NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7183 8.2833 119.1962 53.6441 41.1978 176.4871 4 D 4.1440 7.8203 118.1705 56.9590 40.6631 176.8456 5 Y 4.4760 7.6785 117.0489 61.0308 38.3155 177.8776 6 L 4.0416 7.9960 120.8455 58.2787 42.1179 178.5472 7 N 4.3494 8.3154 115.6856 56.1172 38.8486 176.8016 8 F 4.3497 8.6803 122.3955 61.4630 39.5439 177.0407 9 L 3.7403 8.3026 118.6370 58.0558 41.2687 179.4364 10 D 4.5603 8.1909 117.3478 56.7044 40.8053 178.3992 11 G 3.7812 7.5009 104.6172 45.0041 0.0000 173.6985 12 R 3.9754 7.0760 121.9800 56.2280 30.2661 175.9062 13 V 4.5715 7.8414 117.2340 59.3868 35.8537 175.0643 14 S 4.4157 8.5428 118.1006 58.5244 63.1510 174.0751 15 V 4.2241 8.3294 125.2217 61.1425 32.9625 175.3290 16 R 4.1734 8.2657 123.5494 55.5503 31.7311 175.4122 17 R 4.3941 7.2798 117.7557 54.5470 32.0915 174.6887 18 F 5.5150 8.5238 122.1244 55.4732 42.4235 175.3190 19 D 4.7722 9.0332 121.8658 52.9516 41.1784 175.5100 20 P 4.8076 0.0000 0.0000 64.5735 31.5683 176.7933 21 D 4.6123 8.3839 117.4498 54.5220 41.4238 176.7170 22 A 4.2437 7.8311 122.8679 51.8342 19.0194 176.9339 23 V 4.3586 8.2468 120.2292 60.8211 33.9055 175.2571 24 L 4.5717 8.4062 127.2162 51.1479 42.7180 174.7058 25 P 4.4491 0.0000 0.0000 62.4924 33.3883 176.7348 26 N 4.2854 8.6983 117.3505 56.4330 38.4550 177.2957 27 D 4.3169 8.0136 120.1464 56.6675 39.2110 178.6745 28 L 3.7293 7.6698 118.8620 57.0869 41.6952 178.9865 29 I 3.8625 7.2832 119.1624 64.2813 37.2455 178.2759 30 K 4.1951 8.2042 119.4024 59.4216 31.8020 179.8962 31 D 4.5828 7.7643 116.3239 55.1373 40.7981 178.3713 *33 L 4.2473 7.9095 121.9830 54.8928 43.8265 178.9332 34 E 3.8178 8.4528 118.2860 59.6922 29.9097 178.3898 35 H 3.5250 8.1842 116.0353 58.4427 28.7153 177.6113 36 A 3.6368 7.7072 122.3960 54.8834 17.8949 179.3546 37 S 4.3678 7.7573 111.1311 60.8335 63.1551 175.4190 38 Y 4.7204 7.4300 118.7088 58.1707 37.8939 175.7272 39 A 4.2297 7.2207 123.8929 51.4346 19.1057 175.8794 40 P 4.8517 0.0000 0.0000 62.8170 32.6927 175.7479 41 S 4.9437 8.4373 112.1022 56.7099 65.8092 173.9155 42 G 3.9579 9.2170 111.6061 47.4886 0.0000 173.4592 43 N 4.2937 9.6099 120.1657 53.5379 36.2922 173.3948 44 N 4.3791 8.4459 113.5873 54.6781 37.9665 175.6617 45 F 4.5689 8.6263 116.8412 58.4539 40.1310 175.7796 46 Q 2.0000 7.9636 119.6278 55.8005 26.1710 172.4736 47 P 4.0877 0.0000 0.0000 62.8560 32.8707 177.9116 48 W 4.5629 6.3307 117.4701 56.8600 28.8467 175.9487 49 R 4.4633 8.7092 120.6787 54.3632 33.8120 174.3068 50 V 5.0924 8.3370 121.5046 61.1510 34.9607 174.5311 51 V 4.4991 9.0906 126.7185 61.1302 34.3767 174.0594 52 V 4.3931 8.4235 127.9007 61.2325 32.9221 174.7859 53 V 4.0486 8.7489 129.6549 61.6099 32.7024 174.6832 54 K 4.5350 8.1116 129.4066 53.0317 32.1974 172.9615 55 N 4.3000 8.9652 115.3375 51.0314 42.3738 175.2350 56 K 4.0217 8.5556 126.9571 59.4851 32.2447 178.9433 57 N 4.3317 8.2063 116.2857 56.4662 38.5572 177.4565 58 K 4.3337 8.5397 121.1786 59.0903 32.0288 179.5319 59 Q 4.0198 8.2705 118.4733 58.8573 28.4581 178.4927 60 E 3.9623 8.4625 119.9313 59.4225 29.2281 179.1287 61 D 4.2156 7.6657 117.8715 57.3489 41.2050 178.5764 62 L 3.9158 7.8372 119.4895 57.3786 41.5506 179.3990 63 K 3.9214 8.2479 120.1993 59.4542 31.8691 179.0277 64 K 4.0394 7.6021 117.9884 58.6576 32.2043 178.2422 65 L 4.4748 7.4761 116.9426 54.1103 42.0350 176.5911 66 A 4.6177 7.6313 122.5620 51.9680 19.3600 176.7091 67 A 3.7645 8.7207 118.0363 54.2544 16.2706 178.0831 68 L 3.7344 8.1645 114.8350 57.1826 39.5534 174.9356 69 Q 4.1249 8.0376 118.5864 55.1361 29.1901 175.9579 70 P 4.3432 0.0000 0.0000 65.7520 31.4804 