NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2757 8.2493 123.5815 51.0710 19.8307 176.3260 4 P 4.3632 0.0000 0.0000 61.7758 32.5424 170.1485 5 V 3.9934 8.9950 120.8513 62.4590 33.5422 176.2317 6 K 4.2954 9.1422 127.9407 55.1727 32.8929 175.2219 7 L 5.0620 9.0936 128.8844 53.1973 44.3038 174.7514 8 A 5.3640 8.9107 128.8044 50.6533 21.4631 175.5697 9 I 4.8407 9.1792 123.7352 59.7825 39.9149 175.1842 10 V 4.7632 9.0548 129.6629 61.1021 32.8636 174.3780 11 F 5.5229 8.7080 123.3024 55.1090 41.1865 173.1577 12 Y 4.5604 9.2111 122.8326 55.8804 40.6804 175.0342 13 S 4.3603 6.9480 119.4934 56.8775 65.2841 173.5854 14 S 3.8071 8.5200 124.4350 61.2127 62.8494 175.8042 15 T 4.7520 7.5821 105.7728 60.9690 69.3469 173.4120 16 G 4.1160 8.2300 114.7568 46.7490 0.0000 176.9509 17 T 3.8159 8.2544 116.3561 66.6380 68.6627 175.4859 18 G 3.9139 8.2604 108.4272 48.8972 0.0000 174.0198 19 Y 3.9690 8.1818 120.6720 60.3966 39.1698 177.4576 20 A 3.4377 8.4271 119.8801 53.6682 18.8528 178.5296 *22 A 4.1125 8.0151 121.7472 52.9549 20.5764 179.6309 23 Q 3.8113 7.6184 114.7748 59.1003 28.7136 178.9073 24 E 3.8278 7.8705 119.5006 59.2058 29.6581 178.7650 25 A 3.9644 7.7683 120.1453 54.9860 18.4553 179.3575 26 A 3.9716 8.1303 119.4304 55.2505 18.5042 179.7538 27 E 3.8956 8.3588 117.0144 59.3790 29.6096 179.2902 28 A 4.0684 7.9887 120.8421 55.1131 18.4081 179.9868 29 G 3.5032 8.0845 104.0768 47.9894 0.0000 175.9331 30 R 4.1739 8.6566 123.3379 58.5123 29.8958 178.4158 31 A 4.0405 8.5047 119.5581 54.8178 18.4276 178.5297 32 A 4.3275 7.4849 116.3859 52.2460 18.8140 177.9865 33 G 3.9572 7.7616 105.0555 45.1419 0.0000 174.5176 34 A 4.4225 8.1410 122.1690 51.5893 20.4293 176.4706 35 E 4.5537 9.6710 122.4801 55.1211 30.7195 174.8727 36 V 5.0753 8.4954 127.1549 61.2532 34.0828 174.9904 37 R 4.5306 9.3755 126.5856 54.3411 32.7319 174.3474 38 L 4.8238 8.5608 126.9742 54.0835 43.4224 175.8453 39 L 5.0338 9.2798 126.3439 52.9693 46.0831 175.5317 40 K 3.6445 8.8039 124.2586 55.5288 34.1652 176.7365 41 V 3.6495 7.6852 124.4523 62.5386 32.1346 175.8640 42 R 4.0020 8.4010 127.0961 56.0591 30.7175 175.3795 43 E 4.4691 8.6823 125.5383 55.9963 30.2901 176.1123 44 T 4.3919 8.4522 114.9304 61.8319 70.6795 174.8136 45 A 4.1244 7.6555 125.0429 51.1537 19.1551 175.6105 46 P 4.4039 0.0000 0.0000 62.2736 32.5360 177.1963 47 Q 3.7644 8.6770 120.5561 59.4632 28.6758 178.2508 48 D 4.4071 8.0256 118.4054 56.6973 38.8122 178.4555 49 V 3.7209 7.6005 119.1146 65.4615 31.5513 177.9556 50 I 2.0349 7.0659 119.0576 64.0977 36.6267 177.8872 51 D 4.4217 8.1231 118.3320 57.4688 40.6071 179.1222 52 G 4.2082 6.9858 107.1703 47.5958 0.0000 174.4990 53 Q 4.8327 8.0745 119.5915 53.3322 32.9075 176.6474 54 D 4.3546 8.5689 123.0107 57.6978 41.1767 179.0750 55 A 4.3131 8.1139 120.5186 54.5673 18.3862 179.4421 56 W 4.4602 8.1279 128.1420 59.9001 31.0854 177.9447 57 K 3.8338 7.8837 118.3277 59.4720 31.6222 178.0805 58 A 3.9880 8.4147 121.4784 55.6899 18.1960 178.9746 59 N 4.4784 8.1534 113.2992 55.5504 38.8619 177.0713 60 I 3.7747 7.4977 120.3443 64.6523 37.3790 177.3632 61 E 4.0918 7.9684 118.9193 58.7731 29.5842 178.6774 62 A 4.2736 7.8914 120.4905 52.1196 18.8768 178.5058 *64 K 4.2271 8.0768 122.3903 58.2067 34.4873 176.2331 65 D 4.5487 7.9328 116.2446 54.2965 41.4472 176.2843 66 V 3.8886 7.5398 120.3462 61.3233 31.9601 173.7497 67 P 4.5110 0.0000 0.0000 62.8020 32.6742 175.2449 68 E 4.6922 8.5233 120.2697 55.5519 30.4591 176.5435 69 A 4.1631 8.5542 126.3190 52.4670 19.0679 177.1427 70 T 4.9839 8.7755 109.8120 58.5000 72.3032 173.4526 71 P 