NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 F 4.6433 8.3244 119.0202 56.6262 40.8523 174.6312 3 E 3.9550 8.1157 122.8477 55.5038 30.7857 175.2350 4 K 4.4557 8.5181 124.2583 54.4757 34.1282 175.7383 5 Q 4.1564 9.4820 127.5373 55.1092 28.4751 174.8632 6 F 4.5764 8.7745 128.8761 58.5326 40.1977 173.9992 7 N 5.0954 8.7348 122.6771 51.7284 42.8856 172.8367 8 H 5.2992 8.5747 120.1844 54.6995 33.4686 172.6149 9 R 4.5832 8.6805 122.8056 54.8854 34.8162 173.9961 10 T 4.7410 8.4199 119.5673 62.3339 70.0555 173.7466 11 L 4.7125 9.0010 128.6848 53.2302 44.7469 174.8681 12 E 4.7688 8.7437 125.7702 55.9253 30.6819 175.8056 13 T 4.7776 8.2859 112.1861 59.5067 72.2166 174.8550 14 S 4.2693 8.8112 115.2748 60.3247 63.1589 174.8144 15 L 4.4310 7.9490 120.7297 54.3397 41.7664 176.8683 16 G 4.0182 7.8997 105.2802 43.7164 0.0000 171.4618 17 P 4.7372 0.0000 0.0000 62.7467 32.1934 175.9516 18 V 4.5016 9.0574 122.7308 61.1341 34.6058 174.0310 19 E 4.7201 9.1263 127.9245 55.7058 30.9026 175.4726 20 I 4.8819 8.9764 127.5007 59.7665 38.7636 174.6690 21 E 4.8779 9.3944 124.9919 54.1011 33.6916 175.4417 22 G 4.2286 7.0524 109.3292 43.9705 0.0000 169.5872 23 P 4.9362 0.0000 0.0000 62.7663 31.8666 176.3382 24 V 4.4697 8.6033 124.1290 62.0728 32.6948 175.8582 25 T 4.1246 8.4476 116.8522 61.5125 69.6784 175.3292 26 S 4.0244 8.7860 117.1469 61.5303 62.1391 176.7170 27 Q 3.9372 7.8347 119.7496 59.0465 28.8914 178.1923 28 I 3.6720 7.4255 120.8941 64.0524 36.9961 178.3158 29 L 3.9764 8.1101 119.9533 57.8864 41.2171 179.4786 30 A 4.0644 7.4833 120.0309 55.1432 18.3332 179.3678 31 T 4.0119 7.3612 107.3030 63.5432 69.2233 174.7327 32 Y 4.9005 6.7749 118.8507 57.4645 39.4402 174.6792 33 K 4.5675 9.4045 124.8045 55.1984 34.9227 175.6126 34 L 4.6347 8.3920 129.4413 54.1300 42.1280 173.6284 35 D 4.4784 9.0146 124.4206 53.1350 41.6534 175.7632 36 P 4.3405 0.0000 0.0000 65.3889 31.5192 177.3406 37 G 3.9218 8.1918 104.9827 46.0894 0.0000 174.6406 38 L 4.7874 7.6326 122.1068 53.5987 40.4998 176.7350 39 T 5.5401 7.6848 109.2428 59.8697 69.4067 175.6645 40 A 4.1441 8.3660 124.6736 54.5175 19.6050 178.6668 41 F 4.7701 8.3325 111.9836 58.7113 41.2750 175.1530 42 R 4.7705 7.6009 117.0808 53.5204 34.3604 174.3604 43 Q 4.5149 8.3504 117.6621 54.9813 30.7122 175.8455 44 P 4.2717 0.0000 0.0000 65.9115 31.2566 178.9729 45 A 4.0430 7.9556 119.0292 55.2414 18.3123 179.4286 46 E 3.9557 8.1058 116.6831 59.4673 29.6801 179.1772 47 Q 3.9409 8.5433 120.1436 59.2129 29.1511 177.3801 48 H 4.0174 8.2420 119.3730 59.5277 29.8425 176.6911 49 E 3.8747 7.9826 120.6834 59.1844 29.3961 178.6530 50 A 3.9447 7.7190 120.4925 55.0573 18.4469 179.5919 51 L 3.7769 7.8597 117.5104 57.7413 41.5096 179.8488 52 V 3.4891 7.7015 118.0803 66.1541 31.0209 177.7820 53 E 3.9506 8.2236 118.2302 59.6377 29.2988 179.6015 54 I 3.8765 7.7363 119.4325 64.2763 36.9779 178.3560 55 A 4.0714 7.8929 120.0611 54.4664 18.2534 178.7842 56 A 4.1567 7.4277 117.8051 52.7292 19.2178 177.8980 57 L 4.1905 6.6939 118.5846 53.9903 42.6153 177.6116 58 E 3.8852 8.9819 123.1488 59.2114 29.4405 177.8443 59 E 4.2220 7.8904 112.6831 56.0896 30.4736 176.1582 60 G 4.2749 7.3027 108.1787 46.0896 0.0000 173.5709 61 R 4.8918 9.0671 122.7426 54.3177 34.6482 174.6780 62 I 4.9095 8.3378 122.3804 59.8965 40.8516 173.9973 63 I 4.8892 8.4877 128.6460 59.7624 39.0395 175.2997 64 I 5.0874 9.1766 119.5638 59.0239 41.2692 173.9164 65 A 5.0696 9.1591 125.9073 50.3243 21.1977 175.7484 66 R 4.8339 8.8458 122.3019 54.6379 34.5703 174.0803 67 Q 4.5593 8.7628 123.9376 54.0132 31.9727 176.9393 68 G 3.8794 8.9424 117.1495 47.0020 0.0000 172.9406 69 N 4.7362 9.0007 124.3749 53.0253 39.2840 172.2791 70 D 5.3699 7.7907 118.1071 53.2535 43.1833 175.5515 71 I 4.4354 8.7998 126.1239 60.8405 38.0363 176.2955 72 I 4.4009 8.3331 120.6639 