NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2350 8.2985 120.2459 56.2663 30.7480 176.3219 2 A 4.0022 8.5411 126.2293 53.4568 19.0369 176.6213 3 A 4.1023 7.9225 118.0518 53.9813 20.6069 175.8152 4 V 4.6688 7.5004 116.1725 61.9939 32.5067 175.7033 5 T 4.7111 9.0589 118.8841 60.0990 71.3306 173.1327 6 Q 5.3119 8.8653 124.5660 54.4901 31.7022 175.0165 7 S 4.6987 9.0899 116.2201 56.4844 66.0518 172.3886 8 P 4.8581 0.0000 0.0000 61.6366 33.5442 175.1914 9 R 4.2654 8.4448 117.1729 58.4336 31.2138 175.9670 10 N 5.5771 8.0324 114.4750 51.2436 42.0918 174.2029 11 K 4.5944 9.1092 123.7491 54.9173 36.2204 174.6058 12 V 4.8702 8.5400 126.4686 61.0590 33.6268 174.2971 13 A 5.0178 9.1653 129.1090 50.2427 22.5243 175.3788 14 V 4.5831 8.2542 112.4646 59.9261 34.1460 176.2727 15 T 4.0540 8.1667 120.4032 65.5930 68.6891 175.2551 16 G 4.1575 8.9927 115.6167 44.4501 0.0000 173.5749 17 E 4.0027 8.1197 121.0482 56.3184 30.9761 175.8241 18 K 4.9014 8.4419 126.9279 54.7910 33.1342 175.5753 19 V 4.3462 8.5681 128.1960 61.3749 34.2307 174.6758 20 T 4.8357 8.1803 122.8423 61.6275 71.2270 173.3322 21 L 4.1873 8.2791 127.6574 54.2689 43.1329 176.4301 22 S 5.2309 8.9423 119.0603 56.9133 66.1099 172.3124 23 C 5.5021 8.9851 122.5334 54.8518 45.9953 172.0615 24 N 6.3000 9.4744 123.7778 50.7521 41.9929 172.8232 25 Q 5.6700 8.9776 123.0114 53.1309 31.6247 175.2709 26 T 4.6521 8.4477 114.4433 61.7211 68.2231 174.8799 27 N 4.3946 8.4090 119.2779 53.7894 39.2947 175.6030 28 N 4.1084 7.9955 115.1069 54.7717 37.3359 173.2621 29 H 4.8737 7.6243 109.1228 54.6672 30.0998 175.4051 30 N 4.5758 8.6640 119.2731 55.3209 39.4905 175.0748 31 N 5.4630 7.7608 116.1174 52.1386 40.0862 174.7119 32 M 5.3681 7.7949 121.4564 53.9118 36.8429 173.7399 33 Y 5.5398 9.4198 118.2820 56.3911 43.5014 174.4812 34 W 5.3909 9.6005 120.3838 55.7143 32.7405 174.3400 35 Y 5.5212 10.2374 123.0010 56.1628 41.4382 175.0751 36 R 5.0574 9.1074 116.6012 54.6001 33.2549 173.8828 37 Q 4.9867 9.3643 123.2932 53.8658 32.3823 175.0778 38 D 5.1563 8.4293 127.4373 52.8230 39.8311 176.1227 39 T 4.2581 8.4598 104.7812 63.3845 70.5573 173.9353 40 G 3.9658 8.4513 109.0525 46.5923 0.0000 174.4485 41 H 4.7546 7.3666 117.6704 54.6265 29.1882 174.2408 42 E 3.9928 8.8972 124.9731 58.1234 29.9179 177.5244 43 L 4.7745 8.4734 126.3378 54.1028 43.2465 176.1269 44 R 4.8709 9.1098 122.3735 53.9994 33.6682 174.9598 45 L 3.6674 8.5549 125.5552 55.6075 42.9573 176.3609 46 I 4.1169 9.0747 127.6582 62.9868 38.5407 175.0963 47 Y 5.3245 7.8117 118.0424 56.9439 42.7712 172.9686 48 Y 5.5207 9.0027 119.5850 56.0436 42.7082 173.6014 49 S 4.3784 8.2329 113.4201 57.1034 65.5438 174.1872 50 Y 4.5208 8.6854 123.8100 58.4672 38.3088 175.5918 51 G 4.0609 7.2535 107.3452 43.5495 0.0000 171.3777 52 A 4.2031 8.0165 122.5142 54.0636 18.3912 178.2307 53 G 3.9801 9.0293 111.8458 44.9681 0.0000 173.3053 54 S 4.6799 7.8602 114.8411 57.5982 63.7044 174.0903 55 T 4.5779 8.3490 122.9600 62.6323 71.7017 172.7615 56 E 4.5472 8.8927 126.9937 53.8146 32.4647 176.2308 57 K 2.9360 8.5271 123.9980 55.5176 32.6147 177.4190 58 G 4.2336 8.4256 116.2577 47.0499 0.0000 175.4813 59 D 4.8186 9.1580 123.3896 54.6238 41.6605 177.0125 60 I 4.6953 7.1007 110.7465 58.8889 37.1698 173.2583 61 P 4.6154 0.0000 0.0000 64.1790 32.4339 177.1048 62 D 4.3609 7.9758 120.4874 55.9432 41.2533 176.6364 63 G 3.6240 8.7291 112.5553 45.5434 0.0000 172.1243 *65 Y 5.2791 7.2542 115.4794 57.9996 39.3887 174.3509 66 K 4.5928 8.7567 121.6936 54.6624 36.1136 174.7369 67 A 4.8014 7.6806 125.3098 50.2984 22.9247 175.3513 68 S 4.4079 8.5626 113.1822 56.8781 66.2259 173.8344 69 R 5.5746 8.6978 127.9307 53.0869 28.4556 173.9032 70 P 4.2793 0.0000 0.0000 65.1230 31.9026 176.7550 71 S 4.6062 7.4872 110.1157 56.6432 66.0117 172.8447 72 Q 4.0435 8.9002 120.4838 59.5416 28.8353 177.3242 73 E 4.4798 8.1184 113.1956 56.3314 30.6167 174.5461 74 N 6.0864 