NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2021 8.1631 117.3696 63.6732 68.6140 172.8697 3 G 3.8604 7.9808 115.2546 42.8595 0.0000 168.7069 4 H 4.7348 10.1257 118.1152 54.6087 30.5264 174.3395 5 I 4.1825 8.5374 124.4101 62.1319 39.0303 175.5322 6 D 5.0629 7.6761 116.9378 51.3100 44.1624 173.7884 7 P 4.5300 0.0000 0.0000 62.6660 32.4815 176.8774 8 T 4.3329 8.1624 110.5596 60.9282 71.3391 175.8464 9 K 3.9641 8.5756 121.5325 59.9318 32.2349 179.4021 10 E 3.9929 8.1206 118.0740 59.5426 29.5395 179.5062 11 V 3.9561 7.6465 119.5200 65.4004 31.6073 177.8652 12 F 4.1232 8.5871 120.2984 60.9309 39.0932 177.0153 13 A 4.0518 8.1498 120.7975 55.2729 17.6746 179.5396 14 Q 3.9504 7.9708 116.2707 58.9032 28.5057 178.8671 15 F 3.9542 7.8887 120.7174 61.4692 39.5143 177.1463 16 R 3.8731 7.6478 115.8941 59.0589 29.8833 178.4893 17 A 4.2058 8.1070 120.2093 54.0638 19.3756 178.0157 18 N 4.5621 7.4659 116.4315 51.9015 37.5349 174.4238 19 D 4.8198 7.8054 128.2796 51.8375 40.5936 177.8080 20 R 3.9408 7.2508 115.9358 56.8726 29.9898 175.9556 21 E 3.8999 8.5601 121.9519 56.0310 30.2297 175.3204 22 G 4.3268 8.7220 110.6021 42.2408 0.0000 171.3977 23 P 4.6223 0.0000 0.0000 62.5835 32.1644 175.8845 24 I 4.6762 8.4120 113.8921 59.8396 40.6210 174.6132 25 H 5.8914 8.7684 122.4209 53.2092 32.6049 172.1523 *27 L 4.4073 8.2362 119.8169 55.7798 43.5931 175.8750 28 N 5.0212 8.9781 124.5715 51.3945 40.8880 173.7601 29 L 4.4551 8.2933 124.5786 52.7404 43.9543 175.6479 30 V 4.6383 8.7615 124.7917 60.8789 34.5814 173.9995 31 R 4.9990 9.3027 128.6654 54.6502 31.9910 174.7214 32 L 4.9007 9.5742 127.7252 53.6583 43.3068 177.1212 33 R 4.0366 8.9385 121.8973 55.9262 31.0456 175.8010 34 P 4.2579 0.0000 0.0000 66.0993 32.2582 176.6945 35 R 5.0892 7.7507 117.6748 54.5363 31.4731 177.4398 36 A 4.1685 8.9650 126.9722 51.2565 19.1938 178.0414 37 A 4.5834 8.5927 125.1898 50.7376 18.2450 175.7467 38 Y 4.3838 8.0136 118.9654 56.0777 39.6424 175.1036 39 P 4.2623 0.0000 0.0000 66.0705 31.4267 177.4509 40 D 4.4979 8.2412 113.0060 53.3223 39.1251 177.1242 41 G 3.9177 8.2614 107.1316 45.9256 0.0000 174.5088 42 R 3.8237 7.9399 121.8112 57.1606 30.5163 176.2256 43 E 4.7267 8.5506 122.0825 55.7356 30.5454 175.2307 44 T 4.8709 8.2439 114.5489 59.4479 72.8909 173.2464 45 T 4.5739 8.9166 112.7196 61.1847 70.1428 176.0209 46 G 3.9924 8.9469 110.5819 47.3479 0.0000 175.8012 47 A 4.1306 8.0759 122.5244 55.1712 18.4631 179.3251 48 E 3.9563 8.3174 116.7082 59.6656 29.5430 179.6284 49 A 4.1846 8.1868 120.7667 55.3324 18.4541 179.0485 50 Y 4.0265 8.7025 118.3784 60.5624 38.8385 178.0345 51 A 3.9621 8.6255 122.0147 55.1797 18.5135 179.2916 52 A 3.8157 7.9734 119.1067 55.4489 18.3144 178.8015 53 Y 4.3874 8.0723 118.1115 61.0772 38.6540 178.5065 54 G 3.3357 7.7010 106.1408 47.8053 0.0000 174.9835 55 R 3.7985 8.0157 120.7015 59.3742 30.1374 177.9751 56 D 4.4767 7.9633 116.8337 56.5123 41.2283 178.2555 57 S 4.5456 8.2470 114.7375 59.7242 63.4599 176.4353 58 G 3.8517 7.9701 110.2237 47.7847 0.0000 173.8998 59 P 4.2665 0.0000 0.0000 64.6831 31.0578 179.1004 60 V 3.5604 7.6767 116.9011 65.9165 31.4327 177.6045 61 S 4.1960 8.0633 112.9614 61.6411 62.2623 175.8827 62 E 3.9099 8.3161 121.7975 59.3081 29.1668 178.7104 63 R 3.9709 7.9011 117.7515 58.6839 30.1690 177.4613 64 L 4.5957 7.4205 115.9124 54.2573 42.0798 177.2688 65 G 3.9850 7.8952 107.3949 44.8913 0.0000 174.2038 66 G 3.6839 7.6810 108.2110 43.4602 0.0000 173.3431 *68 V 3.9580 7.9626 117.7046 62.9890 31.6365 175.2223 69 V 4.2140 8.3992 120.4725 61.7618 32.6050 175.9015 70 W 5.1445 7.8106 128.3746 56.5211 