NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2384 8.4449 120.2238 56.2274 31.6439 175.9209 4 K 3.9911 7.8435 121.5607 55.5317 31.8571 174.5405 5 T 4.6457 8.7489 118.1183 58.4157 71.7711 173.1550 6 C 4.8853 8.4972 120.3382 57.6018 41.0699 173.2712 7 D 5.1004 9.0653 123.3555 52.7468 42.6941 176.0579 8 L 5.2052 8.4681 123.1190 52.8250 44.0562 176.7593 9 V 3.6663 8.2114 120.7305 62.6253 31.9797 176.1268 10 G 4.0527 8.8566 111.5947 44.4827 0.0000 173.0737 11 E 4.1144 8.6674 122.7260 54.9766 30.4936 175.8209 12 K 4.0871 8.3906 120.7947 59.2404 31.9248 177.1006 13 G 4.0847 9.0505 113.5512 45.3994 0.0000 174.0037 14 K 4.3044 7.8601 117.2459 56.7686 32.6889 177.1263 15 E 4.2760 7.8657 118.6912 55.7799 30.2647 177.1620 16 S 4.1919 8.5380 116.4052 58.5068 63.9186 175.1210 17 E 3.9963 8.8337 129.0679 59.1316 29.6085 179.1170 18 K 3.9967 7.9743 118.3261 59.5012 32.2480 179.0127 19 E 4.0581 8.1516 118.5149 59.2694 29.2719 179.3000 20 L 4.0241 8.1335 118.8621 57.8782 41.6951 179.4631 21 A 4.0315 8.1733 120.5977 55.1385 18.2892 179.7315 22 L 3.9591 7.9275 117.2537 57.8676 41.4775 179.5719 23 L 4.1266 7.8630 117.9476 57.8588 41.7313 179.2018 24 K 4.0565 7.9463 119.2754 59.5125 31.8753 178.8687 25 R 3.8658 7.5506 117.8473 58.9800 30.2477 177.6559 26 L 4.2199 7.8411 116.8645 55.3443 41.7918 178.5320 27 T 2.0000 7.0820 117.7958 65.7017 68.2087 173.9567 28 P 4.2771 0.0000 0.0000 64.8263 31.4854 177.4406 29 L 4.3445 7.9832 119.0158 56.3102 41.6502 178.4336 30 F 4.6946 7.9625 117.2902 59.9392 38.9333 176.6946 31 Q 4.0766 7.9945 115.9389 57.6098 28.8875 176.1806 32 K 4.1161 7.5837 118.5626 55.6515 33.2328 175.7151 33 S 4.3596 7.2620 113.5622 56.6671 65.5923 172.9171 34 F 4.9682 8.7588 124.4527 55.6771 42.3469 173.7052 35 E 5.7907 8.7378 121.9251 54.1940 33.3352 174.3854 36 S 4.7970 8.8731 117.5227 57.9733 66.0303 173.8145 37 T 5.8018 8.9257 123.5323 61.5463 71.4007 172.8970 *44 M 3.9867 8.1860 119.3428 55.6757 33.2558 173.5823 45 Y 5.4299 8.1570 114.7934 56.2157 42.1221 175.0150 46 S 5.0320 8.7731 116.6652 56.9475 65.4852 172.0866 47 Y 5.2152 9.6244 125.8917 56.5610 40.0728 174.8557 48 V 4.9721 8.6869 124.1260 61.0486 34.3951 174.0042 49 F 5.6689 9.3609 129.5717 56.7274 42.6681 173.7110 50 R 4.4309 8.6232 122.4222 54.5524 34.6457 175.0900 51 V 4.0133 8.1006 121.7859 62.4432 31.3032 176.3207 52 C 3.6859 9.2915 125.1015 57.4225 38.1956 173.1819 53 R 3.9105 6.7726 115.5319 53.6293 33.5956 174.6596 54 E 4.2612 8.5659 121.0254 56.9143 29.2752 176.3847 55 A 4.2758 8.9803 130.6570 53.0999 19.6079 177.6337 56 G 3.8786 7.9449 104.1019 45.4935 0.0000 173.2447 57 Q 4.5953 8.7953 116.9627 55.9126 27.5247 176.3033 58 H 4.9145 7.7029 112.2980 54.7611 30.2183 173.9515 59 S 4.0822 8.1161 113.7562 59.7845 60.1282 172.2489 60 S 4.5300 7.5841 111.3832 58.0862 62.9608 174.1514 61 G 3.4778 8.4907 107.2540 46.8575 0.0000 173.7140 62 A 4.2164 7.9743 123.0054 51.6643 19.0874 179.4243 63 G 3.8397 8.8718 110.4266 47.1363 0.0000 173.4505 64 L 5.2228 7.7549 122.8714 54.2868 45.2756 174.8789 65 V 4.8743 8.7930 119.6009 59.5412 35.6326 174.6008 66 Q 4.4346 8.9951 123.9568 54.4708 31.5080 174.1226 67 I 4.7065 8.5916 128.6445 59.7777 39.3283 175.0413 68 Q 4.4496 9.4514 129.8727 55.5956 28.7580 176.2817 69 K 3.9349 8.7322 128.2144 59.7061 32.2436 179.2817 70 S 4.2249 8.3279 114.0151 60.8348 61.8856 174.7528 71 N 4.8627 7.9105 115.9435 51.1233 37.6526 174.5399 72 G 3.8494 8.4649 105.7912 46.6739 0.0000 173.7472 73 K 4.2197 7.5885 119.4059 55.7042 33.4053 174.9949 74 E 4.9679 8.8215 128.3419 54.8936 31.4419 174.6798 75 T 4.5579 8.7405 124.1725 61.5151 71.4873 173.6740 76 V 3.9547 8.6494 127.5977 62.9607 32.1929 176.7087 77 V 3.9207 9.0219 129.0463 65.0267 32.9159 175.8063 78 G 4.3783 7.6993 103.9200 45.3925 0.0000 172.4890 79 R 4.9651 8.8241 122.8362 53.8099 32.6383 177.2708 80 F 4.2999 7.6659 117.3592 57.8963 38.0650 176.3482 81 N 4.6359 7.4555 118.0403 54.2664 38.2215 174.9000 82 E 4.8034 8.0334 118.1586 54.9971 29.4355 174.3981 83 T 5.3199 8.6559 117.1003 62.0483 71.4717 175.1077 84 Q 4.9945 9.0491 125.5975 54.5086 32.6755 173.7861 85 I 5.6901 9.3567 