178.4622 71 Q 4.4698 8.1143 118.2252 58.4456 28.1137 178.7246 72 V 3.6383 7.5515 119.3801 65.6863 31.6243 177.2252 73 A 4.3053 7.8471 119.2298 54.1973 18.9513 178.9133 74 T 4.1853 7.9488 107.0959 62.6379 69.4619 175.0381 75 A 3.8274 7.1437 123.8318 52.1089 18.9398 177.6468 76 S 4.4083 8.1617 116.5662 61.4708 63.5248 174.7549 77 A 4.6556 7.6633 118.7314 50.7102 22.7407 175.3575 78 V 4.5229 8.7555 121.0854 61.2389 33.7683 174.5871 79 F 4.8193 9.2381 128.2124 56.4534 40.0606 175.4428 80 L 4.5784 9.1179 125.3840 53.2776 43.4890 175.5198 81 L 5.0520 8.7106 125.2500 53.1000 43.7140 175.9556 82 F 5.1967 9.3826 122.4441 55.5105 43.3317 174.2024 83 G 4.1771 9.0538 107.8775 44.4865 0.0000 171.8873 84 D 5.0869 8.1985 124.0095 52.2846 42.2430 176.7088 85 E 3.9524 8.5995 127.1985 59.8003 29.6563 179.1504 86 N 4.4737 8.4626 113.7817 54.6732 38.7111 176.1455 87 A 3.5737 7.5562 121.5795 54.6223 18.9503 177.6826 88 Y 3.4632 6.8288 115.1126 57.2009 37.0851 176.3874 89 D 4.9439 7.6680 119.6326 52.7739 43.6303 175.5504 90 L 4.6143 8.7689 127.6300 57.6893 41.7977 179.5292 91 T 3.9952 8.4554 116.3387 66.4897 68.4907 176.1779 92 W 4.2499 8.8379 129.7779 60.3859 30.6804 177.4920 93 W 3.5274 8.7353 128.1905 60.4317 29.8822 178.0410 94 Q 3.9763 8.6768 120.3944 59.5740 28.1465 179.0151 95 E 3.9090 8.1779 119.3307 61.0828 29.7131 180.7717 96 F 3.9084 7.8901 122.0911 61.3425 39.2682 177.0493 97 H 3.6969 7.3343 115.6657 58.2757 28.3230 178.1212 98 V 3.9059 7.7860 124.2909 66.1612 31.2032 178.8638 99 Q 3.9717 7.8933 119.4231 59.6301 27.9481 179.4507 100 K 4.3172 7.3323 116.5912 55.8048 32.1500 177.4479 101 G 3.8321 7.4701 107.0797 46.3678 0.0000 175.3951 102 I 3.8249 7.7667 122.7556 63.4591 37.3078 176.3415 103 I 4.5911 6.9719 111.3436 58.3357 40.3555 174.1287 104 T 4.4480 10.0538 116.2537 61.4251 70.8904 176.6674 105 K 3.9528 8.3669 125.2710 60.0241 31.7145 177.6991 106 D 4.5754 8.0789 120.0145 57.2545 40.7552 178.5689 107 E 3.9512 8.1178 118.5765 59.6065 29.4396 179.4498 108 A 4.2540 8.3864 120.6502 55.0750 18.3188 179.5427 109 A 4.2270 8.6065 120.5705 54.7220 18.3563 179.7464 110 A 3.9984 8.2034 121.7575 56.0691 18.4499 180.7172 111 R 3.8561 8.3050 119.0654 61.5055 29.3671 180.6647 112 A 3.8925 8.3600 121.8171 54.9257 18.2973 179.4174 113 E 3.8856 8.0585 117.6364 59.3813 29.7024 179.2353 114 R 3.8860 7.7129 118.3405 59.2884 30.0285 179.1271 115 I 3.4530 7.7670 119.7020 64.1867 36.9629 178.6165 116 R 4.0385 8.2356 119.2634 59.6093 29.8164 179.2089 117 Q 3.9980 8.3370 117.8326 58.8021 28.5621 178.2561 118 Y 3.8725 7.9766 120.6822 60.8700 38.5004 178.2518 119 F 4.6577 8.3824 118.6859 60.5391 38.6821 177.3874 120 D 4.3792 8.1913 118.3300 57.2299 40.6787 178.2296 121 L 4.1738 7.4084 117.8921 55.7231 43.4492 176.8765 122 H 4.8562 7.7410 115.4644 53.2506 29.1554 172.4347 123 P 4.4468 0.0000 0.0000 64.7402 32.2250 179.3917 124 E 4.1896 8.1135 116.3332 58.5435 29.2397 178.2793 125 D 4.5386 8.3197 118.7640 55.5513 41.1394 177.4159 126 K 2.9643 7.3491 117.1271 55.6775 32.7273 175.9223 127 E 4.9041 7.4980 120.7842 55.5934 32.0947 176.4170 128 T 4.0433 8.6144 114.8259 67.8801 68.2951 176.2227 129 Q 4.1141 8.0910 119.6057 58.8953 28.7790 178.9184 130 G 3.7030 7.8923 107.5476 47.3040 0.0000 175.6210 131 L 4.1270 8.1486 121.6251 57.5510 41.6137 179.7485 132 R 3.9642 8.4300 118.4873 59.1136 29.9873 178.9474 133 L 3.9764 7.8160 119.8869 58.3103 42.3225 178.7633 134 D 4.5596 8.3960 118.9341 57.6443 40.8169 179.0212 135 V 4.0978 8.5805 119.0413 65.4817 31.2616 178.3518 136 G 3.6455 8.0183 105.3164 47.6197 0.0000 175.3901 137 L 4.1799 7.9736 120.5088 57.5207 