NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5163 8.3649 120.2635 53.2644 39.8769 174.1288 6 F 4.4345 7.9579 124.9457 55.8229 40.5924 171.9954 7 E 3.5437 8.7009 120.4348 56.6902 30.5029 174.8694 8 E 3.8067 8.1866 130.5501 56.2202 27.5090 172.0416 9 K 4.4136 8.9392 125.0246 54.5554 34.3176 174.6432 10 M 4.4021 8.6985 128.3482 55.9545 31.4043 176.3723 11 I 4.0215 8.6287 128.7969 61.8714 37.5142 177.3809 12 L 4.9095 9.1404 126.2720 54.6816 44.3483 177.1391 13 I 5.3496 8.2675 120.1901 59.6946 41.1064 175.1456 14 R 4.5106 8.8964 121.9588 54.8723 32.7626 174.6022 15 R 4.1709 8.6571 125.3638 55.5548 28.7262 176.1222 16 T 4.3825 8.0482 114.6072 62.0814 71.0647 173.5151 17 A 4.4140 7.4329 121.1351 51.9498 22.8152 176.1979 18 R 4.6247 7.9989 115.0302 54.7338 33.4494 175.1499 19 M 4.5834 8.4015 120.0986 53.8047 33.6007 175.4603 20 Q 4.8226 7.7290 123.6048 55.9728 32.4163 172.4641 21 A 3.8828 7.8470 127.5973 51.4501 19.9865 176.9750 22 G 4.0665 9.6802 105.4637 46.9454 0.0000 172.5032 23 G 3.8153 6.8526 104.4040 43.4391 0.0000 173.2775 24 R 4.5888 8.2234 115.6317 54.2327 31.4431 175.6254 25 R 4.4882 8.1788 123.3511 54.7950 31.8195 175.2420 26 F 4.8712 9.0268 129.4642 59.2723 41.4827 174.8010 27 R 5.0236 7.6951 124.9315 57.5364 32.9258 174.2860 28 F 5.1897 8.8295 122.1895 55.6696 43.0144 174.5262 29 G 4.6890 9.0539 107.5401 44.4600 0.0000 171.4288 30 A 5.4599 9.4236 125.5358 49.8348 22.1403 174.5022 31 L 5.2629 8.9282 124.7144 53.4417 44.3872 175.3031 32 V 4.7168 9.0563 126.4991 61.1567 35.0520 174.4810 33 V 4.9823 8.4485 126.2028 61.6059 34.8575 174.6834 34 V 4.7342 8.4924 121.7923 61.0637 35.0339 172.6995 35 G 4.8205 8.7821 109.9828 46.7643 0.0000 172.5575 36 D 5.0714 8.5998 116.7331 52.4913 40.3837 176.8888 37 R 4.1320 8.7041 117.4081 57.3499 27.5002 176.9355 38 Q 4.4697 8.6498 114.2436 54.8353 29.5829 176.8125 39 G 4.3758 8.2977 105.0037 45.9487 0.0000 171.5581 40 R 4.9872 7.7707 119.7583 54.5328 32.2660 175.6127 41 V 4.6290 8.6680 123.3995 61.1753 35.6413 174.0676 42 G 4.7282 9.4037 113.7592 44.0751 0.0000 170.9826 43 L 5.3231 8.6192 124.9351 52.9913 44.5968 175.7313 44 G 4.4132 9.3792 113.0351 44.4683 0.0000 170.7873 45 F 5.6698 8.9093 124.8549 56.3294 42.4056 174.2317 46 G 3.9882 8.9421 111.2743 44.7707 0.0000 171.6631 47 K 5.2263 7.9399 119.6992 54.6631 35.8305 175.0761 48 A 4.5557 8.5455 121.9548 50.8757 22.7267 175.9492 49 P 4.5328 0.0000 0.0000 64.3955 31.9272 177.2099 50 E 4.2602 7.6820 118.1515 53.1849 33.8881 175.0880 51 V 3.3400 7.5505 124.5730 66.0004 31.4147 176.2100 52 P 4.1664 0.0000 0.0000 66.0150 31.4147 178.4444 53 L 4.0890 7.9750 116.5157 57.8148 41.4379 179.6162 54 A 3.9803 8.0103 120.6275 55.2006 18.5600 179.8309 55 V 3.5930 8.2113 117.2884 66.2262 31.4774 177.4311 56 Q 3.9519 8.6214 119.5286 59.5920 28.8201 178.6180 57 K 4.0053 8.2119 118.2393 59.5373 32.2333 178.7571 58 A 4.2355 8.1888 121.1285 55.6181 18.2496 180.0266 59 G 3.5641 8.1654 103.1832 48.2068 0.0000 174.9858 60 Y 4.2887 8.0240 121.1835 60.4541 38.6882 177.4923 61 Y 4.1768 8.5137 117.0784 59.9876 38.5460 177.1736 62 A 4.1375 8.5329 121.9224 55.6613 18.2044 179.8273 63 R 3.5827 7.7694 114.7964 59.4425 30.2837 178.4053 64 R 3.9877 7.4678 114.0681 56.8634 29.9487 175.8754 65 N 4.7120 8.2525 117.1258 53.4379 41.1818 172.7454 66 M 5.5745 8.2550 124.8701 53.9997 36.8876 174.5316 67 V 4.5795 8.7356 117.8884 60.5360 35.3668 173.7019 68 E 4.5444 8.6759 120.9139 55.8197 30.6248 176.5646 69 V 3.9997 10.2941 126.8614 60.1551 31.3778 173.4290 70 P 4.8201 0.0000 0.0000 62.2720 28.5765 175.8011 71 L 4.2623 7.5497 123.6485 55.2856 42.6678 176.9929 72 Q 4.5692 8.6178 112.9309 56.9379 30.6256 174.4798 73 N 4.4247 9.3984 119.2539 53.3753 36.4750 175.3301 74 G 4.0249 9.3123 106.6258 45.4435 0.0000 172.9297 75 T 4.8177 7.6311 112.7036 59.8282 70.8289 172.7174 76 I 3.9411 8.0307 124.4112 59.8287 38.5654 174.2112 77 P 4.4185 0.0000 0.0000 65.9417 31.5192 175.0872 78 H 4.7038 7.5457 111.4774 55.3526 30.8492 172.4051 79 E 5.4929 9.0849 117.2717 54.6624 31.4318 175.8371 80 I 4.7584 8.0482 115.1875 59.3992 41.6179 173.3344 81 E 5.2417 8.7713 122.6331 54.7163 32.1766 175.5443 82 V 4.5402 8.5829 122.9468 61.0981 35.6775 174.0186 83 E 5.2138 8.8630 125.1899 