NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3487 8.2649 123.5839 52.6217 19.8540 179.5398 6 T 4.0223 8.4827 113.7084 67.2340 68.6144 174.6100 7 R 3.9455 8.8095 121.6913 59.3540 30.2200 178.2972 8 R 3.9339 7.8932 116.8273 59.1035 30.5051 178.5310 9 V 3.7748 7.7803 117.4886 66.2169 31.5983 177.9878 10 V 3.4651 7.6593 117.4997 66.0011 30.9702 178.1269 11 S 4.1282 7.6339 113.7981 61.7061 62.7092 175.3776 12 E 4.1672 7.9171 116.4020 57.4652 29.4376 176.6820 13 I 4.1770 7.2742 121.5006 58.8886 37.7982 173.9718 14 P 4.3445 0.0000 0.0000 62.8057 31.6149 176.7866 15 V 4.0892 8.1947 115.8072 60.9809 32.5126 175.6705 16 L 4.5961 8.5072 122.3180 54.1503 42.6903 177.1920 17 K 4.7524 8.7300 119.3185 56.2474 33.2326 177.0492 18 T 4.3623 7.8836 115.2850 62.1496 71.2737 173.9055 19 N 4.6025 8.7261 126.3430 52.3888 37.9010 173.5559 20 A 4.8944 8.2164 126.0420 50.6805 22.5295 175.5391 21 G 4.2334 9.1559 110.1509 42.7633 0.0000 173.3996 22 P 2.0000 0.0000 0.0000 62.2724 30.0888 176.8551 23 R 4.4862 8.0964 115.2061 56.6103 31.8753 174.3520 24 D 4.8757 8.1498 116.0767 55.7199 43.1245 180.6964 25 R 3.5529 8.7239 120.2231 56.8315 30.2773 177.6242 26 E 3.9962 9.6754 127.7348 60.5679 29.7500 176.6940 27 L 4.1188 8.2404 118.6408 57.2620 41.5729 179.1787 28 W 4.5202 8.3703 128.1501 60.4729 30.6343 177.8034 29 V 3.6305 7.7932 117.6875 66.0955 30.9659 177.4781 30 Q 3.9431 7.7855 119.1273 59.3725 28.8630 178.5345 31 R 3.7998 8.1940 119.6774 59.2671 30.0307 177.9093 32 L 3.3760 7.9454 121.1178 58.1075 41.8508 179.1449 33 K 4.2300 8.3693 118.5149 59.5739 31.9191 179.0210 34 E 3.9585 8.0671 118.8203 59.4170 29.3432 178.8461 35 E 3.8632 8.4145 119.4279 59.6931 29.5857 178.3339 36 Y 4.3657 7.9199 116.6950 61.4565 38.1181 178.9402 37 Q 4.0761 8.5375 118.9899 59.1009 28.7996 178.9540 38 S 4.1691 8.5507 114.5202 61.1778 62.3451 176.1520 39 L 4.2122 8.4478 122.3934 57.8544 41.4358 179.3555 40 I 3.6993 8.1664 113.3385 64.2967 37.2517 178.3119 41 R 3.9399 7.9941 119.6560 58.9767 29.6351 178.2859 42 Y 4.3664 8.2909 119.3308 60.9224 38.7499 178.3201 43 V 3.2276 8.0893 119.3293 66.0002 31.4488 177.8519 44 E 3.9558 8.3023 118.2651 59.5197 29.3394 179.0720 45 N 4.4099 8.5215 116.7269 56.4245 38.5381 177.2256 46 N 4.4653 8.4220 117.9788 56.2579 38.5399 177.6694 47 K 3.9993 8.2838 119.9742 59.6327 31.9631 179.1672 48 N 4.3511 8.4511 115.7133 55.6832 38.4332 176.2248 49 A 4.4818 7.8207 119.7589 50.4866 20.1639 176.4618 50 D 4.4079 8.1967 117.2033 55.9363 39.9256 173.3823 51 N 5.0228 8.8799 110.7433 52.9303 39.9909 173.4261 52 D 4.4256 8.6353 117.2519 54.1865 41.2656 174.9855 53 W 3.6992 7.9853 122.5206 55.2682 29.8843 174.3091 54 F 4.4173 6.1255 113.3240 56.2279 40.1152 173.4533 55 R 4.3701 8.9206 117.8248 54.4478 34.3754 174.1784 56 L 5.3379 8.5875 124.6299 53.5139 45.2575 174.9292 57 E 4.9607 9.0189 124.4606 54.6016 34.2927 174.3243 58 S 4.1363 7.6547 114.2724 56.2951 65.9260 172.6663 59 N 4.7768 7.8851 118.5393 51.4180 38.8416 175.0304 60 K 4.0174 8.7454 116.8752 60.0162 31.9261 178.5651 61 E 4.2131 8.1584 115.3498 57.2993 29.7364 177.5062 62 G 3.8703 8.5057 106.9438 46.3967 0.0000 174.2386 63 T 4.6319 8.1402 110.4893 61.5799 71.1447 174.0890 64 R 4.9658 8.0049 121.3630 54.0670 33.8759 174.4063 65 W 5.0628 9.0464 123.3186 54.7365 32.8842 174.4608 66 F 5.2709 8.4729 117.3408 55.1498 41.6629 174.3970 67 G 4.4324 8.1350 104.5516 46.4240 0.0000 171.4141 68 K 5.4182 8.0169 118.6502 56.0970 36.5823 174.9971 69 C 5.4759 9.4985 115.2246 56.6114 33.4271 172.7516 70 W 6.2636 9.0205 116.6260 55.5275 31.5048 173.6111 71 Y 4.9717 9.5695 121.5261 56.2528 41.8781 173.7049 72 I 5.5423 8.1215 127.0978 59.6236 