NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.3265 8.3193 116.7978 59.1136 64.6434 173.6290 10 I 3.0632 6.7105 112.3481 58.8238 37.5798 172.5310 11 K 4.6390 8.0850 123.5318 53.9991 37.1186 174.7530 12 P 4.6167 0.0000 0.0000 62.0601 32.9534 175.7664 *15 T 4.3070 8.1247 113.2530 62.3678 70.3261 174.3738 16 R 4.5421 7.1445 120.8833 56.3963 32.7653 173.8414 17 R 4.5511 8.5090 116.1205 56.1425 29.8361 177.1046 18 E 5.7511 7.4513 124.0338 56.9068 33.2266 176.9616 19 Y 4.5102 8.3296 116.9805 58.6521 40.1373 176.4453 20 I 4.2643 7.6524 111.1944 60.8472 38.9231 176.5143 21 S 4.8093 7.5519 112.6498 56.5983 63.2756 174.2968 22 G 4.0042 8.1427 114.7886 46.8225 0.0000 168.6671 23 I 3.5132 7.9993 133.1846 60.4381 38.6820 171.8424 24 P 4.8291 0.0000 0.0000 61.5295 33.7955 174.4002 25 G 3.8629 8.3814 104.4536 44.6700 0.0000 175.7384 26 K 3.7167 8.3609 116.9091 55.7154 32.2477 173.6711 27 G 3.8109 7.8519 112.2668 46.1572 0.0000 172.4310 28 I 4.2457 7.5751 126.9936 60.8470 41.2735 174.0072 29 A 4.6307 8.3290 118.3761 54.4313 18.8184 175.1950 30 Q 2.9708 7.6846 118.5063 57.2439 28.6594 173.1489 31 F 4.3619 8.0777 116.2362 59.0165 40.1503 176.5637 32 K 4.3419 8.0999 123.6065 57.9199 34.1542 177.1821 33 M 4.3248 8.4566 119.3363 55.6975 34.6824 173.7893 34 G 4.4596 8.4684 105.7906 46.8522 0.0000 171.3571 35 N 5.0949 8.4041 116.7825 52.4877 43.4773 177.0661 36 N 3.9121 7.9684 113.8247 52.4678 42.3707 177.7874 *41 T 4.2101 8.5527 116.2518 63.8508 68.9594 172.9863 42 Y 4.5756 9.1073 124.0103 59.0560 38.6544 174.7186 43 P 4.4026 0.0000 0.0000 62.3409 32.1176 175.3409 44 A 3.3354 6.0999 121.5234 47.5393 18.7279 176.2349 45 Q 3.9580 8.2961 122.3665 54.6138 29.7920 174.7954 46 V 4.4581 7.6074 123.1539 61.1266 34.3085 174.3024 47 E 5.2711 8.4548 125.2488 56.6328 32.9451 173.2704 48 N 6.0770 9.0496 115.4130 53.0895 41.1891 174.1494 49 V 4.6279 8.3103 120.0508 62.1130 34.9720 171.7887 50 V 4.5569 7.4485 121.1361 62.8730 34.5209 175.6571 51 E 4.8204 8.4808 112.2325 56.8862 35.0711 176.4988 52 K 4.6023 8.2416 120.0209 55.6058 33.1079 174.4989 53 P 5.1335 0.0000 0.0000 60.8028 33.2532 175.3031 54 V 4.0716 8.2930 118.5457 60.0232 34.9035 171.5100 55 Q 4.3354 9.3748 128.5104 61.1527 26.6049 178.2888 56 I 3.2571 7.7312 118.1841 59.6448 36.6603 177.2910 57 R 4.5119 9.2287 127.5542 57.0635 28.7845 177.6974 58 H 4.1276 9.0362 115.5797 53.9046 32.3115 181.0557 59 N 3.7396 9.4620 110.5405 53.5871 40.5426 176.9606 60 A 3.8708 7.9031 121.1984 53.8294 22.0421 180.2357 61 L 3.9870 12.0000 115.2762 56.9883 41.3582 181.7257 62 E 3.0436 9.2042 120.4577 55.1188 32.0782 178.3751 63 A 4.1269 8.5824 113.1056 49.6069 20.7659 182.4197 64 A 3.3208 10.1220 122.6149 55.4607 19.3221 180.6183 65 R 3.4804 5.8400 123.3030 58.3310 30.6706 176.3239 66 N 4.2327 9.0417 115.8794 56.7615 38.4147 177.4147 67 A 4.3239 8.4211 121.2399 55.2969 18.6762 179.3430 68 A 4.2469 8.5060 120.1111 55.6831 18.7100 179.5642 69 N 3.9005 8.9927 115.5423 56.1588 37.0401 177.2451 70 R 3.8680 7.6530 119.3718 58.7327 30.1656 177.9640 71 F 4.6494 8.4819 115.2277 55.8192 40.1494 176.9323 72 V 4.0330 9.2202 115.2712 62.5900 30.0455 176.4736 73 Q 5.3774 8.2089 122.3461 56.2340 28.1621 173.0918 74 N 4.4306 7.9011 112.0124 52.7018 38.0974 174.9658 75 S 4.7032 9.0397 116.9201 57.4640 63.6968 173.2968 76 G 4.3574 8.2704 121.0209 45.6538 0.0000 172.7592 *82 K 4.0536 7.0180 118.0663 55.6477 32.6917 178.8237 83 F 3.3119 8.1916 113.2892 58.4229 39.8811 177.0544 84 R 4.3511 8.5426 119.9614 57.1413 31.4765 176.2630 85 I 4.9432 8.2207 112.4605 60.9634 39.9631 175.9002 86 R 5.3851 8.6897 129.7032 55.5264 29.1520 174.3143 87 K 3.3454 7.9576 116.4556 54.4593 36.3214 173.9780 88 F 4.4946 8.3387 115.6786 55.7123 37.8148 171.8484 89 P 5.4241 0.0000 0.0000 62.8910 32.1389 175.4344 90 F 4.8709 8.4451 113.9519 57.6561 42.5595 173.0206 91 H 5.0613 7.8063 115.1115 55.3212 32.2898 171.7571 92 V 4.6844 7.7589 109.8880 60.8245 35.3144 174.8822 93 