NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1749 8.0932 114.8122 57.7612 64.5478 174.2656 2 L 4.0715 8.3053 121.2885 57.5837 40.9677 178.7652 3 L 4.0196 8.3324 120.3477 57.8441 41.5489 179.0390 4 E 4.0652 8.0251 117.9135 59.4367 29.5041 178.9371 5 F 4.7203 8.3965 120.6976 61.5686 39.5362 177.4512 6 G 3.5408 8.4769 105.3177 47.3543 0.0000 175.7173 7 K 4.0297 7.9069 121.8842 59.4644 32.2641 178.5888 8 M 4.1219 8.4513 118.8318 58.7529 32.1626 178.3218 9 I 3.6128 7.7117 119.8826 64.1441 37.2104 178.1183 10 L 4.3006 7.6823 122.2964 57.7249 41.7127 178.8503 11 E 3.9910 8.0135 117.1053 59.4667 29.4804 179.1000 12 E 4.1098 8.0165 117.5244 59.5042 29.7937 178.8565 13 T 4.3097 8.4194 108.0291 61.7011 70.0487 175.9658 14 G 3.8124 8.0845 110.1237 45.3793 0.0000 173.1266 *16 K 4.6234 7.4595 117.4854 56.1690 32.9609 174.7573 17 L 4.3462 7.9914 120.5367 53.7877 42.9084 177.4944 18 A 4.0721 8.8030 126.5863 55.1032 18.3672 177.1527 19 I 4.6420 7.5910 114.6403 59.3126 38.7591 173.9593 20 P 5.2881 0.0000 0.0000 62.0219 31.8739 176.6371 21 S 4.1736 7.7660 115.9245 61.6052 62.6425 174.7921 22 Y 4.7660 8.4462 114.7471 57.5886 38.7482 176.6564 23 S 4.5334 8.1536 117.1107 60.3792 64.4329 174.5976 24 S 4.7645 7.8403 115.3194 57.4128 62.9543 172.5211 25 Y 4.9719 8.2812 121.2692 57.5579 41.3631 175.9184 26 G 3.5796 7.6618 115.0796 46.8110 0.0000 172.8524 27 C 4.6138 8.9822 114.1977 57.5648 36.7838 174.3153 28 Y 4.4745 8.6125 115.3466 57.6267 39.0243 174.4539 29 C 5.1101 8.1860 119.1367 59.3527 41.3983 173.7057 30 G 4.7468 8.6319 114.2458 45.2962 0.0000 175.2763 31 G 3.9948 9.0951 110.3783 44.7452 0.0000 173.0512 32 C 4.4957 7.3358 112.1886 55.4019 42.6279 172.8808 33 G 4.3199 7.8198 112.0743 46.0522 0.0000 173.4453 34 S 4.7225 6.8266 112.2571 56.2389 65.9598 172.3571 35 G 3.8225 8.8690 105.9348 44.8026 0.0000 172.2649 36 T 4.4426 7.9334 114.8165 60.8156 69.7882 173.4164 37 P 4.5574 0.0000 0.0000 63.1138 31.9017 176.6920 38 K 3.9075 9.3893 123.3904 58.9953 32.2508 176.2844 39 D 4.4852 7.3098 115.4643 51.0820 42.2082 174.9610 40 A 3.9831 8.8884 119.7928 56.2342 18.0005 179.8238 41 T 3.9903 7.9885 113.4543 67.0180 68.4997 176.1944 42 D 4.5471 8.4016 119.8983 57.3381 41.1419 178.5233 43 R 4.0028 8.3580 119.1672 59.1265 29.9835 178.2105 44 C 4.1715 8.3066 116.5989 60.3617 38.4453 175.6131 45 C 4.3350 8.1604 117.9494 59.6693 40.2545 175.7835 46 F 3.9137 8.3075 122.4248 61.4314 38.8819 177.4739 47 V 3.1898 8.0190 117.9628 65.8453 31.2110 177.5244 48 H 3.7790 7.8957 118.1092 59.3163 29.8633 176.5251 49 C 4.0652 8.6444 118.8042 60.3587 39.8175 175.6373 50 C 3.9606 7.6259 117.0192 59.8434 35.7166 175.0611 51 C 4.2203 7.9564 120.4726 59.8161 43.5317 175.2596 52 Y 4.2354 7.8475 118.4725 60.7598 37.1846 178.3563 53 G 3.7171 7.7322 105.4298 47.0320 0.0000 174.4963 54 N 4.7501 7.6272 116.7009 53.0830 40.2034 175.3457 55 L 4.7825 7.3820 119.9639 52.1613 42.0116 174.2742 56 P 4.2085 0.0000 0.0000 65.6562 32.2813 178.5229 *59 D 4.7945 7.8461 114.7331 54.3543 42.5729 175.4272 *61 C 5.3127 7.5880 116.4958 57.2848 41.2314 172.8783 *67 N 4.8277 7.9464 115.7838 52.5528 38.5136 173.3216 68 P 3.9606 0.0000 0.0000 65.2611 32.1010 179.1873 69 K 4.1003 8.0314 117.2511 58.4670 32.1718 178.4522 70 S 4.5961 7.8050 110.5865 58.1196 64.8147 173.6140 71 D 4.4920 8.2275 122.0563 53.7930 41.4116 175.4494 72 R 4.6446 8.6621 125.1461 54.2825 31.5875 175.0343 73 Y 4.9957 7.5550 118.2759 55.1551 41.6341 174.3111 74 K 4.9483 8.5556 118.9807 55.1207 35.2920 174.9041 75 Y 5.4818 8.1546 119.7117 55.7926 41.1877 173.4472 76 K 4.7059 9.5840 119.7251 55.3075 36.9530 174.6665 77 R 5.0539 8.5605 118.8745 54.6676 31.9797 176.8355 78 V 4.0507 8.9346 125.4473 61.7343 31.8871 174.2897 79 N 4.0668 9.2422 126.2563 53.7404 35.4875 175.5640 80 G 4.0746 8.1518 106.2019 45.6863 0.0000 172.7165 81 A 4.2040 7.5247 122.9104 51.8065 19.0807 176.1950 82 I 4.6669 8.2049 123.6037 60.7195 38.4733 175.5664 83 V 4.3996 9.0798 127.0400 61.1530 34.3454 173.6934 84 C 4.9748 8.9052 126.1049 56.8345 40.6823 173.4891 85 E 4.5428 8.7197 123.7271 54.9188 30.8316 176.6534 86 K 3.7675 8.6801 123.1785 57.0923 33.4347 175.5768 *88 G 4.2731 8.2870 113.9357 45.6263 0.0000 172.5154 89 T 4.3458 8.5838 114.8970 60.7104 71.5214 176.1340 90 S 4.0879 8.4112 