NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5527 8.1933 116.7552 58.4720 64.8535 171.9623 3 I 4.7497 8.5236 125.7604 59.1691 39.1597 171.5871 4 E 4.8001 10.1325 128.2633 54.6180 32.6980 174.6139 5 I 5.5440 8.6938 124.5092 58.9563 39.1502 175.0585 6 R 4.8380 8.6477 122.0252 54.2437 33.2775 174.3944 7 K 4.6247 8.6729 119.3312 56.6181 32.5948 177.2634 8 L 4.6498 8.7512 124.4056 54.9079 42.5564 176.2925 9 S 4.7898 9.8060 115.7536 55.4117 66.4158 175.1105 10 I 3.6657 8.2329 114.1309 64.1925 36.7267 177.6503 11 E 4.1476 8.0582 118.1931 58.1790 29.6986 177.6148 12 D 4.6313 8.2728 118.9329 54.6659 41.1612 177.6800 13 L 3.8010 7.7164 122.3780 58.5624 41.9080 178.7350 14 E 3.9816 8.1044 117.8670 59.5111 29.4627 179.1326 15 T 4.0423 7.8108 108.7809 63.6623 69.1382 176.6492 16 L 3.8110 7.7162 123.8616 58.2360 42.0416 178.8373 17 I 3.6421 7.6960 119.6811 64.5291 37.0288 178.3528 18 E 3.9687 7.9562 119.4464 59.1105 29.1969 179.5486 19 V 3.6026 8.0634 118.2119 65.9489 31.6826 177.5842 20 A 4.1116 8.2299 120.6714 55.3942 18.0053 179.3897 21 R 3.7981 8.1313 117.1002 59.7886 30.0321 178.3234 22 E 4.0148 8.3621 118.9575 59.2585 29.6242 178.7705 23 S 4.3057 8.7465 113.7132 61.1197 62.5699 175.9605 24 W 4.2917 8.8636 122.0976 59.9670 28.6704 178.3128 25 K 4.0999 8.4451 117.1958 59.5625 31.7767 178.8726 26 W 4.3067 8.1554 128.1964 60.9355 30.5315 177.9528 27 T 3.2143 8.3091 114.7695 65.9644 68.0204 175.4170 28 Y 4.3930 7.4852 116.8451 57.4329 38.8481 177.7919 29 A 3.9435 7.5212 126.0828 54.7144 18.5386 179.7661 30 G 3.9518 7.7818 101.3513 45.4428 0.0000 173.1936 31 I 3.9171 7.6326 118.8004 62.2734 38.7965 175.4873 32 Y 4.7778 7.1961 114.9181 55.8056 40.8550 176.0726 33 S 4.6215 8.3208 115.9704 57.7677 65.7030 174.7506 34 E 4.0899 8.9019 122.5940 60.1232 29.1548 179.8013 35 E 4.0216 8.2214 117.7488 59.4926 29.6464 178.2595 36 Y 4.0549 7.9547 119.4523 61.0188 38.7346 178.5957 37 I 4.0484 8.2531 120.5018 64.5608 37.3339 178.1050 38 E 4.0809 8.3831 120.1463 59.1630 29.3211 179.1305 39 S 4.0387 8.4840 115.8698 60.9980 62.9450 176.0780 40 W 3.6815 8.2487 131.4667 60.5276 30.1636 178.0274 41 I 3.6118 8.0610 119.9342 64.3809 36.3005 178.4591 42 R 3.8217 7.5777 118.3497 59.1170 29.9540 177.8306 43 E 4.0565 8.0761 117.4388 58.4163 29.9750 178.2679 44 K 3.8386 7.6129 117.2770 57.5403 32.7335 177.0942 45 Y 4.4777 7.2718 116.5793 57.7234 38.6213 176.7467 46 S 4.3672 7.6356 114.1451 57.5446 65.6120 173.4661 47 K 3.7900 8.5248 123.5689 59.9233 31.8183 178.7592 48 E 3.9194 8.0276 117.9162 59.3298 29.4534 179.2961 49 K 3.8899 7.6353 118.4323 59.6114 32.1953 179.4196 50 L 4.0457 7.8769 119.0849 57.6514 41.4676 179.6398 51 L 3.8690 7.9603 118.8718 57.9120 41.5583 178.8566 52 N 4.3050 8.2567 116.9216 57.0001 38.7454 176.6825 53 E 4.0512 8.3979 119.8652 59.5016 29.5437 179.3783 54 I 3.7638 8.3957 120.3193 64.2453 37.0289 178.7450 55 V 3.5838 8.3126 119.5560 66.1472 31.4063 178.3646 56 R 3.9369 8.3401 118.1226 59.1746 29.8555 179.0987 57 S 4.9661 8.3558 114.4997 61.1361 62.2648 176.0367 58 Q 4.0563 8.1617 121.1339 58.9383 28.8844 177.4442 59 S 4.4158 8.1590 113.6354 57.8826 63.3446 173.5469 60 N 4.4217 7.8820 118.0796 54.6662 37.3545 175.4173 61 L 4.6370 7.7745 121.9763 55.1838 40.6280 177.4320 62 D 4.8949 9.0253 129.6879 54.1075 40.6357 174.4180 63 I 5.1198 7.6540 119.7524 59.6627 41.4201 173.9718 64 L 5.0124 8.8607 126.9699 53.3339 45.1853 174.9652 65 F 5.4291 9.0290 127.7874 56.7828 42.1008 172.8399 66 L 5.4084 9.4578 126.4456 52.8821 45.2534 176.1328 67 G 4.5200 9.3332 108.7540 44.4245 0.0000 171.5353 68 A 5.3909 8.3684 122.8950 49.9880 21.5110 175.8203 69 F 4.9885 9.5410 121.4571 55.5875 42.2990 174.3931 70 A 5.0480 8.9320 126.6447 49.7137 20.0007 176.1050 71 D 4.3539 9.1716 122.2221 56.5369 37.8811 175.7243 72 S 4.3293 8.7130 112.7649 58.2452 61.6457 168.0240 73 T 4.5298 7.4067 117.1873 62.1650 69.4444 173.8314 74 L 3.8273 8.5463 129.2771 55.0206 42.5774 176.0775 75 I 4.3234 8.0655 117.6547 60.0113 39.4494 174.6668 76 G 4.3771 7.6262 108.7549 46.3459 0.0000 172.1384 77 F 5.5889 8.0479 113.6951 55.9098 41.6787 172.9231 78 I 5.2431 9.3316 120.1773 59.4452 41.9104 173.6769 