NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2006 8.2649 123.5884 51.7127 20.2294 173.4609 5 E 3.8583 9.0360 124.9553 56.9926 29.0194 173.5103 6 F 4.8234 8.8120 125.6603 56.5559 41.8737 173.9286 7 D 4.5354 8.2490 129.6067 54.0769 38.4846 174.9411 8 A 3.8926 7.3256 124.0573 51.5910 19.5962 177.9115 9 D 4.5000 8.4638 122.2220 56.3003 41.9987 177.1054 10 V 4.4173 8.1278 117.9371 60.8919 35.3206 174.5200 11 I 4.7923 8.2860 127.3624 59.6713 39.9628 174.3837 12 V 4.6353 8.7615 127.9369 61.4029 33.7748 174.2579 13 D 5.0916 9.0988 127.5014 52.7743 41.3364 176.1543 14 A 4.2177 8.9885 130.3771 53.7535 18.9613 177.1020 15 R 4.2272 7.8785 116.0746 58.3285 30.3779 175.5365 16 D 4.4525 8.9658 124.0447 55.5185 39.3460 172.7298 17 C 5.1655 7.8555 115.4166 57.6693 31.0381 173.7264 18 I 4.1677 8.4479 124.4491 61.8366 36.4714 176.4421 19 M 3.6547 8.9534 126.4171 58.8918 31.9031 178.2472 20 G 3.7362 8.0333 104.7857 48.1663 0.0000 175.5238 21 R 4.0344 7.8874 119.7326 58.6824 30.1742 179.2144 22 V 3.7394 7.9919 118.1008 65.9083 31.6167 177.7596 23 A 4.2464 8.5642 121.0384 55.5730 18.0816 179.5206 24 S 4.1096 8.1785 111.4193 61.5745 62.3562 176.3447 25 Q 4.0907 7.8212 119.4839 58.5672 28.7052 178.4642 26 V 3.6635 8.1106 118.9215 65.3750 31.5767 178.1564 27 A 3.9894 8.0825 121.0074 55.1557 18.1261 179.0839 28 E 3.9093 7.6973 116.4893 59.5427 30.0067 178.7015 29 Q 4.1377 8.3295 117.8203 59.0422 28.8380 178.5644 30 A 4.7867 7.8975 122.9797 54.7454 18.1999 179.3689 31 L 4.2402 7.8413 115.0928 56.5811 41.7220 178.0974 32 D 4.8539 8.3630 118.4868 53.7952 41.2534 177.3977 33 G 4.0027 8.0571 109.2238 45.1912 0.0000 174.5432 34 E 4.0263 7.8903 119.5717 56.6844 30.3296 175.6188 35 T 4.8010 8.4078 119.4629 62.2184 70.2997 173.8903 36 V 5.0245 8.4764 126.2788 61.0408 35.0440 174.4997 37 A 5.0586 8.7748 126.6657 50.4173 22.1684 175.2199 38 V 4.2711 8.7317 123.6456 62.5874 32.8302 175.4469 39 V 4.5820 8.8452 128.3492 61.3833 34.1114 174.6958 40 N 4.6376 9.2451 118.8014 53.7602 36.8250 176.8618 41 A 4.1273 8.3353 123.1265 55.4350 18.8485 180.6826 42 E 3.6105 8.0999 113.0402 59.1865 29.5918 178.1720 43 R 4.4575 8.1495 117.0930 55.8768 31.3473 176.5595 44 A 4.9408 8.4098 123.0107 51.9124 19.9731 177.4641 45 V 5.6479 8.9811 118.2508 58.7385 35.2003 174.5223 46 I 4.7972 8.2099 115.7995 59.3741 40.2808 175.0480 47 T 4.3859 8.5334 122.3979 63.8217 69.5009 174.6870 48 G 3.6316 7.4129 109.6084 44.4090 0.0000 173.4756 49 R 4.2983 8.3692 121.7958 55.2455 29.6245 177.8744 50 E 3.7598 8.2910 126.3702 58.8398 30.4162 178.1249 51 E 3.9659 8.3365 118.6694 59.6272 29.5633 179.4228 52 Q 3.9920 8.2389 117.3518 59.3087 28.8050 178.2171 53 I 3.7478 7.8131 121.6148 64.3253 37.2465 178.3916 54 V 3.6846 8.1357 119.0013 65.9049 31.3743 177.6327 55 E 3.9605 8.0335 118.8442 59.0711 28.9608 178.7561 56 K 3.9073 8.1101 119.7965 59.6511 32.4482 178.3771 57 Y 3.9097 8.2468 116.5159 60.3832 37.8379 177.8264 58 E 4.1621 8.3591 120.1426 59.0334 29.4920 178.9756 59 K 3.8863 7.8950 119.3604 59.5329 32.0008 179.1050 60 R 3.4735 7.1837 116.2269 58.5517 29.8040 178.6778 61 V 3.9413 6.9711 116.4653 65.6545 31.6882 177.4225 62 D 4.5059 7.8983 117.9191 55.9655 41.0206 177.2580 63 I 3.6239 7.1549 119.4756 61.3064 37.5579 175.2523 64 G 4.4072 8.0346 108.7139 43.4715 0.0000 171.5137 