I 4.5385 8.7534 129.3359 60.7821 37.8624 177.2249 94 R 5.8151 8.5007 130.9301 56.8151 31.3046 173.9883 95 E 4.6785 7.4969 125.0252 55.9255 33.6732 178.0766 96 Q 3.9661 9.1454 121.5458 56.9554 28.6970 175.2971 97 D 4.3735 8.4147 119.4351 57.4174 44.2669 172.9265 98 G 4.0799 8.7620 118.1846 44.7026 0.0000 173.8153 99 D 4.4397 8.8540 124.6417 54.6047 40.7791 175.8573 100 G 4.0083 7.0083 114.1862 45.9097 0.0000 173.2925 101 M 4.8777 7.8356 117.8960 55.5493 37.8459 178.0170 102 R 4.4112 7.6362 117.8324 54.6098 29.4275 178.1373 103 A 3.9464 8.7434 130.1184 52.7068 17.1769 173.8081 104 P 4.7284 0.0000 0.0000 61.6979 33.2701 176.7359 105 F 4.0516 9.8844 124.2043 57.4314 37.7683 177.1530 106 G 4.7371 8.4412 117.3617 46.7108 0.0000 173.0653 107 K 4.7598 7.6911 123.9959 54.3185 35.0591 176.0712 108 S 4.5775 8.6832 122.5427 57.9079 64.6066 172.1012 109 V 3.9649 9.3528 114.7383 61.9468 33.0183 170.4621 110 G 3.6224 8.5367 115.1459 46.3173 0.0000 171.9655 111 T 5.3286 7.6115 120.8250 61.3213 71.6238 174.6697 112 A 4.6153 7.9767 128.8445 51.1533 26.3000 178.0349 113 A 4.5261 8.4572 115.6364 53.4589 23.1189 175.1993 114 R 4.2062 8.8178 122.3504 56.3309 30.7586 177.5490 115 S 4.5207 8.3715 122.7140 56.7391 62.0093 170.2579 116 H 4.0128 9.0500 120.9806 57.3046 28.2690 176.9781 117 G 3.9267 8.7039 111.2871 46.2507 0.0000 173.0326 118 A 4.0885 7.4225 123.4524 52.9048 18.2310 177.3993 119 N 4.6422 8.2188 114.9445 51.3217 37.6140 173.0213 120 H 4.3639 8.3030 116.1311 56.6693 28.8479 176.1345 121 D 4.6797 7.8664 135.0000 53.7280 42.3650 178.9736 122 F 5.1047 8.9606 128.1070 57.1356 41.7890 173.2775 123 I 4.8919 8.8788 121.3553 59.8945 39.1580 176.7242 124 A 4.8394 9.4995 130.7718 49.3449 17.9305 173.5511 125 W 4.5747 8.1788 128.9954 54.8289 32.7718 174.9348 126 V 4.7504 7.0940 127.4797 61.2644 34.9530 173.1797 127 N 4.4019 8.8278 117.2522 53.1892 37.5575 177.0373 128 P 4.5028 0.0000 0.0000 62.7534 30.7891 175.5080 129 D 4.7254 7.7733 128.2135 51.7884 41.6417 174.3006 130 P 3.7823 0.0000 0.0000 65.3105 31.6303 177.9310 131 A 4.3220 7.8179 119.1365 54.3820 18.5347 178.1422 132 V 4.1920 7.3781 115.7135 62.9729 33.0780 177.3106 133 E 3.8445 8.1705 118.6095 59.4216 29.1800 178.7632 134 F 4.3133 6.7832 117.8530 58.4569 39.4205 177.0073 135 A 3.8006 9.3040 111.9666 56.3329 17.7356 180.9208 136 W 5.0966 5.8861 122.3077 59.0927 29.9506 177.3221 137 R 3.7667 9.0127 115.7292 58.7148 29.6416 177.9250 138 R 3.8360 9.6278 119.3408 59.4163 30.1284 179.0235 139 A 3.9141 10.6000 119.4695 55.8577 18.4635 177.9800 140 Y 3.6928 8.5956 115.6314 59.7740 38.1509 181.1340 141 M 3.2563 6.7686 119.7514 57.4072 34.7437 180.5204 142 K 4.3368 7.2558 116.4946 54.2612 33.0137 178.8121 143 V 3.2497 8.2429 112.1764 61.8261 29.6865 172.2970 144 T 4.1411 8.1644 126.0131 63.0709 70.0402 172.6349 145 P 4.4693 0.0000 0.0000 62.1811 31.1416 176.4971 146 T 3.4354 7.2801 114.6726 59.4166 68.0902 172.3633 147 V 3.7365 7.5772 119.0624 62.0056 32.0765 170.0433 148 N 4.8733 9.0572 122.6232 51.7620 41.4013 173.1242 149 I 3.7928 8.0030 127.3396 60.2785 38.1422 174.6553 150 D 4.6764 8.2618 125.0892 52.8114 43.1765 173.1634 151 S 5.8063 8.3930 113.5721 56.1385 66.6495 172.1792 152 S 4.8616 8.4037 114.5221 55.7877 66.2219 170.1126 153 P 4.2537 0.0000 0.0000 66.1164 30.5953 174.2398 154 A 4.3335 8.9851 128.4918 53.9370 17.6721 176.8683 155 G 4.1103 8.8409 102.0057 44.8612 0.0000 175.2965 156 N 4.8325 9.1584 116.4533 53.3233 41.5749 172.7662 157 A 3.9323 8.0408 124.9940 52.7168 18.3340 178.3025 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 9 S 8.32 4.33 0.00 3.90 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 10 I 6.71 3.06 1.88 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 1.42 0.60 0.92 0.00 0.00 11 K 8.09 4.64 0.00 1.75 1.79 0.00 2.03 0.00 0.00 1.81 0.00 0.00 3.33 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.54 1.42 7.81 12 P 0.00 4.62 0.00 2.23 2.10 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.27 0.00 *15 T 8.12 4.31 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 1.20 0.00 0.00 16 R 7.14 4.54 0.00 2.09 2.12 0.00 2.95 0.00 0.00 2.