33.9898 172.7645 71 Q 4.2462 7.3872 125.4933 54.6551 31.4891 173.5935 72 G 3.9929 7.8290 111.9366 44.4195 0.0000 171.6246 73 Q 4.4753 8.5258 123.3555 54.1843 29.9729 175.3887 74 F 4.3280 9.0305 128.0823 58.5966 40.0321 173.9760 75 E 4.5192 7.8412 126.2150 57.5137 32.6052 175.6172 76 L 3.7069 6.1853 122.1685 54.7553 46.2566 175.2538 *78 L 4.3612 8.6962 115.4507 53.9777 43.5891 176.9585 79 I 4.4510 8.6161 117.8413 58.5389 39.7940 175.0966 80 G 4.3784 8.4862 111.7547 42.3685 0.0000 170.2751 81 P 4.5330 0.0000 0.0000 62.1400 32.0593 177.6689 82 Q 4.1431 8.6085 120.1694 58.5713 28.8620 177.3477 83 D 4.3861 7.9574 116.2057 55.0742 39.7793 176.0645 84 E 3.8248 7.8683 121.1726 55.7581 29.7250 175.6110 85 H 4.0286 7.2345 118.0269 53.3331 31.6098 172.6382 86 W 4.9648 6.3487 119.2167 55.1782 32.5502 175.1306 87 D 4.6749 9.2671 122.2751 56.0842 41.5575 176.8445 88 H 5.1917 8.1123 114.5974 53.9048 33.0050 173.1349 89 V 5.1719 8.7200 121.6411 60.4435 34.6532 173.8086 90 F 5.3236 8.2329 121.2597 56.1259 41.7219 172.6704 91 I 4.8918 9.4118 120.0618 59.5373 39.6905 174.5095 92 A 5.1156 8.8678 128.4236 50.2381 21.7612 174.7168 93 E 4.9461 8.5609 122.9419 55.0112 32.0875 174.2291 94 Y 5.2129 8.9827 123.0312 55.6303 41.7959 174.8533 95 P 4.5415 0.0000 0.0000 64.4535 32.3247 175.8574 96 S 4.5862 7.5461 112.2453 56.1889 65.5762 175.9601 97 V 3.5941 8.3016 120.1923 66.1036 31.1351 177.9048 98 A 4.0693 8.0427 119.8536 55.0470 17.9941 179.3047 99 A 4.0005 8.1164 119.0317 55.3376 18.5537 179.3577 100 F 3.8094 7.7746 116.9087 61.1838 39.7416 177.3139 101 V 4.0450 8.2512 118.0745 65.8441 31.1831 178.5686 102 E 4.1555 8.2400 116.4313 56.9084 28.9954 178.8627 *104 I 3.5726 7.7577 121.6473 61.0272 39.0142 177.0591 105 R 4.2197 7.7043 117.2932 57.1154 30.7265 176.9681 106 D 4.4743 7.7560 119.2545 53.3506 42.4560 174.9308 107 P 4.3775 0.0000 0.0000 66.1284 31.2696 178.8913 108 V 3.6017 8.4205 118.2957 65.8441 31.3822 177.4531 109 Y 3.9770 8.1646 118.8740 60.7907 38.5681 177.9344 110 R 3.9637 8.4764 118.1326 58.9485 30.1169 178.6793 111 E 4.0845 7.7934 117.6310 59.1856 29.6880 178.4295 112 A 4.2147 7.9013 121.0601 54.7331 19.3566 179.0718 113 V 3.5637 7.4398 118.7138 61.9858 28.1405 176.9879 *115 H 4.5903 7.8232 117.5059 56.6274 31.5572 176.4942 116 R 3.6916 7.0610 119.0440 59.4492 29.4832 178.5245 117 Q 3.8915 7.8453 116.6658 58.9659 28.8872 178.5313 118 A 4.0727 7.7424 122.2048 53.8642 18.3767 179.2698 119 A 4.0117 7.7566 119.5242 53.3925 18.7317 177.6416 120 V 4.2315 7.1992 117.2330 62.0604 32.3224 175.2995 121 E 4.2376 9.2127 129.1044 58.9417 30.8177 175.4850 122 D 4.7653 7.9005 115.7139 53.8094 44.5659 174.3668 123 S 5.1684 8.5826 116.8830 57.8086 66.4484 173.8223 124 R 4.6288 8.5470 119.1656 54.2444 33.9593 174.8554 125 L 4.8871 8.3978 123.3174 53.6532 44.4868 175.1458 126 I 4.4332 8.5170 128.0233 59.4767 38.9951 175.3875 127 R 4.5946 8.5564 127.5348 54.3507 31.0180 174.6432 128 L 4.6110 8.9575 128.3308 53.8427 42.3920 175.3432 *130 P 4.2960 0.0000 0.0000 63.2643 32.2518 175.5267 131 L 4.7563 8.0095 121.1535 52.2291 44.5240 176.5073 132 K 3.9761 8.4945 121.1012 55.9857 32.6109 176.3423 133 P 4.5804 0.0000 0.0000 62.3086 29.3682 176.5267 134 G 3.7031 7.4318 111.3198 46.6888 0.0000 171.0604 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 T 8.16 4.20 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 3 G 7.98 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 0.00 0.00 0.00 4 H 10.13 4.73 0.00 3.44 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.54 4.18 1.85 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 