7.8458 117.6826 50.7516 41.6254 173.1968 75 F 5.4055 8.9881 125.3556 56.7425 42.8143 173.0129 76 S 5.1361 9.0537 121.5043 56.4416 65.7311 172.6589 77 L 4.4430 7.5827 125.0352 53.4219 44.1413 174.9565 78 T 4.8220 8.6815 122.4185 61.6963 71.9599 173.0727 79 L 4.5078 8.9349 127.5683 53.4332 41.8719 176.8474 80 E 3.7912 8.7735 126.6078 59.0493 31.0726 176.1580 81 S 4.8746 7.8447 115.4686 56.2146 64.7806 172.3168 82 A 4.4868 9.0560 128.7229 52.1378 19.3762 176.0677 83 T 4.7934 8.4273 114.7719 59.6382 70.9608 172.7915 84 P 4.4410 0.0000 0.0000 65.7508 31.5561 178.6299 85 S 4.2442 8.0292 111.1655 60.6605 63.0849 174.7622 86 Q 4.4420 8.5598 119.6527 56.3080 28.9178 174.9081 87 T 4.3290 7.8207 114.9560 62.5057 68.0422 173.5038 88 S 4.5115 8.4785 122.0854 58.3571 67.6144 174.1095 89 V 4.7068 7.9755 120.9942 61.5253 33.0078 174.2645 90 Y 5.1446 9.0841 126.7646 56.8191 39.8500 174.7135 91 F 5.6541 9.8359 122.7979 55.9368 42.6873 173.3401 92 C 4.9441 9.7393 123.0474 54.7155 43.7584 172.3431 93 A 5.1630 8.5868 125.8150 50.3789 22.6722 174.8770 94 S 5.2956 8.6601 113.5350 56.9106 67.1444 173.1366 95 G 4.2323 8.9631 104.1220 45.3610 0.0000 174.3690 96 G 4.0138 8.6451 112.2268 44.9624 0.0000 174.0981 97 G 3.9494 8.3040 107.1908 46.8069 0.0000 172.8645 98 G 3.7790 8.3592 113.3559 45.8408 0.0000 176.7083 *105 T 3.8939 8.5523 115.9022 62.9206 69.4709 172.4846 106 L 4.6174 7.9208 124.4093 53.0662 44.0279 175.2253 107 Y 4.7995 8.7791 121.6060 56.3580 40.2413 175.0615 108 F 5.1143 9.1832 122.8632 56.1033 41.1521 175.9185 109 G 4.1404 9.2064 109.5625 45.1412 0.0000 174.7120 110 A 4.0889 8.7341 122.2567 53.5679 18.5942 178.9281 111 G 3.7963 8.2165 101.5644 45.5611 0.0000 173.3148 112 T 4.6700 8.6078 116.5806 61.4148 72.0181 173.4409 113 R 4.5210 9.2905 129.2540 55.6141 31.4799 174.7787 114 L 5.2525 8.9508 129.4129 53.4776 44.6693 175.1384 115 S 5.1041 9.0350 122.2725 56.6806 66.3070 173.1411 116 V 4.7922 8.3604 122.8348 61.1220 33.5027 174.2393 117 L 4.6494 8.8324 131.1442 53.3568 43.7555 176.6004 118 S 5.0576 8.5341 119.2099 58.1122 63.2402 173.8670 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 E 8.30 4.23 0.00 2.06 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 1.81 1.47 0.00 2 A 8.54 4.00 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 3 A 7.92 4.10 1.22 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 0.00 0.00 4 V 7.50 4.67 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 0.85 0.00 0.00 1.00 0.00 0.00 5 T 9.06 4.71 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 1.23 0.00 0.00 6 Q 8.87 5.31 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 7 S 9.09 4.70 0.00 3.88 3.69 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 8 P 0.00 4.86 0.00 2.35 2.07 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 9 R 8.44 4.27 0.00 2.00 1.98 0.00 3.40 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 10 N 8.03 5.58 0.00 2.60 2.67 0.00 0.00 6.58 7.61 0.00 0.00 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 K 9.11 4.59 0.00 1.80 1.56 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.39 7.81 12 V 8.54 4.87 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 0.90 0.00 0.00 0.94 0.00 0.00 13 A 9.17 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.25 4.58 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 0.67 0.00 0.00 0.94 0.00 0.00 15 T 8.17 4.05 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 1.26 0.00 0.00 16 G 8.99 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 17 E 8.12 4.00 0.00 2.11 1.84 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 2.26 2.23 0.00 18 K 8.44 4.90 0.00 1.75 1.66 0.00 1.56 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.31 7.81 19 V 8.57 4.35 1.94 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 0.56 0.00 0.00 0.85 0.00 0.00 20 T 8.18 4.84 4.15 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 1.10 