38.7368 174.6032 73 H 4.5914 8.8947 126.5498 55.0990 32.3194 172.9789 74 D 4.2891 9.3781 128.6001 55.5463 38.0079 175.5458 75 L 4.0216 8.0097 118.7755 55.4896 41.4643 176.0828 76 L 4.1874 7.8065 117.9118 54.4403 42.9670 176.1086 77 K 4.9051 8.4572 123.1880 55.0906 34.1559 174.7015 78 Y 4.5848 9.5222 126.0615 56.4650 39.8906 174.4321 79 E 5.4330 8.5417 125.4944 54.9046 31.9492 175.0667 80 F 5.1658 9.4304 123.4303 55.8995 43.7752 173.8150 81 D 5.3500 9.3035 123.2151 54.4045 42.1023 175.4924 82 I 5.2058 8.9519 115.7753 59.6507 41.5157 173.7484 83 E 5.3497 8.5032 119.6607 56.0238 33.1958 173.9501 84 F 4.8288 8.0564 113.3973 56.7199 41.4322 172.2906 85 D 5.5095 8.9447 119.7309 52.6008 43.4423 176.1014 86 I 4.0217 8.6276 123.9630 60.3153 37.6195 174.7030 87 P 4.4427 0.0000 0.0000 62.0832 31.9249 177.5405 88 I 3.6627 8.2872 120.9113 63.8128 38.2736 176.7119 89 T 4.3900 7.8009 108.8427 61.4441 68.9982 173.9140 90 Y 4.6854 7.9212 124.5940 57.4695 38.2979 174.3726 91 P 2.9700 0.0000 0.0000 63.0389 31.8119 177.9757 92 T 4.0322 7.6463 115.9345 65.8632 68.5256 174.3718 93 T 4.4251 7.2559 117.6274 61.0684 70.2461 173.8164 94 A 3.6723 7.8047 129.5564 51.1960 18.7497 175.1540 95 P 4.3620 0.0000 0.0000 62.1481 32.2630 176.0465 96 E 4.2846 8.1752 118.9649 54.6357 29.6814 176.3476 97 I 4.0183 7.6820 125.1021 61.2998 38.7460 175.2966 98 A 5.0023 8.7129 126.6508 50.5501 23.2386 175.6103 99 V 4.7578 8.2840 121.9474 57.8958 32.1129 174.4165 100 P 4.2763 0.0000 0.0000 66.3346 31.5965 178.5773 101 E 4.0806 8.4747 115.4541 59.4271 29.7541 178.0865 102 L 4.3215 8.0390 116.4476 54.9521 42.2342 175.9953 103 D 4.4810 7.7066 118.5854 55.9073 41.1965 176.4396 104 G 3.9755 8.9344 114.5219 46.9989 0.0000 173.7473 105 K 4.5271 7.8579 114.8549 55.2794 33.8357 176.5758 106 T 4.0931 8.0131 111.0031 61.3439 69.3795 172.4179 107 A 4.1189 9.0529 133.1838 55.5619 18.5319 178.9310 108 K 4.1503 7.5915 115.0808 56.6019 29.4711 175.3372 *110 Y 4.4103 7.4802 120.3800 57.0699 39.6490 174.4915 111 R 3.9850 8.4211 120.2373 57.9189 30.5373 177.2152 112 G 3.9539 8.9994 111.9236 45.6484 0.0000 174.1884 113 G 3.9127 8.0336 107.9142 44.9150 0.0000 173.4910 114 K 4.5647 7.3270 117.8512 56.1260 32.4172 177.4044 115 I 3.6552 8.5571 126.0821 61.1671 38.0936 175.8465 116 C 4.7367 8.1920 118.5709 56.4921 31.4520 173.7914 117 L 4.3622 8.2733 124.9476 53.9534 42.7159 177.0167 118 T 4.2860 8.1862 108.8699 61.5561 69.4342 175.4286 119 D 4.4322 8.6272 122.5561 57.6503 39.6980 177.2831 120 H 4.5613 8.1558 114.5053 56.4241 28.9569 176.6201 121 F 4.1936 8.2627 123.0827 60.0991 39.2792 176.8703 122 K 3.8345 8.2806 118.5032 59.3611 32.1341 176.6576 123 P 4.2250 0.0000 0.0000 65.5108 31.0782 178.1677 124 L 3.8700 7.0745 117.6669 57.8546 42.2291 178.6796 125 W 3.9383 7.9119 127.8415 60.3744 30.1709 177.6131 126 A 4.1080 8.1696 121.0213 55.2183 17.6198 179.0414 127 R 4.1159 7.6270 110.8717 57.1829 30.0380 176.6475 128 N 4.3467 7.5221 116.5235 52.6515 40.0588 174.8178 129 V 3.4152 6.6804 117.5971 63.0370 30.9303 173.6548 130 P 4.6413 0.0000 0.0000 62.3609 31.7049 177.1559 131 K 4.3501 7.7853 121.4208 59.1687 32.1206 177.3950 132 F 4.3675 6.7389 113.7263 56.6527 39.8438 175.3701 133 G 4.5611 8.1293 111.9933 44.0262 0.0000 172.5477 134 L 3.9085 10.1236 119.2279 57.9045 41.7932 178.4909 135 A 4.2253 8.2136 119.9007 55.7422 18.5924 178.3979 136 H 3.8602 8.1401 112.3150 58.9492 28.9178 177.9666 137 L 4.2331 8.3467 118.0638 56.2099 41.7974 178.1978 *139 A 4.5250 7.9009 120.5654 51.5218 20.0965 178.5204 140 L 4.4429 8.8013 114.8415 55.3314 43.0505 177.3827 141 G 3.3472 8.1976 108.3023 45.7919 0.0000 175.3573 142 L 4.0295 8.8294 121.1593 58.8728 