 59.3681 32.0720 178.7760 132 D 4.4371 8.2984 117.6449 56.1587 42.7564 176.9836 133 H 4.9512 7.9085 114.4143 53.0911 29.0691 174.1939 134 K 3.8907 7.9936 122.8620 59.7066 32.2320 177.6461 135 S 4.1475 8.0588 113.9917 61.6618 62.9126 176.4698 136 Q 3.9829 8.3377 121.9714 58.4109 28.3776 177.7435 137 Y 4.3381 8.1826 120.1701 61.0587 38.8762 178.2504 138 V 3.2932 8.3058 119.2224 65.6972 31.5302 177.8012 139 K 3.7745 7.8539 119.2627 59.5978 31.9645 178.6482 140 R 3.5559 8.0122 119.2386 59.1878 29.7643 178.6047 141 V 3.4326 7.5454 117.9950 65.9752 31.4825 178.0503 142 K 3.7581 7.8933 118.1749 59.6152 31.7507 179.1126 143 E 3.8702 7.9204 119.0263 59.4841 29.3495 179.4457 144 T 3.9276 7.5435 109.9712 64.3401 68.7073 177.1440 145 V 3.1039 7.2928 120.5554 65.6278 31.7361 177.5192 146 E 3.3630 7.5803 118.1245 59.2217 29.3840 179.3242 147 K 3.8701 8.0421 119.7628 59.4851 31.9006 178.8161 148 S 4.1494 7.6008 113.9008 60.9367 63.0088 176.5046 149 W 4.5025 8.0054 122.7128 59.9034 28.8506 178.4732 150 E 4.1424 8.3953 117.7236 59.3542 28.6043 179.0544 151 D 4.4098 7.9349 118.5987 57.3263 40.9524 177.9733 152 D 4.6154 8.0452 117.9936 56.4347 40.9192 176.9122 153 M 4.4939 7.3605 118.3546 55.1939 32.0219 176.0228 154 D 4.5732 7.9101 124.7354 54.4995 41.5754 175.8552 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 S 8.32 4.44 0.00 3.87 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 3 T 7.89 4.53 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 1.29 0.00 0.00 4 P 0.00 4.23 0.00 2.21 2.18 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 5 A 8.00 4.19 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.86 3.99 0.00 2.05 2.04 0.00 3.30 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 7 R 8.59 3.99 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 8 R 8.30 3.93 0.00 2.13 2.15 0.00 3.41 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 9 L 8.61 4.16 0.00 1.99 1.91 0.62 -0.45 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 10 M 8.31 4.30 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.10 0.00 11 R 8.10 4.09 0.00 2.14 2.05 0.00 3.15 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 12 D 8.38 4.57 0.00 3.21 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 13 F 8.71 4.77 0.00 3.24 3.26 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 14 K 8.26 3.69 0.00 1.85 2.01 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.58 7.81 15 R 8.01 3.97 0.00 2.06 2.21 0.00 3.24 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 16 M 7.92 4.31 0.00 2.33 2.65 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 3.16 0.00 17 K 8.36 4.14 0.00 1.69 1.73 0.00 0.86 0.00 0.00 1.33 0.00 0.00 2.65 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 0.88 7.81 18 E 8.10 4.30 0.00 1.95 1.92 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 2.26 2.25 0.00 19 D 7.96 4.70 0.00 2.59 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 20 A 7.72 4.18 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 21 P 0.00 4.44 0.00 2.26 2.05 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 22 P 0.00 4.40 0.00 2.09 2.04 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 23 G 9.21 4.08 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 0.00 24 V 7.54 5.15 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 0.92 0.00 0.00 1.06 0.00 0.00 25 S 8.83 4.95 0.00 3.95 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 26 A 8.56 5.33 1.51 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 0.00 0.00 27 S 8.75 3.91 0.00 3.62 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 28 P 0.00 4.26 0.00 1.34 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.44 0.00 29 L 8.19 4.03 0.00 1.88 1.58 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.34 0.00 2.15 2.17 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 31 D 7.65 4.77 0.00 2.74 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 32 N 7.87 4.51 0.00 2.79 2.69 0.00 0.00 6.98 7.83 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 33 V 8.23 3.70 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 0.82 0.00 0.00 0.96 0.00 0.00 34 M 8.31 4.40 0.00 2.37 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 35 V 8.02 5.03 2.14 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 1.04 0.00 0.00 0.99 0.00 0.00 36 W 9.69 5.45 0.00 3.23 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 37 N 9.01 5.57 0.00 2.73 2.72 0.00 0.00 6.85 6.69 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 38 A 8.75 5.28 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 39 M 9.09 5.32 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 40 I 9.49 5.11 2.34 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.23 1.27 0.00 0.00 41 I 8.80 4.30 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.96 0.00 0.00 42 G 8.92 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.59 0.00 2.22 2.14 0.00 3.43 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 2.38 2.28 0.00 44 A 8.82 3.51 