116.5202 61.9300 62.7034 177.6194 91 C 4.2634 8.1068 118.6048 60.1278 39.6386 175.8833 92 E 3.9495 8.0357 119.5923 59.3932 29.0231 179.2278 93 N 4.2451 8.4494 116.7924 56.5519 38.7702 177.8364 94 R 3.9282 8.0459 119.2781 58.9959 30.0386 179.3305 95 I 3.7008 7.9665 120.2610 64.3754 37.1031 177.5038 96 C 3.1805 7.5926 119.2542 59.3532 37.6016 175.4486 97 E 3.8091 7.9402 120.1060 59.5014 28.8847 178.8164 98 C 4.1721 7.9102 116.0155 60.0320 40.6292 175.8862 99 D 3.9847 8.0549 120.4814 57.1172 40.5402 178.5183 100 K 3.7537 8.3443 120.3386 59.4881 32.0825 178.5722 101 A 3.8353 7.7098 120.1975 55.0642 18.2967 179.2868 102 A 3.4043 7.5496 118.7733 55.1441 18.3881 179.5917 103 A 3.8928 7.9290 119.0293 55.5073 18.4535 180.0151 104 I 3.6571 7.5484 117.9041 64.4443 36.9246 177.7932 105 C 4.1678 8.1692 118.7040 59.7551 39.0756 175.3245 106 F 4.5934 8.3493 119.6861 60.7648 38.2390 177.6903 107 R 3.9627 8.0102 117.3001 59.3106 29.9501 177.9533 108 Q 4.2407 8.0875 118.1474 57.5487 28.8604 175.8030 109 N 5.1569 7.7480 117.7010 53.0188 39.9178 176.7497 110 L 4.1877 8.2550 121.4850 57.7313 42.0409 179.2570 111 N 4.3841 8.3735 115.3506 55.3808 37.1134 175.5549 112 T 4.5458 7.4525 105.7255 61.0615 69.1236 173.5584 113 Y 4.1403 7.9025 124.1036 57.9228 39.3540 174.9730 114 S 4.8391 8.6538 121.4429 56.1139 64.9215 174.9568 115 K 4.1281 8.8247 126.8809 58.9554 32.0750 178.7911 116 K 3.7717 7.3665 118.9121 58.6680 32.1853 176.6329 117 Y 4.4032 7.3466 114.8288 57.8212 38.4510 175.5523 118 M 4.4048 7.6092 120.5063 56.3417 32.5259 175.8245 119 L 3.7027 8.5224 120.5024 55.4940 40.1302 174.6709 120 Y 4.1298 8.1630 118.5298 56.8481 39.0453 173.8379 121 P 4.3742 0.0000 0.0000 62.5417 32.3898 176.4963 122 D 4.1919 8.8237 121.2071 57.3724 41.2950 178.2023 *124 F 4.7187 7.7904 111.1031 56.5202 39.5968 175.2287 125 L 3.8158 6.6904 119.0092 54.6124 41.1836 175.6393 126 C 4.7343 7.9528 117.8168 55.2187 39.4770 175.4178 127 K 4.1808 8.6363 129.7802 56.9732 30.2400 177.7791 128 G 4.2863 7.0868 108.7504 45.7722 0.0000 172.2164 129 E 4.5535 8.2914 122.0706 56.8542 31.7273 174.6200 130 L 4.3406 7.8803 118.1505 53.0618 42.3006 176.2096 131 K 4.1358 8.3992 125.6924 56.1694 33.1154 177.4106 *133 C 4.8361 8.5741 121.1938 57.4693 41.5291 173.6481 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 1 S 8.09 5.17 0.00 4.15 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 2 L 8.31 4.07 0.00 1.79 1.92 1.02 0.69 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 3 L 8.33 4.02 0.00 1.73 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.03 4.07 0.00 1.80 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 0.00 1.82 2.29 0.00 5 F 8.40 4.72 0.00 3.39 3.20 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 6 G 8.48 3.54 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 0.00 0.00 0.00 7 K 7.91 4.03 0.00 1.99 2.14 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.49 7.81 8 M 8.45 4.12 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 9 I 7.71 3.61 1.81 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.03 0.72 0.00 0.00 10 L 7.68 4.30 0.00 1.89 1.83 0.92 0.81 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 11 E 8.01 3.99 0.00 2.20 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 2.40 2.68 0.00 12 E 8.02 4.11 0.00 2.10 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 2.48 2.45 0.00 13 T 8.42 4.31 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 1.26 0.00 0.00 14 G 8.08 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 *16 K 7.46 4.62 0.00 1.83 1.57 0.00 1.46 0.00 0.00 0.93 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.25 7.81 17 L 7.99 4.35 0.00 1.74 1.66 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.80 4.07 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 19 I 7.59 4.64 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 1.53 0.71 0.94 0.00 0.00 20 P 0.00 5.29 0.00 2.19 2.16 0.00 3.36 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.77 4.17 0.00 3.88 3.27 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 22 Y 8.45 4.77 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.15 4.53 0.00 4.09 4.20 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 24 S 7.84 4.76 0.00 4.03 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 25 Y 8.28 4.97 0.00 3.13 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 26 G 7.