41.9637 178.9229 138 F 3.8297 8.1198 119.9531 61.0502 38.8942 177.8688 139 A 4.0852 7.9201 116.5351 52.6796 18.1754 177.6848 *141 N 4.5746 8.1181 121.0944 55.0853 40.7119 177.4007 142 L 3.8868 7.4431 119.8145 55.0127 41.5871 178.6956 *144 Q 4.1555 8.2596 117.4565 55.4794 30.9472 177.9408 145 V 3.6570 8.0113 117.2314 66.1253 31.3306 178.5165 146 V 3.8684 8.0296 112.2033 64.4588 31.2008 178.6380 147 R 4.7714 7.9561 119.0739 58.2058 29.6451 179.0237 148 V 3.4525 7.6364 118.2751 65.7872 31.4973 176.1845 149 Y 4.4208 7.9681 114.1750 58.0934 38.0694 176.0426 150 G 3.8649 8.1370 108.9734 45.1198 0.0000 173.0089 151 Y 4.7933 7.8307 117.6609 56.8150 40.8948 173.8423 152 D 5.0930 9.4226 120.1916 53.4191 46.3315 174.3447 153 S 5.8933 8.6664 112.7054 57.9760 66.8093 173.3688 154 V 4.8645 8.2408 119.2148 59.4857 33.7109 173.7443 155 P 4.5713 0.0000 0.0000 62.2396 32.5682 176.3593 *157 R 4.4291 8.5711 117.1195 55.9353 32.2673 176.8431 158 G 3.9021 7.7727 108.5768 44.2543 0.0000 172.3966 159 V 4.3008 6.6049 110.8928 59.1392 36.5626 176.7168 160 D 4.6012 8.6605 121.7988 53.1238 39.2615 176.5239 161 F 4.4398 8.2216 123.8371 59.9713 39.3213 176.3836 162 D 4.4534 8.3963 118.0940 57.5349 40.6343 178.6108 163 A 4.1178 8.4222 121.1511 55.0621 18.2487 179.8042 164 I 3.8075 7.8517 118.5350 64.4437 37.1853 178.7109 165 K 4.1043 8.4775 119.4289 59.9901 31.7321 179.4926 166 T 3.8868 7.6357 114.0612 66.7908 68.4685 175.7067 167 Y 4.2688 8.5113 121.8253 60.1731 38.6665 177.1962 168 L 4.4596 8.1414 116.6566 52.4056 42.2764 173.4224 169 D 3.9444 7.5788 123.4884 53.4196 41.6736 171.0281 *171 P 3.9180 0.0000 0.0000 62.3013 32.3434 176.7379 172 N 4.7628 8.5574 118.0959 53.3377 37.4287 176.0465 173 G 3.8279 7.8753 106.7569 47.9028 0.0000 173.3152 174 W 5.1967 7.8635 120.9841 55.5050 30.2987 175.7501 175 E 4.6612 9.5033 126.1511 54.4593 30.5866 174.1340 176 P 4.1815 0.0000 0.0000 63.0911 31.5225 175.5914 177 I 4.0466 8.2556 124.6242 62.4744 38.7611 174.7999 178 L 4.1133 6.9998 125.6737 54.2271 46.3481 175.2950 *180 L 4.4448 8.5975 112.8932 54.2875 43.0582 174.2124 181 P 4.8476 0.0000 0.0000 62.1307 33.0380 175.0212 182 V 4.6587 8.4220 123.6919 61.3789 34.8932 174.8876 183 G 4.0653 8.1920 112.7789 45.7707 0.0000 171.1638 184 K 4.7826 8.5477 121.3332 55.2870 33.3594 176.5319 185 A 4.5822 8.8123 130.0849 52.4824 18.3105 177.0494 186 L 4.3666 8.9490 122.8481 55.9089 42.8681 177.2692 187 Q 4.3538 7.7675 118.4037 53.6383 32.0036 174.1974 188 A 4.0553 8.5938 127.8873 52.0375 18.9950 177.2060 189 G 3.7942 8.2100 109.4431 45.1222 0.0000 173.0624 190 N 4.6700 8.1511 116.5516 51.2739 39.6274 173.8611 191 P 4.2559 0.0000 0.0000 62.9952 31.9683 176.2936 192 H 4.3143 8.4838 118.7767 55.8091 29.1832 175.1479 193 V 4.3943 8.3264 123.2507 61.1164 33.3741 174.6870 194 R 4.7642 8.2447 124.5716 53.9866 34.2315 175.0971 195 K 4.2575 8.4883 119.4398 56.4390 32.8626 177.5495 196 S 4.4557 9.5056 117.4240 57.7658 64.0899 175.4129 197 V 2.4940 8.4410 120.8194 65.8206 31.2014 178.1376 198 A 3.9809 7.1399 119.9195 54.4266 18.3662 178.2031 199 E 4.2553 7.8831 115.2348 57.7765 29.8603 177.3179 200 F 4.8959 7.8496 110.2399 56.1368 39.3743 174.9321 201 A 4.7428 7.6115 123.7812 50.1307 21.6618 174.8023 202 E 4.6057 8.6297 120.7730 54.1815 32.2367 175.1490 203 I 4.4063 8.3122 126.2013 59.4987 39.1435 174.7985 204 I 4.4349 8.3366 126.1189 59.5152 38.9557 175.5165 205 E 4.2798 8.7189 123.8204 56.4710 29.8148 175.8246 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 N 8.28 4.72 0.00 2.72 2.84 0.00 0.00 7.09 7.61 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 4 D 7.82 4.14 0.00 2.45 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.48 0.00 3.02 2.96 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 6 L 8.00 4.04 0.00 1.82 1.83 0.97 0.71 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 7 N 8.32 4.35 0.00 2.99 2.91 0.00 0.00 7.02 8.27 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 8 F 8.68 4.35 0.00 3.24 3.41 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 9 L 8.30 3.74 0.00 1.88 1.68 0.