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 45 D 9.09 4.85 0.00 2.73 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 46 T 7.37 4.86 4.58 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 1.45 0.00 0.00 47 P 0.00 4.42 0.00 1.88 2.15 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.07 0.00 48 Y 7.88 4.32 0.00 2.93 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 49 E 7.66 4.53 0.00 2.27 1.96 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 0.00 2.42 2.40 0.00 50 D 9.13 4.70 0.00 3.19 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 51 G 7.66 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 0.00 0.00 0.00 52 T 7.77 4.30 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 1.34 0.00 0.00 53 F 8.11 4.83 0.00 3.42 3.33 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 54 R 9.51 5.23 0.00 1.93 2.21 0.00 2.78 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 55 L 9.14 5.19 0.00 1.43 1.43 0.90 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.80 4.94 0.00 1.59 1.40 0.89 0.76 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 57 L 8.93 4.94 0.00 1.53 0.83 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.64 4.99 0.00 1.74 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 2.19 2.17 0.00 59 F 9.54 4.94 0.00 2.69 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 60 D 8.21 4.87 0.00 2.77 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 61 E 8.78 4.26 0.00 2.02 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 0.00 2.36 2.31 0.00 62 E 7.99 4.41 0.00 2.17 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 2.31 2.26 0.00 63 Y 8.11 4.88 0.00 3.09 2.94 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 64 P 0.00 4.39 0.00 2.23 1.38 0.00 3.65 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 65 N 8.31 4.54 0.00 2.95 3.00 0.00 0.00 6.62 6.95 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 66 K 7.89 4.47 0.00 1.74 1.64 0.00 1.82 0.00 0.00 2.20 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.26 7.81 67 P 0.00 2.99 0.00 1.34 0.49 0.00 3.45 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 68 P 0.00 4.17 0.00 0.79 0.49 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 69 H 8.60 4.47 0.00 3.05 3.03 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.04 4.68 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.61 0.00 0.00 71 K 8.29 4.74 0.00 1.94 1.67 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.36 7.81 72 F 9.30 4.76 0.00 3.18 3.17 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 0.00 0.00 0.00 0.00 73 L 8.98 4.15 0.00 1.80 1.79 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.06 4.51 0.00 4.21 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 75 E 8.66 4.16 0.00 1.98 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 2.33 2.37 0.00 76 M 8.32 4.83 0.00 1.62 1.71 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.42 0.00 77 F 8.30 4.81 0.00 2.82 2.89 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 0.00 0.00 0.00 78 H 7.92 4.79 0.00 3.08 2.80 0.00 5.94 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.21 0.00 1.90 1.85 0.00 2.91 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 80 N 8.18 4.72 0.00 2.67 2.85 0.00 0.00 6.57 7.68 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 81 V 7.28 4.61 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 0.85 0.00 0.00 0.62 0.00 0.00 82 Y 9.07 4.19 0.00 3.19 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 83 A 8.73 4.25 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 84 N 8.43 4.86 0.00 2.84 2.91 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.26 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 0.00 0.00 0.00 0.00 86 E 8.36 4.46 0.00 2.06 1.92 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 2.49 2.31 0.00 87 I 8.34 4.87 1.85 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.88 0.00 0.00 88 C 9.02 4.59 0.00 2.70 2.78 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 89 L 8.23 4.38 0.00 1.65 1.40 0.87 1.09 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 90 D 9.15 4.42 0.00 2.91 2.93 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 0.00 0.00 0.00 0.00 91 I 7.63 3.82 1.37 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.12 0.91 0.00 0.00 92 L 7.83 4.19 0.00 1.73 1.69 0.85 0.60 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 93 Q 8.11 4.53 0.00 2.