54.0381 31.8086 175.8831 84 F 4.7094 9.1839 128.6028 56.5782 39.5545 176.3053 85 G 3.7390 7.8897 118.2331 44.9491 0.0000 172.8692 86 A 4.3026 8.5826 128.7773 52.3219 19.3869 177.1268 87 S 5.1554 7.6036 112.2466 56.9087 65.8969 173.1287 88 K 5.0924 8.2700 121.9906 55.1185 35.9923 174.5822 89 I 5.1547 8.7597 125.8167 59.2701 42.1216 173.7719 90 V 4.9017 8.5264 126.8465 61.0380 34.8370 174.0626 91 L 5.2112 8.7085 126.5441 52.7762 45.0250 175.3092 92 K 4.9796 9.1086 125.0941 53.5449 35.2962 173.5653 93 P 4.7525 0.0000 0.0000 63.0248 31.9641 175.4758 94 A 4.8506 8.1660 122.2624 49.8468 22.2053 176.0212 95 A 4.1559 8.5482 123.4997 51.0104 19.3513 175.5610 96 P 5.3798 0.0000 0.0000 63.7437 31.8172 177.1147 97 G 4.0614 8.4543 109.9470 45.9976 0.0000 175.3770 98 T 3.9460 7.2170 115.8361 66.2054 69.4088 174.9724 99 G 4.1216 8.4209 106.8812 42.7977 0.0000 171.4123 100 V 5.1336 8.3891 112.7051 58.4806 34.5430 175.6867 101 I 4.3491 8.4217 119.6674 59.8030 38.5376 174.2652 102 A 4.5428 7.5843 127.7239 51.0841 22.8407 175.2250 103 G 3.7916 8.5102 108.2893 44.6037 0.0000 174.7045 104 A 4.1765 8.4965 118.1459 53.2700 17.8930 177.8272 105 V 4.2428 7.7646 114.6635 64.3159 33.3114 175.7086 106 P 4.4064 0.0000 0.0000 65.3435 31.1977 177.2560 107 R 4.1520 8.1331 119.4643 57.6090 30.0808 177.4985 108 A 3.9763 7.7560 119.4469 55.4713 18.3076 179.6092 109 I 3.6386 7.5056 118.1510 64.5889 37.2757 178.4684 110 L 4.2060 7.6924 118.4209 56.3546 41.4915 179.2060 111 E 3.9939 8.2581 119.4910 59.2320 29.9455 178.5241 112 L 4.2471 7.8917 117.1204 56.2127 41.8899 178.4315 113 A 4.3420 7.7323 120.4371 52.2514 18.6965 177.6300 114 G 3.8210 8.4749 105.5004 46.4689 0.0000 173.7309 115 V 4.5162 7.3870 117.5832 61.6091 33.7829 175.6914 116 T 4.6645 8.9670 116.7993 63.8822 72.7480 173.5519 117 D 4.7521 7.7599 121.9435 53.0471 43.4517 173.3330 118 I 4.9315 8.9167 122.2984 59.4442 42.4393 172.7444 119 L 4.9961 9.1718 128.7831 53.2739 43.9967 175.6770 120 T 5.7155 8.3644 112.6449 58.9177 72.9824 172.8753 121 K 4.4753 8.2756 123.1393 55.1564 35.7984 174.4516 122 E 4.7628 8.8745 127.2776 56.0006 30.5204 175.6070 123 L 4.7208 8.8770 124.8107 54.1359 45.4829 176.7556 124 G 3.6685 8.7538 107.2529 46.8386 0.0000 172.8482 125 S 4.2946 8.7979 115.7504 58.9173 62.8766 174.9524 126 R 4.5477 8.1054 120.2004 55.3368 30.9906 175.8357 127 N 4.2843 8.1572 117.4657 53.9376 39.4614 172.8174 128 P 3.9885 0.0000 0.0000 65.8796 31.3858 178.1179 129 I 3.1712 7.4740 117.5675 64.7981 37.2349 177.9548 130 N 4.5652 7.9532 116.2396 56.0354 38.3136 177.5081 131 I 3.7454 7.7031 120.7567 64.4292 37.3937 177.7493 132 A 4.0298 8.1644 121.9712 55.2765 18.1127 178.9825 133 Y 4.2352 7.7823 113.9714 61.2415 37.6857 179.3258 134 A 4.1194 7.9685 120.8203 55.1322 18.6353 179.7087 135 T 3.9810 8.2968 114.8406 67.0002 68.6171 176.6407 136 M 3.9615 8.0667 120.1093 58.8678 31.8135 178.5297 137 E 3.4830 7.7245 116.7785 59.0353 29.9278 178.4642 138 A 4.0887 8.6038 121.7414 54.8377 18.5048 179.2368 139 L 3.8925 7.8557 116.3460 58.0143 41.6949 179.5447 140 R 4.0706 8.5366 116.2429 57.9955 29.9644 176.4569 141 Q 4.5787 7.9945 115.6273 56.2086 29.5714 174.9124 142 L 4.4627 8.2148 119.8887 53.9174 42.1323 176.4182 143 R 4.6530 8.5802 122.9975 54.4472 32.6343 175.9134 144 T 4.4555 8.4191 112.1303 60.0487 70.7009 175.6806 145 K 3.8366 8.6559 122.7643 60.3416 31.8717 177.4537 146 A 4.8468 8.1804 122.7615 53.0988 17.9267 178.7700 147 D 4.3650 7.8633 118.3213 57.7485 41.7238 179.2335 148 V 3.5072 8.0580 118.2566 66.2357 30.9060 177.4325 149 E 4.1912 8.7219 118.0051 59.3806 29.2778 178.9944 150 R 4.1525 7.8270 118.1759 57.8838 30.2097 176.4818 151 L 4.5850 7.9622 117.5043 54.9715 41.6681 177.1348 152 R 4.8092 7.6136 113.8677 56.1469 33.6240 176.4746 153 K 4.4530 8.1501 121.8363 56.6217 31.5685 179.9105 154 G 3.9690 8.7870 113.2935 45.1060 0.0000 172.8486 *155 E 4.1319 7.9904 117.7238 56.3962 30.4399 177.2449 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 5 D 8.36 4.52 0.00 2.74 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 6 F 7.96 4.43 0.00 3.08 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 7 E 8.70 3.54 0.00 2.15 1.96 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 2.40 