79 E 4.9756 9.5979 128.4535 54.6058 32.8102 174.1167 80 L 5.2937 9.3069 126.5174 52.7953 45.8182 175.1575 81 K 5.0153 8.8729 122.1111 54.8418 34.8813 174.6506 82 I 5.0046 8.5133 128.4751 59.7259 39.3283 175.4637 83 I 4.4779 8.2285 126.6623 60.3489 41.0462 174.7570 84 A 3.5506 8.3482 128.9290 54.0603 16.9550 176.8941 85 N 4.9655 8.6216 112.5694 55.2795 39.1039 174.1743 86 K 4.9763 8.0926 116.1663 54.7287 36.8756 175.3097 87 A 5.3218 9.0417 123.4909 50.1673 23.1095 174.5060 88 E 5.0426 8.7948 120.0509 54.3386 32.8012 175.0620 89 L 4.6389 9.0234 130.1785 54.4070 41.0768 176.2706 90 L 4.3782 8.5996 125.9431 57.3964 42.3302 177.8421 91 R 5.1330 8.3660 116.5388 54.9000 35.1997 174.5480 92 L 4.9118 8.2408 124.6993 54.4582 44.6944 174.2787 93 Y 4.6265 8.1802 123.7259 56.3604 42.5065 174.3946 94 L 5.2058 8.2644 121.7936 52.2179 46.0776 176.5428 95 K 4.0241 8.8418 120.8937 56.1124 32.7734 176.5627 96 P 3.4067 0.0000 0.0000 65.6195 31.1966 178.2185 97 E 3.8434 7.8815 115.3517 58.4520 29.4756 176.9173 98 Y 4.2515 7.9768 115.5519 57.6006 38.1850 175.8282 99 T 3.9849 7.3696 111.2738 62.0382 69.5866 173.6895 100 H 4.0769 8.6523 117.8793 57.3653 28.0423 174.8028 101 K 4.4694 7.4527 113.6396 55.3996 32.8840 177.2132 102 K 4.1435 8.2511 117.2046 57.2165 29.5715 178.1561 103 I 3.9311 7.6429 121.9463 64.0418 37.0112 178.3545 104 G 3.2514 7.8151 106.2228 47.6301 0.0000 175.2940 105 K 4.2111 8.2848 122.2287 59.7192 32.2494 178.7049 106 T 3.9405 8.0662 115.8042 66.5470 68.3287 176.6970 107 L 4.0641 8.0705 120.9188 57.7192 41.6060 179.1948 108 L 4.1113 8.2079 120.2578 58.4016 41.9585 179.0876 109 L 4.0515 8.2772 118.8815 57.7014 41.5060 179.4024 110 E 3.9668 8.2336 117.9510 59.4131 29.2497 179.1777 111 A 4.0614 8.0000 119.4287 55.3717 18.5272 179.2531 112 E 3.8900 8.2913 116.2518 59.2011 29.7673 179.1377 113 K 4.1015 8.3631 120.1153 59.3275 32.3167 179.1595 114 I 3.7411 7.5932 119.5431 61.5082 37.2002 177.9951 *116 K 4.1200 8.0870 122.9602 56.2845 33.8675 177.4991 117 K 3.9157 7.9638 119.0674 59.1505 32.0978 177.4664 118 K 4.1625 8.0723 115.5417 56.3182 32.2333 177.6464 119 G 3.8509 7.7680 107.4590 45.6081 0.0000 173.6007 120 I 4.2521 7.4560 119.9623 60.2965 37.2852 175.5404 121 L 4.8718 8.5596 124.4224 54.6155 43.3488 175.6124 122 E 5.1548 8.0658 120.0747 54.7444 33.5385 173.2909 123 C 5.5705 9.3904 126.1388 57.8678 35.4439 172.7711 124 R 5.3007 9.1872 121.2831 54.9768 33.3384 173.3991 125 L 4.9357 8.1358 118.1017 55.2276 44.0632 173.3027 126 Y 5.1888 8.7749 117.1313 56.1557 40.4025 175.6654 127 V 4.6513 8.8917 124.2838 59.6281 34.7855 174.6609 128 H 4.7979 9.3660 124.5990 55.6819 30.0910 176.1035 129 R 4.1223 8.3526 122.8362 59.1041 29.1150 177.4186 130 Q 4.2209 8.0183 114.6494 56.2041 29.3140 176.5909 131 N 4.4738 8.3094 119.0017 52.6775 37.1672 175.0200 132 S 4.2791 8.0175 122.1773 60.7130 63.4426 175.6926 133 V 3.6146 7.7262 120.8093 66.0106 31.2617 178.2240 134 G 3.3612 8.3178 105.0938 47.7212 0.0000 175.1791 135 F 4.3228 8.6495 124.4591 61.0353 39.2520 177.4214 136 S 3.0479 8.5035 114.0753 61.0044 62.6500 175.9046 137 F 3.8394 7.4414 122.9093 61.1049 39.2868 176.4488 138 Y 4.1780 7.5467 116.1404 61.2888 37.3878 178.3655 139 Y 4.6590 7.3691 119.6847 59.3283 37.8511 178.0541 140 K 4.1141 7.5365 119.5193 57.9168 32.1409 177.1162 141 N 4.7411 7.7390 116.7710 52.8797 39.0107 175.6236 142 G 3.7631 7.9310 104.6082 45.4355 0.0000 174.0146 143 F 4.6374 7.8285 118.0955 56.1464 40.8220 174.8960 144 K 4.7617 8.4051 121.3097 54.2371 35.3948 176.3536 145 V 3.9656 8.4026 124.1778 63.2105 31.6510 175.4667 146 E 4.5475 9.0091 125.8019 55.6382 31.5726 174.6632 147 D 4.4105 7.1525 117.2255 54.3694 43.9077 174.1191 148 T 5.0040 8.2862 109.7882 59.9307 72.0022 173.3708 149 D 4.4460 8.6966 122.1213 53.6202 43.8473 174.9520 150 G 3.7827 8.5803 118.9968 46.6593 0.0000 175.0757 151 S 4.0507 8.5048 115.9178 60.4988 63.5173 174.1833 152 D 5.1203 7.8022 120.9089 54.0166 42.3063 175.2915 153 F 5.0228 9.3146 120.1209 56.3626 41.2814 175.6796 154 I 4.8000 8.8138 123.6726 59.2040 39.7618 174.3008 *156 E 4.6599 8.3934 123.4458 56.1942 31.1620 174.1864 157 K 4.4545 9.4050 126.7038 54.3713 