NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.3364 8.1749 110.9393 61.1079 71.2667 174.0485 13 K 4.2350 7.6782 121.9420 54.3617 33.2162 174.2742 14 Y 4.2656 9.0131 126.0037 59.0638 40.2823 176.5475 15 A 3.3947 8.1288 127.5451 51.9094 16.5224 176.9386 16 E 3.8389 7.7035 118.0457 57.6064 29.9338 177.2247 17 G 3.8936 8.7808 113.4884 46.1567 0.0000 173.6791 18 T 4.4483 7.6300 107.1169 61.0035 69.5304 174.1549 19 Q 4.6390 7.7436 121.1039 53.4892 31.4420 173.4733 20 P 4.7082 0.0000 0.0000 61.4965 33.5120 175.2175 21 F 4.2196 8.8960 120.8663 59.6474 40.2124 173.8648 22 T 5.1907 9.6156 123.0034 61.6799 71.9509 172.9174 23 V 4.8803 9.0550 126.1770 61.0314 34.6020 173.9647 24 L 5.0851 8.9686 128.1572 53.1408 44.0755 175.6895 25 I 4.6225 9.0475 126.5314 60.8708 37.6273 175.0189 26 E 5.1724 9.6524 127.2040 54.0210 32.7911 175.8133 27 G 4.3816 8.4279 110.9941 45.7339 0.0000 171.7959 28 N 4.6329 8.0752 119.2453 52.6481 39.7890 174.2385 29 I 3.8491 8.2776 122.2991 62.7818 37.4186 176.4494 30 G 3.8985 8.8414 113.7147 47.0283 0.0000 174.0080 31 S 4.4626 8.0661 112.9375 57.7677 63.7160 175.1207 32 G 3.9646 8.2417 109.3491 46.2848 0.0000 175.6417 33 K 4.0334 8.3793 121.2458 59.7166 31.9938 179.1676 34 T 3.9322 7.9282 115.2917 66.8544 68.0652 176.6071 35 T 3.8409 7.9850 117.1911 66.9987 68.3153 175.7602 36 Y 4.1276 8.0602 119.9372 60.6688 39.2453 177.5442 37 L 4.3497 8.2566 121.3387 58.0105 42.1092 178.4641 38 N 4.3413 8.2996 116.7219 56.6743 38.2128 176.6879 39 H 4.0190 7.4321 115.4377 58.8377 29.0086 176.9365 40 F 4.4655 8.1496 117.6737 58.7094 38.9983 177.2812 41 E 4.1169 8.3542 120.4538 58.7922 29.1810 178.2839 42 K 4.0580 7.5977 116.8870 58.5784 32.8563 176.8206 43 Y 4.8985 7.3213 117.8711 58.8192 37.4400 179.0621 44 K 4.7169 8.0974 122.2161 59.5392 32.0487 178.1651 45 N 4.6707 8.2026 114.2637 55.3657 38.5141 175.5796 46 D 4.8907 8.7437 117.0060 53.8801 42.8893 175.6234 47 I 4.9017 7.1381 119.4486 59.3884 40.1683 174.9390 48 C 4.3858 9.1685 127.8191 58.6476 32.5455 172.3323 49 L 5.0283 8.5973 127.2525 53.2484 43.1779 176.3923 50 L 4.6870 8.6961 126.3055 52.7470 43.3371 176.7345 51 T 4.3673 8.4287 114.4662 60.8830 69.9048 173.8265 52 E 3.7051 8.4386 123.0580 56.1174 30.3449 176.6771 53 P 4.2734 0.0000 0.0000 61.9118 31.1370 178.5206 54 V 2.5612 6.7887 119.1149 65.8564 31.3330 176.2183 55 E 3.9030 7.7156 116.8066 59.3533 29.6751 178.9602 56 K 4.2001 7.7835 117.7966 59.4966 32.0976 179.3388 57 W 4.8170 7.8959 118.8087 59.7282 28.8582 178.1288 58 R 4.4709 8.2355 116.7320 56.7839 30.8701 175.8793 59 N 5.0801 8.1360 117.5670 52.3640 40.1755 171.2965 60 V 3.9399 9.2207 121.5019 61.4119 31.5200 176.1425 61 N 4.0570 9.4470 128.8337 54.3257 35.9267 174.9510 62 G 4.0306 8.3594 107.7513 44.3986 0.0000 174.0698 63 V 3.7601 8.0430 120.3369 62.1448 32.4247 174.7029 64 N 5.0355 8.1211 126.8185 51.5383 38.3427 175.1942 65 L 3.8187 8.3137 128.2226 57.0008 41.9891 178.7081 66 L 3.4659 7.9339 119.9114 57.9860 42.0837 178.2122 67 E 3.7927 9.3687 120.2103 59.5666 29.5451 178.7914 68 L 3.6083 7.3373 118.1188 57.8461 41.2040 179.4357 69 M 4.0910 7.4285 119.4734 59.2833 32.2310 178.2124 *70 Y 4.0275 7.2257 119.1177 61.8057 37.1314 179.4201 71 K 4.2914 7.6237 120.6954 58.2366 33.7361 177.1833 72 D 4.7975 8.0418 119.1889 51.0324 42.1210 173.2784 73 P 4.4160 0.0000 0.0000 65.1489 31.5510 177.7805 74 K 4.0539 8.1536 115.7973 59.0390 31.9440 178.4402 75 K 4.0608 7.6574 117.7034 58.1720 32.9407 177.9265 76 W 4.6507 8.1555 116.7689 56.9199 29.5389 178.1713 77 A 4.2264 8.3311 122.2024 55.3586 17.7683 179.1226 78 