4.3518 0.0000 0.0000 65.4141 31.2209 178.6045 72 A 4.0699 8.2201 119.6004 55.6598 18.2044 179.2864 73 D 4.6655 8.6027 117.4097 57.3321 40.6002 179.0213 74 L 4.2361 8.0170 118.6505 57.3979 41.9092 178.2401 75 E 4.0715 8.0537 118.5105 59.1770 29.6398 178.1234 76 W 4.4812 8.6287 126.8601 59.7506 31.1416 176.2142 77 A 3.7505 7.4787 120.0734 52.0796 18.8186 176.7334 78 E 4.4723 8.6730 119.9449 56.7151 31.9359 176.0077 79 A 5.3355 7.6991 119.7866 49.1432 22.4331 175.3460 80 I 5.2243 8.6131 120.6346 59.5736 41.8099 174.8083 81 V 4.3832 8.8846 124.8130 61.2947 34.8349 174.0709 82 F 5.6169 8.2739 126.7701 56.3256 41.6111 175.0533 83 S 4.8803 9.0841 116.6601 56.9249 65.5426 172.6007 84 S 5.2674 8.7296 121.1678 55.7525 66.0524 171.1574 85 P 5.1386 0.0000 0.0000 62.3644 32.3268 176.0252 86 T 4.1599 8.2543 111.9134 62.2738 69.5504 174.9271 87 R 4.0431 8.8066 123.6056 55.6676 30.7560 174.7087 88 F 3.7137 8.7108 125.2384 58.3739 36.4697 176.6756 89 G 3.9933 8.5791 106.9157 45.3320 0.0000 173.7838 90 G 4.2072 7.5298 107.4725 42.7461 0.0000 172.8525 91 A 4.4372 7.6398 122.2803 51.7112 18.9505 177.9302 92 T 4.0607 8.0260 110.2656 61.2497 69.5748 175.1782 93 S 4.1992 8.4564 117.2963 61.6976 63.4504 176.9545 94 Q 4.0502 7.6437 115.9809 56.6269 28.0518 178.0444 *96 R 4.2940 8.0870 119.5572 56.3049 32.1337 177.8181 97 A 3.9975 8.5372 119.1939 55.0158 18.5834 179.1248 98 F 4.2753 8.2971 119.1124 61.6799 39.6675 177.3013 99 I 3.7713 7.9918 118.8344 64.6207 36.6993 177.6145 100 D 4.5897 8.0498 118.2167 56.1563 40.7140 177.5059 101 T 4.4019 7.3134 109.7657 61.6122 69.2558 174.8360 102 L 4.5295 7.0915 118.9950 54.9097 42.2548 178.6344 103 G 3.8071 8.0544 108.9153 47.8119 0.0000 176.4617 104 G 3.6578 8.0319 107.5904 47.4483 0.0000 175.5740 105 L 3.9752 7.8199 122.3168 57.6497 42.2924 178.4749 106 W 4.0794 8.7967 128.6603 60.7798 30.2951 178.1171 107 S 3.9083 8.0493 114.7141 60.2383 62.3968 175.4056 108 S 4.6123 7.3372 115.6097 60.7978 64.8723 174.8947 109 G 3.5737 7.5550 108.0872 47.7875 0.0000 176.0326 110 K 4.4127 8.0258 121.4465 56.1108 32.1467 176.6489 111 L 4.3863 7.3965 117.4001 55.2349 43.2413 176.8794 112 A 4.2551 7.7389 119.5437 52.9957 18.6215 176.7897 113 N 4.3370 9.0572 116.5813 53.7813 37.0706 174.5846 114 K 4.7259 7.5738 118.7360 55.6270 33.7972 176.8341 115 T 5.1892 8.4454 114.1962 61.6567 70.5761 173.1906 116 F 5.3136 8.6000 123.7171 57.6567 43.4048 173.1847 117 S 5.0056 7.6616 118.6630 57.5771 67.1748 171.7722 118 A 4.9599 7.6730 119.1572 51.0897 21.4297 173.7087 *120 T 5.1305 8.3795 109.7579 63.1947 69.2296 173.4178 121 S 5.2595 8.2832 113.4059 57.8294 66.2764 173.1289 122 A 4.7973 8.8089 121.6566 50.9078 22.4362 177.4662 123 Q 4.0326 8.8881 120.6559 58.6223 29.1504 176.3886 124 N 5.0598 7.7151 113.8445 51.1335 41.1844 175.9242 125 V 3.8903 8.3193 119.7381 65.0123 31.8208 176.7500 126 N 4.9272 8.1596 114.0616 53.0366 39.4168 175.8777 127 G 3.8487 7.6149 108.1797 44.5278 0.0000 174.4957 128 G 4.1780 7.9134 101.8479 47.1984 0.0000 174.1942 129 Q 4.2495 8.2039 119.1999 57.1900 28.7734 176.9134 130 E 4.5834 8.0037 119.2653 58.1276 31.1570 177.9637 131 T 3.8178 7.7841 109.2268 65.3410 68.7944 176.3712 132 T 4.1063 7.7633 119.8268 65.4694 68.3257 176.6685 133 L 4.1990 7.8914 120.4666 57.8347 41.6841 178.8131 134 Q 4.0323 7.9085 118.5278 59.4381 28.9562 178.1836 135 T 3.9912 7.8932 109.7871 64.9478 68.8497 176.0845 136 L 4.1513 7.5574 120.4891 57.3627 41.5513 180.5594 137 Y 4.3645 8.0542 116.3104 57.9698 37.6881 177.9068 *139 T 3.9400 7.9547 116.9608 63.5369 70.6805 178.5110 140 A 3.1068 6.1122 