NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3080 8.1849 122.4916 54.6975 43.2692 175.7815 6 L 4.6425 8.0346 124.7996 51.5978 44.8257 175.8798 7 K 3.8848 9.1549 126.0294 59.4567 33.7914 178.3047 8 A 4.0090 8.1462 121.3091 55.1283 18.3083 178.4889 9 L 4.4303 7.5352 112.7906 55.6525 41.9318 177.6393 10 R 4.2878 7.7730 117.2683 55.9898 30.6100 176.6423 11 S 4.0848 7.3243 112.3789 59.1757 63.1412 174.3299 12 D 4.8856 8.4294 128.3828 52.5243 41.5289 176.0038 13 S 4.1369 8.3494 116.8365 61.9712 63.2626 176.6508 14 Y 3.9221 8.1851 116.7020 59.8214 37.7178 176.4589 15 V 4.3844 7.8252 117.8508 62.7005 32.0699 175.7619 16 E 4.3237 7.7112 117.9713 56.6736 29.9426 176.7479 17 L 4.4293 8.2768 121.1175 54.9050 42.5166 177.8232 18 S 4.7133 8.3510 116.1176 57.7213 65.4141 173.6010 19 Q 4.3652 8.4666 117.9562 56.4967 29.0839 175.4288 20 Y 4.1387 7.6274 119.8353 57.3970 39.3981 175.1522 21 R 4.3074 6.7569 124.2141 54.0744 34.2967 174.1728 22 D 4.2437 9.1806 123.1962 54.3705 41.0915 176.9953 23 Q 4.0735 8.4970 126.5496 58.6999 28.8905 177.0158 24 H 4.7151 8.4599 113.4065 55.5951 29.2306 175.3128 25 F 4.1980 7.9406 123.0185 58.5745 39.7199 176.2054 26 R 4.0838 7.5788 128.7676 52.5416 28.3149 175.1908 27 G 3.9022 7.0554 110.0109 45.2012 0.0000 169.5722 28 D 4.7308 7.7317 119.0567 52.0163 40.8253 176.7184 29 N 4.1980 8.8512 117.4193 57.1816 38.5566 176.2298 30 E 3.8864 8.2267 119.9605 59.1194 29.7745 178.3340 31 E 3.9809 8.5469 119.5607 59.2442 29.6933 178.5433 32 Q 3.2140 7.8977 119.1885 58.9728 29.0681 178.0474 33 E 3.8557 8.3611 119.9300 59.0438 29.2039 179.1190 34 K 3.8611 7.6736 119.0286 59.4736 32.5448 178.6295 35 L 4.1049 7.7990 119.0271 57.8436 41.5647 179.1687 36 L 3.9853 8.0178 119.1914 57.9104 41.3836 179.2311 37 K 3.8181 7.6445 115.1979 57.2269 32.2062 177.4919 38 K 4.3729 7.6676 116.6502 55.4476 34.1038 176.5643 39 S 4.3021 7.1971 113.0913 59.2005 62.7973 173.2866 40 C 5.2249 8.8148 120.1980 59.7148 30.4692 172.9195 41 T 5.2112 8.7406 117.4212 61.8544 70.7054 173.4274 42 L 5.3199 9.0665 125.7438 53.1706 45.4902 174.5663 43 Y 4.9364 9.2554 123.3306 56.0905 41.1712 174.3409 44 V 4.4614 7.9296 126.6108 60.9149 34.1434 174.6585 45 G 4.1360 8.9483 115.1654 44.3978 0.0000 171.9382 46 N 4.5289 8.6877 114.7615 54.4408 36.7660 174.3540 47 L 4.2912 7.4917 115.0217 53.6840 42.9055 176.8023 48 S 4.4199 8.2607 114.9572 57.9313 63.0497 175.0913 49 F 4.4762 8.7183 124.0558 59.4933 38.6574 175.8815 50 Y 4.7938 7.5499 117.1550 58.1231 38.5601 176.0970 51 T 4.2692 7.6541 118.0869 63.5985 69.2809 174.8361 52 T 4.5144 9.0403 117.5269 60.2332 72.1281 175.4982 53 E 3.9362 8.6275 122.0754 59.6070 29.5783 178.9518 54 E 4.0611 8.1814 118.0801 59.5736 29.6224 179.1929 55 Q 4.0697 7.8492 117.3106 59.1345 28.7332 178.9173 56 I 3.8925 7.8085 120.5999 64.4477 37.0437 178.2072 57 Y 3.7936 8.1285 117.7991 60.8457 37.4977 177.9658 58 E 3.9780 8.1771 119.0094 59.2091 30.1596 178.4435 59 L 4.0662 8.0879 120.1583 58.3967 42.3550 178.9123 60 F 4.1567 8.6553 117.1321 59.7814 38.8151 177.4681 61 S 4.8989 8.1417 116.0014 59.9410 62.4432 175.9644 62 K 4.2435 7.9327 120.4438 57.9870 31.8668 177.9473 63 S 4.8017 8.9989 112.6189 56.6700 64.2211 173.9169 64 G 4.3524 6.9968 111.7233 44.5381 0.0000 171.2955 65 D 4.7015 8.2246 119.9041 54.2471 41.3020 175.9906 66 I 3.9380 8.3222 125.0730 60.3450 38.2989 175.5433 67 K 3.9140 8.4024 127.2211 58.4948 32.7938 176.8019 68 K 4.5118 7.2171 118.1263 55.2861 35.6526 174.1619 69 I 4.6779 8.2380 126.4174 59.4396 40.0438 174.7129 70 I 4.2385 8.3518 128.1212 59.4711 39.3553 175.0279 71 M 4.1066 8.4621 127.5722 54.7928 32.9044 176.4710 72 G 2.3776 8.3655 111.3311 45.4404 0.0000 172.6529 73 L 5.2951 9.1017 125.1358 52.3332 46.1617 175.4092 74 D 4.9202 8.9837 122.0789 54.1809 41.5131 177.4019 75 K 3.7793 9.1894 128.0499 58.9614 32.3231 176.9669 76 M 4.3016 7.8788 116.6266 57.2897 32.1000 177.5000 77 K 4.0615 9.3748 118.0235 57.1817 32.5361 178.4831 78 K 4.2463 8.0982 117.0553 57.4003 30.2658 175.0750 79 T 4.6687 7.0226 108.5485 59.3634 71.6534 173.5336 80 A 4.2670 8.4931 124.4664 52.6351 18.7827 177.3634 