M 3.9864 8.0957 116.3831 58.3999 32.4341 176.4967 79 P 4.2399 0.0000 0.0000 65.7370 31.3792 177.9108 80 F 4.2607 8.5541 120.3418 61.4638 39.3185 177.1935 81 Q 3.4378 8.3956 117.9017 58.6827 28.4440 178.6844 82 S 3.7766 8.1179 114.3707 61.5294 62.2564 175.7062 83 Y 4.0800 7.8580 122.1491 60.2444 38.4348 177.6079 84 V 2.8154 7.3444 119.6327 65.9955 31.4673 177.9227 85 T 3.7129 7.6601 115.6511 66.5296 68.1849 176.1225 86 L 3.7370 7.2429 121.6587 58.4003 42.0587 179.1229 87 T 4.3743 7.5253 111.1754 64.5388 68.4387 176.2077 88 M 3.9560 8.2788 121.7943 58.1996 31.9326 178.6590 89 L 4.0020 7.8899 119.0957 57.7202 41.7698 179.5081 90 Q 4.0066 8.1476 118.1417 59.1363 28.4904 179.1448 91 S 4.0627 7.9424 114.5306 62.1669 63.0333 176.1655 92 H 4.3232 8.5468 117.8539 58.4010 28.5237 176.7977 93 T 4.3870 7.8653 108.2259 60.2335 69.8801 174.6789 94 A 4.0513 7.3087 125.1832 52.1405 18.9283 175.6980 95 P 4.6210 0.0000 0.0000 62.7708 32.6850 175.4468 96 T 4.5544 7.8854 112.1361 61.2818 69.9055 173.1575 97 N 4.6759 8.6143 123.6582 53.2269 38.2945 175.7100 98 K 4.1729 7.5588 118.6007 56.8567 32.5212 176.9384 99 K 4.4619 7.8162 116.9189 57.0313 32.7667 176.6337 100 L 5.0047 7.6020 122.0504 53.4547 46.1298 174.2618 101 K 5.0795 9.1643 125.8423 54.8259 35.8546 174.7310 102 I 5.0789 9.0811 127.8412 59.7644 40.7239 174.1705 103 M 5.0684 8.8929 126.4196 53.3639 35.0207 174.6990 104 E 4.4718 8.9922 125.3049 56.3078 30.1583 177.5517 105 R 4.3984 9.7984 128.2135 56.0981 30.0264 175.1976 106 S 4.5397 8.1681 112.0909 57.0051 67.1433 175.4417 107 I 3.5541 8.2145 120.4140 63.9843 37.4478 177.6654 108 F 3.6340 7.3883 118.5456 60.3114 38.7886 177.5804 109 S 3.6905 8.1245 113.6885 61.1600 62.7029 176.3047 110 A 4.0632 7.7229 123.9864 54.9500 17.9791 179.5255 111 R 3.3569 7.4600 117.0565 59.7147 29.8551 178.3860 112 Y 4.2107 7.3010 115.8936 60.3268 38.0868 176.6748 113 C 4.3315 7.9721 116.7176 61.6517 29.3345 176.1562 114 F 4.1534 7.8173 118.4161 60.4674 38.7998 178.1176 115 V 3.6778 8.1881 118.1377 66.1545 31.5755 177.6082 116 E 4.0233 7.9927 119.2510 59.4156 29.3963 178.3668 117 N 4.3396 8.2963 117.0869 56.9603 39.0615 176.8948 118 M 4.4096 8.1828 120.0046 57.9389 31.8785 178.8342 119 R 3.9825 8.1057 119.2867 59.4606 30.0731 178.4005 120 R 3.9355 7.5102 116.4068 59.2486 29.9625 177.8988 121 N 4.8509 8.2530 114.7889 52.1449 37.2603 175.7257 122 G 4.5020 8.0315 107.6294 47.0137 0.0000 175.6551 123 S 4.1727 7.7792 117.8809 60.3804 62.9032 174.5407 124 L 4.5746 7.8140 120.8348 52.9090 42.0184 176.9251 125 E 4.2218 8.5295 123.6299 55.6398 31.5116 177.4774 126 Q 4.1550 8.8402 121.7798 59.8918 29.0554 179.6489 127 G 3.6683 8.1356 105.7521 47.9941 0.0000 175.4732 128 M 4.0605 7.9868 120.4576 58.2899 32.1570 177.6458 129 Y 4.1923 8.0923 119.6901 61.2257 38.8284 178.2263 130 N 4.1732 8.4304 116.9629 56.4270 38.5849 177.5488 131 T 3.8257 7.8065 116.8243 66.6991 68.6278 176.5501 132 L 3.8568 7.7170 120.5853 57.8562 41.5561 179.5465 133 E 4.1064 8.0576 118.4614 59.3563 29.2829 179.1609 134 E 3.9146 8.3494 118.8719 59.2307 29.5384 179.3784 135 W 4.1489 8.1293 118.7904 60.1150 29.1197 177.9742 136 Y 4.3889 8.2880 116.8137 61.3180 36.8451 179.2011 137 K 4.0798 8.4473 119.3635 59.4691 32.0633 179.3041 138 F 4.2522 8.5704 121.1128 61.0803 39.2045 177.3341 139 I 3.7345 8.5141 120.4665 64.2593 36.7258 178.1769 140 E 4.1474 8.0324 117.1179 59.1239 29.4757 178.6348 141 E 4.0906 7.6273 118.2172 58.2361 29.7732 177.3630 142 S 4.5414 7.5567 112.7974 58.1268 65.8325 174.4086 143 I 4.8126 7.9210 121.2124 59.2887 39.5644 175.0487 144 H 