1.54 0.59 0.87 0.00 0.00 6 D 7.68 5.06 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 7 P 0.00 4.53 0.00 2.26 2.10 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 8 T 8.16 4.33 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 1.24 0.00 0.00 9 K 8.58 3.96 0.00 1.86 1.96 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.56 7.81 10 E 8.12 3.99 0.00 2.04 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 2.43 2.39 0.00 11 V 7.65 3.96 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 1.23 0.00 0.00 0.96 0.00 0.00 12 F 8.59 4.12 0.00 3.26 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 13 A 8.15 4.05 1.47 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 0.00 0.00 14 Q 7.97 3.95 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 15 F 7.89 3.95 0.00 2.77 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 16 R 7.65 3.87 0.00 1.93 1.94 0.00 3.31 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 0.00 17 A 8.11 4.21 1.33 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 18 N 7.47 4.56 0.00 2.56 2.55 0.00 0.00 7.12 9.28 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 19 D 7.81 4.82 0.00 2.71 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 20 R 7.25 3.94 0.00 2.00 1.91 0.00 3.32 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 21 E 8.56 3.90 0.00 1.93 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 0.00 2.28 2.30 0.00 22 G 8.72 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 23 P 0.00 4.62 0.00 2.03 2.05 0.00 3.60 0.00 0.00 3.71 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 24 I 8.41 4.68 1.88 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 1.35 1.18 0.81 0.00 0.00 25 H 8.77 5.89 0.00 3.07 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.24 4.41 0.00 1.76 1.53 1.01 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.98 5.02 0.00 1.44 2.08 0.00 0.00 6.41 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 29 L 8.29 4.46 0.00 0.27 0.13 0.46 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.76 4.64 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 0.72 0.00 0.00 1.00 0.00 0.00 31 R 9.30 5.00 0.00 1.82 1.91 0.00 2.60 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 0.00 32 L 9.57 4.90 0.00 1.56 1.55 0.83 -0.13 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 33 R 8.94 4.04 0.00 1.78 1.98 0.00 3.28 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 34 P 0.00 4.26 0.00 2.07 2.10 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 35 R 7.75 5.09 0.00 1.57 1.69 0.00 3.27 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 36 A 8.96 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.59 4.58 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 38 Y 8.01 4.38 0.00 3.12 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 39 P 0.00 4.26 0.00 2.07 2.15 0.00 3.86 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 2.08 2.11 0.00 40 D 8.24 4.50 0.00 2.77 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 41 G 8.26 3.92 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 0.00 0.00 0.00 42 R 7.94 3.82 0.00 1.73 1.94 0.00 2.93 0.00 0.00 2.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 43 E 8.55 4.73 0.00 1.79 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 1.86 0.00 44 T 8.24 4.87 4.48 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 1.22 0.00 0.00 45 T 8.92 4.57 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 1.24 0.00 0.00 46 G 8.95 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 0.00 0.00 0.00 47 A 8.08 4.13 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 48 E 8.32 3.96 0.00 2.26 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 0.00 2.37 2.38 0.00 49 A 8.19 4.18 1.47 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 0.00 0.00 50 Y 8.70 4.03 0.00 3.17 3.12 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 51 A 8.63 3.96 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 3.