65 N 4.2572 7.6196 114.2687 53.2150 40.3912 173.3965 66 D 4.5077 9.0808 116.9142 58.0918 41.1414 177.4807 67 N 4.3280 8.2948 116.4258 55.1139 39.2036 175.8764 68 G 4.1361 9.2589 103.3188 46.4504 0.0000 172.7162 69 Y 4.5556 7.9907 119.9256 55.0159 38.6678 174.9555 70 F 4.2485 8.2585 121.8615 58.9312 40.1581 173.3201 71 Y 4.0789 8.1597 128.6558 54.3109 41.0949 173.2303 72 P 4.2508 0.0000 0.0000 62.8234 31.9918 176.0393 73 K 4.5345 8.4195 118.1878 56.9790 34.3679 176.8655 74 R 4.3144 7.7876 118.1293 54.9658 30.5284 175.8192 75 P 3.7725 0.0000 0.0000 65.5455 30.8268 177.2873 76 D 4.0284 6.4066 115.3095 56.8023 42.1293 176.7616 77 G 3.7565 7.6625 110.4857 46.4137 0.0000 173.2858 *78 I 4.1457 7.9566 118.3465 59.6191 37.7971 175.6681 79 F 4.1351 8.1089 122.5351 61.4145 39.2940 177.3692 80 K 4.0246 8.2283 118.7713 59.6815 32.0071 178.5271 81 R 3.9465 8.3791 119.1359 59.7093 29.7779 178.4873 82 T 3.9411 7.8797 114.6920 66.7686 68.5974 176.3165 83 I 4.0328 8.0158 121.6904 64.3806 37.2872 178.3974 84 R 3.4956 8.2167 119.5991 58.8081 29.4974 177.8456 85 G 3.9704 7.7537 102.8956 45.4495 0.0000 173.6694 86 M 4.7524 7.9971 119.0499 54.5892 33.1459 175.3674 87 L 4.8499 7.4357 118.4976 52.2870 45.4205 175.9004 88 P 4.5919 0.0000 0.0000 61.9995 29.6830 176.5632 89 H 4.4114 8.0609 114.5713 57.6611 28.8159 176.8632 90 K 4.3571 7.6626 118.2149 56.3687 32.9307 176.4075 91 K 4.6276 7.4194 118.9364 54.2746 35.7324 176.1681 92 Q 3.9209 8.5901 122.1484 59.7500 28.8978 178.9707 93 R 3.9973 8.0844 118.7647 59.4870 30.1013 178.4551 94 G 4.2458 8.0431 106.0677 47.4647 0.0000 175.3351 95 R 4.0601 8.5110 122.0370 58.9351 29.8179 178.2905 96 E 3.9763 8.2240 117.3743 59.4093 29.7558 178.7986 97 A 4.2529 8.0539 121.8071 54.6276 18.3847 179.1429 98 F 4.2920 8.4569 118.9883 61.8030 39.2823 176.8055 99 E 4.1074 8.5811 115.2615 57.3662 29.4339 177.2219 100 S 5.1111 8.1888 114.9571 57.8921 64.4098 173.6614 101 V 4.8405 7.6294 119.4641 62.3221 34.2700 174.6431 102 R 4.3000 8.8077 125.6512 54.1792 34.2522 174.1935 103 V 4.5621 7.7266 121.5718 61.3038 33.7878 174.2586 104 Y 4.8248 9.1755 123.8827 56.0497 42.3118 174.3797 105 L 4.4845 8.6991 122.1400 55.1010 42.7271 178.3685 106 G 3.7844 9.3570 114.2927 44.8868 0.0000 171.8420 107 N 5.0249 8.3395 119.1314 51.2892 40.3814 173.4776 108 P 4.5224 0.0000 0.0000 63.1200 31.6212 175.5715 109 Y 4.8137 6.8992 115.0917 56.6621 40.0097 175.6237 110 D 4.4620 8.6698 121.3978 57.0434 41.3470 176.9674 111 E 4.2239 7.9224 118.4183 55.6613 30.7085 174.6236 112 D 4.7485 8.3116 118.4665 52.0788 43.5231 175.9398 113 G 4.0576 7.9414 112.5320 46.9410 0.0000 172.4018 114 E 4.5437 9.2143 120.2214 55.2978 32.2686 175.3613 115 V 4.5505 8.0219 120.1334 60.8530 32.2404 175.4096 116 L 4.1307 8.4914 128.6273 54.7088 42.2212 176.9709 117 D 4.3903 8.4454 122.3087 55.6198 41.2995 177.3843 118 G 3.9776 8.7967 109.9675 46.0761 0.0000 174.0078 119 T 4.4754 7.4622 108.3131 61.5124 70.0866 173.7893 120 S 4.9691 7.9288 116.8687 57.1905 63.9237 172.7067 121 L 4.4562 8.6322 129.6294 53.3327 43.4632 175.4519 122 D 4.5360 8.5145 126.3899 52.9360 40.5762 176.6325 123 R 3.7668 8.4179 126.9170 58.9984 30.1871 178.2109 124 L 4.2622 8.0052 115.4610 56.1132 41.9684 177.3734 125 S 4.7809 8.0900 113.5355 57.9181 63.6487 173.4796 126 N 5.1248 7.9442 117.0621 