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.19 4.56 0.00 2.87 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 11 G 7.50 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.08 3.98 0.00 1.77 1.77 0.00 3.17 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 13 V 7.84 4.57 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 0.63 0.00 0.00 0.92 0.00 0.00 14 S 8.54 4.42 0.00 3.83 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 15 V 8.33 4.22 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 0.38 0.00 0.00 0.90 0.00 0.00 16 R 8.27 4.17 0.00 1.67 1.80 0.00 3.15 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 17 R 7.28 4.39 0.00 1.68 1.76 0.00 3.20 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 18 F 8.52 5.52 0.00 2.94 2.85 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 19 D 9.03 4.77 0.00 2.80 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 20 P 0.00 4.81 0.00 2.25 2.21 0.00 3.46 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 21 D 8.38 4.61 0.00 2.82 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 22 A 7.83 4.24 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 23 V 8.25 4.36 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 0.86 0.00 0.00 1.01 0.00 0.00 24 L 8.41 4.57 0.00 1.27 1.40 0.23 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.45 0.00 2.49 2.17 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 26 N 8.70 4.29 0.00 2.80 2.88 0.00 0.00 6.71 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 27 D 8.01 4.32 0.00 2.85 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 28 L 7.67 3.73 0.00 1.57 1.31 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.28 3.86 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.53 0.82 0.00 0.00 30 K 8.20 4.20 0.00 1.92 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 31 D 7.76 4.58 0.00 2.67 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 *33 L 7.91 4.25 0.00 1.93 1.89 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.45 3.82 0.00 1.98 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 2.00 2.30 0.00 35 H 8.18 3.53 0.00 3.14 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.71 3.64 0.41 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 0.00 0.00 37 S 7.76 4.37 0.00 4.48 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 38 Y 7.43 4.72 0.00 3.12 2.96 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 39 A 7.22 4.23 1.17 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 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0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 115 I 7.77 3.45 1.68 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.37 0.60 0.00 0.00 116 R 8.24 4.04 0.00 2.05 2.03 0.00 3.34 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 117 Q 8.34 4.00 0.00 2.09 2.15 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 2.38 2.51 0.00 118 Y 7.98 3.87 0.00 3.00 2.85 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 0.00 119 F 8.38 4.66 0.00 3.11 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 0.00 120 D 8.19 4.38 0.00 2.84 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 