NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6211 8.1627 120.6113 55.7191 34.3176 173.5555 2 H 5.2925 8.6846 124.4396 52.9100 33.1457 170.6119 3 L 5.0380 9.9033 126.7405 52.8759 45.1869 174.8789 4 K 4.9120 8.7549 122.8261 54.7747 34.4140 175.2654 5 I 4.9087 8.3372 125.2647 59.4070 40.5560 174.5417 6 V 4.4787 8.4983 127.2949 60.8342 33.1472 174.2762 7 C 4.8720 8.6048 125.7632 58.8279 29.1650 173.3125 8 L 4.6362 8.5155 123.1358 54.3008 41.9117 176.7216 9 S 4.6127 7.5757 111.2690 56.4106 65.3339 176.6750 10 D 4.4368 8.7316 125.0484 58.1745 40.0621 179.2642 *11 E 3.9737 8.3353 118.4307 61.6154 29.4465 181.4790 12 V 3.9817 7.7346 118.8809 65.6822 31.5281 178.1160 13 R 4.0970 8.2219 118.5087 59.1916 29.5979 178.3701 14 E 4.0620 8.2360 118.7018 59.2963 29.3189 178.7827 15 M 4.0114 7.6753 115.0953 57.7600 31.4678 177.7408 16 Y 4.4792 8.0785 120.9332 61.1763 38.1443 178.1855 17 K 4.1492 8.5392 126.5197 59.7777 32.3750 180.1601 18 N 5.0867 7.6942 116.4141 51.8799 37.6203 178.4836 19 H 4.5015 8.1573 123.8634 56.6296 28.3363 175.3277 *20 K 3.7845 8.4372 128.6563 57.8370 31.9129 177.0836 *21 T 4.5310 7.5795 118.2217 59.0589 67.7630 175.6172 *22 H 4.6673 7.9883 123.1035 53.9721 32.2674 174.5864 *23 H 4.5995 8.7204 118.8522 54.3686 29.7500 172.9858 *26 D 4.5058 8.0757 118.9038 53.0262 41.0441 176.2098 27 S 4.6110 8.7409 117.9059 58.5443 63.5774 174.1190 28 G 4.0958 7.6462 107.8072 44.2884 0.0000 172.0698 29 L 4.6391 8.5748 125.5941 52.7047 43.9392 175.3719 30 D 4.8115 8.6668 126.9479 54.7281 41.2780 176.0240 31 L 4.5723 8.3919 123.1329 53.1423 43.8265 176.0120 32 F 5.2252 8.1143 120.9815 56.4143 40.5004 176.0354 33 I 4.0519 8.8057 124.3850 61.6890 37.5380 176.7203 34 V 4.6572 8.8083 126.5995 63.3078 33.9123 176.1425 35 K 4.7259 7.9152 122.3387 53.3358 35.2740 181.1518 36 D 4.7239 8.8272 124.6810 54.7082 41.7107 175.7104 37 E 4.7260 8.9350 119.4470 55.4628 33.7723 173.9440 38 V 4.5320 8.4221 125.0756 61.0935 33.8187 174.5616 39 L 4.8227 8.5584 127.9516 52.6785 43.6354 176.3043 40 K 4.5835 8.6743 123.8721 55.4808 33.7657 175.1035 41 P 4.1980 0.0000 0.0000 63.5387 31.6135 175.9712 42 K 3.8662 8.0411 119.6422 56.3920 30.2440 173.7423 43 S 4.5787 7.4741 111.2331 58.1331 67.1761 175.9175 44 T 4.9167 8.4675 115.1426 60.5710 69.4645 173.1905 45 T 4.4643 8.7608 124.6026 61.9044 71.8982 173.5150 46 F 4.8460 8.6889 124.7659 55.9588 39.0072 174.0776 47 V 3.9152 8.6154 123.7198 62.2895 32.7393 174.5710 48 K 4.6555 8.7575 127.8621 55.6393 32.7642 176.4457 49 L 4.4434 8.6186 124.4448 53.4564 42.7193 176.9781 50 G 4.0063 9.3994 107.6716 46.0759 0.0000 173.4371 51 I 5.0540 7.4821 118.1605 59.7018 41.7779 174.1411 52 K 5.0930 8.5284 125.0618 55.0588 35.4239 175.4572 53 A 5.3516 8.4109 120.5121 52.2416 21.7143 176.2578 54 I 4.3395 8.3522 116.5853 60.4067 40.1398 174.5038 55 A 4.9749 8.5150 124.5858 50.1574 21.8137 175.2165 56 L 5.5816 8.7843 121.5309 52.5459 45.6116 175.6683 57 Q 4.7910 8.1120 117.9721 54.8268 33.4352 173.2511 58 Y 4.8661 8.5663 122.4902 58.4257 38.6167 176.8146 *59 K 3.9852 9.4248 128.5166 56.0226 32.2309 173.8923 60 S 4.8061 8.7108 117.8691 55.5504 65.4576 172.8351 61 N 4.6091 8.6383 123.4452 52.5546 39.3188 174.3276 62 Y 4.9800 7.3997 119.6330 54.9170 41.3137 174.2070 63 Y 4.4865 8.8036 122.8754 57.9628 39.4449 174.9773 64 Y 4.1203 7.9535 127.2828 57.0937 40.3598 174.8439 65 K 4.0595 7.6412 134.7921 56.5782 31.5973 178.8676 *78 K 4.3424 7.7514 119.0426 54.3929 34.3178 177.4925 79 S 4.7127 7.4896 110.4687 58.0301 66.8609 173.6292 80 N 4.6660 8.6955 119.5400 55.6558 39.9377 174.3108 81 I 5.0757 7.6435 118.3594 59.9862 41.0108 174.5398 82 V 4.4468 9.2743 128.2385 60.4426 34.4221 174.1564 83 N 4.7694 8.9435 126.0410 54.7482 39.0738 173.5326 84 T 4.8435 8.6854 120.2040 60.0527 70.9294 173.4678 85 S 4.9049 8.6273 120.5803 58.8427 64.7119 173.1140 86 F 5.0811 8.6778 116.3467 56.1714 41.9398 172.6183 87 L 5.2082 8.9508 117.7234 52.7993 45.7428 176.0508 88 L 5.0620 8.8424 122.3541 53.7561 