NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8974 8.4545 109.7405 45.2942 0.0000 175.0910 4 K 4.1366 7.8408 121.0415 51.7901 32.3830 176.9060 5 I 4.2522 8.1129 115.8541 60.8979 39.2738 174.6238 6 S 4.9850 7.6950 113.2941 58.3062 65.3337 173.7551 7 A 4.3099 8.7558 122.7355 52.9495 18.8219 178.1585 8 L 4.1390 7.4452 115.5153 54.8075 42.2482 177.2995 9 D 4.5990 8.3482 124.4467 53.2895 39.7549 174.9392 10 L 4.3985 7.6374 121.2984 51.9711 42.7000 177.1250 11 A 4.4076 8.3558 128.6169 51.8906 19.5449 177.2373 12 S 4.6333 8.0326 112.6867 57.5171 65.9883 175.6915 13 G 4.1932 8.3389 112.5602 44.0459 0.0000 173.3283 14 E 4.1894 8.4819 118.4515 55.8973 30.1221 176.9765 15 L 4.1443 8.2427 121.9431 54.4779 42.5871 178.1435 16 S 4.3421 8.3004 117.1146 58.2375 65.1274 175.3063 17 E 3.9639 8.6508 122.4327 59.1506 29.2267 177.7804 18 P 4.2491 0.0000 0.0000 65.9579 31.2946 178.7506 19 T 3.6729 7.4702 114.3391 66.1295 68.3080 176.9092 20 K 3.8505 7.9856 120.2729 59.5251 32.1400 178.9999 21 A 3.9916 7.8870 120.6023 55.4151 18.3687 178.9564 22 Y 4.0731 8.0953 117.9256 61.0775 38.7853 178.4663 23 F 4.4018 8.7175 118.7867 60.4290 38.9261 177.3081 24 A 4.0216 8.5368 120.9947 55.3853 18.1338 179.9244 25 K 3.9322 8.1233 116.7558 59.4584 32.0478 179.1046 26 C 3.8299 7.7857 117.1197 63.0170 28.1314 175.9323 27 E 3.9322 8.3388 120.5991 59.3360 29.0068 178.6144 28 E 3.9588 8.2475 117.8126 60.0765 29.6442 178.4250 29 K 4.0827 8.5588 119.5547 58.6667 32.0329 177.9499 30 L 4.1914 8.5725 121.2585 55.4608 41.9213 178.9455 31 G 4.0669 9.1156 106.7251 45.2582 0.0000 173.0177 32 L 4.3999 7.0839 117.3426 54.4192 43.2387 175.0074 33 V 3.9021 7.8639 120.0072 60.3454 32.1420 173.9933 34 P 4.4757 0.0000 0.0000 63.1397 31.8962 177.2801 35 N 4.3926 9.6346 121.2628 56.3452 38.2635 177.9762 36 V 3.4113 8.1484 120.7646 64.7153 31.0993 178.4868 37 L 4.1091 7.6272 118.4455 57.5905 41.5693 179.3648 38 K 4.2763 8.0077 117.7057 59.2689 31.7637 179.0086 39 A 3.9776 7.6788 120.5404 54.9713 18.4588 178.3540 40 Y 4.1317 7.7143 112.6930 58.2350 38.0932 176.8670 41 A 4.3112 7.6929 121.7911 53.1263 18.8615 178.4483 42 F 4.2863 7.9678 111.7671 58.4418 38.5796 175.6526 43 D 4.3453 7.2239 121.3385 51.9311 43.2972 174.9164 44 D 4.3593 8.6602 128.2801 56.6310 40.9181 178.7946 45 K 3.8634 7.8791 120.7068 59.3538 32.2639 179.0121 46 K 3.9400 7.7852 118.2259 59.2618 32.0328 178.7096 47 L 3.9000 7.7860 120.5579 58.5146 41.9631 179.2167 48 R 3.7908 7.8883 117.4707 59.1039 29.9468 178.9217 49 A 3.9050 7.7354 119.9790 55.0488 18.3616 179.2707 50 F 3.8931 8.5605 119.6333 61.7858 39.3498 177.5121 51 T 3.7564 8.2799 109.6394 64.6219 68.5395 175.9476 52 D 4.3094 7.9699 121.7594 57.4877 40.9362 179.0688 53 I 3.5933 7.5475 119.8888 64.3684 36.8618 177.9726 54 Y 3.3049 7.4611 119.3820 60.4257 38.6421 177.6219 55 N 4.4035 8.0488 116.2106 56.3231 39.1536 176.3646 56 D 4.4456 7.8504 119.4310 57.3915 41.0856 177.8581 57 L 3.9061 7.1306 116.7443 56.8360 41.9546 177.2259 *59 L 4.1849 7.7984 116.6249 54.9610 43.5068 176.9600 60 G 3.8527 7.5105 107.1260 44.1150 0.0000 172.8266 61 E 4.0107 8.3894 119.8869 56.4893 30.0540 175.5974 62 S 4.5510 7.9376 117.0039 57.6058 64.9744 175.6661 63 G 3.8707 8.5960 112.1528 46.6154 0.0000 174.0154 64 L 4.4923 7.6120 120.9430 53.8875 42.5146 177.6019 65 S 4.4793 8.5654 118.0906 57.7656 65.3228 175.7039 66 K 3.9607 8.4414 120.9472 59.3508 31.4692 179.4337 67 L 3.9911 7.7844 