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.98 4.61 0.00 2.96 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 28 Y 8.61 4.47 0.00 3.38 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 29 C 8.19 5.11 0.00 3.52 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.63 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.10 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 32 C 7.34 4.50 0.00 3.39 3.59 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 33 G 7.82 4.32 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 0.00 34 S 6.83 4.72 0.00 3.98 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 35 G 8.87 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 36 T 7.93 4.44 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 1.15 0.00 0.00 37 P 0.00 4.56 0.00 1.89 1.95 0.00 3.42 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 38 K 9.39 3.91 0.00 0.79 0.95 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 0.52 7.81 39 D 7.31 4.49 0.00 2.75 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 40 A 8.89 3.98 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 41 T 7.99 3.99 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 1.09 0.00 0.00 42 D 8.40 4.55 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 43 R 8.36 4.00 0.00 2.08 1.97 0.00 3.16 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 44 C 8.31 4.17 0.00 3.37 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 45 C 8.16 4.34 0.00 3.32 3.53 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 46 F 8.31 3.91 0.00 2.58 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 47 V 8.02 3.19 1.97 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 0.87 0.00 0.00 0.95 0.00 0.00 48 H 7.90 3.78 0.00 3.14 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.64 4.07 0.00 3.13 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 50 C 7.63 3.96 0.00 2.74 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 51 C 7.96 4.22 0.00 2.93 2.88 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 0.00 0.00 0.00 52 Y 7.85 4.24 0.00 3.05 2.81 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 53 G 7.73 3.72 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 0.00 0.00 0.00 54 N 7.63 4.75 0.00 2.76 2.83 0.00 0.00 6.76 7.71 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 55 L 7.38 4.78 0.00 1.54 1.52 0.89 0.75 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 56 P 0.00 4.21 0.00 2.17 2.09 0.00 3.60 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 2.10 2.10 0.00 *59 D 7.85 4.79 0.00 2.74 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 *61 C 7.59 5.31 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 N 7.95 4.83 0.00 2.74 2.77 0.00 0.00 7.60 8.03 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 68 P 0.00 3.96 0.00 1.17 0.49 0.00 3.33 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 69 K 8.03 4.10 0.00 1.81 1.89 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.44 7.81 70 S 7.81 4.60 0.00 3.94 3.95 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 71 D 8.23 4.49 0.00 2.75 2.64 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 0.00 0.00 0.00 0.00 72 R 8.66 4.64 0.00 1.82 1.76 0.00 3.22 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 73 Y 7.56 5.00 0.00 3.03 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 74 K 8.56 4.95 0.00 1.75 1.74 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.37 7.81 75 Y 8.15 5.48 0.00 3.14 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 76 K 9.58 4.71 0.00 1.77 1.92 0.00 1.29 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.44 7.81 77 R 8.56 5.05 0.00 1.73 1.93 0.00 3.41 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 78 V 8.93 4.05 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 0.81 0.00 0.00 0.96 0.00 0.00 79 N 9.24 4.07 0.00 3.03 2.83 0.00 0.00 6.99 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 80 G 8.15 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 81 A 7.52 4.20 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 82 I 8.20 4.67 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.77 0.00 0.00 83 V 9.08 4.40 2.15 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 1.00 0.00 0.00 0.97 0.00 0.00 84 C 8.91 4.97 0.00 2.87 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 85 E 8.72 4.54 0.00 1.96 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 2.38 2.34 0.00 86 K 8.68 3.77 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.46 7.81 *88 G 8.