44.7755 175.2369 89 F 4.8780 9.3792 126.0130 55.1306 41.4570 174.0493 90 P 4.8279 0.0000 0.0000 62.6859 31.9742 176.7332 91 R 4.4621 8.8727 122.9572 55.5394 31.0552 178.1245 92 S 4.1487 9.0222 117.7032 62.0170 62.6791 177.3682 93 S 4.0570 8.0291 117.5122 61.7993 62.6717 176.5785 94 I 3.7000 7.8740 120.9956 63.9561 37.3450 177.9635 95 S 4.1246 7.8072 115.6057 61.5541 62.7051 175.9468 96 K 4.0618 7.7689 119.8500 59.0179 32.0253 177.4549 97 T 4.3710 7.3379 115.0525 62.0555 69.7972 172.6039 98 P 4.6244 0.0000 0.0000 62.9331 32.6856 175.1443 99 L 4.7464 7.2755 121.1160 54.9339 42.3666 176.5289 100 R 4.6341 8.7403 121.6195 54.0075 35.1368 174.2279 101 L 4.4592 8.3996 124.6716 54.8409 42.5009 177.6841 102 A 4.0034 8.8559 130.5932 54.4146 18.5557 177.5629 103 N 4.6670 7.9925 111.2089 52.3469 36.9662 174.2508 104 S 3.8926 7.2299 115.0688 58.6062 62.2513 170.5892 105 I 4.4115 7.0645 120.9286 59.1715 40.5276 175.2385 106 G 3.6334 9.0545 114.9657 45.9887 0.0000 172.0303 107 L 4.8992 8.3809 126.8390 53.3178 44.1291 175.5141 108 I 4.0430 7.9109 128.3549 59.2193 38.7627 175.6026 109 D 4.7745 8.7001 126.5546 53.2903 41.5465 177.4829 110 A 4.2151 8.8682 125.1063 55.6653 18.2801 179.1662 111 G 3.8728 8.0052 100.8912 46.1158 0.0000 173.1059 112 Y 4.2861 8.0877 123.0757 57.8751 39.1770 176.0632 113 R 4.4719 7.7897 123.8181 55.5838 31.7185 175.5444 114 G 3.8104 5.3800 107.2783 43.1648 0.0000 173.3223 115 E 4.3236 8.3378 119.7285 55.9595 30.4642 175.9841 116 I 4.3054 9.0816 126.5604 61.2437 38.3523 175.0124 117 I 5.0683 8.4813 126.6110 59.4305 40.7558 174.7763 118 A 4.5501 8.7117 127.8137 50.4311 20.7759 176.3334 119 A 4.4947 8.6352 125.5760 51.6668 19.3396 175.2339 120 L 4.6539 8.8544 122.0938 53.8325 44.0797 175.5831 121 D 4.6964 8.8857 125.5192 53.1732 42.4157 175.0013 122 N 4.9062 8.8587 127.2780 52.9876 39.0238 175.5284 123 T 4.2359 8.5635 118.2403 63.7510 69.9489 175.3201 124 S 4.5644 8.2359 117.7217 57.7335 64.7637 174.4355 125 D 4.6678 8.6167 117.6292 53.4840 39.5574 175.8761 126 Q 4.8123 7.7562 118.4443 53.8139 31.5375 175.0920 127 E 4.2196 8.7571 120.1580 57.1227 30.5791 176.1693 128 Y 4.6521 8.8260 123.1695 56.1717 42.4578 173.4378 129 H 5.3924 8.1576 123.4264 54.2011 30.5809 174.2754 130 I 4.7618 8.6016 117.0587 59.4559 40.5321 174.7392 131 K 5.1069 8.5792 121.4100 54.0383 36.4063 176.0502 132 K 4.0667 8.6124 124.3471 58.5056 32.4087 177.0529 133 N 4.2166 9.2388 121.7597 53.1222 37.6379 174.3944 134 D 4.5737 8.0234 118.9085 55.0186 42.4112 175.9260 135 K 5.1552 8.5001 120.7502 55.0886 32.5366 175.1355 136 L 4.7011 8.4441 123.4729 54.3172 44.0547 175.6005 137 V 5.0991 7.5443 118.0037 61.7479 35.0970 173.0980 138 Q 5.0477 8.9322 121.1002 55.1003 32.3540 172.9983 139 L 5.1041 8.7955 121.5540 53.8232 43.7643 176.1836 140 V 4.8193 8.6542 115.5667 59.6789 36.4355 174.6040 141 S 5.0369 8.3461 116.6822 56.9597 63.8729 175.1311 142 F 4.1425 9.2055 123.5035 60.4304 38.8860 176.7919 143 T 4.1105 8.0471 109.7760 61.9878 69.0584 175.6935 144 G 3.8164 8.1356 111.8704 46.8602 0.0000 174.2356 145 E 4.3645 7.7609 114.4395 53.9001 30.6075 178.4348 146 P 4.8489 0.0000 0.0000 62.9353 31.9997 175.8366 147 L 5.1305 8.2756 120.7070 53.0678 43.9707 175.9363 148 S 5.1012 9.0588 117.5444 56.6148 66.4893 172.8122 149 F 5.6097 8.3219 114.7848 55.4266 41.0006 173.2374 150 E 4.7249 9.0990 118.3873 54.5506 32.9314 174.5239 151 L 5.1370 8.4468 121.1465 53.9434 43.0892 176.4481 152 V 4.5430 8.2698 121.9734 60.4795 34.6141 175.8473 153 E 4.2778 9.0789 123.6286 58.5284 30.2058 176.8956 *154 E 4.6049 7.6966 114.4701 54.6294 33.9786 179.8107 *155 L 4.2136 8.3750 117.3064 55.3109 41.6744 177.8891 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 M 8.16 4.62 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 2 H 8.68 5.29 0.00 3.16 3.00 0.00 5.83 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.90 5.04 0.00 1.59 1.40 0.71 -0.14 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 4 K 8.75 4.91 0.00 1.61 1.66 