NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3663 8.2845 120.7680 53.7438 42.7774 177.0379 5 T 3.8484 8.9975 114.0229 60.6208 69.2409 172.8794 6 E 4.0163 9.3358 122.7392 59.3898 30.8778 178.5229 7 E 4.2788 8.1639 116.8603 61.1149 29.9262 182.0677 8 Q 4.4920 7.9863 119.4158 58.5320 28.7817 178.8574 9 I 3.8650 7.4824 121.0725 64.9401 35.6880 183.5134 10 A 4.2712 7.9620 121.8702 54.8326 18.1376 179.6244 11 E 4.0208 8.1811 119.8559 60.4610 29.5904 180.1910 *12 F 4.2267 8.5755 120.8062 61.6724 37.9358 178.9429 13 K 4.5667 8.5404 118.8976 59.9208 32.2000 178.3864 14 E 3.9889 8.6215 118.3816 59.5827 29.3256 179.1474 15 A 4.1343 7.6060 119.4428 55.4690 18.6413 178.9867 16 F 3.1337 7.8931 118.5285 61.3701 39.2342 177.2857 17 S 4.0858 7.8673 110.5370 60.6596 62.1270 175.4170 18 L 3.9109 7.4461 122.1259 57.7042 41.7963 177.9598 19 F 4.3784 7.8857 116.7260 58.5777 41.0276 176.7108 20 D 4.4458 7.3273 120.3899 53.8041 39.1443 176.0825 21 K 4.1301 7.8405 124.1406 57.2580 32.4647 179.5877 22 D 4.4504 7.9084 117.0930 53.9299 39.6332 176.5254 23 G 3.9394 8.0296 107.7218 46.6188 0.0000 174.3460 24 D 4.4470 8.4131 120.1032 53.5751 39.9066 176.9175 25 G 4.3238 8.4286 107.3751 45.3451 0.0000 173.7474 26 T 5.1311 8.7022 109.4204 59.9947 72.1454 173.4469 27 I 4.6150 9.2685 125.6873 60.3701 38.9755 175.2950 28 T 4.8177 8.6978 117.3731 60.0257 71.6968 175.6402 29 T 3.8565 8.7508 112.7306 65.2993 68.3008 175.8478 30 K 3.8141 8.1871 121.3017 59.2014 31.9986 178.6470 31 E 3.9145 8.1547 117.8864 59.3405 29.3974 178.8940 32 L 4.3042 8.2633 120.7122 58.5525 42.0967 179.4211 33 G 3.6277 8.5997 105.5313 48.2356 0.0000 175.5761 34 T 3.8951 8.3586 116.2662 64.6122 67.3150 176.4767 35 V 3.5026 8.0035 120.6705 66.2122 31.5782 178.0307 36 M 4.1918 8.4777 118.6623 58.2148 31.6524 178.9683 37 R 4.7580 8.1995 120.1820 58.4417 30.0695 178.7764 38 S 4.1196 7.9194 113.3805 61.3771 62.7567 175.7401 39 L 4.4498 7.4057 119.3095 54.2332 41.4416 177.5635 40 G 3.8839 8.0779 106.9423 45.7440 0.0000 173.6563 41 Q 4.6675 7.9555 118.6171 54.3013 31.1137 174.6935 42 N 5.3514 8.0570 117.0335 51.3600 39.0458 171.0778 43 P 4.6189 0.0000 0.0000 61.6472 32.9356 178.0975 44 T 4.0837 8.6915 112.7528 61.4378 70.6075 175.0008 45 E 3.9167 8.8656 120.2490 60.1247 29.1322 179.3726 46 A 4.0494 7.9264 120.8622 54.6340 18.4214 179.3724 47 E 3.9215 7.9586 117.0562 59.3742 29.4949 179.4151 48 L 4.0897 7.8644 118.9309 58.0538 41.7628 179.1571 49 Q 3.9617 7.9832 117.7594 59.2166 28.8749 178.4831 50 D 4.3801 8.3907 118.8610 58.0500 40.9866 178.7033 51 M 4.1314 8.4985 118.1250 58.7182 32.4064 178.6865 52 I 3.8460 7.9174 119.7911 64.1616 36.0294 178.0580 53 N 4.3649 8.1392 118.2616 56.5963 38.5583 176.8496 54 E 4.2108 7.7559 118.0760 58.5595 29.5754 178.0962 55 V 4.1651 6.9488 110.3665 61.5844 33.1779 176.6483 56 D 4.9218 7.8058 120.1297 53.6403 38.5917 175.9101 57 A 3.9826 8.7822 127.3716 54.2389 18.7209 178.6070 58 D 4.6435 8.3083 111.7277 52.5894 39.9110 176.8352 59 G 3.9213 7.9009 107.4733 46.7633 0.0000 173.6505 60 N 4.7068 8.2422 115.0474 52.1867 37.4215 177.5567 61 G 3.9190 8.7091 106.6794 46.9313 0.0000 173.2938 62 T 4.8317 7.8582 113.2308 60.1475 70.8334 172.7737 63 I 5.5181 8.6325 122.2987 58.5488 40.6101 175.7614 64 D 5.0418 8.9116 127.0210 52.1346 41.6689 177.1786 65 F 3.2175 8.9856 120.1865 61.0394 38.9920 175.3411 66 P 4.3945 0.0000 0.0000 65.9351 31.1379 178.1295 67 E 4.0272 8.7642 118.4013 58.9978 29.4484 178.7923 68 F 4.1792 8.2646 120.4175 60.4462 39.4204 177.2562 69 L 3.8795 7.5637 118.9209 57.8111 41.2557 178.9359 70 T 3.8248 7.5202 114.9170 67.1610 68.2836 175.8534 71 M 3.9811 7.7891 120.1648 58.9493 31.7478 178.7916 72 M 3.8553 7.2922 117.4249 58.2614 32.2228 178.5596 73 A 4.1578 7.8758 122.3888 55.0702 18.5803 180.3797 74 R 4.0603 7.4497 120.9697 61.1098 30.1562 182.3598 75 K 4.3171 7.2834 122.5989 54.7919 32.5601 179.9639 *79 T 4.3761 8.3664 114.5297 