42.7665 177.7151 143 G 3.0900 8.3253 102.6241 48.2506 0.0000 173.1718 144 P 4.1405 0.0000 0.0000 64.2806 31.6033 178.5380 145 W 3.8425 7.8564 127.2293 60.5866 30.6806 177.9992 146 L 3.8571 8.8512 118.9904 57.6957 40.8154 179.3645 147 A 3.8217 7.6961 119.9007 54.8773 18.4868 179.5353 148 V 3.5353 7.2170 115.8760 65.7735 31.7936 178.2553 149 E 3.4433 7.3704 118.2644 59.1063 29.1065 179.0962 150 I 3.3150 6.8720 119.8841 63.8903 37.1517 176.7371 151 P 4.0638 0.0000 0.0000 65.7138 31.0833 177.8907 152 D 4.1632 7.3697 117.2220 57.1697 41.1658 178.1984 153 L 3.9249 8.1988 119.7668 57.7771 41.6214 179.7180 154 I 3.8585 7.7521 120.1144 64.3207 36.8313 178.5001 155 Q 4.0437 7.8939 117.3628 58.9145 28.5343 178.0086 156 K 4.2275 7.8459 118.5229 56.7148 32.2639 177.8100 157 G 3.9093 7.6286 106.9025 45.8358 0.0000 174.8202 158 V 3.8099 7.8580 121.4420 64.1240 31.8219 176.3528 159 I 4.6912 7.5682 117.7395 59.0317 40.5115 173.9901 160 Q 4.9250 8.5836 124.4366 54.2537 32.2040 174.2949 161 H 4.5512 8.7312 119.2220 55.4134 30.9948 175.0915 162 K 4.0197 7.8063 125.5545 57.0471 31.8226 174.9643 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 5 A 8.26 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.48 4.02 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 1.21 0.00 0.00 7 R 8.81 3.95 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 8 R 7.89 3.93 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 9 V 7.78 3.77 2.29 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 1.15 0.00 0.00 1.01 0.00 0.00 10 V 7.66 3.47 2.22 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 0.88 0.00 0.00 0.87 0.00 0.00 11 S 7.63 4.13 0.00 4.11 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 12 E 7.92 4.17 0.00 2.15 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 2.38 2.44 0.00 13 I 7.27 4.18 1.81 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.55 0.00 0.00 14 P 0.00 4.34 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 15 V 8.19 4.09 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 0.77 0.00 0.00 0.93 0.00 0.00 16 L 8.51 4.60 0.00 1.79 1.72 0.92 0.99 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 17 K 8.73 4.75 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.50 7.81 18 T 7.88 4.36 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 1.26 0.00 0.00 19 N 8.73 4.60 0.00 2.66 2.77 0.00 0.00 6.97 7.96 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 20 A 8.22 4.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.16 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 2.00 0.00 1.60 1.02 0.00 3.53 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 23 R 8.10 4.49 0.00 1.55 1.82 0.00 3.20 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 24 D 8.15 4.88 0.00 3.06 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 25 R 8.72 3.55 0.00 2.01 1.48 0.00 3.18 0.00 0.00 3.30 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 26 E 9.68 4.00 0.00 2.13 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 2.42 2.53 0.00 27 L 8.24 4.12 0.00 1.98 1.82 0.97 0.71 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 28 W 8.37 4.52 0.00 3.61 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 29 V 7.79 3.63 2.33 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 1.03 0.00 0.00 1.06 0.00 0.00 30 Q 7.79 3.94 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 31 R 8.19 3.80 0.00 2.00 2.00 0.00 3.23 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.54 0.00 32 L 7.95 3.38 0.00 1.17 1.64 0.66 0.87 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 33 K 8.37 4.23 0.00 1.98 1.91 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.71 