2.37 0.00 8 E 8.19 3.81 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 9 K 8.94 4.41 0.00 1.85 1.67 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.38 7.81 10 M 8.70 4.40 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 11 I 8.63 4.02 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.90 0.00 0.00 12 L 9.14 4.91 0.00 1.67 1.75 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.27 5.35 1.95 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 1.50 0.75 1.09 0.00 0.00 14 R 8.90 4.51 0.00 1.86 2.01 0.00 2.78 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 15 R 8.66 4.17 0.00 1.43 1.73 0.00 2.41 0.00 0.00 2.93 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.00 16 T 8.05 4.38 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 1.30 0.00 0.00 17 A 7.43 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.00 4.62 0.00 1.81 1.93 0.00 2.75 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 19 M 8.40 4.58 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 20 Q 7.73 4.82 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 21 A 7.85 3.88 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 22 G 9.68 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 23 G 6.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.22 4.59 0.00 1.39 1.73 0.00 2.98 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.00 25 R 8.18 4.49 0.00 1.90 1.79 0.00 3.10 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 26 F 9.03 4.87 0.00 2.85 2.94 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 27 R 7.70 5.02 0.00 2.05 1.86 0.00 3.16 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 28 F 8.83 5.19 0.00 2.98 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 29 G 9.05 4.69 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 0.00 0.00 0.00 30 A 9.42 5.46 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 31 L 8.93 5.26 0.00 1.73 1.55 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.06 4.72 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 1.06 0.00 0.00 1.01 0.00 0.00 33 V 8.45 4.98 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 1.00 0.00 0.00 0.95 0.00 0.00 34 V 8.49 4.73 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 0.47 0.00 0.00 1.02 0.00 0.00 35 G 8.78 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.60 5.07 0.00 2.84 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 37 R 8.70 4.13 0.00 2.04 2.16 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 38 Q 8.65 4.47 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 39 G 8.30 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 40 R 7.77 4.99 0.00 2.21 1.89 0.00 3.16 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 41 V 8.67 4.63 2.05 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 0.97 0.00 0.00 0.93 0.00 0.00 42 G 9.40 4.73 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 0.00 0.00 0.00 43 L 8.62 5.32 0.00 1.61 1.53 1.03 1.09 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 44 G 9.38 4.41 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 0.00 45 F 8.91 5.67 0.00 2.94 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 46 G 8.94 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 K 7.94 5.23 0.00 1.49 1.74 0.00 0.62 0.00 0.00 1.00 0.00 0.00 2.66 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.23 7.81 48 A 8.55 4.56 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 49 P 0.00 4.53 0.00 2.09 2.20 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 50 E 7.68 4.26 0.00 1.92 1.61 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 0.00 2.14 2.19 0.00 51 V 7.55 3.34 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.38 0.00 0.00 52 P 0.00 4.17 0.00 2.12 2.06 0.00 3.51 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 2.04 2.13 0.00 53 L 7.98 4.09 0.00 1.81 1.71 0.88 0.97 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 54 A 8.01 3.98 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 55 V 8.21 3.59 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 1.03 0.00 0.00 0.99 0.00 0.00 56 Q 8.62 3.95 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 57 K 8.21 4.01 0.00 2.09 2.40 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.45 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.78 7.81 58 A 8.19 4.24 1.49 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 0.00 0.00 59 G 8.17 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.02 4.29 0.00 2.89 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.51 4.18 0.00 3.24 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 62 A 8.53 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.77 3.58 0.00 1.79 1.98 0.00 3.24 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 64 R 7.47 3.99 0.00 1.49 1.90 0.00 3.12 0.00 0.00 3.