NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3349 8.1693 120.6294 54.5296 41.9537 175.3148 4 S 4.1116 8.2775 117.4939 57.6205 64.3004 174.1650 5 L 4.6888 8.9557 124.9508 53.9601 42.3425 177.5324 6 N 4.6388 7.7591 115.2644 53.7114 40.0707 175.1253 7 N 4.2409 8.6948 115.7451 54.2273 36.0688 174.9828 8 L 4.2422 8.0042 117.0272 55.0272 42.5881 176.7529 9 Q 4.6890 8.9652 121.0619 54.4046 32.5128 174.5006 10 N 4.4946 8.7239 112.7819 54.5874 36.0218 175.0125 11 I 4.1805 7.8012 117.5998 61.2016 38.4325 176.2453 12 I 4.4830 8.4801 127.3075 59.6574 40.0601 174.0610 13 Y 4.9115 8.6374 123.8072 56.7537 39.8557 175.5038 14 N 4.5609 9.1043 119.7049 52.4806 36.8026 173.0731 15 P 4.4163 0.0000 0.0000 62.5245 32.5497 176.7460 16 V 3.8454 8.2739 120.2238 62.7373 32.2233 175.1884 17 I 4.5922 8.0762 127.5120 58.6776 38.7824 173.6813 18 P 4.6527 0.0000 0.0000 62.9483 32.1091 175.1824 19 F 4.8361 9.0013 126.0017 56.4770 41.6371 174.4273 20 V 4.4012 7.6472 124.9169 61.0592 33.9448 174.5124 21 G 4.0516 8.5214 114.5434 44.3902 0.0000 171.3374 22 T 4.6678 8.4052 119.2454 63.0134 69.5612 174.4747 23 I 3.8909 8.8324 128.2817 60.2647 37.7255 175.7413 24 P 4.0622 0.0000 0.0000 65.1292 31.4033 175.0955 25 D 4.1692 6.5573 114.9060 52.5943 44.2622 174.0753 26 Q 4.1164 8.0065 122.2451 55.9913 29.9084 176.4639 27 L 4.6107 8.2108 125.5135 53.8454 40.5299 176.4966 28 D 4.5956 7.7599 120.9507 52.9255 42.1849 174.6213 29 P 4.4838 0.0000 0.0000 64.8648 31.6487 176.7192 30 G 4.1844 9.3840 111.4794 46.5459 0.0000 174.0634 31 T 4.2883 8.0830 117.3995 63.8046 69.6392 173.3736 32 L 5.3089 8.9606 125.8240 53.0299 44.9311 175.4143 33 I 4.5687 8.5195 123.0033 59.3546 40.5164 174.5252 34 V 4.6888 8.5013 127.2630 61.0348 34.2935 174.1772 35 I 4.8463 8.9270 128.6727 59.7117 40.3214 174.5111 36 R 4.9590 8.6023 127.0273 54.5391 32.8522 176.4195 37 G 3.6368 7.2618 107.6696 46.7631 0.0000 171.3880 38 H 5.0956 7.8980 114.3399 54.1055 32.8815 172.6476 39 V 4.3389 8.1686 119.6301 60.8459 32.6148 173.9689 40 P 4.6382 0.0000 0.0000 62.4273 31.8817 177.6076 41 S 4.1340 8.7123 115.7417 60.8333 62.9199 174.8334 42 D 4.7888 7.9242 117.7077 52.6338 39.4792 175.9428 43 A 4.3335 7.7888 122.9211 52.8430 19.0487 177.6919 44 D 5.1817 8.5866 120.4401 55.3350 43.7187 176.2629 45 R 4.5935 7.8102 112.3901 55.4383 32.4260 173.5859 46 F 5.5628 7.9748 114.5601 55.8385 42.2722 172.8303 47 Q 4.5557 9.4548 116.0435 54.5234 32.3496 173.8072 48 V 4.9138 8.7796 121.4523 61.3221 33.7889 173.8595 49 D 5.4195 9.6113 127.6771 52.5390 44.4142 174.7993 50 L 5.0610 8.9961 124.0857 53.6214 43.3466 175.6738 51 Q 5.1119 9.2776 123.4751 54.1503 32.5735 174.9666 52 N 4.8321 8.4339 121.4916 52.3674 38.3457 175.5751 53 G 3.9617 9.5173 113.7354 44.9810 0.0000 171.3053 54 S 4.7328 8.1938 109.7698 57.5287 63.6516 174.4004 55 S 4.2089 7.9582 116.0474 59.0942 63.3986 174.9467 56 V 3.7773 8.3815 121.9421 63.9120 32.2091 175.4419 57 K 4.4442 7.6537 119.9372 53.4736 34.1369 173.7974 58 P 4.4929 0.0000 0.0000 62.1864 31.9821 176.0409 59 R 4.0474 8.9084 120.1830 55.3836 30.4119 176.3650 60 A 4.1534 8.2082 127.5613 52.1657 19.1660 177.0453 61 D 4.4359 8.7469 120.6663 54.5510 42.6644 175.7856 62 V 4.6062 8.5496 122.3484 61.1301 33.0414 175.8291 63 A 4.2422 8.9429 131.3807 54.6992 19.1515 177.3211 64 F 4.8170 8.1801 118.7072 57.2858 42.6389 172.7398 65 H 5.2116 9.2468 127.8831 53.7901 31.6188 173.2391 66 F 4.3908 8.5824 129.0615 56.3768 41.5864 173.2557 67 N 4.6348 7.7832 125.6586 49.3605 40.0107 170.7277 68 P 4.0472 0.0000 0.0000 61.6302 32.8437 175.2112 69 R 4.1627 8.4311 122.3297 54.2744 33.4834 