60.1590 38.8594 175.2575 73 G 4.3252 7.6410 108.3216 46.5938 0.0000 171.9008 74 Y 5.4155 7.8602 118.5995 56.1836 42.0597 173.4766 75 V 4.9422 8.9871 119.1894 60.2939 35.3984 174.1430 76 T 5.0227 8.4194 112.6928 60.0282 72.0980 172.8711 77 F 5.4105 8.7188 121.4440 56.0206 43.4125 173.8674 78 L 4.5633 8.9625 122.5233 54.9424 44.2691 173.4433 79 Y 4.7751 8.6293 117.5100 57.1060 38.2632 174.8489 80 P 4.6056 0.0000 0.0000 61.9246 32.3825 175.7203 81 D 4.4011 8.9060 121.0875 54.1108 41.5872 175.1865 82 P 4.0671 0.0000 0.0000 65.4982 31.4833 176.5321 83 Y 4.9075 8.1945 115.3798 57.4503 38.1807 174.6790 84 E 4.8401 7.9552 117.2999 54.7726 34.2188 177.2141 85 T 3.5609 8.2208 116.1432 66.1580 68.3309 175.6026 86 W 4.8363 7.6950 118.6957 56.8158 29.5386 176.5750 87 S 4.6676 7.7401 113.4802 57.7462 63.6667 173.8690 88 E 3.9513 8.0710 121.9490 58.1538 29.5543 176.9922 89 G 3.8942 8.6856 112.6843 44.3266 0.0000 172.5028 90 N 3.9395 7.4186 116.2436 54.3674 37.6153 173.6762 91 N 4.6047 7.8206 116.1231 51.8265 39.8317 173.3562 92 P 4.2015 0.0000 0.0000 64.7088 31.9376 176.3556 93 Y 4.7053 8.7892 116.8557 58.1255 38.2443 174.4322 94 I 4.8715 7.6207 122.0370 59.8076 38.3802 174.8587 95 L 4.8648 9.1684 129.9210 53.0711 45.2145 174.4025 96 E 4.9605 9.4374 126.7042 54.3504 31.8137 174.7493 97 L 4.1999 8.3414 130.1265 53.9886 41.0557 176.5567 98 G 3.6777 8.6142 112.5675 48.3476 0.0000 170.6230 99 A 4.7983 8.8365 120.6084 49.3400 23.5901 174.1715 100 I 4.6935 8.2298 119.4850 59.0807 40.7463 174.2706 101 E 4.6686 8.3298 129.5349 54.3879 33.3063 174.0836 102 V 4.7703 8.2138 124.7951 60.6185 34.5638 174.7625 103 A 4.2005 9.0186 129.4950 52.4424 19.2918 178.4010 104 A 4.0156 8.9316 123.5292 55.2443 18.7316 180.4192 105 R 3.9634 7.9791 110.6786 58.6194 29.7350 177.0121 106 F 4.5547 7.9820 119.0426 57.9767 38.9190 176.7136 107 R 4.0852 7.6670 119.3356 57.2571 29.6671 180.3274 108 G 3.9531 8.8029 107.7261 46.2016 0.0000 174.0602 109 Q 4.4631 7.7972 116.0500 54.7905 29.6978 175.8859 110 Q 3.7242 8.0792 115.8557 57.2411 26.5717 176.0941 111 I 3.7919 7.3714 120.2589 64.3172 37.0920 178.1675 112 G 3.5204 7.9446 106.1070 47.6193 0.0000 175.1708 113 K 3.8239 7.9962 121.9990 59.3219 32.1722 178.5403 114 K 3.9881 8.0938 119.5017 58.9365 31.9118 178.5486 115 L 3.9262 8.2734 121.3616 58.1246 41.7799 179.0356 116 L 4.0900 7.8030 117.6874 57.6658 41.6262 178.8323 117 E 4.0988 7.8270 117.4912 59.7101 29.5652 179.4655 118 V 3.7319 7.5983 116.4473 65.7887 31.4487 177.9065 119 S 4.0714 7.6498 112.1376 59.4012 62.4905 175.9952 *121 L 4.1273 7.9029 122.3343 54.6134 43.2226 177.0417 122 D 4.8036 7.3134 117.7533 52.8923 41.1179 174.3286 123 P 4.3268 0.0000 0.0000 65.3063 32.0487 178.2103 124 A 4.3049 8.1768 124.5486 51.6648 17.1793 178.7412 *126 E 4.2939 8.1244 120.7219 57.2798 31.6697 177.5074 127 H 4.5428 8.0237 113.8230 55.8886 29.3665 174.3152 128 Y 5.0837 7.5682 117.5158 56.0195 41.5910 174.6150 129 L 4.6521 9.5267 125.8609 54.1173 43.4078 175.3535 130 I 4.9755 8.6008 129.4136 59.9347 38.6013 175.3272 131 L 4.9033 8.7134 127.9286 54.4605 43.5849 175.2285 132 T 4.8513 7.8909 112.6361 60.9845 70.9412 171.9752 133 T 4.7038 8.2961 117.1922 59.8200 71.3795 173.0063 134 E 4.5387 8.5896 124.0412 54.6828 33.3266 174.2875 135 Y 4.6003 7.6817 121.4703 55.6100 40.9152 176.7028 136 Y 2.0000 7.8903 121.2150 58.5896 38.1379 178.0105 137 W 3.8494 5.8811 115.4600 57.8780 28.4120 176.1070 138 H 4.6411 6.9038 114.8789 55.2418 28.6821 174.2797 139 W 4.6221 7.2283 120.2303 55.7729 30.0819 177.5885 140 D 4.6495 8.2857 122.9719 53.2238 38.0288 176.7201 141 L 3.9989 7.6942 124.4093 57.4536 41.9242 178.5575 142 K 4.0850 8.1623 119.1293 59.1531 31.9173 177.8354 143 G 4.3455 8.3258 104.9649 44.2759 0.0000 174.0093 144 S 4.6073 8.2193 113.8145 56.9332 64.2685 174.3833 145 G 