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.22 7.81 5 I 8.34 4.91 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.76 0.59 0.00 0.00 6 V 8.50 4.48 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 1.13 0.00 0.00 0.91 0.00 0.00 7 C 8.60 4.87 0.00 2.93 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 8 L 8.52 4.64 0.00 1.57 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.58 4.61 0.00 3.96 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 10 D 8.73 4.44 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 *11 E 8.34 3.97 0.00 1.97 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 2.33 1.97 0.00 12 V 7.73 3.98 2.31 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 1.19 0.00 0.00 1.03 0.00 0.00 13 R 8.22 4.10 0.00 2.10 2.08 0.00 3.26 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 14 E 8.24 4.06 0.00 2.26 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 2.54 2.47 0.00 15 M 7.68 4.01 0.00 1.92 1.54 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 2.34 2.68 0.00 16 Y 8.08 4.48 0.00 3.23 3.26 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 17 K 8.54 4.15 0.00 1.84 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.40 1.34 7.81 18 N 7.69 5.09 0.00 2.72 2.69 0.00 0.00 7.04 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 19 H 8.16 4.50 0.00 3.58 3.56 0.00 5.77 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 K 8.44 3.78 0.00 1.81 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.03 7.81 *21 T 7.58 4.53 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 *22 H 7.99 4.67 0.00 2.88 2.80 0.00 7.20 0.00 0.00 0.00 0.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 H 8.72 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 D 8.08 4.51 0.00 2.62 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 27 S 8.74 4.61 0.00 3.95 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 28 G 7.65 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.57 4.64 0.00 1.66 1.42 0.67 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.67 4.81 0.00 2.48 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 31 L 8.39 4.57 0.00 1.48 1.60 0.88 0.74 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 32 F 8.11 5.23 0.00 2.93 2.79 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 33 I 8.81 4.05 2.09 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 1.33 0.95 0.98 0.00 0.00 34 V 8.81 4.66 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 0.84 0.00 0.00 1.17 0.00 0.00 35 K 7.92 4.73 0.00 1.51 1.49 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.03 7.81 36 D 8.83 4.72 0.00 2.54 2.67 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 37 E 8.93 4.73 0.00 2.03 1.75 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 2.19 2.23 0.00 38 V 8.42 4.53 2.03 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 0.74 0.00 0.00 0.84 0.00 0.00 39 L 8.56 4.82 0.00 1.69 1.56 0.94 0.34 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 40 K 8.67 4.58 0.00 1.76 1.81 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.44 7.81 41 P 0.00 4.20 0.00 2.10 2.21 0.00 3.91 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 2.00 2.03 0.00 42 K 8.04 3.87 0.00 2.13 1.83 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.23 7.81 43 S 7.47 4.58 0.00 3.79 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 44 T 8.47 4.92 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 1.13 0.00 0.00 45 T 8.76 4.46 4.17 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 1.25 0.00 0.00 46 F 8.69 4.85 0.00 2.95 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 47 V 8.62 3.92 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 0.99 0.00 0.00 0.94 0.00 0.00 48 K 8.76 4.66 0.00 1.74 2.05 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.70 7.81 49 L 8.62 4.44 0.00 1.72 1.79 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.40 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 51 I 7.48 5.05 2.03 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.82 