61.0696 70.8660 174.6986 80 D 4.9411 7.8495 121.0258 54.7092 40.8312 184.9537 81 S 4.3418 8.4535 122.6484 64.5263 62.0822 178.0359 82 E 4.2627 8.2707 124.8454 59.8076 29.0626 179.2551 83 E 4.1814 8.0269 119.5432 61.8239 29.7622 181.4615 84 E 4.3397 8.1778 118.5859 60.7551 29.8582 181.3366 85 I 4.2427 8.0424 122.1355 65.1637 37.3672 179.0288 86 R 4.2669 8.6727 121.9284 61.6342 29.0923 180.4958 87 E 4.1768 8.1163 117.8338 59.4030 29.4929 178.9696 88 A 4.1867 8.0398 120.7444 55.4434 18.4631 179.0576 89 F 2.7666 8.8636 119.1451 61.3156 39.1267 177.0376 90 R 3.9052 7.8973 116.6342 59.7566 29.8882 178.1289 91 V 3.7431 8.1417 116.7451 66.0954 31.5541 177.7502 92 F 4.0194 8.3370 116.7897 59.7600 40.3854 176.7594 93 D 4.5266 8.2424 122.0909 52.8148 37.1837 176.8869 94 K 3.8495 7.6738 125.6796 57.5373 32.1561 178.7770 95 D 4.6865 8.1321 115.6364 51.8399 39.9457 176.3692 96 G 4.0278 8.3588 108.6390 46.9765 0.0000 173.6507 97 N 4.6557 8.4631 112.2228 52.6243 38.1425 176.1985 98 G 4.0367 9.4008 108.6516 45.2964 0.0000 173.2482 99 Y 5.1557 8.4405 116.6329 56.2634 41.8448 175.0230 100 I 4.5856 8.9821 125.0906 60.4461 38.7277 175.8023 101 S 4.8280 9.7407 122.4075 57.1666 65.1416 175.1224 102 A 3.9728 8.9390 122.2605 55.6036 17.9673 179.5129 103 A 3.8579 8.1161 118.3314 55.8243 18.2291 179.6853 104 E 3.9836 8.3443 116.6491 59.1432 29.4715 179.4221 105 L 3.9982 8.3522 120.9087 58.2225 42.2386 178.8035 106 R 3.8875 8.3164 118.4078 60.0179 30.0301 178.3814 107 H 4.1475 7.9389 115.2025 58.9733 28.4901 178.0918 108 V 3.3175 7.1297 118.7123 66.1278 31.6419 177.4677 109 M 4.1627 7.9546 118.3828 58.8002 31.7460 178.7515 110 T 3.7903 7.8941 115.4884 67.0110 68.5016 176.1801 111 N 3.9652 7.9573 116.6129 56.2442 38.6065 176.5833 112 L 4.2572 7.4415 118.2878 54.7925 42.1617 177.4955 113 G 3.8724 8.6796 109.3960 45.8976 0.0000 174.5867 114 E 4.0884 7.9601 117.6323 55.5463 28.6364 182.7335 *115 K 4.3104 8.4287 130.1960 53.3169 30.7981 174.6516 116 L 4.6795 7.9407 125.1679 51.9505 42.8899 175.6221 117 T 4.0646 8.2142 111.1219 62.1976 70.3936 175.3092 118 D 4.4634 8.8616 125.7743 58.1916 40.8921 179.6110 119 E 4.1970 8.2755 121.0063 61.6538 29.7760 182.6253 120 E 4.2424 7.9120 119.2279 61.0705 29.7940 181.7772 121 V 3.8766 7.6393 118.9363 65.8568 31.1431 178.0099 122 D 4.4078 8.6380 121.5050 58.0617 40.7009 178.9919 123 E 4.1720 8.6054 119.2301 61.4933 29.7340 180.7881 124 M 4.2749 8.4640 119.8541 58.4426 32.0780 179.0198 125 I 3.7464 7.9017 119.6438 64.5525 37.1528 178.4762 126 R 3.9597 8.9496 118.6696 59.4554 29.8270 177.8569 127 E 4.1940 8.4344 117.7645 58.3866 29.7981 177.9099 128 A 4.6041 7.7384 118.1283 51.8432 19.4058 176.8771 129 D 4.5553 7.8251 117.2720 53.4433 40.4702 176.2291 130 I 3.9192 8.5078 127.9421 64.3808 37.3524 177.5538 131 D 4.4845 8.5055 116.6567 53.5495 39.6631 176.8935 132 G 3.8768 8.4403 108.3872 46.6100 0.0000 173.9901 133 D 4.5431 8.5998 117.3967 52.9353 39.8267 177.2699 134 G 4.0289 9.1036 109.1827 45.1438 0.0000 173.0408 135 Q 4.8123 8.2100 116.9107 54.0332 33.1070 174.8284 136 V 4.7755 8.5991 120.5413 61.6106 33.7761 175.1587 137 N 5.0931 9.5800 127.0559 51.9627 40.0820 175.0508 138 Y 3.2076 8.4373 118.1001 61.0103 38.5889 177.9205 139 E 3.6576 8.0385 118.5692 59.5281 29.6459 179.2192 140 E 3.9682 8.9380 118.8758 59.2359 29.5174 179.1445 141 F 4.1232 8.6758 121.1255 61.3312 39.5154 177.1570 142 V 3.2927 7.7823 118.2039 66.1092 30.9263 178.0143 143 Q 4.0348 7.6703 117.8448 58.2145 28.8041 177.4200 144 M 3.9816 8.1701 118.5242 58.8602 32.1341 177.5401 145 M 4.0230 7.4343 117.3562 57.2259 32.8175 176.8224 146 T 4.1462 7.7651 114.2739 61.9948 69.0198 174.2662 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 4 L 8.28 4.37 0.00 1.68 1.53 0.92 0.50 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 5 T 9.00 3.85 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 6 E 9.34 4.02 