3.9936 7.6233 105.9386 46.5309 0.0000 172.9720 146 L 4.6754 7.2761 119.4205 52.5696 43.9751 176.9144 147 S 4.5223 8.3996 120.5607 57.8674 65.3272 175.5382 148 V 3.6900 8.2171 120.5284 66.0180 31.1641 177.7829 149 W 4.4278 8.0667 118.1157 59.5039 29.1154 178.2849 150 D 4.4009 8.2314 118.6570 57.4295 40.0433 178.1032 151 Y 3.6458 7.8817 118.8878 60.5145 38.8681 177.6960 152 R 3.6654 7.7872 118.2111 59.3501 30.4972 178.2600 153 K 4.1687 8.2125 118.2030 59.4074 31.7932 179.6747 154 I 3.6088 7.1921 116.9217 61.6730 37.0281 176.7840 *156 E 4.3522 8.0965 122.1470 56.2864 31.3886 177.0309 157 K 4.6335 7.4457 119.1170 56.2793 29.1355 176.6665 *160 N 5.3628 8.0321 118.8362 53.6008 40.8088 176.8733 161 H 4.2301 7.9945 113.6939 58.2029 28.8276 176.5611 162 G 3.7306 8.0111 106.2695 46.0197 0.0000 174.4183 163 G 3.9915 8.1657 108.5789 44.8979 0.0000 173.9720 164 L 4.4219 7.6527 120.2648 54.4875 42.5480 176.0573 165 V 4.8056 8.2324 115.1832 58.9942 35.4509 175.3867 166 F 4.5231 8.8219 125.2359 58.6277 40.0290 174.3256 167 F 4.5953 8.0536 123.9576 54.6618 41.8303 173.5241 168 P 4.3403 0.0000 0.0000 63.2286 31.9076 175.5184 169 T 4.7915 8.1001 113.8995 61.3615 70.0951 172.8319 170 D 4.8339 8.6187 125.8369 53.0925 39.9059 176.5789 171 D 4.3439 8.1292 120.2170 54.5497 42.3657 175.0681 172 P 4.2890 0.0000 0.0000 65.8071 31.2980 178.3145 173 E 4.1028 8.2621 115.3081 59.8530 29.2602 179.1398 174 I 4.1431 8.3486 119.0470 64.4997 37.0724 178.3751 175 A 4.3117 8.5622 120.6729 54.3929 18.2644 179.3693 176 S 4.3965 7.8453 111.9044 60.2021 63.5689 174.2193 177 H 4.8524 7.8982 121.8114 53.7720 32.6778 172.2316 178 P 4.5168 0.0000 0.0000 65.4848 31.4352 177.4730 179 A 4.0822 8.0954 121.3577 54.8219 18.5397 177.5428 180 N 4.8998 7.8246 112.1645 54.1462 39.5066 174.6407 181 C 5.0139 8.8797 114.2168 57.4908 33.5813 172.8965 182 L 5.0851 8.6647 121.9553 52.7408 44.9176 174.5022 *184 A 4.4952 8.1849 121.6635 51.7160 20.4344 175.5548 185 R 4.8253 9.0823 121.5957 54.7234 32.3305 175.2026 186 I 4.3127 8.4340 128.6899 59.6939 37.6850 176.1398 187 G 3.7568 8.3721 115.5517 46.2049 0.0000 173.4886 188 K 3.8943 8.7227 121.8835 59.3000 32.1763 177.8680 189 H 4.6819 7.7058 112.8939 55.2277 28.8388 175.1175 190 V 3.5197 7.3940 120.6697 62.2895 31.8941 175.9494 191 A 4.2188 8.0817 129.4909 51.1290 19.2199 176.4715 192 P 4.2907 0.0000 0.0000 65.7088 31.2925 179.1581 193 E 3.9871 8.1209 117.1730 59.2703 29.4128 179.3366 194 V 3.6953 7.6363 118.5484 66.0045 31.5636 178.3412 195 V 3.6729 7.8068 117.3948 65.8783 31.4463 177.6954 196 A 4.0253 8.4247 120.9873 55.3189 18.2280 179.1194 197 H 4.1449 8.4241 116.8314 59.3463 29.9975 177.1490 198 F 4.3441 8.4600 122.4839 61.7068 39.1819 176.8539 199 D 4.0620 8.4507 118.2497 57.2064 40.3340 178.6728 200 A 4.0338 7.7414 120.5705 54.7043 18.3804 179.5503 201 L 3.9833 7.5974 117.3539 57.9824 42.1047 179.5691 202 R 4.5346 8.0640 115.7139 57.2239 29.8629 175.4046 203 L 5.0621 7.6144 118.9544 52.9381 41.9970 176.0962 204 R 4.4510 8.7192 124.3505 56.2160 30.6644 177.6393 205 R 3.5294 7.8429 111.6346 57.4103 26.8045 174.9935 206 R 4.4926 8.1403 121.5506 56.0204 32.5576 177.3014 *207 F 4.0718 8.7416 118.4145 56.9281 37.8708 173.5031 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 F 8.32 4.64 0.00 2.32 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 0.00 0.00 0.00 0.00 3 E 8.12 3.96 0.00 1.99 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 2.30 2.48 0.00 4 K 8.52 4.46 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81 5 Q 9.48 4.16 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 6 F 8.77 4.58 0.00 3.09 2.96 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 0.00 0.00 0.00 7 N 8.73 5.10 0.00 2.41 2.51 0.00 0.00 6.05 8.17 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 8 H 8.57 5.30 0.00 