35.3552 174.9491 158 K 4.8106 8.1776 125.3585 54.6879 35.1172 175.7377 159 Y 4.3363 8.4773 119.5284 58.2382 38.1997 175.5788 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 2 S 8.19 4.55 0.00 3.83 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 3 I 8.52 4.75 1.92 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 1.40 0.49 0.96 0.00 0.00 4 E 10.13 4.80 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 5 I 8.69 5.54 1.96 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 1.10 2.05 1.07 0.00 0.00 6 R 8.65 4.84 0.00 1.84 1.97 0.00 2.81 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 7 K 8.67 4.62 0.00 1.72 1.85 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.56 7.81 8 L 8.75 4.65 0.00 1.32 1.44 0.26 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.81 4.79 0.00 3.88 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.23 3.67 1.84 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 1.62 0.60 0.88 0.00 0.00 11 E 8.06 4.15 0.00 1.93 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 0.00 2.30 2.44 0.00 12 D 8.27 4.63 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.80 0.00 1.79 1.66 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.10 3.98 0.00 2.04 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 2.38 2.35 0.00 15 T 7.81 4.04 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 1.22 0.00 0.00 16 L 7.72 3.81 0.00 1.71 1.76 0.14 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.70 3.64 1.84 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 1.68 0.67 0.88 0.00 0.00 18 E 7.96 3.97 0.00 1.95 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 2.50 2.46 0.00 19 V 8.06 3.60 2.40 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 1.28 0.00 0.00 1.04 0.00 0.00 20 A 8.23 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.13 3.80 0.00 1.91 2.11 0.00 3.13 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 22 E 8.36 4.01 0.00 2.22 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 0.00 2.34 2.36 0.00 23 S 8.75 4.31 0.00 4.21 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 0.00 24 W 8.86 4.29 0.00 3.56 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 25 K 8.45 4.10 0.00 1.89 2.06 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.83 7.81 26 W 8.16 4.31 0.00 3.34 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.31 3.21 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 0.10 0.00 0.00 28 Y 7.49 4.39 0.00 3.00 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 29 A 7.52 3.94 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 30 G 7.78 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 31 I 7.63 3.92 1.45 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 0.98 0.43 -0.25 0.00 0.00 32 Y 7.20 4.78 0.00 2.93 2.42 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 33 S 8.32 4.62 0.00 4.14 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.90 4.09 0.00 2.10 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 2.50 2.51 0.00 35 E 8.22 4.02 0.00 2.14 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 0.00 2.44 2.47 0.00 36 Y 7.95 4.05 0.00 3.12 3.19 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 37 I 8.25 4.05 2.29 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.01 1.26 0.00 0.00 38 E 8.38 4.08 0.00 2.17 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 2.31 2.37 0.00 39 S 8.48 4.04 0.00 3.87 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 40 W 8.25 3.68 0.00 3.08 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 41 I 8.06 3.61 1.81 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 1.47 0.71 0.82 0.00 0.00 42 R 7.58 3.82 0.00 1.92 1.98 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 43 E 8.08 4.06 0.00 1.54 1.68 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 2.14 2.35 0.00 44 K 7.61 3.84 0.00 0.81 1.24 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.30 0.88 7.81 45 Y 7.27 4.48 0.00 2.95 2.88 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 46 S 7.64 4.37 0.00 3.98 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 47 K 8.52 3.79 0.00 1.81 1.83 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.52 7.81 48 E 8.03 3.92 0.00 2.04 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 2.36 2.43 0.00 49 K 7.64 3.89 0.00 1.64 1.75 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 50 L 7.88 4.05 0.00 1.66 1.66 1.05 0.59 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 51 L 7.96 3.87 0.00 1.89 1.69 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.26 4.30 0.00 2.81 2.98 0.00 0.00 7.32 7.18 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 53 E 8.40 4.05 0.00 2.43 2.34 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 2.35 2.45 0.00 54 I 8.40 3.76 2.