81 C 2.9738 8.5866 119.4518 56.9824 30.2178 175.2010 82 G 4.1546 9.7501 106.0411 46.7812 0.0000 172.9799 83 F 5.0721 7.2238 113.0679 56.4207 41.1257 171.9389 84 C 4.4266 7.8252 112.9068 57.5983 33.4125 172.3362 85 F 5.2911 8.7679 117.4643 55.5853 41.9476 174.8253 86 V 4.3056 8.7034 123.2871 60.9615 33.9809 173.5557 87 E 4.9391 8.8456 129.9017 54.9064 31.3139 174.9077 88 Y 4.5784 8.7760 125.0332 56.8725 39.6859 175.5430 89 Y 4.3690 8.3566 118.1849 59.7640 38.6374 176.7289 90 S 4.8852 7.9536 112.9289 55.4695 66.2267 174.5391 91 R 4.0122 8.9503 122.2824 59.8979 29.6346 178.5425 92 A 4.0392 8.0798 119.8034 55.4338 18.3447 179.2214 93 D 4.2798 8.0401 116.6794 57.3322 40.8616 178.8305 94 A 3.3018 7.6841 120.7614 54.9200 18.5410 179.3072 95 E 4.0749 8.4386 117.2151 59.8392 29.5100 179.4507 96 N 4.2907 8.1842 116.0991 55.8926 38.4572 177.4459 97 A 3.8699 7.4795 122.2395 55.3175 18.2720 179.6058 98 M 3.8463 7.5996 116.1498 58.1281 31.9402 178.8096 99 R 3.7008 7.2110 117.3617 58.0774 30.4400 177.4624 100 Y 4.6902 7.5145 113.1671 57.6654 40.1491 177.2558 101 I 3.9923 7.6771 120.6921 61.7237 38.0270 175.6969 102 N 4.3063 7.5885 117.0387 55.4066 38.9921 174.4832 103 G 3.9154 8.9136 113.2067 45.9087 0.0000 172.4900 104 T 4.6810 7.4910 109.7093 59.3560 71.5479 172.9581 105 R 5.3392 8.1175 118.9519 54.7760 31.3766 176.6474 106 L 4.2591 7.9991 122.7848 54.8508 43.6523 174.9437 107 D 4.5645 9.2971 126.6833 55.6134 39.1653 173.9442 108 D 4.6503 8.5251 114.2928 53.8411 40.4251 173.0356 109 R 4.7087 7.3460 116.5857 54.9687 33.1829 175.4969 110 I 4.5211 8.3328 123.9366 61.1331 37.5671 175.7610 111 I 4.4653 8.5150 121.6222 59.8819 40.1498 174.6394 112 R 5.1989 8.7294 123.1387 54.8037 32.7934 174.2465 113 T 5.1607 9.1217 116.6549 60.4187 71.5296 173.1901 114 D 4.7383 8.7686 121.2000 52.5301 45.1541 174.6350 115 W 4.7943 8.8352 124.4840 57.2040 29.9091 174.9158 116 D 5.1585 9.0892 121.8470 52.3633 43.3282 175.8454 117 A 4.0501 8.9646 127.4489 53.0512 18.7626 176.9436 118 G 4.1629 8.2842 103.2433 43.3720 0.0000 174.1037 119 F 4.0416 8.4271 124.3536 57.9717 40.3997 174.6545 120 K 4.0938 6.1103 122.6706 54.4229 35.8767 175.0480 121 E 3.9600 8.3287 122.9689 58.1338 29.9340 176.9577 122 G 4.3265 9.2559 114.1148 45.8555 0.0000 175.5850 123 R 4.3139 7.4779 117.6546 58.4323 30.3582 177.2142 124 Q 4.6808 8.2621 114.9414 57.3201 29.7192 174.9303 125 Y 5.4740 7.5580 116.9163 56.3070 39.8948 176.0513 126 G 3.8369 9.0625 110.8055 46.4490 0.0000 173.5533 127 R 4.6842 8.5184 121.0317 55.6288 30.7393 176.9017 128 G 3.8464 8.1783 108.4491 44.6618 0.0000 175.2246 129 R 3.8759 8.6740 121.4329 59.5152 29.9761 178.2876 130 S 4.2325 8.0392 111.7951 59.8296 63.1674 174.3718 131 G 3.8413 7.7166 109.6188 45.5786 0.0000 174.1414 132 G 3.8501 7.8767 109.7279 44.6466 0.0000 172.9511 133 Q 4.4123 8.4754 117.8446 55.3777 29.8486 177.2174 134 V 3.5324 8.4615 120.4528 66.3082 31.5775 178.3992 135 R 4.0766 8.2247 118.3367 59.5411 29.6538 177.9506 136 D 4.6357 7.9200 116.6367 55.5692 40.7408 177.8881 137 E 3.9926 7.9043 120.1724 58.0469 29.7306 176.3198 138 Y 4.7707 7.1229 112.7528 57.5456 39.3702 176.2811 139 R 4.1394 8.0213 118.6988 57.0383 30.5569 176.1807 140 Q 4.6159 8.6381 117.2499 55.4690 30.2990 174.9503 141 D 4.8228 7.9659 117.8380 51.9308 41.6096 174.7499 142 Y 4.2379 8.3071 120.1767 55.8564 39.4611 174.5126 143 D 4.2343 8.0759 127.6220 51.4817 42.1575 175.5800 144 A 3.5174 7.9032 129.2241 55.0268 18.5927 179.5916 145 G 3.7688 7.8522 101.3062 46.4694 0.0000 174.0309 146 R 3.1496 7.0313 118.1537 55.2006 30.7308 175.9073 147 G 3.7842 6.8847 103.7668 44.3503 0.0000 174.4134 148 G 3.4998 7.6660 108.6624 44.6700 0.0000 176.9180 149 Y 4.9111 8.5041 120.4217 56.7192 39.2585 176.3174 150 G 3.8469 8.4850 115.9653 46.0446 0.0000 174.7901 *151 K 4.1335 7.7841 123.5152 54.8971 32.4259 172.2964 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 L 8.18 4.31 0.00 1.63 1.65 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.03 4.64 0.00 1.79 1.51 0.93 0.43 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 7 K 9.15 3.88 0.00 1.79 1.81 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 8 A 8.15 4.01 1.32 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 9 L 7.54 4.43 0.00 1.65 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.77 4.29 0.00 1.94 1.98 0.00 3.20 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 11 S 7.32 4.08 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.43 4.89 0.00 2.