118.7570 59.1466 41.0158 174.0955 86 F 5.1147 7.9913 117.6494 56.2543 40.8946 172.7378 87 Q 4.1884 8.6129 116.9983 54.2002 32.0790 174.9855 88 G 3.5864 5.9251 108.3172 44.1437 0.0000 173.4358 89 S 4.2289 8.7332 113.9020 61.0386 63.4107 174.9453 90 N 5.3903 7.9847 118.2589 50.0553 37.8850 173.7439 91 W 5.5333 7.4156 113.8172 56.8729 31.8879 172.9459 92 I 4.7976 9.1833 121.5040 59.8122 41.0053 173.8727 93 M 4.9235 9.0963 126.8990 53.5920 34.5080 173.9558 94 L 5.0682 8.7102 128.3371 53.2719 45.1974 174.9188 95 I 5.0409 9.0196 126.2871 59.7757 40.9981 173.7641 96 Y 5.4397 9.1177 125.2892 56.7552 40.1853 175.6814 97 K 4.8322 9.1299 125.6584 54.9488 35.6602 176.9817 98 G 4.0272 8.8123 107.3401 46.9559 0.0000 174.2009 99 G 4.0854 7.8586 107.5714 44.1589 0.0000 173.9280 100 D 4.6783 8.9895 119.9485 54.0883 41.7597 176.7181 101 E 4.7343 8.6729 121.9258 56.6228 30.5482 176.5433 102 Y 4.2981 8.8002 120.5359 58.3972 38.7996 176.4255 103 D 4.6993 8.9766 120.6516 55.3995 42.2387 176.9753 104 N 4.7918 8.2365 112.9191 55.0693 41.0313 174.7741 105 H 4.3259 7.9843 114.0359 56.0084 29.7616 175.3084 106 C 4.4815 8.7625 114.2898 57.0352 37.6426 174.2230 107 G 3.7560 8.8100 102.2271 46.4767 0.0000 174.3235 108 R 4.5182 8.4365 114.7019 55.9467 28.4561 176.6317 109 E 4.4480 8.0035 115.1178 55.8480 31.3368 176.0556 110 Q 4.4230 8.7204 119.6357 56.3319 30.2390 176.6055 111 R 4.5583 8.4866 121.7341 56.6668 31.9717 175.3811 112 R 5.3283 8.7545 118.6128 55.2872 33.9261 173.0368 113 A 5.5140 9.3487 127.4680 50.2675 21.8772 175.1991 114 V 4.6105 9.2935 123.4120 61.1099 34.1127 174.4241 115 V 4.6684 8.8834 128.8613 61.3432 33.9092 173.9292 116 M 4.5128 9.0332 129.5362 54.5323 33.5005 174.8604 117 I 4.6256 8.9012 129.1497 60.1790 38.9523 175.3754 118 S 5.2430 8.7456 123.9054 56.7849 65.3710 173.2196 119 C 4.8533 8.6084 123.4209 57.0644 39.3919 173.0578 120 N 4.8305 8.6208 124.7020 52.6153 40.3907 174.9351 121 R 4.0021 8.9051 126.4252 58.8796 30.3337 177.5898 122 H 4.6476 8.5596 113.6332 56.4128 29.3676 174.8922 123 T 4.6424 7.5258 113.6128 60.5882 70.1890 174.0931 124 L 3.9259 8.7186 128.5525 57.8009 42.5576 176.9124 125 A 5.1917 7.3692 115.4368 52.4902 21.8605 174.4234 126 D 4.4723 8.5370 120.5554 54.4092 44.2814 174.3507 127 N 4.3808 8.5353 115.3812 54.1088 35.7667 174.8140 128 F 4.5045 8.3489 119.5740 58.2320 40.4102 173.3881 129 N 4.7269 8.9435 126.6836 51.0600 42.0164 171.5289 130 P 4.3356 0.0000 0.0000 62.9607 31.5103 176.0844 131 V 3.9789 8.1738 125.6114 63.9574 32.4303 175.6575 132 S 4.4507 6.7324 112.0770 57.7923 65.6421 174.0708 133 E 4.4045 8.4960 120.7063 54.0795 32.2777 174.4753 134 E 4.2006 8.5890 128.4660 54.0021 31.0945 175.5442 135 R 4.1711 8.1560 123.0489 55.6545 30.1164 175.9421 136 G 4.0266 8.3308 105.5343 45.7613 0.0000 173.8867 137 K 4.6730 7.4350 117.8330 53.8979 35.4246 177.7744 138 V 3.6767 8.2667 113.5722 63.8762 31.7604 176.0920 139 Q 4.4572 7.8952 115.0142 56.2800 30.5930 172.4518 140 D 4.4754 8.9420 114.8246 55.8220 37.8232 175.0402 141 C 4.8347 8.7549 116.2273 56.6570 37.9390 173.2128 142 F 5.0554 7.8947 113.3493 57.0768 41.2511 172.1689 143 Y 4.7755 8.9234 117.5173 56.1256 40.5531 174.6101 144 L 5.1868 8.7850 125.7878 53.3465 44.9788 175.1410 145 F 5.1165 9.1197 123.3815 55.8887 43.9373 173.4000 146 E 5.3419 8.7591 118.6131 55.4737 34.1722 174.4916 147 M 5.2012 8.5931 117.5052 55.6374 35.1899 173.1306 148 D 5.3875 8.8041 120.0906 53.3879 44.0084 175.7053 149 S 5.2416 8.5674 112.1157 58.4755 66.1341 177.0641 150 S 4.3464 9.0571 122.2195 60.9302 63.1216 176.4187 151 L 3.9387 7.6171 119.9635 57.1149 41.3777 177.7136 152 A 4.2651 7.8248 120.2664 52.8509 19.0158 176.3364 153 C 4.6321 7.9053 114.2358 56.2655 41.2245 174.0849 154 S 4.2457 8.3675 118.3517 58.7949 63.3097 173.9584 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 3 E 8.44 4.24 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 4 K 7.84 3.99 0.00 1.85 1.98 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 5 T 8.75 4.65 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 1.22 0.00 0.00 6 C 8.50 4.89 0.00 2.95 3.16 