3.12 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.68 4.58 0.00 1.57 1.64 0.00 3.28 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 10 T 8.42 4.74 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 1.27 0.00 0.00 11 L 9.00 4.71 0.00 1.65 1.45 0.89 0.87 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 12 E 8.74 4.77 0.00 1.89 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 2.29 2.30 0.00 13 T 8.29 4.78 4.34 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 1.28 0.00 0.00 14 S 8.81 4.27 0.00 3.97 4.04 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 15 L 7.95 4.43 0.00 1.63 1.55 -0.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.90 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 17 P 0.00 4.74 0.00 2.10 2.08 0.00 3.74 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 2.01 1.98 0.00 18 V 9.06 4.50 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 0.70 0.00 0.00 0.95 0.00 0.00 19 E 9.13 4.72 0.00 1.89 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 2.41 2.46 0.00 20 I 8.98 4.88 1.84 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 1.20 1.01 0.91 0.00 0.00 21 E 9.39 4.88 0.00 1.80 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 2.23 2.41 0.00 22 G 7.05 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 0.00 0.00 0.00 0.00 23 P 0.00 4.94 0.00 2.14 2.11 0.00 3.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 24 V 8.60 4.47 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 0.95 0.00 0.00 1.22 0.00 0.00 25 T 8.45 4.12 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 1.20 0.00 0.00 26 S 8.79 4.02 0.00 3.88 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 27 Q 7.83 3.94 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 28 I 7.43 3.67 1.77 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 1.39 0.52 0.61 0.00 0.00 29 L 8.11 3.98 0.00 1.77 1.68 0.91 1.19 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 30 A 7.48 4.06 1.30 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 0.00 0.00 0.00 31 T 7.36 4.01 4.13 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 1.15 0.00 0.00 32 Y 6.77 4.90 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 33 K 9.40 4.57 0.00 1.86 1.66 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.22 7.81 34 L 8.39 4.63 0.00 1.47 1.44 0.92 0.98 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 35 D 9.01 4.48 0.00 2.94 2.65 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 36 P 0.00 4.34 0.00 2.11 2.14 0.00 3.78 0.00 0.00 3.70 0.00 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0.00 2.14 2.34 0.00 45 A 7.96 4.04 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 46 E 8.11 3.96 0.00 2.10 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 0.00 2.42 2.44 0.00 47 Q 8.54 3.94 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 48 H 8.24 4.02 0.00 3.35 3.45 0.00 5.65 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 49 E 7.98 3.87 0.00 2.13 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 0.00 2.31 2.21 0.00 50 A 7.72 3.94 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 51 L 7.86 3.78 0.00 1.77 1.58 0.49 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.70 3.49 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 1.03 0.00 0.00 0.81 0.00 0.00 53 E 8.22 3.95 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.80 0.00 0.00 112 G 7.94 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.82 0.00 1.75 1.93 0.00 1.56 0.00 0.00 1.35 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 114 K 8.09 3.99 0.00 2.00 1.84 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.43 7.81 115 L 8.27 3.93 0.00 2.01 1.67 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.80 4.09 0.00 1.83 1.75 0.92 0.81 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 0.00 