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.14 0.00 3.96 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 14 Y 8.19 3.92 0.00 2.88 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 15 V 7.83 4.38 2.35 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 1.09 0.00 0.00 1.16 0.00 0.00 16 E 7.71 4.32 0.00 2.28 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 2.37 2.32 0.00 17 L 8.28 4.43 0.00 1.67 1.67 0.89 0.81 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 18 S 8.35 4.71 0.00 4.03 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 19 Q 8.47 4.37 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 20 Y 7.63 4.14 0.00 2.92 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 21 R 6.76 4.31 0.00 1.51 1.56 0.00 3.30 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 22 D 9.18 4.24 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 23 Q 8.50 4.07 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 24 H 8.46 4.72 0.00 3.29 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.94 4.20 0.00 3.04 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 26 R 7.58 4.08 0.00 1.50 1.68 0.00 3.44 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 27 G 7.06 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 28 D 7.73 4.73 0.00 2.94 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 29 N 8.85 4.20 0.00 2.76 2.87 0.00 0.00 6.50 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 30 E 8.23 3.89 0.00 2.07 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 2.37 2.36 0.00 31 E 8.55 3.98 0.00 2.21 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 0.00 2.56 2.41 0.00 32 Q 7.90 3.21 0.00 1.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.01 1.61 0.00 33 E 8.36 3.86 0.00 2.08 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 2.27 2.34 0.00 34 K 7.67 3.86 0.00 1.87 2.10 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 35 L 7.80 4.10 0.00 1.82 1.68 1.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.02 3.99 0.00 1.73 1.69 0.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.64 3.82 0.00 1.63 1.69 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.50 7.81 38 K 7.67 4.37 0.00 1.63 1.75 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.30 7.81 39 S 7.20 4.30 0.00 4.14 3.99 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 0.00 0.00 0.00 40 C 8.81 5.22 0.00 2.99 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 41 T 8.74 5.21 4.39 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 1.33 0.00 0.00 42 L 9.07 5.32 0.00 1.54 1.50 1.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.26 4.94 0.00 3.14 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 44 V 7.93 4.46 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 0.83 0.00 0.00 0.42 0.00 0.00 45 G 8.95 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.69 4.53 0.00 2.85 3.01 0.00 0.00 7.03 7.78 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 47 L 7.49 4.29 0.00 1.75 1.55 0.71 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.26 4.42 0.00 3.85 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 49 F 8.72 4.48 0.00 2.32 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 50 Y 7.55 4.79 0.00 3.03 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 T 7.65 4.27 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 1.28 0.00 0.00 52 T 9.04 4.51 4.44 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 1.24 0.00 0.00 53 E 8.63 3.94 0.00 2.05 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 2.62 2.55 0.00 54 E 8.18 4.06 0.00 2.12 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 2.38 2.43 0.00 55 Q 7.85 4.07 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 56 I 7.81 3.89 