7.81 34 E 8.07 3.96 0.00 2.26 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 2.34 2.42 0.00 35 E 8.41 3.86 0.00 2.02 1.73 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 2.02 2.17 0.00 36 Y 7.92 4.37 0.00 3.24 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 37 Q 8.54 4.08 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 38 S 8.55 4.17 0.00 4.06 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 39 L 8.45 4.21 0.00 2.02 1.88 1.02 0.82 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 40 I 8.17 3.70 1.90 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 1.59 0.82 1.04 0.00 0.00 41 R 7.99 3.94 0.00 2.18 2.10 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 42 Y 8.29 4.37 0.00 3.07 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 43 V 8.09 3.23 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 0.85 0.00 0.00 0.48 0.00 0.00 44 E 8.30 3.96 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 2.50 2.51 0.00 45 N 8.52 4.41 0.00 3.03 3.12 0.00 0.00 7.06 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 46 N 8.42 4.47 0.00 2.81 3.10 0.00 0.00 7.04 7.25 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 47 K 8.28 4.00 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.66 7.81 48 N 8.45 4.35 0.00 2.87 2.92 0.00 0.00 6.99 7.02 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 49 A 7.82 4.48 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.20 4.41 0.00 2.78 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 51 N 8.88 5.02 0.00 2.68 2.82 0.00 0.00 6.97 9.03 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 52 D 8.64 4.43 0.00 2.80 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 53 W 7.99 3.70 0.00 3.39 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 6.13 4.42 0.00 2.63 1.63 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 55 R 8.92 4.37 0.00 1.85 1.83 0.00 3.21 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 56 L 8.59 5.34 0.00 1.95 1.78 1.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.02 4.96 0.00 1.16 1.42 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 2.14 2.13 0.00 58 S 7.65 4.14 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.89 4.78 0.00 2.85 2.94 0.00 0.00 7.00 6.48 0.00 0.00 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 K 8.75 4.02 0.00 1.78 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 61 E 8.16 4.21 0.00 2.05 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 0.00 2.37 2.34 0.00 62 G 8.51 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 63 T 8.14 4.63 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 1.16 0.00 0.00 64 R 8.00 4.97 0.00 1.78 1.86 0.00 3.12 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 65 W 9.05 5.06 0.00 1.78 2.50 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 66 F 8.47 5.27 0.00 3.08 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 67 G 8.14 4.43 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 0.00 0.00 0.00 68 K 8.02 5.42 0.00 2.12 2.08 0.00 1.36 0.00 0.00 2.05 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.77 7.81 69 C 9.50 5.48 0.00 3.46 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 70 W 9.02 6.26 0.00 3.49 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 71 Y 9.57 4.97 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.12 5.54 1.83 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 1.02 0.00 0.00 73 H 8.89 4.59 0.00 3.38 3.37 0.00 5.88 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.38 4.29 0.00 3.00 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 75 L 8.01 4.02 0.00 1.83 1.86 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.81 4.19 