0.00 121 L 7.41 4.17 0.00 1.35 1.24 0.84 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.74 4.86 0.00 2.65 3.13 0.00 5.82 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 0.00 123 P 0.00 4.45 0.00 2.31 2.25 0.00 3.84 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 2.02 1.86 0.00 124 E 8.11 4.19 0.00 2.27 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 0.00 2.38 2.26 0.00 125 D 8.32 4.54 0.00 3.25 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.35 2.96 0.00 0.86 0.74 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.76 0.94 7.81 127 E 7.50 4.90 0.00 2.07 1.82 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 2.12 2.23 0.00 128 T 8.61 4.04 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 1.24 0.00 0.00 129 Q 8.09 4.11 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 130 G 7.89 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 0.00 131 L 8.15 4.13 0.00 1.91 1.75 0.92 0.65 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 0.00 132 R 8.43 3.96 0.00 1.97 2.01 0.00 3.29 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 133 L 7.82 3.98 0.00 1.77 1.91 0.98 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.40 4.56 0.00 2.90 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 0.00 135 V 8.58 4.10 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 1.12 0.00 0.00 1.12 0.00 0.00 136 G 8.02 3.65 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 0.00 137 L 7.97 4.18 0.00 1.98 1.84 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.12 3.83 0.00 2.16 2.98 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 0.00 139 A 7.92 4.09 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 *141 N 8.12 4.57 0.00 2.80 2.59 0.00 0.00 6.71 6.66 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 0.00 142 L 7.44 3.89 0.00 1.05 1.39 0.55 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 *144 Q 8.26 4.16 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 145 V 8.01 3.66 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 1.15 0.00 0.00 0.90 0.00 0.00 146 V 8.03 3.87 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.93 0.00 0.00 147 R 7.96 4.77 0.00 2.05 2.05 0.00 3.07 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.50 0.00 148 V 7.64 3.45 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 0.16 0.00 0.00 0.78 0.00 0.00 149 Y 7.97 4.42 0.00 3.48 3.25 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 0.00 150 G 8.14 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 0.00 151 Y 7.83 4.79 0.00 3.15 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 0.00 152 D 9.42 5.09 0.00 2.75 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 0.00 153 S 8.67 5.89 0.00 3.94 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 0.00 154 V 8.24 4.86 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 0.93 0.00 0.00 0.95 0.00 0.00 155 P 0.00 4.57 0.00 2.12 2.13 0.00 3.81 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 1.99 1.99 0.00 *157 R 8.57 4.43 0.00 1.94 2.25 0.00 3.41 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 158 G 7.77 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 0.00 0.00 0.00 159 V 6.60 4.30 1.87 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 0.50 0.00 0.00 -0.27 0.00 0.00 160 D 8.66 4.60 0.00 2.60 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 0.00 161 F 8.22 4.44 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.40 4.45 0.00 2.91 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 0.00 163 A 8.42 4.12 1.46 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 0.00 0.00 0.00 164 I 7.85 3.81 2.22 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 1.15 0.00 0.00 165 K 8.48 4.10 0.00 2.06 1.93 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.77 1.96 7.81 166 T 7.64 3.89 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 1.25 0.00 0.00 167 Y 8.51 4.27 0.00 3.13 3.23 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 0.00 168 L 8.14 4.46 0.00 1.75 1.72 1.