NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3001 0.0000 0.0000 62.5738 32.6039 175.1886 3 S 4.3076 8.5720 116.1285 56.3130 63.1995 171.7045 4 I 4.2320 8.4332 129.4214 59.7093 38.5682 174.3293 5 R 4.5119 8.3710 125.9197 54.4670 31.5657 174.4234 6 Y 4.6661 8.3253 125.7289 54.9350 40.6929 173.5205 7 P 4.1109 0.0000 0.0000 62.3834 32.4496 174.8886 8 S 4.6450 8.5658 113.1256 57.3022 66.2420 175.0857 9 T 3.8844 8.6022 116.2635 66.7417 68.0810 175.7197 10 E 4.2987 8.1816 118.0648 57.3179 30.3386 176.6850 11 F 4.7817 8.2119 118.1640 54.6099 39.2836 172.6098 12 P 4.9960 0.0000 0.0000 61.0505 32.4176 177.0768 13 A 4.1304 8.1334 121.9286 51.9569 18.8802 177.5291 14 L 4.4237 8.3078 119.7143 54.6072 42.3957 177.6227 15 T 3.9366 8.8296 120.0225 64.2996 69.0670 174.5462 16 G 4.1068 8.8271 113.3168 46.2684 0.0000 172.1673 17 F 5.5098 7.7788 113.7609 55.9467 41.1098 173.6096 18 T 4.5233 9.1404 116.0024 61.7603 72.6172 173.2098 19 V 4.5863 7.8628 124.5829 60.2824 34.0314 173.2266 20 P 4.5911 0.0000 0.0000 62.0436 32.4368 175.3737 21 I 4.5826 7.9214 113.2731 58.2750 40.6324 173.3687 22 P 4.6276 0.0000 0.0000 61.6912 32.4682 176.4649 23 E 4.0170 8.9636 119.4538 59.7685 29.4406 177.9582 24 T 4.0342 8.1583 106.8408 62.6645 69.3143 173.3469 25 W 5.3103 8.1595 121.8069 55.0905 32.6672 174.7216 26 Q 4.7887 9.1811 118.6345 54.0494 31.7749 172.7352 27 P 4.7650 0.0000 0.0000 62.9968 32.4381 175.9898 28 D 4.8405 8.6843 122.8773 51.6299 41.2936 173.7428 29 P 4.4005 0.0000 0.0000 64.0361 32.2881 178.0197 30 T 4.1333 7.7820 112.4227 60.4070 67.1672 174.9959 *32 G 3.8617 7.7574 109.6259 45.6631 0.0000 170.2056 33 T 4.7630 7.5075 108.2639 59.1146 71.5846 174.0868 34 Q 4.2982 8.7259 120.6218 58.4382 29.4709 176.6239 35 F 5.1380 8.6900 120.4685 56.6191 43.3331 173.3682 36 A 4.5879 7.5961 124.2426 50.9027 22.6571 174.7284 37 A 5.0548 8.5720 120.7483 51.1016 23.4055 175.4563 38 R 4.5740 8.9871 116.9307 53.6685 34.5575 173.2378 39 P 3.7573 0.0000 0.0000 62.3945 31.8678 177.5859 40 H 4.3694 8.8372 119.4530 57.8226 28.8659 175.9753 41 T 4.5108 6.7693 113.7224 60.6381 68.5483 171.4371 42 P 4.3670 0.0000 0.0000 61.2543 32.4856 175.4615 43 P 4.5552 0.0000 0.0000 62.6291 32.4538 176.4036 44 Q 4.2455 8.2650 116.7606 55.9949 29.6006 174.7641 45 G 4.1447 8.2680 107.6257 45.0028 0.0000 175.9245 46 F 3.8973 8.8840 126.9497 58.2238 39.5221 174.0165 47 T 4.1695 7.3172 122.8667 59.5815 67.1309 172.4883 48 P 4.8962 0.0000 0.0000 63.3569 32.0396 174.9087 49 N 5.3098 8.8712 116.1423 52.3357 41.2567 172.7983 50 I 5.0869 8.9634 119.5596 59.1995 41.5371 174.0295 51 I 5.0592 8.9799 121.6417 59.1066 41.4978 174.3315 52 G 4.7048 9.3893 110.2154 45.0758 0.0000 171.7706 53 T 5.4473 8.7536 120.0961 61.7965 73.1986 173.0699 54 V 5.0051 9.1172 126.3638 59.8711 33.5630 175.2676 55 R 4.7886 8.7274 119.6669 54.2883 33.3427 174.0763 56 R 4.8542 8.5967 120.5001 56.3912 31.1517 175.0082 57 A 4.7804 9.0718 126.2267 50.4268 23.6499 175.1574 58 A 4.4688 8.4952 120.3097 51.5574 20.0259 177.4767 59 T 3.8239 8.4411 115.6718 65.8824 69.0625 174.8757 60 G 3.9428 9.0119 112.8852 45.4865 0.0000 174.8705 61 A 3.9673 7.8894 122.6282 54.8499 18.2817 179.8633 62 L 3.8311 8.4149 119.0297 58.6852 42.1918 178.9633 63 H 4.1445 7.9016 115.5640 58.8408 28.6812 177.1098 64 N 4.2689 8.1899 118.8505 56.8019 38.7271 176.7563 65 Q 3.9513 8.4936 121.3608 59.0302 29.0026 178.2823 66 R 3.6928 7.9854 119.5448 59.2513 29.9434 178.9674 67 T 3.7834 7.8488 109.5212 65.0225 68.5578 176.3044 68 E 3.8998 8.2224 121.4559 58.9536 29.4313 179.3717 69 L 3.9569 8.2096 119.5075 57.6750 41.5061 179.1035 70 D 4.2512 8.2649 119.1673 57.5525 40.5870 178.8338 71 Q 3.8556 7.9894 118.7496 59.0486 29.2529 177.7240 72 R 3.8555 8.2937 120.0322 59.0804 30.0420 178.1113 73 A 3.1177 7.6960 120.8968 55.1959 18.0148 179.7038 74 T 3.8442 7.1764 106.1681 63.8586 68.6397 174.9397 75 Q 4.4628 