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 65 N 8.25 4.71 0.00 2.80 2.82 0.00 0.00 6.94 8.51 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 66 M 8.26 5.57 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 67 V 8.74 4.58 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 0.70 0.00 0.00 0.91 0.00 0.00 68 E 8.68 4.54 0.00 1.98 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 0.00 2.24 2.35 0.00 69 V 10.29 4.00 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 0.96 0.00 0.00 0.93 0.00 0.00 70 P 0.00 4.82 0.00 2.23 2.10 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 71 L 7.55 4.26 0.00 1.67 1.70 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.62 4.57 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 5.89 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 73 N 9.40 4.42 0.00 2.90 3.00 0.00 0.00 7.46 7.65 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 74 G 9.31 4.02 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 0.00 0.00 0.00 75 T 7.63 4.82 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 76 I 8.03 3.94 1.86 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 1.56 0.91 0.96 0.00 0.00 77 P 0.00 4.42 0.00 2.30 2.21 0.00 3.87 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 2.11 2.01 0.00 78 H 7.55 4.70 0.00 3.14 3.29 0.00 5.50 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 79 E 9.08 5.49 0.00 1.84 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 2.23 2.19 0.00 80 I 8.05 4.76 1.86 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 1.27 0.81 0.82 0.00 0.00 81 E 8.77 5.24 0.00 1.84 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 2.19 2.26 0.00 82 V 8.58 4.54 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 1.03 0.00 0.00 0.95 0.00 0.00 83 E 8.86 5.21 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 84 F 9.18 4.71 0.00 2.96 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.58 4.30 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 87 S 7.60 5.16 0.00 3.85 3.80 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 88 K 8.27 5.09 0.00 1.79 1.58 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.57 7.81 89 I 8.76 5.15 1.89 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 1.11 1.32 0.92 0.00 0.00 90 V 8.53 4.90 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 0.93 0.00 0.00 0.93 0.00 0.00 91 L 8.71 5.21 0.00 1.54 1.49 0.91 0.33 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 92 K 9.11 4.98 0.00 1.78 1.65 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 93 P 0.00 4.75 0.00 2.12 2.19 0.00 3.76 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 1.99 1.99 0.00 94 A 8.17 4.85 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 95 A 8.55 4.16 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 96 P 0.00 5.38 0.00 2.05 2.01 0.00 3.70 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 97 G 8.45 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.22 3.95 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 1.21 0.00 0.00 99 G 8.42 4.12 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 0.00 100 V 8.39 5.13 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 0.99 0.00 0.00 0.93 0.00 0.00 101 I 8.42 4.35 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 1.28 1.17 0.91 0.00 0.00 102 A 7.58 4.54 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 0.00 103 G 8.51 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 0.00 104 A 8.50 4.18 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 0.00 105 V 7.76 4.24 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 1.05 0.00 0.00 0.90 0.00 0.00 106 P 0.00 4.41 0.00 2.30 2.28 0.00 3.79 