NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3170 8.4449 121.4686 55.7392 31.0929 175.6394 3 L 4.0207 8.3636 124.3379 57.1812 42.8749 175.6803 4 I 4.6504 7.5355 119.0640 60.4741 38.6535 175.7012 5 V 4.4400 8.6885 126.4193 61.0917 34.8178 173.8649 6 N 5.0384 8.8154 125.4782 52.4433 40.2798 174.1288 7 V 4.7681 8.8585 124.2127 61.2285 34.1779 174.1752 8 I 4.8461 8.8976 129.5949 59.6504 40.1377 174.2821 9 N 5.2909 9.4227 125.4933 51.8034 40.9457 175.2435 10 G 4.5261 8.8125 114.0639 43.5695 0.0000 170.7162 11 P 4.5232 0.0000 0.0000 64.6375 31.8663 176.4972 12 N 4.6175 9.6238 118.8229 53.4966 37.0791 176.2086 13 L 4.2160 7.7228 118.0208 56.7276 41.9307 179.0650 14 G 3.6793 8.0466 106.4812 47.4660 0.0000 174.2424 15 R 4.3791 7.8785 118.4960 55.6747 30.6518 176.2441 16 L 3.9513 7.3567 118.9462 56.8989 41.9853 178.1366 17 G 4.1591 9.8810 110.6113 45.5295 0.0000 173.8469 18 R 4.6617 7.6106 114.8495 55.3842 33.1125 176.5460 19 R 3.9258 8.2556 116.8665 59.0500 30.3806 177.8294 *26 G 3.9870 8.0143 104.7863 45.6078 0.0000 173.4950 27 T 3.9696 7.7740 116.9484 63.1842 68.9466 175.1809 28 T 4.7868 8.2173 118.5604 60.3944 71.4207 175.1987 29 H 4.0149 8.6456 120.2736 59.5226 29.8621 176.6304 30 D 4.3753 8.2204 120.1923 57.6300 40.5706 178.5184 31 E 3.9153 8.1661 119.5391 58.9563 29.5838 178.5002 32 L 3.8526 8.0630 120.6116 58.0901 42.0686 178.8812 33 V 3.4658 7.9044 118.2237 66.0849 31.3794 177.6630 34 A 3.9568 8.0180 120.1510 55.2560 18.2029 179.5419 35 L 3.9133 8.1125 117.5408 58.0266 41.6316 179.9014 36 I 3.6717 7.8684 119.6750 64.3962 37.0711 178.2786 37 E 3.9277 8.3770 119.6724 59.4394 29.2879 179.4785 38 R 3.8715 7.9647 118.6435 59.4279 30.2626 178.2269 39 E 3.9174 8.2469 118.9748 59.0519 29.5460 178.5395 40 A 3.9623 8.3971 121.0841 55.1303 18.5930 179.4277 41 A 3.9104 8.0661 119.2403 55.3459 18.2381 179.3717 42 E 3.9108 7.9730 116.6995 59.0740 29.7591 178.1907 43 L 4.4313 7.6401 116.0136 54.2181 42.0567 177.3188 44 G 3.8260 7.7277 106.7163 45.8134 0.0000 173.1143 45 L 4.8289 7.9655 119.0303 52.4839 44.9165 175.6794 46 K 4.5539 9.1128 120.9273 54.7568 34.6406 174.3857 47 A 4.9985 8.6534 129.2915 50.4771 20.9912 176.1182 48 V 4.0969 8.6106 122.7367 61.2768 33.4205 174.3162 49 V 4.7630 8.1857 128.2346 61.2441 33.1401 175.0269 50 R 4.4932 8.7453 125.9149 54.3478 34.3598 173.9889 51 Q 5.2178 8.5037 121.9202 54.7819 32.2810 173.9279 52 S 4.8166 9.2450 119.1449 57.3111 66.1858 174.0606 53 D 4.6395 8.8890 123.7321 54.7336 41.4914 176.7221 54 S 4.5302 7.9265 115.6843 56.4463 63.5019 173.6050 55 E 3.8432 8.7658 129.9650 59.5501 29.4379 178.4603 56 A 3.8615 7.8626 120.0611 55.1533 18.4050 179.2542 57 Q 3.3909 7.6284 117.7813 58.9913 29.0658 178.3189 58 L 3.9462 7.5804 119.9358 57.8068 41.5937 179.3525 59 L 3.8499 7.9680 119.0785 57.8982 41.5166 179.2032 60 D 4.2296 7.7535 117.6550 57.1229 41.1593 178.2731 61 W 4.5004 7.8271 119.4904 59.9617 28.9630 178.6174 62 I 3.8210 8.0593 119.7804 64.6172 36.4886 178.0522 63 H 4.2606 8.4992 117.4602 59.1603 28.5493 177.8531 64 Q 4.0309 8.4605 119.5181 58.9913 28.5887 178.7057 65 A 4.0358 8.1774 121.5653 54.9144 18.3231 179.6356 66 A 3.9597 8.3155 119.5598 55.5917 18.3061 179.6818 67 D 4.3526 8.2003 116.0204 57.0196 40.9868 178.0226 68 A 4.2545 8.1444 118.4308 51.1770 19.4550 176.6030 69 A 3.7236 7.5265 118.8383 53.1882 16.7941 176.9040 70 E 4.8705 7.9196 118.8348 54.7788 31.9316 175.7988 71 P 4.7138 0.0000 0.0000 62.9503 33.2815 175.0825 72 V 4.8641 8.6292 120.0755 61.3306 35.0760 174.0162 73 I 4.7854 9.0213 128.9637 59.6482 39.3326 174.2957 74 L 5.0308 8.9995 129.6637 53.3015 45.0806 174.5843 75 N 5.3650 9.3449 125.7018 50.9528 39.8627 174.3021 76 A 4.2917 8.6852 127.1173 51.3835 20.0129 178.4448 77 G 3.9482 8.2565 106.3405 46.2697 0.0000 176.7196 78 G 3.8101 8.7116 107.7155 48.4744 0.0000 174.9663 79 L 4.3850 7.6859 