175.8644 70 F 4.9978 8.4686 120.6882 56.9940 40.5385 176.2608 71 K 4.0684 8.0532 121.4370 57.7778 33.6567 176.1465 72 R 3.5286 8.2596 124.0354 57.6981 29.1775 179.2611 73 A 4.0915 8.8195 129.9644 53.9389 18.5255 179.0722 74 G 4.1837 9.6859 100.5580 46.2287 0.0000 172.0313 75 C 4.6852 8.3150 113.7648 57.4269 33.8790 172.3774 76 I 4.4410 8.3615 119.4888 59.2745 40.0685 174.9975 77 V 4.5116 8.1519 127.2025 61.2349 33.6454 174.1439 78 C 5.6230 8.8175 124.9669 57.5473 31.6771 172.4102 79 N 5.2658 8.0402 118.8135 53.6141 42.6058 172.6419 80 T 5.3748 8.8125 116.5372 61.6477 73.0421 172.8452 81 L 4.8652 8.7394 127.2807 53.2544 44.4484 175.0501 82 I 4.8088 8.1681 126.6108 59.9121 40.8128 175.6171 83 N 4.0363 9.5615 124.8061 54.6653 36.4619 174.6052 84 E 3.6414 8.1889 111.1533 56.6675 27.7883 174.6828 85 K 4.5107 7.5404 118.8549 53.9346 34.7557 175.8565 86 W 4.7331 8.7025 123.8799 57.1403 29.6919 176.8929 87 G 4.4189 8.7721 112.0617 45.4867 0.0000 172.8562 88 R 4.3154 8.6537 119.1267 56.0534 30.0969 176.9191 89 E 4.4048 8.9248 123.7931 56.3679 30.7468 175.9608 90 E 4.7144 9.4437 123.3253 54.7461 32.1131 174.8922 91 I 4.7107 8.3739 125.2385 59.6884 39.6381 175.0425 92 T 4.5213 8.6584 123.4693 62.2024 70.3285 174.7804 93 Y 4.2145 8.7540 123.0833 58.5889 38.9648 175.6236 94 D 4.6511 7.9872 119.2471 52.9490 40.0098 174.0215 95 T 4.6805 8.0953 118.9885 59.2796 69.6997 172.1618 96 P 4.5289 0.0000 0.0000 63.3013 32.1794 176.1249 97 F 4.6845 7.8063 118.4808 57.4386 39.9247 175.0828 98 K 4.7074 8.4498 122.1230 54.6113 36.0933 175.8516 99 R 3.7929 8.3033 121.1232 58.1465 30.3166 176.8629 100 E 3.8329 9.2876 120.3753 56.3868 27.8962 173.8785 101 K 4.7554 7.7694 120.9751 54.4893 34.8805 175.7896 102 S 4.6918 8.5867 121.3259 57.7899 64.9801 173.0443 103 F 5.1114 8.4341 114.9605 55.2977 41.7424 173.2240 104 E 4.9362 9.7406 123.2644 54.8347 31.3300 174.3045 105 I 4.7934 9.1771 129.5283 60.1641 39.2793 175.2445 106 V 4.7008 8.9508 127.2604 61.2488 34.2894 174.1016 107 I 4.8038 8.6896 130.0689 60.0317 39.0553 174.3464 108 M 5.0563 9.1460 128.2472 53.7346 34.4963 174.7037 109 V 4.2323 8.7130 126.8785 62.4374 32.8740 175.1653 110 L 4.7180 8.1334 127.8950 52.5919 44.1461 176.7913 111 K 4.0128 8.7672 120.2413 59.4533 32.2365 177.0649 112 D 4.8377 7.7007 115.6254 53.7968 42.3629 175.0835 113 K 4.2766 7.0379 117.1171 55.9941 35.9114 174.1555 114 F 5.0961 8.8963 119.9611 56.3713 41.1409 174.8701 115 Q 5.1466 9.1789 123.3810 54.3262 31.9756 174.1018 116 V 5.0242 8.9197 125.8556 61.0631 34.4584 174.0368 117 A 5.3276 8.8871 128.3768 50.1086 22.8127 174.8912 118 V 4.7461 8.2507 119.3254 61.5671 34.8132 175.5896 119 N 3.9313 9.8119 125.4069 54.5524 36.5211 175.4189 120 G 3.9819 8.5400 103.3719 45.3906 0.0000 173.8150 121 K 4.6020 7.7785 119.1693 53.9746 35.0658 175.2571 122 H 4.4304 8.9467 122.4863 57.6022 30.3077 173.4508 123 T 4.6022 8.4793 122.0036 64.4229 70.3995 174.1510 124 L 4.5660 7.3938 118.5798 55.0081 43.5978 173.1053 125 L 5.3505 8.6068 119.1699 53.3777 44.9744 175.7600 126 Y 4.6341 8.8067 122.7793 55.9191 41.9329 174.6186 127 G 3.8237 8.3495 114.4652 46.0556 0.0000 172.7362 128 H 4.5811 8.3674 121.2331 55.9578 29.1615 175.7375 129 R 4.5257 8.8856 122.1837 56.2318 32.1014 176.3134 130 I 4.5667 7.6453 116.9748 58.6090 39.9537 175.4826 131 G 3.7674 8.5007 112.1158 44.6885 0.0000 172.7616 132 P 4.2748 0.0000 0.0000 65.2703 31.2606 178.3836 133 E 4.0709 8.1706 115.7793 58.6989 29.8146 178.3591 134 K 4.2527 8.2698 118.3669 57.0946 32.5744 176.3446 135 I 4.2724 7.4972 121.7027 61.0151 37.6981 175.2534 136 D 4.9449 9.0327 122.0728 