NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1352 8.2644 123.5791 52.1734 20.7560 176.4894 *2 T 4.1350 7.5724 109.3359 62.2265 68.1090 173.0520 3 T 4.4891 8.2618 115.1525 61.4635 69.2886 173.5708 4 Y 4.3646 7.7718 120.2746 58.3547 38.4507 175.4718 5 T 4.4582 8.5310 113.2457 61.4712 69.3552 174.2337 6 S 4.6402 7.4657 115.1423 56.3572 65.2562 175.4523 7 I 3.5344 8.3318 119.9304 63.5870 37.4197 178.0012 8 A 3.9269 8.0923 122.4574 55.5285 18.0922 179.1798 9 N 4.3063 7.7282 114.3211 56.2731 38.5182 177.9273 10 V 2.9932 7.1989 119.1437 65.7325 31.4782 177.9074 11 I 3.5344 7.4410 118.3175 64.5107 37.0703 178.4096 12 K 4.0459 8.1442 118.0247 58.6894 31.9531 178.5175 13 E 4.2617 7.7282 117.1859 55.9602 30.3748 176.7287 14 R 2.0000 6.7150 119.0704 56.0177 30.3936 175.6841 15 R 4.4370 6.1024 122.4951 53.8912 33.4785 175.4044 16 S 4.4247 8.4717 117.5340 58.4726 63.3229 173.8521 17 V 4.2387 8.2969 125.4619 61.0839 32.9856 175.3096 18 R 4.4317 8.2420 123.9133 55.9330 32.3210 175.9033 19 T 4.3188 7.0129 113.3874 61.3072 71.7306 173.0791 20 F 5.2266 8.3384 123.5814 55.5722 42.3896 175.0878 21 T 4.2989 8.4946 114.1629 61.4526 69.3579 174.0804 22 D 4.6278 8.5093 119.4994 54.2916 41.4302 176.0813 23 K 3.8879 7.5485 118.4103 57.1309 32.5639 176.3263 24 A 4.2171 8.5352 128.8777 52.0925 19.0508 176.5514 25 V 4.5328 8.0790 120.4408 60.6226 33.6544 175.3767 26 E 4.0930 8.8249 127.2636 56.1461 30.0137 177.7025 27 K 3.9420 8.8761 125.1021 59.7745 32.1604 178.4526 28 D 4.3926 8.0846 118.7322 56.9862 40.6824 178.2841 29 L 3.9457 7.7944 120.4094 58.2675 42.2445 178.7253 30 L 4.0910 7.8536 118.7925 58.1106 41.4937 179.7497 31 I 3.7616 7.8680 119.6469 64.1243 37.0138 178.0406 32 E 3.9498 8.5011 120.4588 59.3474 29.4361 178.8459 33 L 3.9950 8.1801 119.0811 57.8447 41.5714 179.4712 34 L 4.0211 8.2312 118.8290 58.0858 41.3700 179.4028 35 N 4.4413 8.2648 115.2261 56.4600 38.7839 176.9262 36 D 4.6924 8.3968 120.2125 57.3519 40.7047 178.6140 37 A 4.0271 8.1210 120.8348 55.0749 18.5243 179.3590 38 T 3.3039 7.7687 108.0116 63.5640 68.4032 176.0255 39 W 4.5266 7.7197 119.8074 57.0187 28.5849 176.2990 40 A 4.3735 7.4144 121.5193 50.8926 18.4520 176.7703 41 P 4.5175 0.0000 0.0000 63.0498 32.1930 176.4642 42 N 4.6931 8.5095 117.7783 52.0538 38.6893 173.3448 43 H 4.3221 8.9506 123.8180 57.5537 30.3884 175.0621 44 K 3.7126 9.0115 123.0142 56.6740 29.6713 174.4266 45 H 4.1407 7.9635 115.6967 57.2011 28.6168 176.2617 46 R 3.7232 7.5883 117.7864 56.9723 30.6564 177.0723 47 E 2.0000 8.1757 117.4939 56.1566 26.9349 174.0758 48 P 3.9047 0.0000 0.0000 63.5446 32.5095 177.7809 49 W 4.0499 5.6352 117.3431 56.6387 28.6447 175.0295 50 N 4.9164 8.2976 117.0822 51.9690 42.7543 173.1160 51 C 5.4305 8.4053 117.1096 58.0529 32.7884 173.6443 52 K 4.4858 9.1825 120.7378 54.6056 34.9729 174.8224 53 L 4.9399 8.3862 127.5602 53.7139 43.6178 174.8194 54 Y 4.6815 9.3902 124.9251 56.3170 40.3023 174.7742 55 I 4.8207 8.0379 123.5015 59.0800 42.1311 175.8109 56 G 3.8007 9.0364 115.8211 46.5364 0.0000 177.2774 57 E 4.0605 8.8838 121.7040 58.5281 29.7890 179.1379 58 G 3.8396 8.1411 106.8599 48.0222 0.0000 175.7280 59 R 4.1560 8.0102 119.9736 59.1074 29.9119 179.1917 60 K 4.1172 8.1173 118.2240 59.0879 31.9461 179.3689 61 K 3.9373 7.9664 118.7475 59.3508 31.9897 178.9407 62 L 3.5702 7.7576 119.8308 58.1191 42.0052 178.7412 63 V 3.1730 8.0669 118.5307 66.0386 31.2505 177.4017 64 D 4.1913 8.3550 117.5977 57.2687 40.8586 178.0334 65 A 3.9250 7.6690 119.9625 55.0923 18.6406 179.4507 66 V 3.5756 7.9409 116.7000 66.2897 31.7233 178.2882 67 L 3.3439 7.8697 118.9037 57.6112 41.1962 179.2380 68 N 4.4948 8.1605 115.5824 55.3227 38.5433 176.6288 69 S 4.5499 7.6577 114.1172 58.4207 63.8692 174.2410 70 F 