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 169 D 7.58 3.94 0.00 2.65 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 *171 P 0.00 3.92 0.00 1.64 1.57 0.00 2.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 172 N 8.56 4.76 0.00 2.81 2.91 0.00 0.00 6.08 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 0.00 173 G 7.88 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 0.00 0.00 0.00 174 W 7.86 5.20 0.00 3.09 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 9.50 4.66 0.00 1.89 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 2.35 2.28 0.00 176 P 0.00 4.18 0.00 0.54 1.62 0.00 3.44 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 1.83 2.21 0.00 177 I 8.26 4.05 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.86 0.89 0.00 0.00 178 L 7.00 4.11 0.00 1.71 1.39 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 *180 L 8.60 4.44 0.00 1.88 1.77 0.91 0.68 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 0.00 181 P 0.00 4.85 0.00 2.33 2.02 0.00 3.94 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 2.24 2.16 0.00 182 V 8.42 4.66 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 0.89 0.00 0.00 0.67 0.00 0.00 183 G 8.19 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.55 4.78 0.00 1.88 1.78 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.49 1.54 7.81 185 A 8.81 4.58 1.29 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 0.00 0.00 186 L 8.95 4.37 0.00 1.51 1.73 0.98 0.72 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 0.00 187 Q 7.77 4.35 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 188 A 8.59 4.06 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 8.21 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 0.00 0.00 0.00 190 N 8.15 4.67 0.00 2.68 2.72 0.00 0.00 6.90 8.02 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 0.00 191 P 0.00 4.26 0.00 2.01 1.97 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 192 H 8.48 4.31 0.00 3.15 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.33 4.39 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 0.85 0.00 0.00 0.93 0.00 0.00 194 R 8.24 4.76 0.00 1.81 1.77 0.00 3.38 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 195 K 8.49 4.26 0.00 1.87 1.90 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.46 7.81 196 S 9.51 4.46 0.00 3.94 4.01 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 0.00 197 V 8.44 2.49 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 0.66 0.00 0.00 0.86 0.00 0.00 198 A 7.14 3.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 7.88 4.26 0.00 2.23 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 0.00 2.34 2.26 0.00 200 F 7.85 4.90 0.00 3.03 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 0.00 201 A 7.61 4.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.63 4.61 0.00 1.88 1.79 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 2.16 2.27 0.00 203 I 8.31 4.41 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 1.39 0.72 0.90 0.00 0.00 204 I 8.34 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.91 0.00 0.00 205 E 8.72 4.28 0.00 1.91 1.80 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 2.19 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.