53.1147 41.9794 174.8593 137 T 5.1554 7.9122 115.5739 62.0172 73.2895 172.1834 138 L 5.1722 9.2130 128.0297 53.3629 44.5722 175.0645 139 G 4.3444 9.4722 114.0369 44.4282 0.0000 171.9960 140 I 5.0867 8.2234 124.0190 59.5955 40.8417 174.2295 141 Y 5.0085 9.2201 123.5482 57.1069 42.6397 175.5272 142 G 4.1357 9.0937 105.8190 44.3344 0.0000 173.8603 143 K 4.5998 7.8193 118.5190 55.2023 31.2817 176.4561 144 V 4.3329 7.8736 122.1040 60.1200 34.6374 173.2793 145 N 4.7329 8.6138 121.6814 52.1041 40.8150 173.2151 146 I 4.4234 8.0350 127.8672 60.6412 38.6903 176.2143 147 H 4.4472 9.3248 128.6192 58.8466 30.7617 174.9897 148 S 4.8716 7.5185 110.5266 57.1619 66.2273 172.9869 149 I 4.7640 8.1845 121.8778 59.6156 40.7355 174.8311 150 G 4.3602 8.4669 112.2398 45.0087 0.0000 171.2622 151 F 5.1811 9.0503 117.6016 55.5252 43.9040 174.5625 152 S 4.7030 8.6694 115.4500 56.7084 64.9485 172.5513 153 F 5.1501 8.7365 126.5647 56.4593 40.2041 176.4650 154 S 4.2225 8.5906 115.6510 58.8281 62.9195 173.8202 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 3 L 8.17 4.33 0.00 1.66 1.73 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.28 4.11 0.00 4.06 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 5 L 8.96 4.69 0.00 1.62 1.64 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.76 4.64 0.00 2.71 2.74 0.00 0.00 7.23 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 7 N 8.69 4.24 0.00 2.89 2.93 0.00 0.00 7.00 7.85 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 8 L 8.00 4.24 0.00 1.60 1.55 0.84 0.85 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 9 Q 8.97 4.69 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.33 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 10 N 8.72 4.49 0.00 3.20 3.06 0.00 0.00 6.94 7.45 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 11 I 7.80 4.18 1.72 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.18 0.00 0.00 12 I 8.48 4.48 1.70 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.90 0.00 0.00 13 Y 8.64 4.91 0.00 2.86 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 14 N 9.10 4.56 0.00 2.80 2.85 0.00 0.00 6.98 7.92 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 15 P 0.00 4.42 0.00 2.02 1.75 0.00 3.90 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 16 V 8.27 3.85 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 0.86 0.00 0.00 0.97 0.00 0.00 17 I 8.08 4.59 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 1.05 0.00 0.00 18 P 0.00 4.65 0.00 2.25 2.36 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 19 F 9.00 4.84 0.00 3.21 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 20 V 7.65 4.40 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 0.81 0.00 0.00 0.95 0.00 0.00 21 G 8.52 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 0.00 0.00 0.00 22 T 8.41 4.67 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 1.18 0.00 0.00 23 I 8.83 3.89 1.97 0.00 0.00 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 1.43 0.96 0.89 0.00 0.00 24 P 0.00 4.06 0.00 1.92 2.04 0.00 2.92 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 25 D 6.56 4.17 0.00 1.58 1.54 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 26 Q 8.01 4.12 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.33 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 27 L 8.21 4.61 0.00 1.81 1.80 1.