117 E 7.83 4.10 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 118 V 7.60 3.73 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 0.69 0.00 0.00 0.97 0.00 0.00 119 S 7.65 4.07 0.00 4.10 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 *121 L 7.90 4.13 0.00 1.72 1.74 0.86 1.05 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 0.00 122 D 7.31 4.80 0.00 2.48 2.54 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 0.00 123 P 0.00 4.33 0.00 2.11 2.14 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 124 A 8.18 4.30 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 *126 E 8.12 4.29 0.00 2.08 1.95 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 2.40 2.26 0.00 127 H 8.02 4.54 0.00 3.02 3.13 0.00 5.60 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.57 5.08 0.00 2.90 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 0.00 129 L 9.53 4.65 0.00 1.63 1.53 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.60 4.98 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 1.09 0.00 0.00 131 L 8.71 4.90 0.00 1.45 1.44 0.53 0.35 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 0.00 132 T 7.89 4.85 4.18 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 0.00 0.00 1.18 0.00 0.00 133 T 8.30 4.70 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 134 E 8.59 4.54 0.00 2.03 2.29 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 2.24 2.52 0.00 135 Y 7.68 4.60 0.00 1.43 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 0.00 136 Y 7.89 2.00 0.00 2.53 2.32 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 0.00 137 W 5.88 3.85 0.00 2.87 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 0.00 138 H 6.90 4.64 0.00 2.93 2.98 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 W 7.23 4.62 0.00 3.01 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 0.00 0.00 0.00 140 D 8.29 4.65 0.00 2.81 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 0.00 141 L 7.69 4.00 0.00 1.76 1.90 1.00 0.86 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 0.00 142 K 8.16 4.09 0.00 1.94 1.83 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.08 7.81 143 G 8.33 4.35 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 0.00 144 S 8.22 4.61 0.00 3.99 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 0.00 145 G 7.62 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 0.00 146 L 7.28 4.68 0.00 1.90 1.71 0.93 0.87 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 0.00 147 S 8.40 4.52 0.00 4.20 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 0.00 148 V 8.22 3.69 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 0.74 0.00 0.00 0.86 0.00 0.00 149 W 8.07 4.43 0.00 3.50 3.24 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 0.00 150 D 8.23 4.40 0.00 2.79 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 0.00 151 Y 7.88 3.65 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 0.00 152 R 7.79 3.67 0.00 1.94 2.29 0.00 3.43 0.00 0.00 3.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 153 K 8.21 4.17 0.00 1.98 1.83 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.71 7.81 154 I 7.19 3.61 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.36 0.67 0.00 0.00 *156 E 8.10 4.35 0.00 2.05 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 0.00 2.35 2.39 0.00 157 K 7.45 4.63 0.00 1.93 1.76 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.49 7.81 *160 N 8.03 5.36 0.00 2.90 2.80 0.00 0.00 7.63 8.16 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 0.00 161 H 7.99 4.23 0.00 3.11 3.36 0.00 5.84 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 0.00 162 G 8.01 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 0.00 0.00 0.00 163 G 8.17 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 0.00 164 L 7.65 4.42 0.00 1.79 1.63 0.97 0.90 