4.3501 9.2541 128.2760 55.9931 30.2487 175.0711 145 V 3.9221 8.1634 126.7491 60.6762 31.1856 174.5600 146 Q 3.8306 8.2137 128.6247 55.8362 29.2520 175.9579 147 A 4.3370 8.2413 128.5810 51.9292 19.8695 174.4659 148 D 4.5521 8.2726 122.0597 56.1040 42.6110 177.5015 149 L 4.6011 7.3106 119.6311 54.0073 45.8929 174.0015 150 I 4.7087 8.6139 127.5589 60.2861 39.2914 174.8094 151 I 4.3929 9.0400 128.0854 59.9202 39.0804 174.5530 152 Y 4.8969 8.6530 130.7123 56.5117 39.2594 174.5544 153 L 4.0331 8.5950 129.1619 53.8129 40.1009 175.6358 154 R 3.4093 8.0258 123.4141 56.0208 31.4036 175.2051 155 T 5.1713 8.1878 115.3991 60.2897 72.7123 172.4417 156 S 4.6419 8.4742 114.6465 55.7496 65.3360 172.9138 157 P 4.1751 0.0000 0.0000 66.1156 31.0368 178.6138 158 E 3.9467 8.0479 116.5005 59.4454 29.4440 179.4122 159 V 3.6339 7.5016 116.9461 65.7859 31.3319 177.9133 160 A 4.2065 8.1362 122.2626 55.9662 18.6149 179.5044 *161 Y 4.1948 8.4564 121.9704 62.8282 36.7322 180.5516 162 E 4.2316 8.5679 122.0108 61.9844 29.9213 181.9043 163 R 4.3599 8.2491 122.7586 59.5974 29.7584 180.1605 164 I 4.5889 7.7530 114.7477 61.1986 35.0631 182.1969 *176 P 4.4739 0.0000 0.0000 63.2341 32.4892 176.9189 177 L 4.1273 8.3539 121.1146 58.1415 41.9883 178.8947 178 K 4.1084 8.1585 119.2603 59.6598 32.0461 177.8389 179 Y 4.3842 8.0889 119.1437 61.0063 38.7957 177.8735 180 L 4.0122 7.7270 118.3670 57.8807 41.5584 179.8201 181 Q 3.9662 8.0921 117.9024 58.9565 28.7341 178.0472 182 E 3.9431 8.2389 119.6833 59.8213 29.5568 179.6525 183 L 3.7713 8.0518 118.9093 57.8352 41.5241 179.1379 184 H 4.1547 8.3378 118.3277 59.4598 29.8528 177.1916 185 E 3.9922 8.4899 120.6068 59.3704 29.2673 179.4395 186 L 3.9911 7.9124 119.0505 58.0533 41.6084 179.2431 187 H 4.2679 8.4324 116.2203 58.8158 28.5777 177.5100 188 E 3.8856 8.4697 120.7296 59.6459 29.1230 179.0592 189 D 4.3925 8.6127 118.9162 57.3750 40.7116 178.9878 190 W 4.1718 8.1056 127.2714 59.8783 30.7969 177.2311 191 L 3.8308 7.8316 117.2816 54.9050 41.9868 177.3756 192 I 4.1490 7.4190 117.8670 63.4297 38.2107 176.8686 193 H 4.6213 6.9664 115.1933 56.3697 28.6227 174.6154 *200 C 4.2666 7.9469 118.9150 58.9386 32.4844 173.3606 201 K 4.1583 8.5543 125.5462 56.5212 32.8060 175.9394 202 V 4.6743 8.2839 124.3148 61.1059 34.1662 175.0076 203 L 4.6039 8.4432 127.6348 53.1661 44.4780 175.0387 204 V 4.3655 8.3542 126.5991 62.3888 32.5266 174.9855 205 L 4.7230 8.7392 127.7250 52.7073 45.1207 175.3477 206 D 4.3790 8.7368 122.8536 53.5415 41.5072 175.5986 207 A 4.7235 8.5139 131.0298 51.9779 19.6020 176.5159 208 D 4.4503 7.8425 125.1016 55.9502 41.1018 176.8464 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 12 T 8.17 4.34 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 13 K 7.68 4.24 0.00 2.12 1.79 0.00 1.69 0.00 0.00 1.98 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.48 7.81 14 Y 9.01 4.27 0.00 2.99 2.87 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 15 A 8.13 3.39 1.04 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 0.00 0.00 16 E 7.70 3.84 0.00 2.14 1.81 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 2.20 2.01 0.00 17 G 8.78 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.63 4.45 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 1.17 0.00 0.00 19 Q 7.74 4.64 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 20 P 0.00 4.71 0.00 2.21 2.26 0.00 3.82 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 2.03 2.10 0.00 21 F 8.90 4.22 0.00 3.19 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 22 T 9.62 5.19 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 