51.9675 42.2320 174.1262 127 I 4.5343 8.5893 121.8542 61.8216 40.0318 176.2600 128 K 4.5603 7.8476 121.1420 54.4618 30.8189 175.5685 129 F 5.2286 7.5630 117.2750 55.7192 41.4282 173.3657 130 V 4.4245 9.0306 118.7928 61.5031 35.7935 173.7189 131 T 5.0446 8.7037 119.5233 61.5137 70.5464 175.7214 132 L 3.8485 8.6972 126.8428 58.1784 41.6939 180.2324 133 G 3.5315 7.9732 105.2922 47.8550 0.0000 175.6053 134 E 4.0986 8.4020 121.2196 59.0759 29.4387 179.5998 135 I 3.6204 7.4861 119.2896 64.6419 37.2461 178.3876 136 S 4.6965 8.4121 117.6014 61.0866 62.6293 176.8817 137 E 4.0802 8.5596 121.2118 59.7230 29.0354 179.4742 138 T 3.8828 7.6611 114.3423 66.6970 68.6892 176.5820 139 L 4.2088 8.1898 119.6076 56.2712 41.6717 178.2879 140 G 4.0226 7.8323 106.1446 44.7635 0.0000 173.8196 141 A 4.1627 8.0378 122.8246 51.8382 18.9563 177.0607 142 N 4.4521 8.5670 119.8425 52.6637 39.7618 176.5767 143 K 2.4800 7.9821 128.7824 56.0384 29.6616 175.8094 144 T 3.8432 7.3486 116.5902 64.2882 68.1719 173.6697 145 W 4.4078 8.0051 121.7274 56.6168 28.3501 175.7117 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 4 A 8.26 4.20 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 5 E 9.04 3.86 0.00 2.30 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 2.24 2.39 0.00 6 F 8.81 4.82 0.00 3.00 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 7 D 8.25 4.54 0.00 2.59 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.33 3.89 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 9 D 8.46 4.50 0.00 2.52 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.13 4.42 2.07 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 1.01 0.00 0.00 0.91 0.00 0.00 11 I 8.29 4.79 1.76 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.26 0.95 0.00 0.00 12 V 8.76 4.64 2.09 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 1.08 0.00 0.00 0.95 0.00 0.00 13 D 9.10 5.09 0.00 2.76 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 14 A 8.99 4.22 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 15 R 7.88 4.23 0.00 1.81 2.13 0.00 3.45 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 16 D 8.97 4.45 0.00 2.90 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 17 C 7.86 5.17 0.00 3.16 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 18 I 8.45 4.17 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 0.92 0.00 0.00 19 M 8.95 3.65 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 2.07 0.00 20 G 8.03 3.74 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 0.00 0.00 0.00 21 R 7.89 4.03 0.00 2.02 2.00 0.00 3.13 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 22 V 7.99 3.74 2.51 0.00 0.00 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 1.07 0.00 0.00 23 A 8.56 4.25 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 0.00 0.00 0.00 0.00 0.00 24 S 8.18 4.11 0.00 3.