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.62 0.00 0.00 57 Y 8.13 3.79 0.00 3.31 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 58 E 8.18 3.98 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 59 L 8.09 4.07 0.00 1.83 1.73 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.66 4.16 0.00 3.20 3.11 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 61 S 8.14 4.90 0.00 4.05 4.02 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 0.00 0.00 0.00 62 K 7.93 4.24 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.62 7.81 63 S 9.00 4.80 0.00 3.95 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 64 G 7.00 4.35 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 65 D 8.22 4.70 0.00 3.09 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 66 I 8.32 3.94 1.76 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.28 0.31 0.00 0.00 67 K 8.40 3.91 0.00 0.79 1.38 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.19 1.10 7.81 68 K 7.22 4.51 0.00 1.71 1.40 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.68 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.23 1.35 7.81 69 I 8.24 4.68 1.92 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.12 0.67 0.00 0.00 70 I 8.35 4.24 1.75 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.41 0.56 0.00 0.00 71 M 8.46 4.11 0.00 1.68 1.82 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 72 G 8.37 2.38 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 73 L 9.10 5.30 0.00 1.63 1.58 0.90 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.98 4.92 0.00 2.70 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 75 K 9.19 3.78 0.00 1.90 1.81 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 0.98 7.81 76 M 7.88 4.30 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 77 K 9.37 4.06 0.00 1.78 1.86 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 78 K 8.10 4.25 0.00 1.94 1.96 0.00 1.88 0.00 0.00 1.93 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.54 7.81 79 T 7.02 4.67 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 1.25 0.00 0.00 80 A 8.49 4.27 1.09 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 81 C 8.59 2.97 0.00 2.59 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 82 G 9.75 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.22 5.07 0.00 2.89 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 84 C 7.83 4.43 0.00 2.87 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 85 F 8.77 5.29 0.00 2.96 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 86 V 8.70 4.31 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 0.40 0.00 0.00 0.03 0.00 0.00 87 E 8.85 4.94 0.00 1.94 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 88 Y 8.78 4.58 0.00 3.08 2.96 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 89 Y 8.36 4.37 0.00 3.22 3.07 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 90 S 7.95 4.89 0.00 4.03 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 91 R 8.95 4.01 0.00 1.98 2.03 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.95 0.00 92 A 8.08 4.04 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 93 D 8.04 4.28 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 3.30 1.55 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 0.00 0.00 95 E 8.44 4.07 0.00 2.32 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 0.00 2.71 2.88 0.00 96 N 8.18 4.29 0.00 2.86 2.97 0.00 0.00 6.94 7.61 0.00 0.00 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 A 7.48 3.87 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 98 M 7.60 3.85 0.00 2.03 2.08 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 1.32 2.07 0.00 99 R 7.21 3.70 0.00 0.67 0.66 0.00 2.87 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 100 Y 7.51 4.69 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 0.00 101 I 7.68 3.99 1.66 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.11 0.00 0.00 102 N 7.59 4.31 0.00 2.62 2.89 0.00 0.00 7.02 7.98 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 0.00 103 G 8.91 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 0.00 104 T 7.49 4.68 