119.6856 57.9581 42.1808 178.0037 68 D 4.5327 7.9163 118.0814 57.6367 41.0440 178.9051 69 R 4.0800 7.6978 118.3548 58.9994 30.1217 180.2780 70 E 4.1406 8.0312 118.3973 56.2478 29.5349 179.3343 *72 I 3.9009 7.8298 120.8608 61.3954 39.5309 177.9134 73 A 3.0284 7.8362 122.0065 55.0383 17.8503 179.9712 74 V 3.4487 7.5930 116.3041 65.8407 31.6796 178.0673 75 A 4.0081 7.7948 120.1659 55.0909 18.3757 179.6411 76 V 3.5342 7.7389 116.6862 66.4031 31.6026 178.4885 77 S 4.6626 8.1723 116.1735 60.9599 62.4276 176.8117 78 S 4.0729 8.3222 116.1745 61.4331 61.9679 176.1447 79 I 3.6835 7.4256 120.8032 64.0702 36.9661 177.2557 80 N 4.6656 7.8500 113.3660 52.2355 39.4286 174.4917 81 H 3.9608 7.5130 116.8980 56.8604 26.9073 176.2106 82 C 4.5052 8.3412 120.2032 58.4327 32.2427 171.7126 83 Y 4.3172 8.7291 130.1779 60.9368 38.4613 177.1932 84 Y 3.5043 8.0421 119.8007 60.9699 38.9820 177.7363 85 C 4.4459 8.1957 116.9388 62.4884 28.5158 175.9255 86 L 3.9809 8.2656 121.0540 57.8782 41.0754 179.6121 87 T 3.6340 7.5614 115.2172 66.5644 68.2518 176.6291 88 A 2.5800 7.3081 122.4146 54.7032 18.3271 179.0470 89 H 4.4284 8.2092 114.2261 57.4412 29.1178 177.9538 90 G 3.6947 7.8563 107.8465 48.0046 0.0000 175.4881 91 A 4.0260 7.6639 123.1097 54.6301 18.3366 179.6148 92 A 3.9815 7.6678 119.4984 55.1614 18.4624 180.0607 93 V 3.5248 8.0096 116.9244 66.2812 31.5061 178.4673 94 R 3.9531 8.0108 117.8273 59.1834 29.6275 178.8988 95 Q 3.9995 7.9142 118.3467 59.3238 29.2733 177.9092 96 L 4.1634 8.1550 119.3448 57.7453 41.7820 179.3618 97 S 4.3774 8.1708 112.9287 58.8393 63.2204 175.2711 98 G 3.8250 7.6676 109.4233 46.2733 0.0000 173.7439 99 D 4.6362 7.5827 118.3825 50.7006 43.1336 173.6857 100 P 4.2433 0.0000 0.0000 65.3323 31.2693 178.0734 101 A 3.9967 8.0366 117.9965 55.1772 18.3746 178.6916 102 L 4.1449 7.7956 117.2385 58.3778 42.4049 178.9777 103 G 3.9614 7.8270 105.5522 47.9184 0.0000 176.3169 104 E 4.4044 7.5955 117.9194 56.3709 29.5343 178.1640 *106 L 4.4578 7.8786 120.8449 55.0620 43.5236 178.5391 107 V 3.5091 7.4994 113.7271 64.2899 31.3450 175.1525 *109 N 4.3926 7.9382 117.1795 53.5159 38.7944 174.4827 110 F 4.3774 8.5816 122.0373 59.4701 38.1249 177.8423 111 R 3.7351 6.9196 119.4599 58.5517 29.8038 177.5870 112 A 4.0710 7.7216 119.3735 53.4761 18.6991 177.4120 113 A 4.4587 7.5981 118.8908 51.3067 19.8301 177.7554 114 D 4.6417 8.3166 121.2953 53.1089 39.7651 175.3865 115 L 4.6942 7.6569 122.1284 52.6351 43.7357 177.5337 116 S 4.3556 8.7714 117.1060 57.7986 64.7792 173.6965 117 P 4.2264 0.0000 0.0000 65.8437 30.7992 178.7251 118 R 3.8208 7.9019 115.7371 59.7514 30.0683 178.1355 119 Q 4.2142 7.7801 115.8305 59.1397 28.9047 178.4364 120 T 4.1539 8.2292 116.7249 66.5956 68.5380 177.4333 121 A 4.2804 8.1836 119.6902 52.9232 18.1538 179.0623 *123 L 4.0231 7.9004 122.7128 56.2726 43.8563 179.3645 124 E 4.0482 8.5134 118.4734 59.1575 29.2860 179.0982 125 F 4.0906 8.4061 120.5388 61.3174 39.5056 176.8276 126 A 3.9026 8.1386 119.8591 55.1985 18.0057 179.4870 127 V 3.4911 7.9232 116.6597 66.0989 31.5917 178.1964 128 K 3.8285 7.8906 119.2505 59.4516 31.8375 178.5421 129 L 3.7079 7.7026 119.6679 58.0774 41.8986 178.7677 130 T 4.0714 7.4917 115.2170 66.2109 68.6284 176.2301 131 E 4.3680 8.2235 119.4425 57.5715 31.6281 177.2889 132 E 4.7854 8.1639 116.4217 54.4386 30.3874 173.9609 133 P 4.1729 0.0000 0.0000 66.0009 32.1407 179.4230 134 A 4.0613 8.0207 121.0697 54.4485 18.3458 177.9328 