125.5046 51.2770 16.9919 178.8915 *142 H 4.7534 8.1706 118.3923 56.7351 30.8869 174.9985 143 W 4.8322 7.5880 117.9749 56.6889 29.5924 176.6445 144 G 3.7117 8.2176 106.4669 46.5120 0.0000 173.5028 145 A 4.7248 7.8548 121.0818 51.3205 20.2609 177.9171 146 V 4.3258 8.8614 119.1368 61.3860 33.5513 174.4001 147 L 5.2663 8.6605 128.5535 53.4843 42.7666 177.3635 148 T 4.8617 8.5457 113.6836 59.6736 67.1561 172.1528 149 P 4.6245 0.0000 0.0000 62.2044 32.8952 175.6658 150 P 4.2754 0.0000 0.0000 63.9173 32.2925 177.4147 151 G 3.4310 7.8733 108.5424 47.0573 0.0000 174.6479 152 Y 4.8772 7.8507 112.6048 57.4100 38.3038 176.6095 153 T 4.1276 7.7474 108.3107 62.8343 70.1199 174.2422 154 D 4.6541 7.3332 121.3021 51.9074 44.2779 175.5001 155 E 4.4166 8.7988 124.3342 58.8709 29.8033 179.4066 156 V 3.6707 8.6809 119.9141 64.8759 31.3084 178.4344 157 I 3.7845 7.4234 121.3853 63.3724 36.7854 178.4561 158 F 4.2624 7.7307 118.2723 60.6726 38.8120 177.7768 159 K 4.1030 7.7234 116.0027 59.1324 31.8100 179.0253 160 S 4.3397 7.8385 113.0695 59.8638 62.4633 174.4107 161 G 4.0983 8.5415 118.6658 45.1735 0.0000 172.8116 162 G 3.7544 7.9031 109.0366 46.5345 0.0000 173.5344 163 N 4.4883 7.9712 119.6703 50.9685 38.7161 173.4004 164 P 4.0378 0.0000 0.0000 64.2456 31.9388 178.3462 165 Y 4.0550 7.4376 116.8993 59.0468 37.9396 176.1157 166 G 4.3811 7.2009 108.4599 44.5500 0.0000 172.1035 167 A 4.1861 9.1051 124.3018 52.0932 18.8828 177.5986 168 S 4.9521 8.3421 115.8204 56.9245 66.1152 173.5768 169 V 4.3182 8.5523 122.9285 61.8154 34.4265 174.7381 170 T 5.0144 8.2790 121.6167 61.3142 68.3713 172.7810 171 A 4.1343 8.9980 127.9582 51.5976 19.0132 177.2935 172 N 4.8698 8.4345 120.6154 52.7525 38.1599 175.2262 173 G 4.2795 8.6348 111.9935 46.7020 0.0000 175.1198 174 Q 4.0609 7.4424 118.7091 55.0561 29.5815 174.3179 175 P 4.2922 0.0000 0.0000 62.3462 31.9722 176.0720 176 L 3.9163 8.3865 122.8641 55.6073 42.5762 177.6335 177 L 4.3075 8.2279 124.8630 54.2630 43.7251 178.0725 178 E 3.9280 8.4725 120.3408 59.6449 29.9393 178.4626 179 N 4.4038 8.0723 115.4351 55.7362 38.5436 176.8997 180 D 4.3204 8.0213 120.6315 57.2566 41.0858 178.2225 181 R 3.8716 7.9760 118.0572 59.5876 30.2300 178.8221 182 A 4.0444 8.2304 120.3620 55.5012 17.8204 179.9516 183 S 4.1134 7.9463 113.0687 61.5979 62.8572 176.8183 184 I 3.7398 8.0806 122.9304 64.4088 36.8209 178.6408 185 R 3.8534 8.4185 119.0882 59.5664 29.8891 178.3792 186 H 4.0505 8.0915 117.8805 59.3746 29.7944 176.7171 187 Q 3.8620 8.0467 121.1106 59.2906 28.8413 178.7689 188 V 3.5189 7.5214 118.6422 65.8710 31.6293 177.6451 189 R 3.8253 7.9813 118.5344 59.6021 29.8767 178.0552 190 R 3.8151 8.0449 118.5495 59.7874 30.0374 178.2204 191 Q 3.9725 8.1083 119.0513 59.0544 29.0571 178.1411 192 V 3.6191 8.4816 119.7806 65.7692 31.4960 178.0140 193 E 3.9128 8.2402 118.3919 59.5245 29.5349 178.9639 194 L 3.9873 7.8246 118.9425 58.4528 41.6656 180.0217 195 T 3.8737 7.9630 115.0571 66.3676 68.3844 176.4988 196 A 3.9749 7.9174 122.7231 55.2884 18.4187 179.8853 197 K 3.8985 8.1548 116.7314 59.4532 32.1213 179.2486 198 L 3.9749 7.7471 119.0926 58.0589 41.4464 179.8324 199 L 3.9371 7.8979 118.2306 57.8581 41.4261 178.9865 200 E 4.1061 7.8800 117.2007 59.8696 29.5881 179.7330 201 G 3.8436 8.0631 103.9924 47.6920 0.0000 175.5083 202 G 3.7784 7.9694 107.2411 47.6824 0.0000 173.3985 203 S 4.2728 7.6691 119.3386 58.9204 63.3024 175.2117 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 3 A 8.25 4.28 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 4 P 0.00 4.36 0.00 2.18 2.16 