1.27 0.00 0.00 23 V 9.05 4.88 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 1.12 0.00 0.00 1.11 0.00 0.00 24 L 8.97 5.09 0.00 1.69 1.72 1.25 0.73 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 25 I 9.05 4.62 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 1.03 0.00 0.00 26 E 9.65 5.17 0.00 1.86 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 2.39 2.54 0.00 27 G 8.43 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 28 N 8.08 4.63 0.00 2.76 2.75 0.00 0.00 6.90 7.82 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 29 I 8.28 3.85 2.02 0.00 0.00 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 1.66 0.91 1.06 0.00 0.00 30 G 8.84 3.90 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 0.00 0.00 0.00 31 S 8.07 4.46 0.00 4.12 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 0.00 32 G 8.24 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 33 K 8.38 4.03 0.00 1.91 2.08 0.00 1.81 0.00 0.00 1.97 0.00 0.00 3.27 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.64 1.64 7.81 34 T 7.93 3.93 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 35 T 7.98 3.84 4.49 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 1.20 0.00 0.00 36 Y 8.06 4.13 0.00 3.12 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.26 4.35 0.00 2.07 1.72 0.93 0.75 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 38 N 8.30 4.34 0.00 2.93 2.81 0.00 0.00 6.91 7.85 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 39 H 7.43 4.02 0.00 2.76 2.93 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.15 4.47 0.00 3.34 3.18 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 41 E 8.35 4.12 0.00 2.14 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 2.28 2.34 0.00 42 K 7.60 4.06 0.00 1.65 1.66 0.00 1.35 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.44 0.21 7.81 43 Y 7.32 4.90 0.00 3.22 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 44 K 8.10 4.72 0.00 1.90 1.82 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.65 7.81 45 N 8.20 4.67 0.00 2.77 2.92 0.00 0.00 6.75 8.06 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 46 D 8.74 4.89 0.00 2.76 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 47 I 7.14 4.90 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.98 0.00 0.00 48 C 9.17 4.39 0.00 3.00 2.83 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 49 L 8.60 5.03 0.00 1.55 1.60 1.01 0.97 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 50 L 8.70 4.69 0.00 1.54 1.55 0.90 0.73 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 51 T 8.43 4.37 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 1.20 0.00 0.00 52 E 8.44 3.71 0.00 2.13 1.75 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 2.21 2.41 0.00 53 P 0.00 4.27 0.00 1.88 1.83 0.00 3.45 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 54 V 6.79 2.56 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.63 0.00 0.00 55 E 7.72 3.90 0.00 1.86 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 2.22 2.29 0.00 56 K 7.78 4.20 0.00 1.97 2.12 0.00 1.64 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.48 7.81 57 W 7.90 4.82 0.00 3.73 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.24 4.47 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 59 N 8.14 5.08 0.00 2.77 2.65 0.00 0.00 6.63 6.99 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 60 V 9.22 3.94 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 0.22 0.00 0.00 0.61 0.00 0.00 61 N 9.45 4.06 0.00 2.79 2.92 0.00 0.00 7.46 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 