135 K 4.4443 7.6166 112.8680 56.1301 32.4331 176.6256 136 I 4.1372 7.1570 120.0294 61.3343 37.5410 175.7235 137 V 4.6092 9.1195 117.5308 58.4313 35.9379 176.0639 138 E 3.9066 8.8901 120.4413 59.7254 29.1518 178.5300 139 A 4.2393 8.1360 120.1450 55.1809 18.1892 179.2594 140 D 4.4235 8.3837 117.8822 57.7294 40.8738 179.1573 141 R 3.7615 8.0456 117.9286 58.9286 30.0830 178.5444 142 A 3.9711 8.5457 120.8902 55.3627 18.2187 179.6040 143 A 3.9668 8.0803 119.0819 55.1799 18.5212 179.8718 144 L 4.0910 7.6988 117.7217 58.0657 41.7049 179.8559 145 R 4.1532 8.2885 118.2285 59.3848 29.8032 179.2432 146 K 3.9855 8.1833 117.0022 59.0460 32.1000 178.2780 147 A 4.2899 7.4454 118.6498 52.0996 18.8108 177.8807 148 G 3.8455 7.7744 105.5537 44.8587 0.0000 174.2104 149 F 4.6390 7.5750 118.7441 56.8459 39.8344 176.4230 150 S 4.5611 9.2927 120.6197 57.7551 65.3194 175.2682 151 D 4.3959 8.5525 121.5253 57.5063 40.4776 179.0780 152 R 3.9415 7.9751 118.8857 59.3945 29.8646 178.1216 153 D 4.4183 8.4731 119.0548 57.3544 40.7321 178.8083 154 I 3.4205 7.9251 120.3334 63.8739 37.0475 177.9315 155 W 4.1199 8.3295 129.3545 60.9726 30.4286 177.8096 156 D 4.4805 8.2939 118.4673 57.2376 40.1490 178.8488 157 I 3.5927 8.0652 120.6087 64.2980 37.0197 178.3481 158 A 4.0739 8.1825 121.8508 55.3304 18.1922 179.8722 159 S 3.8992 7.9561 113.7269 61.8558 62.7031 177.1886 160 T 3.9222 8.0983 118.2187 66.6336 68.3843 176.7565 161 A 4.0670 8.3417 122.7430 54.9822 18.1709 179.3487 162 A 3.9101 8.0179 118.5174 55.5017 18.5620 179.2568 163 F 4.0766 8.1525 117.5593 61.5755 39.6883 177.0531 164 F 4.0724 8.2629 117.1896 59.9743 38.3266 177.8707 165 N 4.5022 7.9623 113.1388 54.1648 38.1371 176.9452 *167 S 4.1580 8.2258 116.1863 58.6908 64.7938 176.0022 168 N 4.4282 8.5180 117.8903 56.4326 38.0600 177.6451 169 R 4.0149 7.5373 119.2665 58.7862 30.4216 179.0763 170 V 3.5135 7.6633 117.3904 65.9591 31.7485 177.8076 171 A 3.9152 8.0782 120.2363 54.9453 17.9865 179.4380 172 A 3.9489 7.9886 118.0133 55.3904 18.6145 179.2983 173 A 4.1311 8.1626 118.4709 54.4812 18.7122 178.3832 174 I 4.1273 7.5754 107.9100 59.4174 38.3307 172.0900 175 D 4.2267 7.8388 124.5738 54.3266 42.0308 172.6750 *177 R 4.5116 8.3417 122.5301 55.3055 31.0234 173.9198 178 P 4.1807 0.0000 0.0000 61.8966 32.4231 175.9259 179 N 4.3849 8.6187 117.1332 53.2374 39.0483 176.0064 180 D 4.4424 8.7359 121.7536 57.3092 41.4463 178.2298 181 E 3.9935 7.9253 118.1168 59.0073 29.8446 178.3502 182 Y 4.4729 7.3876 115.8893 61.4666 38.1725 177.5671 183 H 4.3139 7.9509 116.0131 58.9096 29.2482 176.5142 184 A 4.2079 7.1461 122.9613 50.7869 17.0143 177.4056 *186 A 4.1747 7.4278 124.7206 51.5295 20.4955 177.5293 187 R 4.2476 7.9364 124.5416 56.9485 30.4445 176.9992 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 G 8.45 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 4 K 7.84 4.14 0.00 1.87 1.60 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.06 7.81 5 I 8.11 4.25 1.90 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 1.48 1.03 0.97 0.00 0.00 6 S 7.69 4.99 0.00 4.10 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 7 A 8.76 4.31 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 8 L 7.45 4.14 0.00 1.61 1.54 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.35 4.60 0.00 2.58 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 10 L 7.64 4.40 0.00 1.70 1.43 0.92 0.84 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 