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.91 0.00 7 E 8.16 4.28 0.00 1.97 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 2.31 1.96 0.00 8 Q 7.99 4.49 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 9 I 7.48 3.86 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 1.45 0.73 0.91 0.00 0.00 10 A 7.96 4.27 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 11 E 8.18 4.02 0.00 2.12 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 0.00 2.37 2.60 0.00 *12 F 8.58 4.23 0.00 2.23 2.30 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 13 K 8.54 4.57 0.00 2.14 2.10 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.69 7.81 14 E 8.62 3.99 0.00 2.14 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 2.39 2.42 0.00 15 A 7.61 4.13 1.69 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 0.00 0.00 16 F 7.89 3.13 0.00 2.60 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 17 S 7.87 4.09 0.00 4.00 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 18 L 7.45 3.91 0.00 1.57 1.73 0.72 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.89 4.38 0.00 2.62 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 20 D 7.33 4.45 0.00 1.63 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 0.00 0.00 0.00 21 K 7.84 4.13 0.00 1.82 1.71 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 22 D 7.91 4.45 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.03 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 0.00 0.00 0.00 24 D 8.41 4.45 0.00 2.85 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 25 G 8.43 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.70 5.13 4.33 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 1.29 0.00 0.00 27 I 9.27 4.61 1.84 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.27 0.85 0.00 0.00 28 T 8.70 4.82 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 29 T 8.75 3.86 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 30 K 8.19 3.81 0.00 1.82 1.94 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.57 7.81 31 E 8.15 3.91 0.00 2.20 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 2.41 2.31 0.00 32 L 8.26 4.30 0.00 1.87 1.92 1.05 1.30 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 33 G 8.60 3.63 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 0.00 0.00 0.00 34 T 8.36 3.90 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 1.23 0.00 0.00 35 V 8.00 3.50 2.30 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 0.54 0.00 0.00 0.77 0.00 0.00 36 M 8.48 4.19 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.01 0.00 37 R 8.20 4.76 0.00 1.87 1.96 0.00 3.15 0.00 0.00 3.32 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 38 S 7.92 4.12 0.00 3.98 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 39 L 7.41 4.45 0.00 1.78 1.75 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.08 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 0.00 0.00 0.00 41 Q 7.96 4.67 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 42 N 8.06 5.35 0.00 2.60 2.66 0.00 0.00 7.02 7.69 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 43 P 0.00 4.62 0.00 2.24 2.05 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 44 T 8.69 4.08 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 E 8.87 3.92 0.00 2.31 2.28 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 2.37 1.97 0.00 46 A 7.93 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.96 3.92 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 48 L 7.86 4.09 0.00 1.87 1.73 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.98 3.96 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 50 D 8.39 4.38 0.00 2.78 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 51 M 8.50 4.13 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.60 0.00 52 I 7.92 3.85 2.03 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 1.39 1.32 0.96 0.00 0.00 53 N 8.14 4.36 0.00 2.93 2.90 0.00 0.00 7.