0.00 0.00 52 K 8.53 5.09 0.00 1.67 1.64 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.33 7.81 53 A 8.41 5.35 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 54 I 8.35 4.34 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.94 0.00 0.00 55 A 8.52 4.97 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 56 L 8.78 5.58 0.00 1.52 1.46 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.11 4.79 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 58 Y 8.57 4.87 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 K 9.42 3.99 0.00 1.49 1.63 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.29 7.81 60 S 8.71 4.81 0.00 3.89 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 61 N 8.64 4.61 0.00 2.73 2.70 0.00 0.00 6.72 7.46 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 62 Y 7.40 4.98 0.00 3.04 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 63 Y 8.80 4.49 0.00 2.93 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 64 Y 7.95 4.12 0.00 3.20 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 65 K 7.64 4.06 0.00 1.43 1.57 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.36 7.81 *78 K 7.75 4.34 0.00 1.80 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 79 S 7.49 4.71 0.00 3.98 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 80 N 8.70 4.67 0.00 2.90 2.89 0.00 0.00 6.61 7.82 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 81 I 7.64 5.08 1.91 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 1.29 0.96 0.91 0.00 0.00 82 V 9.27 4.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.99 0.00 0.00 83 N 8.94 4.77 0.00 2.78 2.77 0.00 0.00 6.78 7.70 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 84 T 8.69 4.84 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 1.37 0.00 0.00 85 S 8.63 4.90 0.00 3.96 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 86 F 8.68 5.08 0.00 3.26 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 87 L 8.95 5.21 0.00 1.77 1.64 0.45 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.84 5.06 0.00 1.67 1.46 0.96 1.35 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 89 F 9.38 4.88 0.00 2.96 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 90 P 0.00 4.83 0.00 1.94 1.96 0.00 3.64 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 91 R 8.87 4.46 0.00 1.76 1.86 0.00 3.32 0.00 0.00 3.40 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 92 S 9.02 4.15 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 93 S 8.03 4.06 0.00 3.88 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 94 I 7.87 3.70 1.95 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 1.71 1.29 0.92 0.00 0.00 95 S 7.81 4.12 0.00 4.00 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 96 K 7.77 4.06 0.00 1.87 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.43 7.81 97 T 7.34 4.37 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 1.02 0.00 0.00 98 P 0.00 4.62 0.00 2.01 2.22 0.00 2.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.03 0.00 99 L 7.28 4.75 0.00 1.37 1.49 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.74 4.63 0.00 1.60 1.68 0.00 3.24 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 101 L 8.40 4.46 0.00 1.70 1.56 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.86 4.00 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 0.00 103 N 7.99 4.67 0.00 2.78 2.88 0.00 0.00 6.09 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 0.00 104 S 7.23 3.89 0.00 4.