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 17 R 8.51 4.55 0.00 1.85 1.99 0.00 3.53 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 18 E 7.45 5.75 0.00 1.75 1.81 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 2.20 2.07 0.00 19 Y 8.33 4.51 0.00 2.89 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 20 I 7.65 4.26 1.90 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 1.81 0.66 0.97 0.00 0.00 21 S 7.55 4.81 0.00 3.97 3.89 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 22 G 8.14 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 0.00 0.00 0.00 23 I 8.00 3.51 1.87 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 1.47 0.47 0.91 0.00 0.00 24 P 0.00 4.83 0.00 2.23 2.07 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 25 G 8.38 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 26 K 8.36 3.72 0.00 1.84 1.75 0.00 1.36 0.00 0.00 0.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.05 1.28 7.81 27 G 7.85 3.81 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 0.00 0.00 0.00 28 I 7.58 4.25 1.91 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 1.78 0.30 0.94 0.00 0.00 29 A 8.33 4.63 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 30 Q 7.68 2.97 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 31 F 8.08 4.36 0.00 2.99 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 32 K 8.10 4.34 0.00 1.92 1.94 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 33 M 8.46 4.32 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 34 G 8.47 4.46 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 0.00 35 N 8.40 5.09 0.00 2.66 2.67 0.00 0.00 6.82 7.79 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 36 N 7.97 3.91 0.00 2.77 2.11 0.00 0.00 7.13 7.64 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 *41 T 8.55 4.21 4.94 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 0.57 0.00 0.00 42 Y 9.11 4.58 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.40 0.00 2.11 2.04 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 44 A 6.10 3.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.30 3.96 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.64 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 46 V 7.61 4.46 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 0.80 0.00 0.00 0.74 0.00 0.00 47 E 8.45 5.27 0.00 2.25 2.27 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 2.35 2.52 0.00 48 N 9.05 6.08 0.00 2.90 2.74 0.00 0.00 6.32 7.76 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 49 V 8.31 4.63 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 0.88 0.00 0.00 0.90 0.00 0.00 50 V 7.45 4.56 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 0.92 0.00 0.00 0.87 0.00 0.00 51 E 8.48 4.82 0.00 1.95 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 0.00 2.17 2.18 0.00 52 K 8.24 4.60 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 53 P 0.00 5.13 0.00 2.07 2.04 0.00 3.40 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 54 V 8.29 4.07 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 0.70 0.00 0.00 0.94 0.00 0.00 55 Q 9.37 4.34 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 56 I 7.73 3.26 1.91 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 1.42 0.95 0.91 0.00 0.00 57 R 9.23 4.51 0.00 1.78 1.87 0.00 3.40 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 58 H 9.04 4.13 0.00 3.23 3.34 0.00 5.46 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 9.46 3.74 0.00 2.90 2.92 0.00 0.00 6.63 7.99 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 60 A 7.90 3.87 1.27 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 0.00 0.00 0.00 61 L 12.00 3.99 0.00 1.66 1.48 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.20 3.04 0.00 2.17 1.93 