118.9790 56.5690 42.2284 179.1187 80 T 3.9015 8.0674 116.4084 66.9194 68.3802 175.3938 81 H 5.0130 7.9999 114.7013 55.8763 29.4338 176.0544 82 T 4.5885 7.8180 107.4065 61.3562 70.4694 173.0517 83 S 4.5644 8.1883 117.4322 56.5014 62.3634 174.5312 84 V 3.0954 7.8934 128.3841 65.6333 31.3163 177.3288 85 A 3.9104 7.8445 120.1299 55.1753 18.1759 179.2574 86 L 3.8498 8.1465 118.9168 58.0861 42.1622 178.7323 87 R 3.8948 7.5567 118.4161 59.9908 29.7246 178.0594 88 D 4.3491 8.1237 116.8194 57.3103 40.9364 178.4103 89 A 4.1932 8.0938 121.2804 55.4877 18.4183 179.5521 90 C 4.1770 8.2211 114.9098 62.6229 27.9406 176.0474 91 A 4.1229 7.9328 121.6696 54.7317 17.9714 178.9317 92 E 4.1131 7.8367 115.9572 57.4009 30.0157 177.4789 93 L 4.1806 7.3609 120.0082 54.8078 42.1941 177.1016 94 S 4.3890 8.6309 116.5536 59.4724 64.1535 174.2557 95 A 4.5393 7.6415 121.6574 49.8931 20.2738 175.3313 96 P 4.4228 0.0000 0.0000 62.8428 32.9173 175.5614 97 L 5.1732 8.5490 124.4137 53.4384 44.8458 174.7719 98 I 4.7382 8.6431 127.7794 59.4348 39.5713 174.4386 99 E 4.6449 8.9086 129.4172 55.6554 30.7215 175.3558 100 V 4.7399 8.5567 126.1854 61.4080 35.2937 173.7796 101 H 4.9701 8.9511 123.5868 54.1237 32.2473 174.5060 102 I 3.9852 8.6863 123.9772 64.4618 37.8416 176.8814 103 S 4.5277 7.9423 114.3544 57.3749 64.2396 173.9143 104 N 4.5840 8.3367 120.5168 52.4631 37.3985 175.7862 105 V 3.5573 8.0749 119.5215 64.2202 31.8753 177.9565 106 H 4.3630 8.0129 114.5623 56.9026 28.6222 175.5717 107 A 4.6320 7.9468 121.5674 51.7377 19.6766 177.0140 108 R 4.8146 7.0097 117.2095 55.1297 32.4263 175.5986 109 E 3.8603 8.2418 118.7410 57.2167 30.2819 177.2894 110 E 3.8454 8.8674 122.8987 59.4064 29.8036 179.3569 111 F 4.3296 7.9053 112.8978 59.5726 37.9929 176.6873 112 R 3.5588 7.1403 118.5415 57.2558 30.0148 177.1092 113 R 4.1699 7.6420 116.3078 56.3649 30.5079 175.6687 114 H 4.8350 7.6951 116.4549 53.7461 30.9710 172.7630 115 S 4.8856 8.4213 118.4061 56.5139 64.5645 173.5522 116 Y 4.3465 8.6623 125.2735 60.2703 38.1937 176.9478 117 L 4.3779 7.9508 119.5368 56.8315 42.5528 179.0466 118 S 4.3318 8.1875 113.9659 60.5046 62.8620 174.8652 119 P 4.3181 0.0000 0.0000 64.4858 31.1917 176.8999 120 I 4.2298 7.5485 109.4075 60.4832 38.4930 175.8990 121 A 4.3003 7.3679 124.6684 52.1079 19.1203 177.6665 122 T 4.0374 8.6198 118.4516 66.4461 68.9850 174.5743 123 G 4.0783 7.5384 105.5582 45.4033 0.0000 171.3985 124 V 5.0363 8.0527 118.6454 61.1252 34.6880 174.2599 125 I 4.5894 8.8050 128.3409 59.6472 39.7345 175.0580 126 V 5.2081 7.6287 119.0333 59.5206 35.3773 176.3749 127 G 3.9184 9.1267 110.4575 45.9927 0.0000 173.7782 128 L 4.4429 7.8030 118.0808 53.9451 42.4682 178.5077 129 G 3.9293 7.7850 109.4657 45.4190 0.0000 174.9085 130 I 3.8105 8.1897 117.8596 64.1315 37.5593 177.9686 131 Q 4.1154 8.2986 120.9407 58.8405 28.6216 178.1206 132 G 3.8184 7.9943 106.7972 48.3241 0.0000 175.1685 133 Y 3.8963 7.8141 118.5992 60.7779 37.8172 178.5828 134 L 4.0383 7.8962 119.4201 57.8115 41.7479 179.4598 135 L 4.0489 8.2630 118.9079 57.5402 41.5082 179.3803 136 A 4.0234 8.0696 120.9147 55.1595 18.3404 179.6280 137 L 3.9835 8.0810 117.5434 58.0343 41.6791 179.8227 138 R 3.9378 7.9885 118.5782 59.1903 29.9972 177.7773 139 Y 4.0835 8.2309 119.6154 60.9465 38.5913 178.3989 140 L 3.9581 7.9289 118.0307 57.6023 41.7636 179.1116 141 A 4.1184 8.1660 120.9296 54.9986 18.1749 178.9371 142 E 4.2495 8.0261 114.4231 57.7122 29.7968 177.1380 143 H 4.2894 7.1250 114.8527 55.9791 29.4410 174.7857 144 V 3.6359 7.2391 124.0545 61.7544 33.0217 174.3441 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 2 E 8.44 4.32 0.00 1.94 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 2.19 2.34 0.00 3 L 8.36 4.02 0.00 1.76 1.69 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.54 4.65 2.00 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 1.10 