0.00 1.94 1.24 0.87 0.42 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 77 K 8.46 4.91 0.00 1.75 1.67 0.00 1.49 0.00 0.00 1.07 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.58 7.81 78 Y 9.52 4.58 0.00 3.43 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.54 5.43 0.00 1.98 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 2.40 2.79 0.00 80 F 9.43 5.17 0.00 3.22 3.04 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 81 D 9.30 5.35 0.00 2.77 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 82 I 8.95 5.21 2.04 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 1.60 1.11 1.12 0.00 0.00 83 E 8.50 5.35 0.00 2.18 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 2.26 2.29 0.00 84 F 8.06 4.83 0.00 3.08 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 85 D 8.94 5.51 0.00 2.62 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 86 I 8.63 4.02 1.90 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.45 0.79 0.00 0.00 87 P 0.00 4.44 0.00 2.25 1.98 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 88 I 8.29 3.66 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.91 0.00 0.00 89 T 7.80 4.39 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 1.22 0.00 0.00 90 Y 7.92 4.69 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 2.97 0.00 1.88 1.55 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 1.92 1.87 0.00 92 T 7.65 4.03 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 1.24 0.00 0.00 93 T 7.26 4.43 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 1.19 0.00 0.00 94 A 7.80 3.67 -0.36 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 95 P 0.00 4.36 0.00 1.50 2.18 0.00 3.33 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 96 E 8.18 4.28 0.00 1.87 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 2.06 2.16 0.00 97 I 7.68 4.02 1.59 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 0.78 0.24 0.78 0.00 0.00 98 A 8.71 5.00 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 99 V 8.28 4.76 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 0.78 0.00 0.00 1.06 0.00 0.00 100 P 0.00 4.28 0.00 2.27 2.23 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.19 0.00 101 E 8.47 4.08 0.00 2.25 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 2.44 2.49 0.00 102 L 8.04 4.32 0.00 1.91 1.78 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.71 4.48 0.00 2.81 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 0.00 104 G 8.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.86 4.53 0.00 1.85 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.66 7.81 106 T 8.01 4.09 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 1.36 0.00 0.00 107 A 9.05 4.12 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 0.00 108 K 7.59 4.15 0.00 1.74 1.84 0.00 1.93 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 *110 Y 7.48 4.41 0.00 3.29 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 0.00 111 R 8.42 3.98 0.00 1.97 1.84 0.00 3.32 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 112 G 9.00 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 0.00 113 G 8.03 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 0.00 0.00 0.00 114 K 7.33 4.56 0.00 1.75 1.73 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.41 7.81 115 I 8.56 3.66 1.44 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 0.88 -0.03 0.09 0.00 0.00 116 C 8.19 4.74 0.00 2.89 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.27 4.36 0.00 1.46 1.57 0.78 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.19 4.29 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 1.27 0.00 0.00 119 D 8.63 4.43 0.00 2.55 2.77 