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.07 4.39 0.00 2.88 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 54 G 7.70 3.34 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 55 R 8.02 3.80 0.00 1.69 2.16 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 56 D 7.96 4.48 0.00 2.73 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 57 S 8.25 4.55 0.00 4.12 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 58 G 7.97 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 0.00 0.00 0.00 59 P 0.00 4.27 0.00 2.16 2.10 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 2.09 2.11 0.00 60 V 7.68 3.56 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 1.05 0.00 0.00 0.99 0.00 0.00 61 S 8.06 4.20 0.00 4.01 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 62 E 8.32 3.91 0.00 2.18 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 0.00 2.29 2.29 0.00 63 R 7.90 3.97 0.00 2.11 2.10 0.00 3.31 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 64 L 7.42 4.60 0.00 1.71 1.74 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.90 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 0.00 0.00 0.00 66 G 7.68 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 V 7.96 3.96 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 0.85 0.00 0.00 0.81 0.00 0.00 69 V 8.40 4.21 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 0.71 0.00 0.00 0.96 0.00 0.00 70 W 7.81 5.14 0.00 3.38 3.01 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 0.00 0.00 0.00 71 Q 7.39 4.25 0.00 1.90 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.54 0.00 0.00 0.00 0.00 0.00 2.04 2.38 0.00 72 G 7.83 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 0.00 0.00 0.00 73 Q 8.53 4.48 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 74 F 9.03 4.33 0.00 3.20 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 75 E 7.84 4.52 0.00 1.81 1.83 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 2.17 2.41 0.00 76 L 6.19 3.71 0.00 1.37 1.09 0.89 0.89 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 *78 L 8.70 4.36 0.00 1.64 1.73 0.92 0.88 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 79 I 8.62 4.45 1.90 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 1.36 0.81 0.93 0.00 0.00 80 G 8.49 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.37 2.19 0.00 3.75 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 2.07 2.00 0.00 82 Q 8.61 4.14 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.12 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 7.96 4.39 0.00 2.71 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 84 E 7.87 3.82 0.00 2.10 1.77 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 2.01 2.11 0.00 85 H 7.23 4.03 0.00 2.39 2.92 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 6.35 4.96 0.00 3.12 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 87 D 9.27 4.67 0.00 2.45 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 88 H 8.11 5.19 0.00 3.06 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.72 5.17 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 1.57 0.00 0.00 1.13 0.00 0.00 90 F 8.23 5.32 0.00 3.27 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 91 I 9.41 4.89 2.11 