7.6363 119.1521 55.3571 29.3692 174.7346 76 L 4.4236 7.3654 119.3150 52.2913 42.7989 175.0140 77 P 4.4200 0.0000 0.0000 63.8125 31.9218 175.9586 78 D 4.6564 8.8933 119.5175 55.0780 38.5340 173.3788 79 Y 4.5151 8.3884 118.9151 58.2984 39.5517 175.1682 80 A 4.4299 8.7785 127.9383 50.1813 22.1302 174.0441 81 E 4.5501 8.4879 123.5241 55.7361 30.4499 176.2077 82 R 4.0836 9.1840 127.3501 58.3041 30.7697 176.9776 83 G 4.2476 7.4356 103.7025 45.8554 0.0000 172.1187 84 R 5.3397 8.7045 116.3983 54.4896 32.8201 174.6177 85 T 4.7858 8.6896 110.2606 60.3030 72.6981 172.2470 86 E 4.9830 8.8497 123.3656 56.0235 30.9877 175.3868 87 T 4.6836 8.7679 119.0921 61.5925 70.9017 172.1708 88 T 5.1068 8.4963 108.8201 60.0055 72.0954 173.0206 89 V 4.1946 8.4805 122.5853 62.1129 33.7581 172.9496 90 D 4.2144 9.7752 127.8869 55.3937 37.4489 174.0151 91 G 3.8524 8.5763 111.8681 45.3037 0.0000 172.1085 92 F 4.4004 7.4697 118.5251 56.1724 39.7975 173.1201 93 P 4.7113 0.0000 0.0000 63.4205 32.2917 175.1278 94 A 5.2855 9.1155 124.0757 50.8238 23.5879 174.1094 95 Y 5.3066 9.1634 119.5470 56.2510 42.7130 173.6070 96 H 5.2162 8.6359 124.9553 54.4093 33.4149 171.8102 97 I 5.0000 8.2750 124.4993 59.5257 41.5394 173.8089 98 E 5.1430 9.2370 127.2006 54.9080 33.3029 174.4358 99 Y 5.2434 8.5080 120.9279 56.2693 42.1870 172.9853 100 A 5.4239 9.0793 120.6914 50.9515 23.4012 174.3932 101 Y 5.2664 8.8043 116.4957 56.2993 42.2584 173.2767 102 R 4.7804 9.0480 121.1573 55.0975 31.5411 174.6748 103 H 4.7508 9.2445 127.4270 55.1457 31.4097 174.1189 104 H 4.1961 9.7310 122.0481 56.6319 26.1515 175.6537 105 G 4.0032 8.4802 104.4441 46.5178 0.0000 174.6363 106 T 4.4715 8.2968 116.5195 64.0565 70.7444 174.4156 107 I 4.7584 7.2860 112.3658 59.4038 41.7830 174.0510 108 T 4.7604 8.2545 119.5120 62.2037 70.6070 173.5085 109 I 4.4302 8.3528 127.2902 59.2647 39.7195 174.2934 110 A 5.0173 8.8778 129.4028 50.5834 21.5959 175.4798 111 Q 5.7257 8.4314 121.1579 53.4478 33.4479 173.7171 *113 I 4.4806 8.1945 118.6296 62.3592 39.0870 174.9418 114 T 5.0663 8.8428 122.5799 61.7259 71.7623 172.8657 115 L 5.2737 9.3191 126.0720 52.9188 44.8656 175.5989 116 V 4.7486 8.8269 122.9747 61.0160 34.7952 173.5576 117 E 4.8877 9.1279 129.3857 54.6251 31.1245 174.9278 118 V 3.9390 8.4732 128.2256 61.2586 33.3159 174.6192 119 S 4.8277 8.6840 124.2670 58.0127 62.7302 173.7048 120 H 4.8623 8.8850 121.6054 53.2060 31.0634 174.0542 121 P 4.4305 0.0000 0.0000 65.4575 30.9875 177.3458 122 H 4.7967 7.2038 109.4794 55.3036 30.4273 172.7016 123 A 4.5711 7.2165 119.6850 51.7449 22.4640 174.9945 124 V 4.9330 8.6523 108.9686 60.3463 36.8655 174.3576 125 D 5.4401 9.1296 121.6895 52.8090 43.7099 175.7173 126 I 4.7848 8.5463 123.6507 59.6574 39.7044 174.6803 127 I 4.4071 8.5354 129.2171 60.2959 38.7243 174.6528 128 Q 4.9102 9.0352 128.8143 54.0963 31.8007 173.5340 129 L 5.0745 8.8924 129.1966 53.5850 44.6043 174.9896 130 T 4.8090 9.1374 122.7355 61.7814 71.9941 172.5927 131 A 4.7607 8.3099 128.1618 50.2897 21.7344 175.3306 132 T 5.3447 8.7318 118.0279 62.1292 73.0765 172.9804 133 C 5.3125 9.3369 119.1759 56.7546 34.0735 173.2250 134 A 4.3176 9.6228 122.4865 51.4472 18.7324 178.9072 135 G 3.5837 8.7487 110.3679 48.7337 0.0000 175.0291 136 D 4.8316 7.9794 116.6319 53.4084 39.6161 177.1337 137 Q 4.6271 8.2640 118.9880 56.4161 29.8238 177.4782 138 T 4.0282 7.7369 111.8119 64.8626 68.4228 176.2076 139 A 3.9380 7.8934 122.0856 54.8722 18.4409 178.7390 140 D 4.2357 7.7909 116.7278 56.3053 41.1289 176.8746 141 Y 4.6605 7.4293 114.2100 57.2131 40.5205 177.4536 142 W 3.9871 8.5528 130.1324 60.4201 30.7154 177.6010 143 D 4.3800 8.1614 118.4628 57.6252 40.1015 178.6995 144 T 3.8400 7.7519 114.6760 66.5802 68.6025 176.0997 145 F 4.3752 8.0102 118.7418 60.6811 39.1435 177.2771 146 R 3.9658 8.0951 118.4090 59.2785 29.9050 179.4079 147 L 4.2646 7.7729 116.5456 55.5153 41.3803 178.7779 *149 H 4.4815 8.2352 118.1418 55.8245 30.6453 175.7408 150 A 3.9332 8.1900 121.2702 54.5846 18.2395 177.8099 151 D 4.7956 7.6221 112.5272 53.7266 41.2885 176.1343 152 L 4.2783 7.3735 122.6403 56.0806 42.3793 176.5147 153 T 5.0731 8.8313 114.8796 58.8595 72.4955 172.9931 154 V 4.8380 8.8058 114.9897 59.9529 35.1398 175.9202 155 Q 4.6838 9.1191 123.7486 53.4876 29.1674 174.2838 156 P 4.4235 0.0000 0.0000 63.9984 32.1446 177.4150 157 H 4.8103 8.0544 115.0229 55.3175 29.5616 174.0094 158 G 4.0882 8.1600 114.4326 45.9464 0.0000 173.8760 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 P 0.00 4.30 0.00 2.20 2.13 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 3 S 8.57 4.31 0.00 3.92 3.80 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 4 I 8.43 4.23 1.75 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 1.26 0.95 0.68 0.00 0.00 5 R 8.37 4.51 0.00 1.75 1.80 0.00 3.18 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 6 Y 8.33 4.67 0.00 2.85 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 7 P 0.00 4.11 0.00 1.94 1.54 0.00 3.29 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.50 0.00 8 S 8.57 4.65 0.00 4.04 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 0.00 9 T 8.60 3.88 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 10 E 8.18 4.30 0.00 2.06 1.76 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 2.30 2.36 0.00 11 F 8.21 4.78 0.00 3.15 3.15 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 12 P 0.00 5.00 0.00 2.09 2.02 0.00 3.35 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 13 A 8.13 4.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.31 4.42 0.00 1.75 1.71 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.83 3.94 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 1.15 0.00 0.00 16 G 8.83 4.11 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 0.00 17 F 7.78 5.51 0.00 3.07 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 18 T 9.14 4.52 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 1.13 0.00 0.00 19 V 7.86 4.59 0.81 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 0.58 0.00 0.00 0.40 0.00 0.00 20 P 0.00 4.59 0.00 2.19 1.99 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 21 I 7.92 4.58 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.86 1.15 0.00 0.00 22 P 0.00 4.63 0.00 2.35 2.26 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.85 0.00 23 E 8.96 4.02 0.00 2.02 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 2.39 2.34 0.00 24 T 8.16 4.03 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 1.30 0.00 0.00 25 W 8.16 5.31 0.00 3.33 3.26 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 0.00 0.00 0.00 0.00 26 Q 9.18 4.79 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 27 P 0.00 4.76 0.00 1.99 2.08 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 28 D 8.68 4.84 0.00 2.52 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 0.00 0.00 0.00 0.00 29 P 0.00 4.40 0.00 2.21 2.15 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 30 T 7.78 4.13 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 1.19 0.00 0.00 *32 G 7.76 3.86 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 0.00 0.00 0.00 33 T 7.51 4.76 4.47 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 1.23 0.00 0.00 34 Q 8.73 4.30 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 35 F 8.69 5.14 0.00 3.16 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 36 A 7.60 4.59 1.10 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 0.00 0.00 37 A 8.57 5.05 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 0.00 0.00 0.00 0.00 0.00 38 R 8.99 4.57 0.00 1.57 1.47 0.00 3.15 0.00 0.00 3.03 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 39 P 0.00 3.76 0.00 1.68 1.34 0.00 2.98 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.03 0.00 40 H 8.84 4.37 0.00 3.13 3.43 