62 G 8.36 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 0.00 0.00 0.00 0.00 63 V 8.04 3.76 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.42 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 81 Q 8.40 3.44 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 82 S 8.12 3.78 0.00 3.79 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.86 4.08 0.00 3.09 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.34 2.82 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 0.53 0.00 0.00 -1.35 0.00 0.00 85 T 7.66 3.71 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 1.00 0.00 0.00 86 L 7.24 3.74 0.00 1.52 1.56 0.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.53 4.37 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 0.73 0.00 0.00 88 M 8.28 3.96 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.39 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.03 4.50 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 0.00 123 S 7.78 4.17 0.00 3.97 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 0.00 124 L 7.81 4.57 0.00 1.75 1.76 1.16 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.53 4.22 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 126 Q 8.84 4.15 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 127 G 8.14 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 0.00 128 M 7.99 4.06 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 129 Y 8.09 4.19 0.00 3.14 3.21 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 0.00 130 N 8.43 4.17 0.00 3.00 2.85 0.00 0.00 7.12 6.67 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 0.00 131 T 7.81 3.83 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 1.32 0.00 0.00 132 L 7.72 3.86 0.00 1.75 1.47 0.96 0.77 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 0.00 133 E 8.06 4.11 0.00 1.78 1.90 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 1.47 1.98 0.00 134 E 8.35 3.91 0.00 2.07 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 0.00 2.45 2.41 0.00 135 W 8.13 4.15 0.00 3.28 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 0.00 136 Y 8.29 4.39 0.00 3.13 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 0.00 137 K 8.45 4.08 0.00 2.02 1.91 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.62 7.81 138 F 8.57 4.25 0.00 2.97 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 0.00 139 I 8.51 3.73 2.17 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 1.76 0.94 0.93 0.00 0.00 140 E 8.03 4.15 0.00 2.18 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 0.00 2.65 2.44 0.00 141 E 7.63 4.09 0.00 1.84 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 2.32 2.40 0.00 142 S 7.56 4.54 0.00 3.56 3.23 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 0.00 143 I 7.92 4.81 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 1.02 0.00 0.00 144 H 9.25 4.35 0.00 3.09 3.38 0.00 5.92 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 0.00 145 V 8.16 3.92 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 0.42 0.00 0.00 0.74 0.00 0.00 146 Q 8.21 3.83 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 147 A 8.24 4.34 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 0.00 148 D 8.27 4.55 0.00 1.58 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 0.00 0.00 0.00 149 L 7.31 4.60 0.00 1.77 1.48 1.02 1.23 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 0.00 150 I 8.61 4.71 1.70 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 1.19 0.89 0.71 0.00 0.00 151 I 9.04 4.39 1.90 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.77 