0.48 0.94 0.00 0.00 5 V 8.69 4.44 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 1.06 0.00 0.00 0.94 0.00 0.00 6 N 8.82 5.04 0.00 2.81 2.67 0.00 0.00 6.10 7.78 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 7 V 8.86 4.77 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 1.05 0.00 0.00 0.91 0.00 0.00 8 I 8.90 4.85 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 1.13 0.00 0.00 9 N 9.42 5.29 0.00 2.67 2.77 0.00 0.00 6.38 7.23 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 10 G 8.81 4.53 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 0.00 0.00 0.00 11 P 0.00 4.52 0.00 2.08 2.04 0.00 4.00 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 2.05 2.30 0.00 12 N 9.62 4.62 0.00 2.96 3.05 0.00 0.00 6.80 7.59 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 13 L 7.72 4.22 0.00 1.87 1.78 1.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.05 3.68 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 0.00 0.00 0.00 15 R 7.88 4.38 0.00 2.01 1.97 0.00 3.33 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 16 L 7.36 3.95 0.00 1.85 1.87 0.97 0.97 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 17 G 9.88 4.16 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 0.00 18 R 7.61 4.66 0.00 1.69 1.91 0.00 3.44 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 19 R 8.26 3.93 0.00 1.81 2.02 0.00 3.26 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 *26 G 8.01 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 27 T 7.77 3.97 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 1.20 0.00 0.00 28 T 8.22 4.79 4.26 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 1.22 0.00 0.00 29 H 8.65 4.01 0.00 3.37 3.36 0.00 5.69 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 30 D 8.22 4.38 0.00 2.73 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.17 3.92 0.00 2.09 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 2.30 2.34 0.00 32 L 8.06 3.85 0.00 1.73 1.71 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.90 3.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.87 0.00 0.00 34 A 8.02 3.96 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 35 L 8.11 3.91 0.00 1.82 1.71 0.91 1.16 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 36 I 7.87 3.67 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.88 0.00 0.00 37 E 8.38 3.93 0.00 2.17 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 2.30 2.41 0.00 38 R 7.96 3.87 0.00 1.99 2.05 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 39 E 8.25 3.92 0.00 2.13 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 2.31 2.37 0.00 40 A 8.40 3.96 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 41 A 8.07 3.91 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 42 E 7.97 3.91 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 43 L 7.64 4.43 0.00 1.82 1.68 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.73 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 0.00 0.00 0.00 45 L 7.97 4.83 0.00 1.59 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.11 4.55 0.00 1.72 1.61 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.33 7.81 47 A 8.65 5.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.61 4.10 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 0.81 0.00 0.00 0.88 0.00 0.00 49 V 8.19 4.76 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 0.81 0.00 0.00 0.87 0.00 0.00 50 R 8.75 4.49 0.00 0.76 0.66 0.00 2.40 0.00 0.00 2.66 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 51 Q 8.50 5.22 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 52 S 9.25 4.82 0.00 3.97 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 53 D 8.89 4.64 0.00 2.70 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 54 S 7.93 4.53 0.00 3.81 3.60 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 55 E 8.77 3.84 0.00 2.03 