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 0.00 165 V 8.23 4.81 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 0.62 0.00 0.00 0.67 0.00 0.00 166 F 8.82 4.52 0.00 3.15 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 0.00 167 F 8.05 4.60 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.34 0.00 2.10 2.12 0.00 3.77 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 169 T 8.10 4.79 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 1.37 0.00 0.00 170 D 8.62 4.83 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.13 4.34 0.00 2.90 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 0.00 172 P 0.00 4.29 0.00 2.23 2.11 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 173 E 8.26 4.10 0.00 2.34 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 0.00 2.32 2.53 0.00 174 I 8.35 4.14 2.20 0.00 0.00 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 1.68 1.65 1.10 0.00 0.00 175 A 8.56 4.31 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 0.00 176 S 7.85 4.40 0.00 4.21 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 0.00 177 H 7.90 4.85 0.00 3.34 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.52 0.00 2.73 2.38 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.15 0.00 179 A 8.10 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 N 7.82 4.90 0.00 3.15 2.87 0.00 0.00 6.82 6.96 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 0.00 181 C 8.88 5.01 0.00 3.47 3.34 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 0.00 182 L 8.66 5.09 0.00 1.75 1.64 0.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *184 A 8.18 4.50 0.97 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 0.00 185 R 9.08 4.83 0.00 1.85 1.79 0.00 3.19 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 186 I 8.43 4.31 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 0.88 0.00 0.00 187 G 8.37 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 8.72 3.89 0.00 1.48 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.53 7.81 189 H 7.71 4.68 0.00 2.97 3.13 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.39 3.52 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 0.67 0.00 0.00 0.91 0.00 0.00 191 A 8.08 4.22 1.21 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 0.00 0.00 0.00 192 P 0.00 4.29 0.00 2.17 2.13 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 2.10 2.17 0.00 193 E 8.12 3.99 0.00 2.07 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 0.00 2.41 2.44 0.00 194 V 7.64 3.70 2.23 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 1.10 0.00 0.00 0.98 0.00 0.00 195 V 7.81 3.67 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 1.14 0.00 0.00 0.98 0.00 0.00 196 A 8.42 4.03 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 0.00 197 H 8.42 4.14 0.00 3.40 3.61 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.46 4.34 0.00 3.06 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 0.00 199 D 8.45 4.06 0.00 2.88 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 0.00 200 A 7.74 4.03 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 0.00 201 L 7.60 3.98 0.00 1.96 1.80 1.20 0.63 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 0.00 202 R 8.06 4.53 0.00 2.07 2.06 0.00 2.54 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 203 L 7.61 5.06 0.00 1.74 1.62 0.93 0.95 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 0.00 204 R 8.72 4.45 0.00 1.73 1.86 0.00 3.25 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 205 R 7.84 3.53 0.00 1.86 1.90 0.00 3.18 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 206 R 8.14 4.49 0.00 1.79 1.83 0.00 3.17 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 *207 F 8.74 4.07 0.00 2.35 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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.