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.06 4.41 1.59 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.31 0.00 0.00 106 G 9.05 3.63 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 0.00 0.00 0.00 107 L 8.38 4.90 0.00 1.57 1.49 0.97 1.14 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 0.00 108 I 7.91 4.04 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.17 0.59 0.00 0.00 109 D 8.70 4.77 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.22 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 0.00 111 G 8.01 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 0.00 112 Y 8.09 4.29 0.00 3.01 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 0.00 113 R 7.79 4.47 0.00 1.61 1.71 0.00 3.37 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 114 G 5.38 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 0.00 115 E 8.34 4.32 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 116 I 9.08 4.31 1.96 0.00 0.00 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 1.51 1.27 1.01 0.00 0.00 117 I 8.48 5.07 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 1.20 0.00 0.00 118 A 8.71 4.55 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 0.00 119 A 8.64 4.49 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 0.00 120 L 8.85 4.65 0.00 1.46 1.50 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.89 4.70 0.00 2.71 2.48 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 0.00 122 N 8.86 4.91 0.00 2.86 2.81 0.00 0.00 6.58 6.81 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 0.00 123 T 8.56 4.24 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 1.20 0.00 0.00 124 S 8.24 4.56 0.00 3.98 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 0.00 125 D 8.62 4.67 0.00 2.81 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 0.00 126 Q 7.76 4.81 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 127 E 8.76 4.22 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 128 Y 8.83 4.65 0.00 3.13 2.75 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 0.00 129 H 8.16 5.39 0.00 2.83 3.13 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.60 4.76 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 1.11 0.00 0.00 131 K 8.58 5.11 0.00 1.88 1.67 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.23 7.81 132 K 8.61 4.07 0.00 1.72 1.71 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.35 7.81 133 N 9.24 4.22 0.00 2.74 2.80 0.00 0.00 7.00 7.92 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 0.00 134 D 8.02 4.57 0.00 2.88 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 0.00 135 K 8.50 5.16 0.00 1.76 1.70 0.00 2.01 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.55 7.81 136 L 8.44 4.70 0.00 1.65 1.66 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.54 5.10 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 1.00 0.00 0.00 138 Q 8.93 5.05 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.32 0.00 139 L 8.80 5.10 0.00 1.60 1.59 1.16 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.65 4.82 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 0.03 0.00 0.00 0.57 0.00 0.00 141 S 8.35 5.04 0.00 3.94 3.73 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 0.00 142 F 9.21 4.14 0.00 3.17 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 0.00 143 T 8.05 4.11 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 1.30 0.00 0.00 144 G 8.14 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 0.00 145 E 7.76 4.36 0.00 2.03 1.74 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 2.25 2.15 0.00 146 P 0.00 4.85 0.00 2.03 2.01 0.00 3.66 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 147 L 8.28 5.13 0.00 1.50 1.57 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 148 S 9.06 5.10 0.00 3.68 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 0.00 149 F 8.32 5.61 0.00 2.99 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 0.00 150 E 9.10 4.72 0.00 2.03 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 2.18 2.25 0.00 151 L 8.45 5.14 0.00 1.60 1.70 1.12 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.27 4.54 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 0.80 0.00 0.00 0.92 0.00 0.00 153 E 9.08 4.28 0.00 2.24 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 2.27 1.86 0.00 *154 E 7.70 4.60 0.00 1.92 1.64 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 2.12 1.86 0.00 *155 L 8.37 4.21 0.00 1.40 1.51 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.