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 5 V 8.99 3.99 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 0.90 0.00 0.00 0.96 0.00 0.00 6 K 9.14 4.30 0.00 0.92 0.74 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.97 1.20 7.81 7 L 9.09 5.06 0.00 1.74 1.60 0.98 0.93 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 8 A 8.91 5.36 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 9.18 4.84 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.97 0.00 0.00 10 V 9.05 4.76 1.80 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 0.19 0.00 0.00 0.97 0.00 0.00 11 F 8.71 5.52 0.00 3.22 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 12 Y 9.21 4.56 0.00 2.83 2.85 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 13 S 6.95 4.36 0.00 3.93 3.65 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 14 S 8.52 3.81 0.00 3.45 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 15 T 7.58 4.75 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 1.06 0.00 0.00 16 G 8.23 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.25 3.82 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 18 G 8.26 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 0.00 0.00 0.00 19 Y 8.18 3.97 0.00 3.04 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 20 A 8.43 3.44 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 *22 A 8.02 4.11 0.65 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 0.00 0.00 23 Q 7.62 3.81 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 24 E 7.87 3.83 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 25 A 7.77 3.96 1.29 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 26 A 8.13 3.97 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 27 E 8.36 3.90 0.00 1.95 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 2.49 2.42 0.00 28 A 7.99 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.08 3.50 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 0.00 0.00 0.00 30 R 8.66 4.17 0.00 1.97 1.95 0.00 3.16 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 31 A 8.50 4.04 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 32 A 7.48 4.33 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 33 G 7.76 3.96 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 0.00 0.00 0.00 34 A 8.14 4.42 1.29 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 35 E 9.67 4.55 0.00 2.09 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 0.00 2.73 2.43 0.00 36 V 8.50 5.08 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 0.94 0.00 0.00 1.01 0.00 0.00 37 R 9.38 4.53 0.00 1.78 1.71 0.00 2.21 0.00 0.00 2.55 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.00 38 L 8.56 4.82 0.00 1.67 1.63 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.28 5.03 0.00 1.59 1.39 1.02 0.49 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 40 K 8.80 3.64 0.00 1.19 1.52 0.00 1.12 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.18 7.81 41 V 7.69 3.65 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 0.72 0.00 0.00 0.57 0.00 0.00 42 R 8.40 4.00 0.00 1.96 1.84 0.00 3.31 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 43 E 8.68 4.47 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 44 T 8.45 4.