11 A 8.36 4.41 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 12 S 8.03 4.63 0.00 3.59 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.34 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.48 4.19 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 2.35 0.00 15 L 8.24 4.14 0.00 1.62 1.52 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.30 4.34 0.00 4.00 3.93 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 17 E 8.65 3.96 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 18 P 0.00 4.25 0.00 2.09 2.06 0.00 3.49 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 2.16 0.00 19 T 7.47 3.67 4.11 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 0.23 0.00 0.00 20 K 7.99 3.85 0.00 1.96 1.89 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.68 7.81 21 A 7.89 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.10 4.07 0.00 3.16 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 23 F 8.72 4.40 0.00 3.35 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 24 A 8.54 4.02 1.43 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 0.00 0.00 25 K 8.12 3.93 0.00 1.86 1.80 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.66 7.81 26 C 7.79 3.83 0.00 3.04 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 27 E 8.34 3.93 0.00 2.02 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 0.00 2.29 2.37 0.00 28 E 8.25 3.96 0.00 2.11 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 29 K 8.56 4.08 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 30 L 8.57 4.19 0.00 1.66 1.67 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.12 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 32 L 7.08 4.40 0.00 1.35 1.43 0.71 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.86 3.90 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 0.76 0.00 0.00 34 P 0.00 4.48 0.00 2.29 2.16 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 35 N 9.63 4.39 0.00 3.05 3.02 0.00 0.00 6.40 8.54 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 36 V 8.15 3.41 1.76 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 0.97 0.00 0.00 0.44 0.00 0.00 37 L 7.63 4.11 0.00 1.73 2.06 1.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.01 4.28 0.00 1.93 1.90 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.46 7.81 39 A 7.68 3.98 1.11 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 0.00 0.00 40 Y 7.71 4.13 0.00 2.86 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 41 A 7.69 4.31 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.97 4.29 0.00 3.10 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 43 D 7.22 4.35 0.00 2.18 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 0.00 0.00 0.00 44 D 8.66 4.36 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.88 3.86 0.00 1.82 1.83 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.46 7.81 46 K 7.79 3.94 0.00 1.85 1.97 0.00 1.62 0.00 0.00 1.90 0.00 0.00 3.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.56 7.81 47 L 7.79 3.90 0.00 1.97 1.61 1.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.85 4.45 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 57 L 7.13 3.91 0.00 1.51 1.20 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 *59 L 7.80 4.18 0.00 1.81 1.75 1.