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.58 4.35 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 1.26 0.00 0.00 90 S 8.41 4.09 0.00 3.87 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 91 C 8.11 4.26 0.00 2.95 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 92 E 8.04 3.95 0.00 2.29 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 0.00 2.61 2.59 0.00 93 N 8.45 4.25 0.00 2.80 2.82 0.00 0.00 7.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.05 3.93 0.00 1.81 1.92 0.00 3.09 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 95 I 7.97 3.70 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.99 0.00 0.00 96 C 7.59 3.18 0.00 1.84 2.82 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 97 E 7.94 3.81 0.00 2.10 1.89 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 2.44 2.43 0.00 98 C 7.91 4.17 0.00 3.18 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 99 D 8.05 3.98 0.00 2.81 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.34 3.75 0.00 1.71 1.93 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 A 7.71 3.84 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 0.00 102 A 7.55 3.40 1.02 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 0.00 103 A 7.93 3.89 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 0.00 104 I 7.55 3.66 1.93 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 1.38 0.80 0.87 0.00 0.00 105 C 8.17 4.17 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.35 4.59 0.00 3.05 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 0.00 107 R 8.01 3.96 0.00 1.83 2.15 0.00 3.34 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 108 Q 8.09 4.24 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.17 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 109 N 7.75 5.16 0.00 2.81 2.83 0.00 0.00 6.84 6.64 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 0.00 110 L 8.25 4.19 0.00 1.76 1.75 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.37 4.38 0.00 2.85 3.00 0.00 0.00 5.87 7.71 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 0.00 112 T 7.45 4.55 4.32 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 1.26 0.00 0.00 113 Y 7.90 4.14 0.00 3.03 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 0.00 114 S 8.65 4.84 0.00 3.98 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.82 4.13 0.00 1.89 1.89 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.65 7.81 116 K 7.37 3.77 0.00 1.48 1.37 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.58 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.54 1.10 7.81 117 Y 7.35 4.40 0.00 1.79 1.66 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 0.00 118 M 7.61 4.40 0.00 2.07 2.16 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 2.80 2.67 0.00 119 L 8.52 3.70 0.00 1.79 1.75 0.94 0.73 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 0.00 120 Y 8.16 4.13 0.00 3.03 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 0.00 121 P 0.00 4.37 0.00 2.43 2.19 0.00 2.70 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.69 0.00 122 D 8.82 4.19 0.00 2.73 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 *124 F 7.79 4.72 0.00 3.24 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 0.00 125 L 6.69 3.82 0.00 1.11 1.48 0.36 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.95 4.73 0.00 2.98 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 0.00 127 K 8.64 4.18 0.00 1.82 1.78 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.42 7.81 128 G 7.09 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 0.00 0.00 0.00 0.00 129 E 8.29 4.55 0.00 1.91 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 0.00 2.22 2.32 0.00 130 L 7.88 4.34 0.00 1.12 1.02 0.29 0.78 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 0.00 131 K 8.40 4.14 0.00 1.83 1.71 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.50 7.81 *133 C 8.57 4.84 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.