5.1070 7.3770 120.6557 55.9443 40.2136 176.0701 71 T 4.2899 8.5606 112.8534 61.4834 70.9262 175.4772 72 E 3.9797 8.7194 121.1554 59.2809 29.4156 179.3768 73 E 3.9057 8.1136 119.1284 59.2629 29.3228 178.3018 74 E 3.8491 7.9344 118.0168 59.5841 29.4854 179.2486 75 R 4.0987 8.3199 117.7887 59.7136 30.0203 178.8350 76 A 3.9906 7.8616 118.7106 54.9767 18.4167 179.4295 77 K 4.0238 7.8813 116.9886 59.5961 32.7786 178.6721 78 R 4.5045 8.8618 118.0270 57.3880 30.7737 178.7342 79 G 3.8276 8.3019 106.1957 47.8525 0.0000 175.6268 80 K 3.9695 7.9576 121.4001 59.2370 32.5082 178.9158 81 I 3.7579 7.7130 113.0135 63.7060 37.5060 177.8247 82 L 3.9841 8.4195 122.5066 58.1441 41.9454 179.0306 83 S 4.0448 7.9183 115.0204 61.8497 62.5781 176.4100 84 D 4.4440 8.0773 120.2332 57.4126 40.8717 178.8065 85 R 4.2553 7.8557 119.9017 59.0057 30.2812 178.5476 86 F 4.1920 8.7804 117.7261 60.4653 38.7536 177.0383 87 L 4.4967 8.4752 116.6096 55.6794 41.8598 178.0585 88 S 4.9948 7.8408 113.9665 57.2328 63.2116 173.0410 89 T 4.6003 7.3266 119.2457 61.5800 69.5371 172.3536 90 P 4.3318 0.0000 0.0000 65.5266 31.7494 176.6621 91 A 4.9344 7.5287 117.5338 50.6415 23.0906 175.3736 92 Q 4.8949 9.0662 119.6975 54.0281 32.7417 174.7304 93 I 4.8619 8.7874 124.2720 59.4107 40.2075 175.0500 94 V 4.3701 8.8599 128.9319 62.5292 32.5152 174.8154 95 V 4.7848 8.6596 129.4510 61.9236 33.2666 174.2800 96 Y 5.3616 8.5681 126.1539 55.0932 41.5708 172.8106 *98 N 4.9379 8.6810 115.1488 53.6869 39.9161 174.2065 99 E 4.2625 9.5306 124.8297 55.7494 30.0337 176.5463 100 D 4.4912 8.7375 125.2170 53.1674 41.9559 174.4918 101 P 4.3993 0.0000 0.0000 64.4691 31.7331 176.1564 102 R 4.5590 8.2845 119.8867 54.4122 32.0199 176.3008 103 Q 3.9503 8.8754 123.9719 59.5970 29.0023 178.6583 104 I 3.6714 7.7986 119.8391 64.7878 37.1370 178.2710 105 Q 4.1786 8.0153 117.9347 58.8714 28.5706 178.4535 106 R 3.9180 8.2068 119.9065 59.8232 30.0520 178.2230 107 D 4.4187 8.6159 118.7361 57.4154 40.7386 178.6123 108 E 4.0388 8.3123 119.0128 59.7334 29.5094 179.2502 109 D 4.3523 8.4536 119.0306 57.3545 40.7464 178.2960 110 Y 4.0200 8.3692 120.0018 60.5861 38.7941 177.7490 111 A 4.1300 8.6763 121.9039 55.2560 18.4855 179.0945 112 A 4.2660 8.4161 119.6523 56.1941 18.1955 180.1057 113 T 4.1912 7.8988 112.5807 67.0528 68.5600 176.5408 114 C 4.5060 8.3020 117.9518 62.7125 28.3837 175.6808 115 A 4.2842 8.4408 122.7714 54.9608 17.9273 179.5848 116 F 4.1437 8.3786 115.9420 59.6475 39.4223 176.3483 *118 Q 4.3280 7.9962 119.8215 55.9393 30.8593 176.7879 119 N 4.2602 8.3574 115.4450 56.4432 38.4686 177.0584 120 F 3.7978 7.9668 121.7991 61.1774 39.2945 177.0011 121 Q 3.9196 8.0373 117.1749 59.0850 28.5656 178.8964 122 L 3.9937 7.7078 119.3061 57.6008 41.8159 179.3719 123 L 3.8902 8.0255 119.0082 57.7396 41.5581 179.5753 124 A 3.8076 7.7133 120.7015 54.6970 18.1917 179.2346 125 W 4.2447 8.3412 127.2126 60.7660 30.4773 177.4007 126 E 4.0970 8.0652 117.9279 59.6147 29.0915 178.4007 127 R 4.3516 7.3655 112.9918 56.0323 30.2775 177.3730 128 G 3.6649 8.0021 107.5020 45.1733 0.0000 172.9862 129 L 4.1964 7.7845 122.3670 53.7990 42.7182 176.5315 130 G 4.3375 9.4145 114.5737 45.7489 0.0000 171.8391 131 C 5.6663 8.2908 114.0953 57.3277 33.1385 172.7578 132 V 4.7909 8.8028 118.8464 59.6794 34.3316 174.6919 133 W 4.9308 9.0842 134.3762 56.6165 30.9100 175.1502 134 K 4.7218 9.6321 128.6549 55.6473 33.4221 176.5432 135 S 5.1480 8.7292 117.9836 56.3444 66.8645 171.8034 136 G 3.8678 9.2986 104.7037 44.4235 0.0000 174.7782 137 G 3.7776 8.7709 106.4632 48.1530 0.0000 175.7070 138 L 3.9650 8.2399 121.9331 58.2980 42.0511 178.5588 139 N 4.6396 8.3178 113.8976 55.3917 38.4773 175.1829 140 Y 4.4742 7.9889 114.2932 57.5922 39.0655 175.5989 141 N 4.6929 8.2284 