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.51 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 61 E 8.39 4.01 0.00 1.92 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 0.00 2.27 2.29 0.00 62 S 7.94 4.55 0.00 3.80 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 63 G 8.60 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.61 4.49 0.00 1.68 1.61 0.88 0.93 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 65 S 8.57 4.48 0.00 4.08 4.02 0.00 0.00 0.00 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0.00 1.11 0.00 0.00 0.97 0.00 0.00 75 A 7.79 4.01 1.18 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 76 V 7.74 3.53 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 1.13 0.00 0.00 0.96 0.00 0.00 77 S 8.17 4.66 0.00 4.07 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 78 S 8.32 4.07 0.00 4.03 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 79 I 7.43 3.68 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.92 0.00 0.00 80 N 7.85 4.67 0.00 2.89 2.89 0.00 0.00 7.14 7.81 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 81 H 7.51 3.96 0.00 3.28 3.38 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.34 4.51 0.00 3.07 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 83 Y 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0.00 110 F 8.58 4.38 0.00 3.29 3.32 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 0.00 111 R 6.92 3.74 0.00 1.68 1.83 0.00 2.96 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 112 A 7.72 4.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.60 4.46 1.36 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 0.00 114 D 8.32 4.64 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.66 4.69 0.00 1.75 1.71 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.77 4.36 0.00 4.04 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 0.00 117 P 0.00 4.23 0.00 2.16 2.16 0.00 3.60 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 2.11 2.17 0.00 118 R 7.90 3.82 0.00 1.66 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.17 0.00 0.00 128 K 7.89 3.83 0.00 1.82 1.67 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 129 L 7.70 3.71 0.00 1.04 1.41 0.73 0.95 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 0.00 130 T 7.49 4.07 4.35 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 1.24 0.00 0.00 131 E 8.22 4.37 0.00 1.90 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 2.31 2.44 0.00 132 E 8.16 4.79 0.00 2.06 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 2.16 2.20 0.00 133 P 0.00 4.17 0.00 2.19 2.42 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 134 A 8.02 4.06 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 0.00 135 K 7.62 4.44 0.00 1.89 1.83 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.37 7.81 136 I 7.16 4.14 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 1.01 0.00 0.00 137 V 9.12 4.61 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 138 E 8.89 3.91 0.00 2.10 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 2.40 2.47 0.00 139 A 8.14 4.24 1.36 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 0.00 140 D 8.38 4.42 0.00 3.07 3.14 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 0.00 141 R 8.05 3.76 0.00 2.01 1.94 0.00 3.15 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 142 A 8.55 3.97 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 0.00 143 A 8.08 3.97 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 0.00 144 L 7.70 4.09 0.00 1.69 1.74 -0.