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 2.40 2.45 0.00 63 A 8.58 4.13 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 64 A 10.12 3.32 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 65 R 5.84 3.48 0.00 2.02 1.79 0.00 2.59 0.00 0.00 2.62 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.92 0.00 66 N 9.04 4.23 0.00 2.82 2.86 0.00 0.00 7.01 7.35 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 67 A 8.42 4.32 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.25 2.12 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 0.00 0.00 69 N 8.99 3.90 0.00 2.60 2.96 0.00 0.00 7.08 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.65 3.87 0.00 1.45 1.78 0.00 3.68 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 71 F 8.48 4.65 0.00 2.97 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 72 V 9.22 4.03 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 0.98 0.00 0.00 1.42 0.00 0.00 73 Q 8.21 5.38 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 74 N 7.90 4.43 0.00 2.80 2.69 0.00 0.00 5.70 7.64 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 75 S 9.04 4.70 0.00 3.87 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 76 G 8.27 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 *82 K 7.02 4.05 0.00 2.22 2.11 0.00 1.44 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.76 7.81 83 F 8.19 3.31 0.00 2.78 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 84 R 8.54 4.35 0.00 1.93 2.06 0.00 3.21 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 85 I 8.22 4.94 0.83 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.29 0.39 0.00 0.00 86 R 8.69 5.39 0.00 2.28 2.27 0.00 3.23 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 87 K 7.96 3.35 0.00 1.81 1.56 0.00 1.57 0.00 0.00 1.39 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 1.17 7.81 88 F 8.34 4.49 0.00 4.47 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 89 P 0.00 5.42 0.00 2.34 2.16 0.00 3.52 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 90 F 8.45 4.87 0.00 2.84 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 91 H 7.81 5.06 0.00 3.20 3.45 0.00 5.49 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.76 4.68 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 0.82 0.00 0.00 0.95 0.00 0.00 93 I 8.75 4.54 1.88 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 1.22 0.49 0.92 0.00 0.00 94 R 8.50 5.82 0.00 1.89 1.98 0.00 3.29 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 95 E 7.50 4.68 0.00 2.10 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 2.16 2.12 0.00 96 Q 9.15 3.97 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 97 D 8.41 4.37 0.00 2.62 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 98 G 8.76 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.85 4.44 0.00 2.75 2.70 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 0.00 100 G 7.01 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 0.00 0.00 0.00 101 M 7.84 4.88 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 102 R 7.64 4.41 0.00 1.86 1.34 0.00 3.31 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 103 A 8.74 3.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.73 0.00 2.21 2.12 0.00 3.72 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 1.95 1.97 0.00 105 F 9.88 4.05 0.00 3.02 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 0.00 106 G 8.44 4.74 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 0.00 0.00 0.00 107 K 7.69 4.76 0.00 1.92 1.65 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.36 7.81 108 S 8.68 4.58 0.00 3.92 3.91 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 0.00 109 V 9.35 3.96 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 0.64 0.00 0.00 0.99 0.00 0.00 110 G 8.54 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 0.00 0.00 0.00 111 T 7.61 5.33 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 1.31 0.00 0.00 112 A 7.98 4.62 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.46 