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.76 4.21 0.00 2.05 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 2.34 2.49 0.00 55 V 6.95 4.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.95 0.00 0.00 56 D 7.81 4.92 0.00 2.95 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.78 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.31 4.64 0.00 2.78 2.78 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 59 G 7.90 3.92 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 0.00 0.00 0.00 60 N 8.24 4.71 0.00 2.93 3.04 0.00 0.00 6.90 6.80 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 61 G 8.71 3.92 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 0.00 0.00 0.00 62 T 7.86 4.83 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 1.37 0.00 0.00 63 I 8.63 5.52 1.93 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 0.94 0.55 1.06 0.00 0.00 64 D 8.91 5.04 0.00 2.87 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 65 F 8.99 3.22 0.00 2.66 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 66 P 0.00 4.39 0.00 2.34 2.36 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 67 E 8.76 4.03 0.00 2.35 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 2.44 2.47 0.00 68 F 8.26 4.18 0.00 3.29 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 69 L 7.56 3.88 0.00 1.87 1.66 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.52 3.82 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 71 M 7.79 3.98 0.00 1.68 1.65 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 72 M 7.29 3.86 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.35 0.00 73 A 7.88 4.16 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 74 R 7.45 4.06 0.00 1.93 1.84 0.00 3.27 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 75 K 7.28 4.32 0.00 1.77 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.00 7.81 *79 T 8.37 4.38 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 80 D 7.85 4.94 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.45 4.34 0.00 3.72 3.93 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 82 E 8.27 4.26 0.00 2.06 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 0.00 2.49 2.45 0.00 83 E 8.03 4.18 0.00 2.08 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 2.24 2.20 0.00 84 E 8.18 4.34 0.00 1.97 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 2.31 1.96 0.00 85 I 8.04 4.24 2.14 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 1.35 0.62 1.09 0.00 0.00 86 R 8.67 4.27 0.00 1.77 1.96 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 87 E 8.12 4.18 0.00 2.26 2.12 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 2.38 2.38 0.00 88 A 8.04 4.19 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.86 2.77 0.00 2.97 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 90 R 7.90 3.91 0.00 2.19 2.05 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 91 V 8.14 3.74 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 0.87 0.00 0.00 1.05 0.00 0.00 92 F 8.34 4.02 0.00 2.63 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 93 D 8.24 4.53 0.00 1.93 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 94 K 7.67 3.85 0.00 1.81 1.76 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.05 7.81 95 D 8.13 4.69 0.00 2.75 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 96 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 97 N 8.46 4.66 0.00 2.96 3.01 0.00 0.00 6.58 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 98 G 9.40 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.44 5.16 0.00 2.81 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 0.00 100 I 8.98 4.59 2.03 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.33 1.02 0.00 0.00 101 S 9.74 4.83 0.00 3.86 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 0.00 102 A 8.94 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 0.00 103 A 8.12 3.86 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 