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.29 4.15 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 146 K 8.18 3.99 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 147 A 7.45 4.29 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 0.00 148 G 7.77 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 0.00 149 F 7.57 4.64 0.00 3.20 2.87 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 0.00 150 S 9.29 4.56 0.00 4.05 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 0.00 151 D 8.55 4.40 0.00 2.80 2.80 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 0.00 152 R 7.98 3.94 0.00 1.88 1.93 0.00 3.16 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 153 D 8.47 4.42 0.00 3.08 2.80 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 0.00 154 I 7.93 3.42 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.88 0.71 0.00 0.00 155 W 8.33 4.12 0.00 3.51 3.30 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 0.00 156 D 8.29 4.48 0.00 2.92 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 0.00 157 I 8.07 3.59 1.62 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.47 0.91 0.00 0.00 158 A 8.18 4.07 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 0.00 159 S 7.96 3.90 0.00 3.96 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 0.00 160 T 8.10 3.92 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 1.30 0.00 0.00 161 A 8.34 4.07 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 0.00 162 A 8.02 3.91 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 0.00 163 F 8.15 4.08 0.00 3.03 3.18 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 0.00 164 F 8.26 4.07 0.00 3.16 3.16 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 0.00 165 N 7.96 4.50 0.00 2.97 2.81 0.00 0.00 6.88 7.13 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 *167 S 8.23 4.16 0.00 3.80 3.84 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 0.00 0.00 0.00 0.00 168 N 8.52 4.43 0.00 2.79 2.93 0.00 0.00 7.11 7.57 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 0.00 169 R 7.54 4.01 0.00 1.72 1.95 0.00 3.24 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 170 V 7.66 3.51 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 0.97 0.00 0.00 0.92 0.00 0.00 171 A 8.08 3.92 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 0.00 172 A 7.99 3.95 1.43 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 0.00 0.00 173 A 8.16 4.13 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 0.00 174 I 7.58 4.13 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.85 0.00 0.00 175 D 7.84 4.23 0.00 2.96 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *177 R 8.34 4.51 0.00 1.98 2.05 0.00 3.66 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 178 P 0.00 4.18 0.00 1.76 1.16 0.00 3.81 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 0.00 179 N 8.62 4.38 0.00 2.23 2.72 0.00 0.00 6.49 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 0.00 180 D 8.74 4.44 0.00 2.77 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 0.00 181 E 7.93 3.99 0.00 1.84 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 2.29 2.32 0.00 182 Y 7.39 4.47 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 H 7.95 4.31 0.00 3.25 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.15 4.21 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 *186 A 7.43 4.17 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 0.00 187 R 7.94 4.25 0.00 1.81 1.84 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.