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 2.32 2.35 0.00 56 A 7.86 3.86 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 57 Q 7.63 3.39 0.00 1.76 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.00 58 L 7.58 3.95 0.00 1.84 1.74 0.94 0.65 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 59 L 7.97 3.85 0.00 1.68 1.51 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.75 4.23 0.00 2.66 2.47 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 0.00 0.00 0.00 0.00 61 W 7.83 4.50 0.00 3.61 3.07 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 62 I 8.06 3.82 2.00 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 1.81 0.89 0.97 0.00 0.00 63 H 8.50 4.26 0.00 3.33 3.32 0.00 5.62 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 64 Q 8.46 4.03 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 65 A 8.18 4.04 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 66 A 8.32 3.96 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 67 D 8.20 4.35 0.00 2.83 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 68 A 8.14 4.25 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 69 A 7.53 3.72 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 70 E 7.92 4.87 0.00 1.88 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 2.43 2.42 0.00 71 P 0.00 4.71 0.00 2.14 2.21 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 72 V 8.63 4.86 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 1.08 0.00 0.00 0.96 0.00 0.00 73 I 9.02 4.79 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 1.13 0.62 0.92 0.00 0.00 74 L 9.00 5.03 0.00 1.73 1.48 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.34 5.37 0.00 2.83 2.91 0.00 0.00 6.96 7.94 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 76 A 8.69 4.29 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 77 G 8.26 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 0.00 0.00 0.00 78 G 8.71 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 79 L 7.69 4.39 0.00 1.84 1.74 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.07 3.90 3.88 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 1.20 0.00 0.00 81 H 8.00 5.01 0.00 3.24 3.47 0.00 5.56 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.82 4.59 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 1.30 0.00 0.00 83 S 8.19 4.56 0.00 3.86 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 84 V 7.89 3.10 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 0.94 0.00 0.00 0.39 0.00 0.00 85 A 7.84 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.15 3.85 0.00 1.74 1.66 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.56 3.89 0.00 1.95 2.08 0.00 3.36 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 88 D 8.12 4.35 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.09 4.19 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 90 C 8.22 4.18 0.00 3.18 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 91 A 7.93 4.12 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 92 E 7.84 4.11 0.00 2.16 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 0.00 2.35 2.36 0.00 93 L 7.36 4.18 0.00 1.75 1.63 0.98 0.78 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 94 S 8.63 4.39 0.00 3.98 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 95 A 7.64 4.54 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 96 P 0.00 4.42 0.00 2.20 2.11 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 97 L 8.55 5.17 0.00 1.75 1.51 0.99 0.96 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 98 I 8.64 4.74 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.96 0.86 0.00 0.00 99 E 8.91 4.64 0.00 2.05 1.79 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 2.23 2.22 0.00 100 V 8.56 4.74 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 0.87 0.00 0.00 0.86 0.00 0.00 101 H 8.95 4.97 0.00 3.07 