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.76 4.60 0.00 2.90 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.04 2.02 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 30 G 9.38 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 31 T 8.08 4.29 4.39 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 1.26 0.00 0.00 32 L 8.96 5.31 0.00 1.48 1.49 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.52 4.57 1.83 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 1.38 0.96 0.57 0.00 0.00 34 V 8.50 4.69 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 0.92 0.00 0.00 0.84 0.00 0.00 35 I 8.93 4.85 1.92 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 1.08 0.34 1.01 0.00 0.00 36 R 8.60 4.96 0.00 1.66 1.76 0.00 3.12 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 37 G 7.26 3.64 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 0.00 0.00 0.00 38 H 7.90 5.10 0.00 3.16 3.14 0.00 5.26 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.17 4.34 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 0.19 0.00 0.00 1.24 0.00 0.00 40 P 0.00 4.64 0.00 2.21 1.95 0.00 3.75 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 2.08 1.99 0.00 41 S 8.71 4.13 0.00 3.97 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 42 D 7.92 4.79 0.00 2.81 2.79 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 43 A 7.79 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.59 5.18 0.00 2.64 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 45 R 7.81 4.59 0.00 1.59 1.66 0.00 2.78 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 46 F 7.97 5.56 0.00 3.20 3.35 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 47 Q 9.45 4.56 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 48 V 8.78 4.91 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 0.99 0.00 0.00 1.09 0.00 0.00 49 D 9.61 5.42 0.00 2.83 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 50 L 9.00 5.06 0.00 1.69 1.74 0.91 0.82 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 51 Q 9.28 5.11 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 52 N 8.43 4.83 0.00 2.74 2.77 0.00 0.00 7.24 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 53 G 9.52 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.19 4.73 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 55 S 7.96 4.21 0.00 4.01 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 56 V 8.38 3.78 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 0.95 0.00 0.00 0.93 0.00 0.00 57 K 7.65 4.44 0.00 1.67 1.62 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.37 7.81 58 P 0.00 4.49 0.00 2.18 2.01 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 59 R 8.91 4.05 0.00 1.80 1.76 0.00 3.00 0.00 0.00 2.83 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 60 A 8.21 4.15 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 61 D 8.75 4.44 0.00 2.61 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 62 V 8.55 4.61 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 1.25 0.00 0.00 0.88 0.00 0.00 63 A 8.94 4.24 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.18 4.82 0.00 2.71 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 65 H 9.25 5.21 0.00 3.58 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.58 4.39 0.00 1.89 2.41 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 67 N 7.78 4.63 0.00 2.04 2.26 0.00 0.00 7.07 7.23 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 68 P 0.00 4.05 0.00 0.78 0.73 0.00 2.20 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 69 R 8.43 4.16 0.00 1.32 1.46 0.00 2.82 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.28 0.00 70 F 8.47 5.00 0.00 2.97 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 71 K 8.05 4.07 0.00 1.78 1.67 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.49 7.81 72 R 8.26 3.53 0.00 1.99 1.18 0.00 3.27 