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 2.23 2.13 0.00 107 R 8.13 4.15 0.00 1.92 2.01 0.00 3.22 0.00 0.00 3.34 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 108 A 7.76 3.98 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 0.00 109 I 7.51 3.64 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 1.53 1.07 0.91 0.00 0.00 110 L 7.69 4.21 0.00 1.74 1.70 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.26 3.99 0.00 2.17 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 2.32 2.55 0.00 112 L 7.89 4.25 0.00 1.73 1.74 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.73 4.34 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 0.00 114 G 8.47 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.39 4.52 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 0.87 0.00 0.00 0.97 0.00 0.00 116 T 8.97 4.66 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 1.22 0.00 0.00 117 D 7.76 4.75 0.00 2.54 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.92 4.93 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.10 0.91 0.00 0.00 119 L 9.17 5.00 0.00 1.57 1.54 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.36 5.72 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 0.00 121 K 8.28 4.48 0.00 1.84 1.63 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.52 7.81 122 E 8.87 4.76 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 123 L 8.88 4.72 0.00 1.44 1.57 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.75 3.67 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 0.00 125 S 8.80 4.29 0.00 3.76 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 0.00 126 R 8.11 4.55 0.00 1.77 1.84 0.00 3.60 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 127 N 8.16 4.28 0.00 2.75 2.67 0.00 0.00 7.20 7.15 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 0.00 128 P 0.00 3.99 0.00 2.08 1.97 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 129 I 7.47 3.17 1.72 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.08 0.31 0.00 0.00 130 N 7.95 4.57 0.00 2.75 3.18 0.00 0.00 7.04 7.47 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 0.00 131 I 7.70 3.75 1.99 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 1.59 0.84 0.89 0.00 0.00 132 A 8.16 4.03 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 0.00 133 Y 7.78 4.24 0.00 2.18 1.65 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 0.00 134 A 7.97 4.12 1.49 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 0.00 0.00 135 T 8.30 3.98 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 1.20 0.00 0.00 136 M 8.07 3.96 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 137 E 7.72 3.48 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 138 A 8.60 4.09 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 0.00 139 L 7.86 3.89 0.00 1.82 1.73 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.54 4.07 0.00 1.73 2.14 0.00 3.42 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 141 Q 7.99 4.58 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 142 L 8.21 4.46 0.00 1.70 1.65 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.58 4.65 0.00 1.73 1.80 0.00 3.36 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 144 T 8.42 4.46 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 1.22 0.00 0.00 145 K 8.66 3.84 0.00 1.83 1.87 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.66 1.52 7.81 146 A 8.18 4.85 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 0.00 147 D 7.86 4.37 0.00 2.76 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 0.00 148 V 8.06 3.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 149 E 8.72 4.19 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.33 0.00 150 R 7.83 4.15 0.00 1.95 2.14 0.00 3.24 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 151 L 7.96 4.58 0.00 1.73 1.66 0.92 0.79 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 0.00 152 R 7.61 4.81 0.00 1.77 1.84 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 153 K 8.15 4.45 0.00 1.74 0.97 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.47 7.81 154 G 8.79 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 0.00 0.00 0.00 *155 E 7.99 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.