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 94 N 9.40 4.41 0.00 2.85 2.99 0.00 0.00 5.80 7.66 0.00 0.00 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 R 8.27 4.63 0.00 1.90 1.98 0.00 3.28 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 96 W 8.05 4.53 0.00 3.45 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 97 T 7.08 4.52 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 1.28 0.00 0.00 98 P 0.00 4.87 0.00 2.14 2.31 0.00 3.27 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 99 T 6.92 4.00 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 1.06 0.00 0.00 100 Y 7.15 4.01 0.00 1.85 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 0.00 101 D 9.36 5.39 0.00 3.13 2.82 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 0.00 102 V 8.65 3.57 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 1.08 0.00 0.00 0.12 0.00 0.00 103 A 8.24 4.10 1.51 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 0.00 0.00 104 S 8.33 4.46 0.00 4.29 4.17 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 0.00 0.00 0.00 0.00 105 I 7.99 3.79 2.13 0.00 0.00 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 1.84 1.01 0.88 0.00 0.00 106 L 8.30 4.02 0.00 1.88 1.79 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.17 3.94 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 1.30 0.00 0.00 108 S 8.03 4.18 0.00 4.08 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 0.00 109 I 7.84 3.80 1.95 0.00 0.00 0.66 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 0.76 0.79 0.00 0.00 110 Q 8.40 4.22 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 111 S 8.58 4.31 0.00 4.02 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 0.00 112 L 7.72 3.97 0.00 1.42 1.26 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.95 4.16 0.00 3.15 2.93 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 0.00 0.00 0.00 0.00 114 N 7.99 5.01 0.00 2.89 2.95 0.00 0.00 6.67 8.08 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 0.00 115 D 7.59 4.70 0.00 2.60 2.50 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 0.00 116 P 0.00 4.16 0.00 1.14 1.76 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 117 N 7.66 4.31 0.00 2.62 2.70 0.00 0.00 7.31 7.69 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 0.00 118 P 0.00 4.52 0.00 2.08 2.00 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 119 A 7.29 3.89 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 0.00 120 S 7.42 4.68 0.00 3.91 3.83 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 0.00 121 P 0.00 4.26 0.00 2.07 1.98 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 122 A 8.99 3.53 0.20 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 0.00 0.00 0.00 123 N 7.38 4.68 0.00 2.81 2.65 0.00 0.00 6.81 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 0.00 124 V 8.09 3.56 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 1.03 0.00 0.00 0.91 0.00 0.00 125 E 8.33 3.95 0.00 2.17 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 0.00 2.69 2.53 0.00 126 A 7.97 3.42 0.61 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 0.00 127 A 7.72 3.84 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 0.00 128 T 8.30 3.86 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 1.25 0.00 0.00 129 L 8.37 4.18 0.00 2.31 2.08 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.07 3.85 0.00 2.58 3.05 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 0.00 131 K 7.85 3.92 0.00 1.90 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.78 7.81 132 D 8.30 4.44 0.00 2.57 2.47 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 0.00 133 H 7.91 4.95 0.00 3.27 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.99 3.89 0.00 1.61 1.77 0.00 1.29 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.18 7.81 135 S 8.06 4.15 0.00 4.10 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 0.00 136 Q 8.34 3.98 0.00 2.36 2.21 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 2.37 2.39 0.00 137 Y 8.18 4.34 0.00 3.32 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 0.00 138 V 8.31 3.29 2.24 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 0.90 0.00 0.00 1.15 0.00 0.00 139 K 7.85 3.77 0.00 1.96 1.88 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.39 7.81 140 R 8.01 3.56 0.00 1.50 1.18 0.00 2.78 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 141 V 7.55 3.43 1.73 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 0.10 0.00 0.00 0.23 0.00 0.00 142 K 7.89 3.76 0.00 1.85 1.74 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.56 7.81 143 E 7.92 3.87 0.00 2.09 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 2.23 2.41 0.00 144 T 7.54 3.93 4.59 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 1.30 0.00 0.00 145 V 7.29 3.10 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 0.16 0.00 0.00 0.96 0.00 0.00 146 E 7.58 3.36 0.00 2.02 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 2.26 2.14 0.00 147 K 8.04 3.87 0.00 1.78 1.79 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 S 7.60 4.15 0.00 3.93 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 0.00 149 W 8.01 4.50 0.00 3.60 3.07 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 0.00 150 E 8.40 4.14 0.00 2.05 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 2.48 2.67 0.00 151 D 7.93 4.41 0.00 2.94 2.78 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 0.00 152 D 8.05 4.62 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 M 7.36 4.49 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 154 D 7.91 4.57 0.00 2.77 2.54 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