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 73 A 8.82 4.09 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 74 G 9.69 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 75 C 8.32 4.69 0.00 2.62 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 76 I 8.36 4.44 1.64 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 0.76 0.53 0.07 0.00 0.00 77 V 8.15 4.51 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 0.80 0.00 0.00 0.66 0.00 0.00 78 C 8.82 5.62 0.00 3.01 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 79 N 8.04 5.27 0.00 2.65 2.63 0.00 0.00 6.88 7.22 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 80 T 8.81 5.37 4.51 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 1.39 0.00 0.00 81 L 8.74 4.87 0.00 0.27 0.99 -0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.17 4.81 1.87 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 1.25 0.66 0.90 0.00 0.00 83 N 9.56 4.04 0.00 2.81 2.81 0.00 0.00 7.09 7.17 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 84 E 8.19 3.64 0.00 2.05 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 2.11 2.24 0.00 85 K 7.54 4.51 0.00 1.84 1.67 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 86 W 8.70 4.73 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 87 G 8.77 4.42 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 0.00 88 R 8.65 4.32 0.00 1.87 2.01 0.00 3.07 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 89 E 8.92 4.40 0.00 1.84 1.86 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 2.17 2.26 0.00 90 E 9.44 4.71 0.00 2.08 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 2.28 2.40 0.00 91 I 8.37 4.71 1.60 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.47 0.15 0.00 0.00 92 T 8.66 4.52 4.16 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 1.27 0.00 0.00 93 Y 8.75 4.21 0.00 3.01 2.99 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 94 D 7.99 4.65 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 95 T 8.10 4.68 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 96 P 0.00 4.53 0.00 1.97 2.03 0.00 3.84 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 1.11 1.75 0.00 97 F 7.81 4.68 0.00 3.38 3.43 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 98 K 8.45 4.71 0.00 1.81 1.65 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.52 7.81 99 R 8.30 3.79 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 100 E 9.29 3.83 0.00 2.07 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 2.21 2.21 0.00 101 K 7.77 4.76 0.00 1.85 1.90 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.36 7.81 102 S 8.59 4.69 0.00 3.82 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 0.00 103 F 8.43 5.11 0.00 3.16 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 0.00 104 E 9.74 4.94 0.00 2.04 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 2.21 2.26 0.00 105 I 9.18 4.79 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.69 0.00 0.00 106 V 8.95 4.70 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 0.97 0.00 0.00 0.92 0.00 0.00 107 I 8.69 4.80 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 1.03 0.00 0.00 108 M 9.15 5.06 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 109 V 8.71 4.23 2.16 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 0.89 0.00 0.00 1.21 0.00 0.00 110 L 8.13 4.72 0.00 1.62 1.54 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.77 4.01 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 112 D 7.70 4.84 0.00 2.73 2.57 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 0.00 113 K 7.04 4.28 0.00 1.71 1.71 0.00 1.46 