120.2106 52.5400 39.9431 173.7555 142 P 4.3757 0.0000 0.0000 65.5156 31.6034 178.6316 143 L 4.0963 7.9693 117.7428 57.3268 41.6103 179.0664 144 F 4.1444 8.2089 120.2857 61.3224 39.4994 176.8373 145 I 3.4278 7.8201 119.4253 64.4236 36.9258 177.9055 146 E 4.0487 8.1602 119.8335 59.3958 29.2803 178.8447 147 G 3.6776 7.5700 104.2469 47.5570 0.0000 174.5235 148 I 4.1273 7.1504 112.1217 60.5122 37.9586 176.4383 149 G 3.7860 8.3536 108.9626 45.9148 0.0000 173.5417 150 L 4.3922 7.5419 118.8851 53.3924 42.6759 176.4622 151 T 4.4610 8.7769 112.4723 59.3456 71.0009 174.1933 152 R 3.9214 8.1843 117.9182 57.6780 29.7834 176.9377 153 G 3.8473 8.9722 107.2157 45.8862 0.0000 172.6142 154 Q 4.6918 7.5835 117.3286 53.7900 30.2527 175.0904 155 R 4.3467 8.4810 124.0570 55.0608 31.1624 175.1661 156 I 4.5901 8.2191 126.4800 61.0289 37.8056 175.7771 157 V 4.1280 8.6517 126.2838 64.5046 32.4107 175.9432 158 G 4.2942 7.4167 105.1330 45.8842 0.0000 172.2942 159 I 5.0956 8.3743 122.0222 59.2555 40.1262 174.8922 160 L 4.8073 9.0189 128.5928 54.3746 43.0834 175.4778 161 H 5.2172 9.3592 122.0613 54.1741 30.8392 174.0359 162 I 4.8205 8.1615 123.4759 59.4798 41.5673 174.6750 163 G 3.4851 7.9456 111.5160 45.6245 0.0000 172.2319 164 Y 4.9986 7.9149 117.6214 58.2077 39.1938 175.3817 165 F 5.3039 8.1966 114.9219 56.2108 40.6270 173.6682 166 D 4.8118 8.7026 118.1790 52.4689 40.5046 175.2596 167 K 4.7496 8.0457 117.0230 56.1900 35.3042 174.7320 168 A 4.6630 8.1968 121.7155 50.0432 22.1341 174.4735 169 P 4.3603 0.0000 0.0000 62.2322 31.9725 176.6338 170 E 3.9405 8.8792 120.9788 56.6728 29.9185 177.6161 171 G 3.6662 8.5278 111.6912 45.5896 0.0000 172.9558 172 K 4.2402 8.3621 122.7035 54.5636 33.2042 176.7872 173 A 4.0055 8.5426 126.6018 52.7228 18.7864 177.2410 174 R 4.3450 8.2348 121.3485 55.3440 31.4270 176.4704 175 T 4.1078 8.1992 117.8296 62.4027 69.3280 173.1348 176 P 4.2652 0.0000 0.0000 62.9752 32.0202 177.3394 177 I 3.8057 8.3437 121.6793 63.8969 38.3377 177.9174 178 T 3.8653 7.9808 116.2255 66.6467 68.2974 175.0141 179 E 4.1605 8.0699 119.6277 57.8267 30.2234 176.9180 180 K 4.4786 7.7003 117.0771 54.9671 32.2176 175.6742 *182 E 3.9934 7.7406 118.7275 56.6395 31.0210 174.3572 183 I 4.2654 8.2969 126.3150 59.8184 38.4215 175.5891 184 I 4.2144 8.1912 127.3414 59.9257 36.4271 174.7491 185 E 4.3687 8.4828 125.6936 56.6037 30.5007 176.2379 186 G 3.7525 7.7335 111.6017 46.3440 0.0000 172.7751 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 0 A 8.26 4.14 1.31 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 0.00 0.00 0.00 *2 T 7.57 4.13 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 1.26 0.00 0.00 3 T 8.26 4.49 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 4 Y 7.77 4.36 0.00 3.02 3.09 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 5 T 8.53 4.46 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 1.24 0.00 0.00 6 S 7.47 4.64 0.00 3.87 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 7 I 8.33 3.53 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.26 0.90 0.00 0.00 8 A 8.09 3.93 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 9 N 7.73 4.31 0.00 3.01 3.26 0.00 0.00 6.69 7.56 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 10 V 7.20 2.99 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 1.07 0.00 0.00 0.29 0.00 0.00 11 I 7.44 3.53 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.85 0.00 0.00 12 K 8.14 4.05 0.00 1.66 1.82 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.66 7.81 13 E 7.73 4.26 0.00 2.15 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 2.38 2.38 0.00 14 R 6.71 2.00 0.00 1.26 1.42 0.00 3.14 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.36 0.00 15 R 6.10 4.44 0.00 1.66 1.65 0.00 