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 7 D 9.07 5.10 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.47 5.21 0.00 1.57 1.65 0.98 1.14 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 9 V 8.21 3.67 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 0.73 0.00 0.00 0.96 0.00 0.00 10 G 8.86 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 0.00 0.00 0.00 0.00 11 E 8.67 4.11 0.00 2.02 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 2.39 2.34 0.00 12 K 8.39 4.09 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 13 G 9.05 4.08 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 0.00 14 K 7.86 4.30 0.00 1.95 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.55 7.81 15 E 7.87 4.28 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 16 S 8.54 4.19 0.00 3.91 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 17 E 8.83 4.00 0.00 2.13 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 2.38 2.47 0.00 18 K 7.97 4.00 0.00 1.86 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.54 7.81 19 E 8.15 4.06 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 20 L 8.13 4.02 0.00 1.89 1.75 1.06 0.69 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 21 A 8.17 4.03 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 22 L 7.93 3.96 0.00 2.02 1.76 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.86 4.13 0.00 1.90 1.91 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.95 4.06 0.00 1.80 2.00 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 25 R 7.55 3.87 0.00 1.81 2.12 0.00 3.27 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 26 L 7.84 4.22 0.00 1.99 1.77 1.00 0.65 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 27 T 7.08 2.00 3.97 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 0.00 0.00 0.91 0.00 0.00 28 P 0.00 4.28 0.00 2.16 2.09 0.00 3.56 0.00 0.00 3.48 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 29 L 7.98 4.34 0.00 1.92 1.88 0.99 1.31 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 30 F 7.96 4.69 0.00 2.97 2.97 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 0.00 0.00 0.00 31 Q 7.99 4.08 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 32 K 7.58 4.12 0.00 1.65 1.02 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.28 7.81 33 S 7.26 4.36 0.00 3.58 3.41 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 0.00 34 F 8.76 4.97 0.00 2.38 2.52 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 35 E 8.74 5.79 0.00 1.95 1.83 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 2.42 2.13 0.00 36 S 8.87 4.80 0.00 4.30 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 37 T 8.93 5.80 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 1.30 0.00 0.00 *44 M 8.19 3.99 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 45 Y 8.16 5.43 0.00 2.91 2.37 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 46 S 8.77 5.03 0.00 3.92 3.70 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 47 Y 9.62 5.22 0.00 3.24 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 48 V 8.69 4.97 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 0.96 0.00 0.00 0.96 0.00 0.00 49 F 9.36 5.67 0.00 2.63 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 0.00 0.00 0.00 50 R 8.62 4.43 0.00 1.68 1.52 0.00 3.06 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.43 0.00 51 V 8.10 4.01 2.24 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 1.23 0.00 0.00 0.84 0.00 0.00 52 C 9.29 3.69 0.00 1.90 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 53 R 6.77 3.91 0.00 1.44 1.51 0.00 3.19 0.00 0.00 2.78 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.61 0.00 54 E 8.57 4.26 0.00 2.03 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 2.31 2.52 0.00 55 A 8.98 4.28 1.35 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 56 G 7.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.80 4.60 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 58 H 7.70 4.91 0.00 3.10 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.12 4.08 0.00 4.00 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 60 S 7.58 4.53 0.00 3.97 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 61 G 8.49 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.97 4.22 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 63 G 8.87 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 64 L 7.75 5.22 0.00 2.02 1.60 0.