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.37 7.81 114 F 8.90 5.10 0.00 2.49 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 0.00 115 Q 9.18 5.15 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 116 V 8.92 5.02 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 0.78 0.00 0.00 0.98 0.00 0.00 117 A 8.89 5.33 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 0.00 118 V 8.25 4.75 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 0.77 0.00 0.00 0.88 0.00 0.00 119 N 9.81 3.93 0.00 2.87 2.85 0.00 0.00 7.11 7.16 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 0.00 120 G 8.54 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 0.00 0.00 0.00 121 K 7.78 4.60 0.00 1.77 1.69 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.48 7.81 122 H 8.95 4.43 0.00 3.09 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.48 4.60 4.43 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 1.35 0.00 0.00 124 L 7.39 4.57 0.00 1.84 1.81 1.25 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.61 5.35 0.00 1.59 1.64 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.81 4.63 0.00 3.14 2.53 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 0.00 127 G 8.35 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 0.00 128 H 8.37 4.58 0.00 3.11 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.89 4.53 0.00 1.95 2.04 0.00 3.34 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 130 I 7.65 4.57 2.00 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 1.41 0.71 0.97 0.00 0.00 131 G 8.50 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 0.00 0.00 0.00 132 P 0.00 4.27 0.00 2.10 1.98 0.00 3.47 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 1.77 1.15 0.00 133 E 8.17 4.07 0.00 2.11 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 0.00 2.36 2.28 0.00 134 K 8.27 4.25 0.00 2.02 1.90 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 135 I 7.50 4.27 2.13 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 1.11 0.00 0.00 136 D 9.03 4.94 0.00 2.75 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 0.00 137 T 7.91 5.16 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 1.26 0.00 0.00 138 L 9.21 5.17 0.00 1.98 1.81 1.06 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 G 9.47 4.34 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 0.00 140 I 8.22 5.09 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.88 0.99 0.00 0.00 141 Y 9.22 5.01 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 0.00 142 G 9.09 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 0.00 0.00 0.00 143 K 7.82 4.60 0.00 1.91 1.87 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 144 V 7.87 4.33 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.16 0.00 0.00 145 N 8.61 4.73 0.00 2.58 2.24 0.00 0.00 7.27 7.74 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 0.00 146 I 8.04 4.42 1.74 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 1.13 1.43 0.82 0.00 0.00 147 H 9.32 4.45 0.00 3.12 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.52 4.87 0.00 3.40 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.76 1.56 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.48 0.53 0.00 0.00 150 G 8.47 4.36 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 0.00 151 F 9.05 5.18 0.00 2.71 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 0.00 0.00 0.00 152 S 8.67 4.70 0.00 3.79 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.74 5.15 0.00 3.03 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 0.00 154 S 8.59 4.22 0.00 4.05 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