3.53 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 16 S 8.47 4.42 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 17 V 8.30 4.24 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 0.48 0.00 0.00 0.34 0.00 0.00 18 R 8.24 4.43 0.00 1.67 1.81 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 19 T 7.01 4.32 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 1.18 0.00 0.00 20 F 8.34 5.23 0.00 3.10 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 21 T 8.49 4.30 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 1.26 0.00 0.00 22 D 8.51 4.63 0.00 2.71 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 23 K 7.55 3.89 0.00 1.79 1.83 0.00 1.42 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.30 1.25 7.81 24 A 8.54 4.22 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 25 V 8.08 4.53 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 0.81 0.00 0.00 0.84 0.00 0.00 26 E 8.82 4.09 0.00 2.09 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 2.45 2.29 0.00 27 K 8.88 3.94 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 28 D 8.08 4.39 0.00 2.74 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 29 L 7.79 3.95 0.00 1.79 1.89 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.85 4.09 0.00 1.93 1.76 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.87 3.76 2.03 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 1.41 0.76 0.94 0.00 0.00 32 E 8.50 3.95 0.00 2.12 2.16 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 2.33 2.39 0.00 33 L 8.18 4.00 0.00 2.01 1.58 0.74 0.78 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 34 L 8.23 4.02 0.00 1.91 1.79 0.87 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.26 4.44 0.00 3.02 3.00 0.00 0.00 7.12 7.93 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 36 D 8.40 4.69 0.00 2.90 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 37 A 8.12 4.03 1.10 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 38 T 7.77 3.30 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 1.17 0.00 0.00 39 W 7.72 4.53 0.00 3.48 3.36 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 40 A 7.41 4.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.52 0.00 2.29 2.17 0.00 3.91 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 2.10 2.05 0.00 42 N 8.51 4.69 0.00 2.79 3.13 0.00 0.00 5.77 7.90 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 43 H 8.95 4.32 0.00 3.25 3.25 0.00 6.02 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.01 3.71 0.00 1.82 1.77 0.00 1.90 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.91 1.18 7.81 45 H 7.96 4.14 0.00 3.17 3.27 0.00 5.95 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 46 R 7.59 3.72 0.00 1.61 1.76 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 47 E 8.18 2.00 0.00 1.42 1.12 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 1.91 1.81 0.00 48 P 0.00 3.90 0.00 1.98 1.93 0.00 2.51 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 49 W 5.64 4.05 0.00 2.57 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 50 N 8.30 4.92 0.00 1.44 1.91 0.00 0.00 6.66 7.76 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 51 C 8.41 5.43 0.00 2.78 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 52 K 9.18 4.49 0.00 1.83 1.49 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.57 7.81 53 L 8.39 4.94 0.00 1.55 1.46 0.88 0.88 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 54 Y 9.39 4.68 0.00 2.95 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 55 I 8.04 4.