0.00 0.00 21 L 8.28 4.19 0.00 0.55 1.18 -0.12 0.30 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 22 S 8.94 5.23 0.00 3.82 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 23 C 8.99 5.50 0.00 2.92 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 24 N 9.47 6.30 0.00 2.98 2.62 0.00 0.00 6.57 6.74 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 25 Q 8.98 5.67 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.32 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 26 T 8.45 4.65 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 27 N 8.41 4.39 0.00 2.64 2.10 0.00 0.00 6.71 6.52 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 28 N 8.00 4.11 0.00 2.81 2.89 0.00 0.00 7.03 7.89 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 29 H 7.62 4.87 0.00 3.35 3.32 0.00 5.72 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 30 N 8.66 4.58 0.00 2.81 3.06 0.00 0.00 6.98 6.92 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 31 N 7.76 5.46 0.00 2.88 2.53 0.00 0.00 6.48 7.55 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 32 M 7.79 5.37 0.00 1.80 1.30 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 33 Y 9.42 5.54 0.00 2.98 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 34 W 9.60 5.39 0.00 3.46 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 10.24 5.52 0.00 3.21 3.06 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 36 R 9.11 5.06 0.00 1.27 1.45 0.00 2.62 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 1.47 1.51 0.00 37 Q 9.36 4.99 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 38 D 8.43 5.16 0.00 2.77 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 39 T 8.46 4.26 4.37 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 1.23 0.00 0.00 40 G 8.45 3.97 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 0.00 41 H 7.37 4.75 0.00 3.18 3.18 0.00 5.88 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 42 E 8.90 3.99 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 43 L 8.47 4.77 0.00 1.50 1.73 0.64 0.40 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 44 R 9.11 4.87 0.00 1.77 1.85 0.00 3.17 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 1.72 1.59 0.00 45 L 8.55 3.67 0.00 1.41 1.43 0.41 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 I 9.07 4.12 2.04 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.62 0.59 0.00 0.00 47 Y 7.81 5.32 0.00 2.90 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 48 Y 9.00 5.52 0.00 2.45 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 49 S 8.23 4.38 0.00 3.11 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 50 Y 8.69 4.52 0.00 3.01 2.89 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 51 G 7.25 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 0.00 0.00 0.00 52 A 8.02 4.20 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 53 G 9.03 3.98 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 0.00 0.00 0.00 54 S 7.86 4.68 0.00 3.93 3.98 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 55 T 8.35 4.58 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 1.32 0.00 0.00 56 E 8.89 4.55 0.00 1.16 1.13 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 1.72 1.74 0.00 57 K 8.53 2.94 0.00 1.44 1.41 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.99 1.32 7.81 58 G 8.43 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 59 D 9.16 4.82 0.00 2.61 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 60 I 7.10 4.70 1.98 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 1.66 0.69 0.96 0.00 0.00 61 P 0.00 4.62 0.00 2.03 1.86 0.00 3.78 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 1.96 1.86 0.00 62 D 7.98 4.36 0.00 2.71 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 63 G 8.73 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.25 5.28 0.00 3.33 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 66 K 8.76 4.59 0.00 1.73 1.46 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.14 1.28 7.81 67 A 7.68 4.