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.21 0.85 0.00 0.00 55 V 8.31 3.58 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 1.11 0.00 0.00 1.02 0.00 0.00 56 R 8.34 3.94 0.00 1.93 2.12 0.00 3.19 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 57 S 8.36 4.97 0.00 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 0.00 58 Q 8.16 4.06 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 59 S 8.16 4.42 0.00 3.93 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 60 N 7.88 4.42 0.00 2.93 2.96 0.00 0.00 6.86 7.86 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 61 L 7.77 4.64 0.00 1.76 0.74 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 D 9.03 4.89 0.00 2.85 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 63 I 7.65 5.12 2.14 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 1.26 1.04 1.02 0.00 0.00 64 L 8.86 5.01 0.00 1.77 1.53 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.03 5.43 0.00 3.14 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 66 L 9.46 5.41 0.00 1.79 1.67 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.33 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.37 5.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.54 4.99 0.00 2.94 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 70 A 8.93 5.05 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 71 D 9.17 4.35 0.00 2.88 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 72 S 8.71 4.33 0.00 3.97 4.19 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 73 T 7.41 4.53 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 1.19 0.00 0.00 74 L 8.55 3.83 0.00 1.27 1.44 0.21 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.07 4.32 0.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.81 0.21 0.00 0.00 76 G 7.63 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 77 F 8.05 5.59 0.00 3.48 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 78 I 9.33 5.24 1.97 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 1.23 1.75 1.05 0.00 0.00 79 E 9.60 4.98 0.00 1.16 1.54 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 0.00 1.89 1.47 0.00 80 L 9.31 5.29 0.00 1.64 1.56 1.01 0.62 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 81 K 8.87 5.02 0.00 1.79 1.65 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.52 7.81 82 I 8.51 5.00 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.65 0.99 0.00 0.00 83 I 8.23 4.48 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.30 0.93 0.00 0.00 84 A 8.35 3.55 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 85 N 8.62 4.97 0.00 2.82 2.84 0.00 0.00 6.59 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.09 4.98 0.00 1.73 1.69 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 87 A 9.04 5.32 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 88 E 8.79 5.04 0.00 2.14 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 2.31 2.51 0.00 89 L 9.02 4.64 0.00 1.75 1.56 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 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2.18 0.00 98 Y 7.98 4.25 0.00 2.98 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 99 T 7.37 3.98 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 0.95 0.00 0.00 100 H 8.65 4.08 0.00 3.28 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.45 4.47 0.00 1.89 1.77 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.49 7.81 102 K 8.25 4.14 0.00 2.00 2.04 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 103 I 7.64 3.93 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.93 0.89 0.00 0.00 