0.00 104 E 8.34 3.98 0.00 2.26 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 0.00 2.33 2.33 0.00 105 L 8.35 4.00 0.00 1.92 1.86 1.16 1.00 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 0.00 106 R 8.32 3.89 0.00 1.86 1.92 0.00 3.13 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 107 H 7.94 4.15 0.00 3.31 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.13 3.32 1.79 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 0.28 0.00 0.00 0.02 0.00 0.00 109 M 7.95 4.16 0.00 2.17 2.22 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 2.65 2.94 0.00 110 T 7.89 3.79 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 111 N 7.96 3.97 0.00 2.76 2.84 0.00 0.00 7.13 7.37 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 0.00 112 L 7.44 4.26 0.00 1.80 1.65 0.94 0.96 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 0.00 113 G 8.68 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 0.00 114 E 7.96 4.09 0.00 2.00 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 2.22 1.87 0.00 *115 K 8.43 4.31 0.00 1.77 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.00 7.81 116 L 7.94 4.68 0.00 1.65 1.47 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.21 4.06 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 0.00 118 D 8.86 4.46 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 0.00 119 E 8.28 4.20 0.00 1.97 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 2.31 1.94 0.00 120 E 7.91 4.24 0.00 1.92 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 2.24 2.19 0.00 121 V 7.64 3.88 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 0.99 0.00 0.00 0.97 0.00 0.00 122 D 8.64 4.41 0.00 2.84 2.71 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 0.00 123 E 8.61 4.17 0.00 1.93 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 2.25 2.24 0.00 124 M 8.46 4.27 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.64 0.00 125 I 7.90 3.75 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.03 1.00 0.00 0.00 126 R 8.95 3.96 0.00 2.15 2.20 0.00 3.37 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 127 E 8.43 4.19 0.00 2.22 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 2.33 0.00 128 A 7.74 4.60 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.83 4.56 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.51 3.92 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.92 0.00 0.00 131 D 8.51 4.48 0.00 2.81 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 0.00 132 G 8.44 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 0.00 0.00 0.00 133 D 8.60 4.54 0.00 2.77 2.80 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 0.00 134 G 9.10 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 0.00 135 Q 8.21 4.81 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.26 0.00 136 V 8.60 4.78 2.26 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 1.32 0.00 0.00 1.05 0.00 0.00 137 N 9.58 5.09 0.00 2.57 2.91 0.00 0.00 6.16 7.43 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 0.00 138 Y 8.44 3.21 0.00 2.17 2.71 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 0.00 139 E 8.04 3.66 0.00 1.97 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 2.41 2.34 0.00 140 E 8.94 3.97 0.00 2.22 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 2.36 2.52 0.00 141 F 8.68 4.12 0.00 3.35 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 0.00 142 V 7.78 3.29 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 0.80 0.00 0.00 0.10 0.00 0.00 143 Q 7.67 4.03 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 144 M 8.17 3.98 0.00 1.86 2.11 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 145 M 7.43 4.02 0.00 1.68 1.61 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.38 0.00 146 T 7.77 4.15 4.17 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 0.00 0.00 0.00 1.13 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.