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.69 3.99 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 1.38 1.24 0.92 0.00 0.00 103 S 7.94 4.53 0.00 3.96 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 0.00 104 N 8.34 4.58 0.00 2.74 2.75 0.00 0.00 6.93 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 0.00 105 V 8.07 3.56 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 0.59 0.00 0.00 0.67 0.00 0.00 106 H 8.01 4.36 0.00 3.33 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.95 4.63 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 0.00 108 R 7.01 4.81 0.00 1.57 1.66 0.00 3.14 0.00 0.00 3.14 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 109 E 8.24 3.86 0.00 1.16 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 2.30 2.21 0.00 110 E 8.87 3.85 0.00 2.01 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 2.42 2.46 0.00 111 F 7.91 4.33 0.00 3.20 3.29 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 0.00 112 R 7.14 3.56 0.00 1.62 1.75 0.00 2.96 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.00 113 R 7.64 4.17 0.00 1.64 1.85 0.00 3.23 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 114 H 7.70 4.83 0.00 3.25 3.09 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.42 4.89 0.00 3.81 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 0.00 116 Y 8.66 4.35 0.00 3.06 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 0.00 117 L 7.95 4.38 0.00 1.79 1.74 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.19 4.33 0.00 3.90 3.94 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 0.00 119 P 0.00 4.32 0.00 2.08 2.14 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 120 I 7.55 4.23 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.94 0.00 0.00 121 A 7.37 4.30 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 0.00 122 T 8.62 4.04 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 1.19 0.00 0.00 123 G 7.54 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 0.00 124 V 8.05 5.04 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 0.93 0.00 0.00 0.99 0.00 0.00 125 I 8.81 4.59 1.83 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 1.18 0.48 0.89 0.00 0.00 126 V 7.63 5.21 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 1.12 0.00 0.00 1.02 0.00 0.00 127 G 9.13 3.92 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 0.00 0.00 0.00 128 L 7.80 4.44 0.00 1.64 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.78 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 0.00 130 I 8.19 3.81 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 1.30 0.72 0.91 0.00 0.00 131 Q 8.30 4.12 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 132 G 7.99 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 0.00 133 Y 7.81 3.90 0.00 2.71 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 0.00 134 L 7.90 4.04 0.00 1.81 1.72 0.92 0.65 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 0.00 135 L 8.26 4.05 0.00 1.83 1.73 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.07 4.02 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 0.00 137 L 8.08 3.98 0.00 1.95 1.75 0.92 0.66 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 0.00 138 R 7.99 3.94 0.00 1.93 2.11 0.00 3.13 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 139 Y 8.23 4.08 0.00 3.11 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 0.00 140 L 7.93 3.96 0.00 1.87 1.74 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.17 4.12 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 0.00 142 E 8.03 4.25 0.00 1.91 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 2.47 2.48 0.00 143 H 7.13 4.29 0.00 2.71 3.06 0.00 5.85 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.24 3.64 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 0.57 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.