104 G 7.82 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 0.00 0.00 0.00 105 K 8.28 4.21 0.00 2.06 2.12 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.64 7.81 106 T 8.07 3.94 4.45 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.93 0.00 0.00 *116 K 8.09 4.12 0.00 1.67 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.40 7.81 117 K 7.96 3.92 0.00 1.77 2.04 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.42 7.81 118 K 8.07 4.16 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.51 7.81 119 G 7.77 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 0.00 120 I 7.46 4.25 1.85 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 1.45 1.29 0.99 0.00 0.00 121 L 8.56 4.87 0.00 1.65 1.90 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.07 5.15 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 123 C 9.39 5.57 0.00 3.31 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 9.19 5.30 0.00 1.90 2.02 0.00 2.90 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 125 L 8.14 4.94 0.00 1.57 1.57 0.41 -1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.77 5.19 0.00 2.86 3.17 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 0.00 127 V 8.89 4.65 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 1.15 0.00 0.00 1.22 0.00 0.00 128 H 9.37 4.80 0.00 3.31 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.35 4.12 0.00 1.42 1.54 0.00 2.91 0.00 0.00 2.95 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 130 Q 8.02 4.22 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.41 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 131 N 8.31 4.47 0.00 2.71 2.86 0.00 0.00 7.15 7.67 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 0.00 132 S 8.02 4.28 0.00 3.86 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 0.00 133 V 7.73 3.61 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 1.05 0.00 0.00 0.75 0.00 0.00 134 G 8.32 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 0.00 0.00 0.00 135 F 8.65 4.32 0.00 3.21 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 0.00 136 S 8.50 3.05 0.00 3.76 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 0.00 137 F 7.44 3.84 0.00 2.78 2.88 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 0.00 138 Y 7.55 4.18 0.00 2.98 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 0.00 139 Y 7.37 4.66 0.00 2.92 2.84 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 0.00 140 K 7.54 4.11 0.00 1.61 1.75 0.00 1.46 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.13 7.81 141 N 7.74 4.74 0.00 2.39 2.68 0.00 0.00 7.10 7.01 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 0.00 142 G 7.93 3.76 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 0.00 0.00 0.00 143 F 7.83 4.64 0.00 3.07 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 0.00 144 K 8.41 4.76 0.00 1.55 1.61 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.25 7.81 145 V 8.40 3.97 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 0.77 0.00 0.00 0.72 0.00 0.00 146 E 9.01 4.55 0.00 1.90 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 2.39 2.48 0.00 147 D 7.15 4.41 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 5.00 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 1.24 0.00 0.00 149 D 8.70 4.45 0.00 2.87 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 0.00 150 G 8.58 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 0.00 151 S 8.50 4.05 0.00 3.65 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 0.00 152 D 7.80 5.12 0.00 2.98 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 0.00 153 F 9.31 5.02 0.00 3.10 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 0.00 154 I 8.81 4.80 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 1.47 0.64 0.00 0.00 *156 E 8.39 4.66 0.00 2.09 1.85 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 2.21 2.31 0.00 157 K 9.41 4.45 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.58 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.79 7.81 158 K 8.18 4.81 0.00 1.46 1.55 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.31 7.81 159 Y 8.48 4.34 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.