0.00 0.00 152 Y 8.65 4.90 0.00 2.85 2.73 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 0.00 153 L 8.60 4.03 0.00 1.57 1.53 0.93 0.26 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 0.00 154 R 8.03 3.41 0.00 0.67 1.44 0.00 2.93 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.20 0.00 155 T 8.19 5.17 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 1.25 0.00 0.00 156 S 8.47 4.64 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.18 0.00 2.15 2.17 0.00 3.45 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 158 E 8.05 3.95 0.00 2.04 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 2.40 2.43 0.00 159 V 7.50 3.63 2.27 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 1.08 0.00 0.00 0.92 0.00 0.00 160 A 8.14 4.21 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 *161 Y 8.46 4.19 0.00 2.28 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 0.00 162 E 8.57 4.23 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 2.27 2.22 0.00 163 R 8.25 4.36 0.00 1.90 1.89 0.00 3.22 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 164 I 7.75 4.59 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 1.52 1.16 0.91 0.00 0.00 *176 P 0.00 4.47 0.00 2.27 2.07 0.00 3.53 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 1.98 2.07 0.00 177 L 8.35 4.13 0.00 1.79 1.69 0.94 0.31 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 0.00 178 K 8.16 4.11 0.00 1.91 1.88 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.56 7.81 179 Y 8.09 4.38 0.00 3.07 3.20 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 0.00 180 L 7.73 4.01 0.00 1.99 1.74 1.03 1.21 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 0.00 181 Q 8.09 3.97 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 182 E 8.24 3.94 0.00 2.15 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 2.36 2.47 0.00 183 L 8.05 3.77 0.00 1.59 1.50 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 184 H 8.34 4.15 0.00 3.33 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 E 8.49 3.99 0.00 2.15 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 2.54 2.52 0.00 186 L 7.91 3.99 0.00 1.77 1.65 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.43 4.27 0.00 3.36 3.12 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.47 3.89 0.00 2.09 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 2.26 2.31 0.00 189 D 8.61 4.39 0.00 2.81 2.74 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 0.00 190 W 8.11 4.17 0.00 3.05 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 0.00 191 L 7.83 3.83 0.00 0.99 1.10 -0.29 -1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 192 I 7.42 4.15 1.71 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.97 0.88 0.00 0.00 193 H 6.97 4.62 0.00 3.16 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *200 C 7.95 4.27 0.00 2.90 2.74 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 0.00 201 K 8.55 4.16 0.00 1.73 1.72 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.40 7.81 202 V 8.28 4.67 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 0.64 0.00 0.00 0.70 0.00 0.00 203 L 8.44 4.60 0.00 1.81 1.58 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 204 V 8.35 4.37 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 0.64 0.00 0.00 0.97 0.00 0.00 205 L 8.74 4.72 0.00 1.40 1.41 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.74 4.38 0.00 2.63 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 0.00 207 A 8.51 4.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 D 7.84 4.45 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.