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 45 A 7.66 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.40 0.00 2.44 2.16 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 47 Q 8.68 3.76 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 48 D 8.03 4.41 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 49 V 7.60 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.67 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 T 8.38 5.13 4.31 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 0.00 0.00 0.00 1.30 0.00 0.00 121 S 8.28 5.26 0.00 3.90 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 0.00 122 A 8.81 4.80 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 0.00 123 Q 8.89 4.03 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 124 N 7.72 5.06 0.00 2.86 2.70 0.00 0.00 6.75 7.68 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 0.00 125 V 8.32 3.89 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 126 N 8.16 4.93 0.00 2.75 2.81 0.00 0.00 6.82 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.61 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 0.00 0.00 0.00 128 G 7.91 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 0.00 0.00 0.00 0.00 129 Q 8.20 4.25 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.65 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 130 E 8.00 4.58 0.00 2.09 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 0.00 2.66 2.49 0.00 131 T 7.78 3.82 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 132 T 7.76 4.11 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 0.00 133 L 7.89 4.20 0.00 2.02 2.08 1.24 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 7.91 4.03 0.00 1.81 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 135 T 7.89 3.99 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 0.00 136 L 7.56 4.15 0.00 1.95 1.87 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.05 4.36 0.00 2.90 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 *139 T 7.95 3.94 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 0.54 0.00 0.00 140 A 6.11 3.11 -0.21 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 *142 H 8.17 4.75 0.00 3.21 3.52 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 W 7.59 4.83 0.00 3.57 3.10 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 0.00 144 G 8.22 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.85 4.72 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 0.00 146 V 8.86 4.33 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 1.01 0.00 0.00 0.97 0.00 0.00 147 L 8.66 5.27 0.00 1.68 1.91 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.55 4.86 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 1.26 0.00 0.00 149 P 0.00 4.62 0.00 2.23 1.73 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 150 P 0.00 4.28 0.00 2.17 2.36 0.00 4.02 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 151 G 7.87 3.43 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 0.00 152 Y 7.85 4.88 0.00 3.03 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.75 4.13 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 1.23 0.00 0.00 154 D 7.33 4.65 0.00 2.44 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 0.00 0.00 0.00 0.00 155 E 8.80 4.42 0.00 2.16 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 2.51 2.47 0.00 156 V 8.68 3.67 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 0.68 0.00 0.00 0.97 0.00 0.00 157 I 7.42 3.78 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.75 0.00 0.00 158 F 7.73 4.26 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.72 4.10 0.00 1.76 1.92 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.53 7.81 160 S 7.84 4.34 0.00 4.02 4.11 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 0.00 161 G 8.54 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 0.00 162 G 7.90 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 0.00 0.00 