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 1.26 0.00 0.00 105 R 8.12 5.34 0.00 1.81 1.88 0.00 3.24 0.00 0.00 3.81 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 106 L 8.00 4.26 0.00 1.68 1.51 0.96 1.22 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 0.00 107 D 9.30 4.56 0.00 2.85 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 0.00 108 D 8.53 4.65 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.35 4.71 0.00 1.75 1.77 0.00 3.13 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 110 I 8.33 4.52 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 1.40 0.74 0.92 0.00 0.00 111 I 8.52 4.47 1.96 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 0.74 0.97 0.00 0.00 112 R 8.73 5.20 0.00 1.88 1.77 0.00 3.07 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 113 T 9.12 5.16 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 1.40 0.00 0.00 114 D 8.77 4.74 0.00 2.87 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 0.00 115 W 8.84 4.79 0.00 3.27 3.10 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 0.00 116 D 9.09 5.16 0.00 2.98 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 0.00 117 A 8.96 4.05 1.18 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 0.00 0.00 118 G 8.28 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 0.00 0.00 0.00 119 F 8.43 4.04 0.00 2.72 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 0.00 120 K 6.11 4.09 0.00 1.47 1.39 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.27 7.81 121 E 8.33 3.96 0.00 1.87 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 2.38 2.34 0.00 122 G 9.26 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 0.00 0.00 0.00 0.00 123 R 7.48 4.31 0.00 1.64 2.08 0.00 3.41 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 124 Q 8.26 4.68 0.00 2.15 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 125 Y 7.56 5.47 0.00 3.06 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 0.00 126 G 9.06 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.52 4.68 0.00 1.82 1.98 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 128 G 8.18 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 0.00 129 R 8.67 3.88 0.00 1.75 2.21 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 130 S 8.04 4.23 0.00 3.91 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 0.00 131 G 7.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.88 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 0.00 133 Q 8.48 4.41 0.00 2.41 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.67 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 134 V 8.46 3.53 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 1.13 0.00 0.00 0.95 0.00 0.00 135 R 8.22 4.08 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 136 D 7.92 4.64 0.00 2.73 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 0.00 137 E 7.90 3.99 0.00 1.71 1.13 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 1.93 2.05 0.00 138 Y 7.12 4.77 0.00 3.07 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 0.00 139 R 8.02 4.14 0.00 1.84 2.19 0.00 3.30 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 140 Q 8.64 4.62 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 141 D 7.97 4.82 0.00 2.80 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 0.00 142 Y 8.31 4.24 0.00 2.63 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 0.00 143 D 8.08 4.23 0.00 2.53 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.90 3.52 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 0.00 145 G 7.85 3.77 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 0.00 0.00 0.00 146 R 7.03 3.15 0.00 1.44 1.55 0.00 3.17 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.26 0.00 147 G 6.88 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 0.00 148 G 7.67 3.50 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 0.00 149 Y 8.50 4.91 0.00 3.10 2.96 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 0.00 150 G 8.49 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 *151 K 7.78 4.13 0.00 1.54 1.63 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.