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.65 0.91 0.00 0.00 56 G 9.04 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 57 E 8.88 4.06 0.00 2.19 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 0.00 2.38 2.33 0.00 58 G 8.14 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 59 R 8.01 4.16 0.00 1.98 2.12 0.00 3.43 0.00 0.00 3.41 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 60 K 8.12 4.12 0.00 1.96 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.63 7.81 61 K 7.97 3.94 0.00 2.13 2.06 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.50 7.81 62 L 7.76 3.57 0.00 1.15 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.07 3.17 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 0.78 0.00 0.00 0.87 0.00 0.00 64 D 8.36 4.19 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.67 3.93 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 66 V 7.94 3.58 1.82 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 0.38 0.00 0.00 0.78 0.00 0.00 67 L 7.87 3.34 0.00 1.51 1.54 0.81 0.27 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 68 N 8.16 4.49 0.00 2.79 2.88 0.00 0.00 7.04 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.66 4.55 0.00 4.22 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 0.00 70 F 7.38 5.11 0.00 3.18 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 71 T 8.56 4.29 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 1.25 0.00 0.00 72 E 8.72 3.98 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 73 E 8.11 3.91 0.00 2.07 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 2.36 2.44 0.00 74 E 7.93 3.85 0.00 2.22 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 75 R 8.32 4.10 0.00 2.18 2.05 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 76 A 7.86 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 120 F 7.97 3.80 0.00 2.61 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 0.00 121 Q 8.04 3.92 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 122 L 7.71 3.99 0.00 1.78 1.66 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.03 3.89 0.00 1.61 1.53 0.92 1.11 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 0.00 124 A 7.71 3.81 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 0.00 125 W 8.34 4.24 0.00 3.54 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 0.00 126 E 8.07 4.10 0.00 2.07 2.24 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 2.38 2.49 0.00 127 R 7.37 4.35 0.00 1.96 1.97 0.00 3.42 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 128 G 8.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.20 0.00 1.61 1.52 -0.17 0.62 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 G 9.41 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 0.00 0.00 0.00 0.00 131 C 8.29 5.67 0.00 3.21 3.08 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 0.00 132 V 8.80 4.79 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 1.03 0.00 0.00 0.99 0.00 0.00 133 W 9.08 4.93 0.00 3.47 3.01 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 0.00 134 K 9.63 4.72 0.00 2.08 1.82 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.47 7.81 135 S 8.73 5.15 0.00 3.99 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 0.00 136 G 9.30 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.77 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 0.00 138 L 8.24 3.96 0.00 1.73 1.61 0.66 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.32 4.64 0.00 2.84 2.76 0.00 0.00 6.97 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 0.00 140 Y 7.99 4.47 0.00 3.00 3.09 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 0.00 141 N 8.23 4.69 0.00 3.13 3.02 0.00 0.00 7.15 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 0.00 142 P 0.00 4.38 0.00 2.24 2.13 0.00 3.73 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 143 L 7.97 4.10 0.00 1.78 1.77 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.21 4.14 0.00 3.10 3.38 