0.00 163 N 7.97 4.49 0.00 2.72 2.76 0.00 0.00 6.84 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 0.00 164 P 0.00 4.04 0.00 1.58 0.91 0.00 3.08 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 0.61 1.20 0.00 165 Y 7.44 4.06 0.00 3.15 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 0.00 166 G 7.20 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 9.11 4.19 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 0.00 168 S 8.34 4.95 0.00 3.87 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 0.00 169 V 8.55 4.32 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 0.95 0.00 0.00 0.93 0.00 0.00 170 T 8.28 5.01 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 1.29 0.00 0.00 171 A 9.00 4.13 1.20 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 0.00 0.00 172 N 8.43 4.87 0.00 2.76 2.83 0.00 0.00 6.34 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 8.63 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 7.44 4.06 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 175 P 0.00 4.29 0.00 2.06 1.97 0.00 3.75 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 2.02 2.08 0.00 176 L 8.39 3.92 0.00 1.54 1.55 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.23 4.31 0.00 1.96 1.58 0.92 0.85 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 0.00 178 E 8.47 3.93 0.00 2.07 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 2.45 0.00 179 N 8.07 4.40 0.00 2.78 2.86 0.00 0.00 7.11 8.08 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 0.00 180 D 8.02 4.32 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 7.98 3.87 0.00 2.03 1.98 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 182 A 8.23 4.04 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 0.00 183 S 7.95 4.11 0.00 4.13 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 0.00 184 I 8.08 3.74 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.89 0.00 0.00 185 R 8.42 3.85 0.00 1.96 1.97 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 186 H 8.09 4.05 0.00 3.27 3.46 0.00 5.79 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 0.00 187 Q 8.05 3.86 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 188 V 7.52 3.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.91 0.00 0.00 189 R 7.98 3.83 0.00 1.99 2.01 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 190 R 8.04 3.82 0.00 1.68 2.01 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 191 Q 8.11 3.97 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 192 V 8.48 3.62 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 193 E 8.24 3.91 0.00 2.20 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 0.00 2.32 2.57 0.00 194 L 7.82 3.99 0.00 1.85 1.75 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 195 T 7.96 3.87 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 1.19 0.00 0.00 196 A 7.92 3.97 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 0.00 197 K 8.15 3.90 0.00 1.96 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 198 L 7.75 3.97 0.00 1.96 1.74 0.93 0.56 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 0.00 199 L 7.90 3.94 0.00 1.81 1.68 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 200 E 7.88 4.11 0.00 2.08 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 2.35 2.42 0.00 201 G 8.06 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 0.00 0.00 0.00 0.00 202 G 7.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 7.67 4.27 0.00 3.74 3.65 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 * Residues marked with a * may have inaccurate shift predictions.