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.27 0.90 0.00 0.00 92 A 8.87 5.12 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 93 E 8.56 4.95 0.00 2.06 1.77 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 2.33 2.44 0.00 94 Y 8.98 5.21 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.54 0.00 2.23 2.22 0.00 4.02 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 96 S 7.55 4.59 0.00 3.99 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 97 V 8.30 3.59 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 0.71 0.00 0.00 0.60 0.00 0.00 98 A 8.04 4.07 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 99 A 8.12 4.00 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 0.00 100 F 7.77 3.81 0.00 2.84 3.34 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 0.00 101 V 8.25 4.04 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 1.15 0.00 0.00 1.27 0.00 0.00 102 E 8.24 4.16 0.00 2.19 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 2.56 2.52 0.00 *104 I 7.76 3.57 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.68 0.00 0.00 105 R 7.70 4.22 0.00 1.93 1.98 0.00 3.21 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 106 D 7.76 4.47 0.00 2.87 2.60 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 0.00 0.00 0.00 0.00 107 P 0.00 4.38 0.00 2.31 2.31 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 108 V 8.42 3.60 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 1.00 0.00 0.00 0.95 0.00 0.00 109 Y 8.16 3.98 0.00 3.11 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 0.00 110 R 8.48 3.96 0.00 1.92 1.99 0.00 3.23 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 111 E 7.79 4.08 0.00 2.05 1.99 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 2.34 2.46 0.00 112 A 7.90 4.21 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 0.00 113 V 7.44 3.56 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 0.71 0.00 0.00 0.71 0.00 0.00 *115 H 7.82 4.59 0.00 3.43 3.72 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.06 3.69 0.00 0.67 1.44 0.00 3.14 0.00 0.00 2.72 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.99 0.00 117 Q 7.85 3.89 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 118 A 7.74 4.07 0.33 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 0.00 119 A 7.76 4.01 1.62 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 0.00 0.00 120 V 7.20 4.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.04 0.00 0.00 121 E 9.21 4.24 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 122 D 7.90 4.77 0.00 2.81 2.49 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 0.00 123 S 8.58 5.17 0.00 3.90 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 0.00 124 R 8.55 4.63 0.00 1.31 1.64 0.00 3.17 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 125 L 8.40 4.89 0.00 1.56 1.50 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.52 4.43 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.65 0.88 0.00 0.00 127 R 8.56 4.59 0.00 1.89 1.85 0.00 3.02 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 128 L 8.96 4.61 0.00 1.70 1.09 1.00 0.76 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 *130 P 0.00 4.30 0.00 1.95 1.83 0.00 3.52 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 1.71 1.41 0.00 131 L 8.01 4.76 0.00 1.56 1.52 0.89 0.89 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 0.00 132 K 8.49 3.98 0.00 1.73 1.76 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 133 P 0.00 4.58 0.00 2.15 2.08 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 134 G 7.43 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.