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 0.00 0.00 0.00 120 H 8.16 4.56 0.00 3.33 3.39 0.00 5.81 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 0.00 121 F 8.26 4.19 0.00 3.25 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 0.00 122 K 8.28 3.83 0.00 2.04 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.67 7.81 123 P 0.00 4.22 0.00 2.20 2.08 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 124 L 7.07 3.87 0.00 1.73 1.86 0.96 1.19 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 0.00 125 W 7.91 3.94 0.00 2.99 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 0.00 126 A 8.17 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.63 4.12 0.00 1.88 1.96 0.00 2.95 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.49 0.00 128 N 7.52 4.35 0.00 1.62 1.42 0.00 0.00 6.56 7.10 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 0.00 129 V 6.68 3.42 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 0.68 0.00 0.00 0.92 0.00 0.00 130 P 0.00 4.64 0.00 2.14 2.29 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 131 K 7.79 4.35 0.00 1.74 1.75 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 132 F 6.74 4.37 0.00 1.68 1.73 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 0.00 133 G 8.13 4.56 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 0.00 0.00 0.00 134 L 10.12 3.91 0.00 1.25 1.52 -0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.21 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 8.14 3.86 0.00 3.14 2.50 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.35 4.23 0.00 1.99 1.80 0.63 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 7.90 4.53 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.80 4.44 0.00 1.94 2.05 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.20 3.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.83 4.03 0.00 1.79 2.04 1.07 1.09 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 0.00 143 G 8.33 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 0.00 0.00 0.00 144 P 0.00 4.14 0.00 2.16 2.08 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 145 W 7.86 3.84 0.00 3.37 3.34 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 0.00 146 L 8.85 3.86 0.00 1.75 1.66 1.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.70 3.82 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 0.00 148 V 7.22 3.54 1.72 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 0.78 0.00 0.00 0.77 0.00 0.00 149 E 7.37 3.44 0.00 1.16 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 1.47 1.47 0.00 150 I 6.87 3.31 0.90 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 1.32 0.65 0.77 0.00 0.00 151 P 0.00 4.06 0.00 2.24 2.42 0.00 3.11 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 152 D 7.37 4.16 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.20 3.92 0.00 1.69 1.62 0.72 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.75 3.86 1.72 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.78 0.00 0.00 155 Q 7.89 4.04 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 156 K 7.85 4.23 0.00 1.73 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.43 1.56 7.81 157 G 7.63 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 0.00 0.00 0.00 158 V 7.86 3.81 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 0.80 0.00 0.00 0.92 0.00 0.00 159 I 7.57 4.69 1.97 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 1.68 1.76 0.94 0.00 0.00 160 Q 8.58 4.92 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 161 H 8.73 4.55 0.00 2.68 3.09 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 7.81 4.02 0.00 1.70 1.54 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.