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.79 4.87 2.03 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 0.63 0.00 0.00 0.92 0.00 0.00 66 Q 9.00 4.43 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 1.82 1.18 0.00 67 I 8.59 4.71 1.86 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 1.08 0.66 0.91 0.00 0.00 68 Q 9.45 4.45 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 69 K 8.73 3.93 0.00 1.81 1.86 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.56 7.81 70 S 8.33 4.22 0.00 3.96 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 71 N 7.91 4.86 0.00 2.85 3.01 0.00 0.00 6.07 8.01 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 72 G 8.46 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 73 K 7.59 4.22 0.00 2.10 1.72 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.45 7.81 74 E 8.82 4.97 0.00 1.94 1.75 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 2.12 2.24 0.00 75 T 8.74 4.56 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 1.11 0.00 0.00 76 V 8.65 3.95 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 0.75 0.00 0.00 0.89 0.00 0.00 77 V 9.02 3.92 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 0.55 0.00 0.00 0.66 0.00 0.00 78 G 7.70 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 79 R 8.82 4.97 0.00 1.60 1.64 0.00 3.15 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 80 F 7.67 4.30 0.00 3.14 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 81 N 7.46 4.64 0.00 2.77 2.73 0.00 0.00 5.88 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.03 4.80 0.00 2.13 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 2.23 2.24 0.00 83 T 8.66 5.32 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 1.38 0.00 0.00 84 Q 9.05 4.99 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 85 I 9.36 5.69 1.90 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 0.99 0.36 0.97 0.00 0.00 86 F 7.99 5.11 0.00 3.07 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.61 4.19 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 88 G 5.93 3.59 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 0.00 0.00 0.00 89 S 8.73 4.23 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 7.98 5.39 0.00 2.78 3.02 0.00 0.00 6.27 8.88 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 91 W 7.42 5.53 0.00 3.50 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 92 I 9.18 4.80 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.63 0.90 0.00 0.00 93 M 9.10 4.92 0.00 0.89 1.77 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 94 L 8.71 5.07 0.00 1.70 1.35 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 95 I 9.02 5.04 1.97 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 1.24 0.89 1.06 0.00 0.00 96 Y 9.12 5.44 0.00 2.95 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 97 K 9.13 4.83 0.00 1.78 1.83 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 98 G 8.81 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.86 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 0.00 100 D 8.99 4.68 0.00 2.58 2.56 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 0.00 101 E 8.67 4.73 0.00 1.89 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 0.00 2.37 2.37 0.00 102 Y 8.80 4.30 0.00 3.05 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 0.00 103 D 8.98 4.70 0.00 2.73 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 0.00 104 N 8.24 4.79 0.00 2.55 2.69 0.00 0.00 6.95 8.16 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 0.00 105 H 7.98 4.33 0.00 2.68 2.93 0.00 5.96 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 0.00 106 C 8.76 4.48 0.00 2.81 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 0.00 107 G 8.81 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 0.00 108 R 8.44 4.52 0.00 2.02 2.13 0.00 3.15 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 109 E 8.00 4.45 0.00 2.17 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 2.56 2.50 0.00 110 Q 8.72 4.42 0.00 2.11 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 111 R 8.49 4.56 0.00 1.76 1.96 0.00 2.95 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.36 0.00 112 R 8.75 5.33 0.00 2.03 1.96 0.00 3.29 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 113 A 9.35 5.51 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.29 4.