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.56 4.41 0.00 3.84 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 5.57 0.00 2.08 1.84 0.00 3.66 0.00 0.00 2.94 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 70 P 0.00 4.28 0.00 2.24 2.21 0.00 4.17 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 2.05 2.02 0.00 71 S 7.49 4.61 0.00 4.01 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 0.00 72 Q 8.90 4.04 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 73 E 8.12 4.48 0.00 2.25 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 0.00 2.34 2.28 0.00 74 N 7.85 6.09 0.00 2.81 2.81 0.00 0.00 6.54 8.01 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 75 F 8.99 5.41 0.00 2.97 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 76 S 9.05 5.14 0.00 3.92 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 77 L 7.58 4.44 0.00 0.27 0.13 0.64 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.68 4.82 4.09 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 1.10 0.00 0.00 79 L 8.93 4.51 0.00 1.46 1.48 0.77 0.55 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 80 E 8.77 3.79 0.00 2.02 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 2.34 2.34 0.00 81 S 7.84 4.87 0.00 3.83 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 9.06 4.49 1.25 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 0.00 0.00 0.00 83 T 8.43 4.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 84 P 0.00 4.44 0.00 2.21 2.12 0.00 3.64 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 2.12 2.10 0.00 85 S 8.03 4.24 0.00 3.99 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 86 Q 8.56 4.44 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 87 T 7.82 4.33 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 88 S 8.48 4.51 0.00 3.97 3.39 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 89 V 7.98 4.71 2.17 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 0.53 0.00 0.00 0.94 0.00 0.00 90 Y 9.08 5.14 0.00 2.99 3.12 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 91 F 9.84 5.65 0.00 3.30 3.25 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 0.00 92 C 9.74 4.94 0.00 1.23 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 93 A 8.59 5.16 0.09 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 94 S 8.66 5.30 0.00 3.97 3.98 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 95 G 8.96 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 96 G 8.65 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 97 G 8.30 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 98 G 8.36 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 *105 T 8.55 3.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 106 L 7.92 4.62 0.00 1.22 1.22 0.56 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.78 4.80 0.00 2.86 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 0.00 108 F 9.18 5.11 0.00 2.77 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 0.00 109 G 9.21 4.14 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 0.00 0.00 0.00 110 A 8.73 4.09 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 0.00 111 G 8.22 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.61 4.67 4.37 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 1.28 0.00 0.00 113 R 9.29 4.52 0.00 1.86 2.00 0.00 3.20 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 114 L 8.95 5.25 0.00 1.81 1.71 0.91 0.35 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 0.00 115 S 9.04 5.10 0.00 3.80 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 V 8.36 4.79 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 0.76 0.00 0.00 0.97 0.00 0.00 117 L 8.83 4.65 0.00 1.78 1.51 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.53 5.06 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.