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 6.77 4.51 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 1.22 0.00 0.00 42 P 0.00 4.37 0.00 2.09 1.89 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 43 P 0.00 4.56 0.00 2.28 2.22 0.00 3.75 0.00 0.00 3.81 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 44 Q 8.26 4.25 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 45 G 8.27 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 F 8.88 3.90 0.00 3.01 3.02 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 47 T 7.32 4.17 4.05 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 0.85 0.00 0.00 48 P 0.00 4.90 0.00 1.93 1.92 0.00 3.38 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 1.35 2.04 0.00 49 N 8.87 5.31 0.00 2.87 2.89 0.00 0.00 6.50 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 50 I 8.96 5.09 1.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 1.02 0.00 0.00 51 I 8.98 5.06 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 1.17 1.19 0.88 0.00 0.00 52 G 9.39 4.70 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 0.00 0.00 0.00 53 T 8.75 5.45 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 1.28 0.00 0.00 54 V 9.12 5.01 2.11 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 1.05 0.00 0.00 0.96 0.00 0.00 55 R 8.73 4.79 0.00 1.86 2.01 0.00 2.76 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 56 R 8.60 4.85 0.00 1.86 1.86 0.00 3.30 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 57 A 9.07 4.78 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 58 A 8.50 4.47 1.25 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 59 T 8.44 3.82 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 1.22 0.00 0.00 60 G 9.01 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 61 A 7.89 3.97 1.37 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 0.00 0.00 0.00 62 L 8.41 3.83 0.00 1.77 1.59 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.90 4.14 0.00 3.31 3.25 0.00 5.68 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 64 N 8.19 4.27 0.00 2.84 2.79 0.00 0.00 6.88 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 65 Q 8.49 3.95 0.00 2.10 2.05 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 2.36 2.39 0.00 66 R 7.99 3.69 0.00 1.81 1.51 0.00 2.68 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 67 T 7.85 3.78 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 1.22 0.00 0.00 68 E 8.22 3.90 0.00 2.17 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 2.30 2.48 0.00 69 L 8.21 3.96 0.00 1.85 1.77 1.12 1.01 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 70 D 8.26 4.25 0.00 2.84 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 71 Q 7.99 3.86 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 72 R 8.29 3.86 0.00 1.95 1.73 0.00 3.12 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 73 A 7.70 3.12 0.38 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 74 T 7.18 3.84 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 1.15 0.00 0.00 75 Q 7.64 4.46 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 76 L 7.37 4.42 0.00 1.58 1.32 0.49 0.36 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 77 P 0.00 4.42 0.00 2.48 2.04 0.00 4.06 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 78 D 8.89 4.66 0.00 2.88 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 79 Y 8.39 4.52 0.00 3.13 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 80 A 8.78 4.43 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 81 E 8.49 4.55 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 82 R 9.18 4.08 0.00 1.80 2.01 0.00 3.54 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 83 G 7.44 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 0.00 0.00 0.00 84 R 8.70 5.34 0.00 1.74 1.93 0.00 3.13 0.00 0.00 3.55 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 85 T 8.69 4.79 