4.53 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 0.00 114 R 8.82 4.21 0.00 1.88 1.89 0.00 3.28 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 115 S 8.37 4.52 0.00 3.98 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 0.00 116 H 9.05 4.01 0.00 3.18 3.42 0.00 5.54 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.70 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 0.00 0.00 0.00 118 A 7.42 4.09 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 0.00 119 N 8.22 4.64 0.00 3.09 3.27 0.00 0.00 5.93 7.90 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 0.00 120 H 8.30 4.36 0.00 3.15 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.87 4.68 0.00 2.67 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 0.00 122 F 8.96 5.10 0.00 3.45 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 0.00 123 I 8.88 4.89 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 1.34 0.00 0.00 124 A 9.50 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.18 4.57 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.09 4.75 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 0.83 0.00 0.00 1.04 0.00 0.00 127 N 8.83 4.40 0.00 2.72 2.09 0.00 0.00 6.93 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 0.00 128 P 0.00 4.50 0.00 2.15 2.06 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 129 D 7.77 4.73 0.00 2.60 2.45 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 0.00 130 P 0.00 3.78 0.00 1.83 2.13 0.00 3.75 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 2.18 2.08 0.00 131 A 7.82 4.32 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 0.00 132 V 7.38 4.19 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 0.88 0.00 0.00 1.08 0.00 0.00 133 E 8.17 3.84 0.00 2.08 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 2.10 1.47 0.00 134 F 6.78 4.31 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 9.30 3.80 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 0.00 136 W 5.89 5.10 0.00 3.32 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 0.00 137 R 9.01 3.77 0.00 2.05 2.57 0.00 3.60 0.00 0.00 3.21 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 138 R 9.63 3.84 0.00 1.66 1.71 0.00 3.29 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.13 0.00 139 A 10.60 3.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.60 3.69 0.00 3.06 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 0.00 141 M 6.77 3.26 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 142 K 7.26 4.34 0.00 1.68 1.35 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 143 V 8.24 3.25 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 0.70 0.00 0.00 0.93 0.00 0.00 144 T 8.16 4.14 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 1.20 0.00 0.00 145 P 0.00 4.47 0.00 2.17 2.15 0.00 3.75 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 1.94 1.91 0.00 146 T 7.28 3.44 4.22 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 1.19 0.00 0.00 147 V 7.58 3.74 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.95 0.00 0.00 148 N 9.06 4.87 0.00 3.10 2.71 0.00 0.00 7.39 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 0.00 149 I 8.00 3.79 1.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.35 0.64 0.00 0.00 150 D 8.26 4.68 0.00 2.73 2.70 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 0.00 151 S 8.39 5.81 0.00 3.72 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 0.00 152 S 8.40 4.86 0.00 4.18 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.25 0.00 2.28 2.13 0.00 4.04 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 154 A 8.99 4.33 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 0.00 155 G 8.84 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 0.00 0.00 0.00 0.00 156 N 9.16 4.83 0.00 2.58 2.69 0.00 0.00 7.00 7.96 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 0.00 157 A 8.04 3.93 1.28 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.