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 0.00 145 I 7.82 3.43 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.88 0.00 0.00 146 E 8.16 4.05 0.00 2.09 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 0.00 2.26 2.30 0.00 147 G 7.57 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 0.00 148 I 7.15 4.13 1.77 0.00 0.00 0.58 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 0.39 0.37 0.00 0.00 149 G 8.35 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.54 4.39 0.00 1.59 1.41 0.51 -0.09 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 0.00 151 T 8.78 4.46 4.22 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 1.18 0.00 0.00 152 R 8.18 3.92 0.00 1.95 1.99 0.00 3.10 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 153 G 8.97 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 0.00 154 Q 7.58 4.69 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.56 2.27 0.00 155 R 8.48 4.35 0.00 2.17 1.95 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 156 I 8.22 4.59 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 1.06 0.00 0.00 157 V 8.65 4.13 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 0.50 0.00 0.00 0.84 0.00 0.00 158 G 7.42 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 0.00 0.00 0.00 0.00 159 I 8.37 5.10 1.99 0.00 0.00 1.00 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 1.06 0.90 0.00 0.00 160 L 9.02 4.81 0.00 1.36 1.52 0.40 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 161 H 9.36 5.22 0.00 3.10 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.16 4.82 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.87 0.00 0.00 163 G 7.95 3.49 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 0.00 164 Y 7.91 5.00 0.00 3.10 2.86 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 0.00 165 F 8.20 5.30 0.00 3.16 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 0.00 166 D 8.70 4.81 0.00 2.71 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 0.00 167 K 8.05 4.75 0.00 1.90 1.83 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.46 7.81 168 A 8.20 4.66 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 0.00 169 P 0.00 4.36 0.00 2.02 1.98 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 170 E 8.88 3.94 0.00 1.95 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 2.34 2.36 0.00 171 G 8.53 3.67 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 0.00 0.00 0.00 172 K 8.36 4.24 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.40 7.81 173 A 8.54 4.01 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 0.00 174 R 8.23 4.35 0.00 1.79 1.84 0.00 3.34 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 175 T 8.20 4.11 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 1.23 0.00 0.00 176 P 0.00 4.27 0.00 2.16 1.98 0.00 3.59 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 2.11 2.09 0.00 177 I 8.34 3.81 1.86 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 1.41 1.44 0.91 0.00 0.00 178 T 7.98 3.87 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 0.00 179 E 8.07 4.16 0.00 2.14 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 2.24 0.00 180 K 7.70 4.48 0.00 1.79 1.77 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.32 7.81 *182 E 7.74 3.99 0.00 1.97 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 0.00 2.19 2.34 0.00 183 I 8.30 4.27 1.87 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 1.41 0.74 0.91 0.00 0.00 184 I 8.19 4.21 1.87 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 0.43 0.91 0.00 0.00 185 E 8.48 4.37 0.00 1.92 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 2.23 2.29 0.00 186 G 7.73 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 * Residues marked with a * may have inaccurate shift predictions.