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 86 E 8.85 4.98 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 2.44 2.47 0.00 87 T 8.77 4.68 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 88 T 8.50 5.11 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 1.26 0.00 0.00 89 V 8.48 4.19 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 1.05 0.00 0.00 0.95 0.00 0.00 90 D 9.78 4.21 0.00 3.15 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 91 G 8.58 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 100 A 9.08 5.42 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 0.00 101 Y 8.80 5.27 0.00 3.45 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 0.00 102 R 9.05 4.78 0.00 1.87 1.95 0.00 3.35 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 103 H 9.24 4.75 0.00 3.09 3.09 0.00 5.99 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 9.73 4.20 0.00 3.31 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.30 4.47 4.42 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 1.25 0.00 0.00 107 I 7.29 4.76 1.80 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 1.37 1.03 0.95 0.00 0.00 108 T 8.25 4.76 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 1.10 0.00 0.00 109 I 8.35 4.43 0.85 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 0.69 0.67 0.79 0.00 0.00 110 A 8.88 5.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.43 5.73 0.00 1.24 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 *113 I 8.19 4.48 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.98 0.00 0.00 114 T 8.84 5.07 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 1.23 0.00 0.00 115 L 9.32 5.27 0.00 1.63 1.57 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.83 4.75 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 1.05 0.00 0.00 0.91 0.00 0.00 117 E 9.13 4.89 0.00 1.96 1.83 0.00 0.00 0.00 0.00 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0.00 0.00 134 A 9.62 4.32 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 0.00 135 G 8.75 3.58 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 0.00 0.00 0.00 136 D 7.98 4.83 0.00 2.78 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 0.00 137 Q 8.26 4.63 0.00 2.44 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 138 T 7.74 4.03 3.86 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 0.95 0.00 0.00 139 A 7.89 3.94 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.79 4.24 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.43 4.66 0.00 2.62 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 W 8.55 3.99 0.00 3.51 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 0.00 143 D 8.16 4.38 0.00 2.74 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 0.00 144 T 7.75 3.84 4.40 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 1.01 0.00 0.00 145 F 8.01 4.38 0.00 2.62 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 0.00 146 R 8.10 3.97 0.00 1.83 2.03 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 147 L 7.77 4.26 0.00 1.86 1.63 0.91 0.84 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 *149 H 8.24 4.48 0.00 3.12 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.19 3.93 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 0.00 151 D 7.62 4.80 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 4.28 0.00 1.48 1.68 0.93 0.74 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 0.00 153 T 8.83 5.07 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 1.21 0.00 0.00 154 V 8.81 4.84 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 0.74 0.00 0.00 1.03 0.00 0.00 155 Q 9.12 4.68 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 156 P 0.00 4.42 0.00 2.01 1.94 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.13 0.00 157 H 8.05 4.81 0.00 3.16 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.16 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.