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.82 0.00 0.00 115 V 8.88 4.67 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 0.77 0.00 0.00 0.34 0.00 0.00 116 M 9.03 4.51 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 117 I 8.90 4.63 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.93 0.00 0.00 118 S 8.75 5.24 0.00 3.81 3.81 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 0.00 119 C 8.61 4.85 0.00 3.17 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 0.00 120 N 8.62 4.83 0.00 2.80 2.67 0.00 0.00 7.22 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 0.00 121 R 8.91 4.00 0.00 1.76 1.88 0.00 3.30 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 122 H 8.56 4.65 0.00 3.30 3.36 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 0.00 123 T 7.53 4.64 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 124 L 8.72 3.93 0.00 1.78 1.68 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.37 5.19 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 0.00 126 D 8.54 4.47 0.00 2.71 2.54 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 0.00 0.00 0.00 127 N 8.54 4.38 0.00 2.98 2.89 0.00 0.00 6.45 8.13 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 0.00 128 F 8.35 4.50 0.00 2.89 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 0.00 129 N 8.94 4.73 0.00 2.66 2.47 0.00 0.00 6.78 7.58 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 0.00 130 P 0.00 4.34 0.00 1.86 1.55 0.00 3.65 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 131 V 8.17 3.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.79 0.00 0.00 132 S 6.73 4.45 0.00 3.68 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 0.00 133 E 8.50 4.40 0.00 1.45 1.50 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 1.61 1.47 0.00 134 E 8.59 4.20 0.00 1.30 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 1.90 1.95 0.00 135 R 8.16 4.17 0.00 1.42 1.83 0.00 2.65 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.32 0.00 136 G 8.33 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.43 4.67 0.00 1.79 1.70 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.36 1.49 7.81 138 V 8.27 3.68 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 0.70 0.00 0.00 0.92 0.00 0.00 139 Q 7.90 4.46 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 140 D 8.94 4.48 0.00 2.92 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 0.00 141 C 8.75 4.83 0.00 2.97 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 7.89 5.06 0.00 3.13 3.16 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 0.00 143 Y 8.92 4.78 0.00 3.20 2.56 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 0.00 144 L 8.79 5.19 0.00 1.77 1.44 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.12 5.12 0.00 2.81 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 E 8.76 5.34 0.00 1.78 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 0.00 2.15 2.15 0.00 147 M 8.59 5.20 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 148 D 8.80 5.39 0.00 2.76 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 0.00 149 S 8.57 5.24 0.00 3.88 3.65 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 0.00 150 S 9.06 4.35 0.00 4.03 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 0.00 151 L 7.62 3.94 0.00 1.65 1.76 0.90 1.11 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 0.00 152 A 7.82 4.27 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 0.00 153 C 7.91 4.63 0.00 3.06 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 0.00 154 S 8.37 4.25 0.00 3.90 3.65 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 * Residues marked with a * may have inaccurate shift predictions.