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.82 4.09 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 26 V 8.11 3.66 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 1.06 0.00 0.00 1.05 0.00 0.00 27 A 8.08 3.99 1.47 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 0.00 0.00 28 E 7.70 3.91 0.00 1.93 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 2.34 2.51 0.00 29 Q 8.33 4.14 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 30 A 7.90 4.79 1.47 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 0.00 0.00 31 L 7.84 4.24 0.00 2.05 1.77 0.95 0.96 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 32 D 8.36 4.85 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.06 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 34 E 7.89 4.03 0.00 2.04 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 2.40 2.42 0.00 35 T 8.41 4.80 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 0.76 0.00 0.00 36 V 8.48 5.02 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 0.99 0.00 0.00 0.97 0.00 0.00 37 A 8.77 5.06 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.73 4.27 1.60 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 0.30 0.00 0.00 0.68 0.00 0.00 39 V 8.85 4.58 2.30 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 1.11 0.00 0.00 1.08 0.00 0.00 40 N 9.25 4.64 0.00 2.93 2.90 0.00 0.00 7.16 7.60 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 41 A 8.34 4.13 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 42 E 8.10 3.61 0.00 1.33 1.43 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 2.30 2.26 0.00 43 R 8.15 4.46 0.00 1.92 2.01 0.00 3.17 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 44 A 8.41 4.94 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 45 V 8.98 5.65 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 0.52 0.00 0.00 1.18 0.00 0.00 46 I 8.21 4.80 1.87 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 1.32 0.83 0.82 0.00 0.00 47 T 8.53 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 1.31 0.00 0.00 48 G 7.41 3.63 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 0.00 0.00 0.00 49 R 8.37 4.30 0.00 1.85 1.85 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 50 E 8.29 3.76 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 2.35 2.41 0.00 51 E 8.34 3.97 0.00 2.09 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 2.40 2.44 0.00 52 Q 8.24 3.99 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 53 I 7.81 3.75 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.20 0.93 0.00 0.00 54 V 8.14 3.68 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 1.02 0.00 0.00 0.97 0.00 0.00 55 E 8.03 3.96 0.00 2.32 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 2.29 2.31 0.00 56 K 8.11 3.91 0.00 1.86 1.97 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 1.33 7.81 57 Y 8.25 3.91 0.00 3.15 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 58 E 8.36 4.16 0.00 2.19 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 2.38 2.68 0.00 59 K 7.90 3.89 0.00 1.91 1.80 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.36 7.81 60 R 7.18 3.47 0.00 1.24 0.82 0.00 2.22 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.35 0.00 61 V 6.97 3.94 2.30 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 0.92 0.00 0.00 1.17 0.00 0.00 62 D 7.90 4.51 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.15 3.62 1.40 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.48 0.48 0.00 0.00 64 G 8.03 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 0.00 0.00 0.00 0.00 65 N 7.62 4.26 0.00 2.80 2.84 0.00 0.00 5.99 8.06 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 66 D 9.08 4.51 0.00 2.71 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.29 4.33 0.00 2.71 3.03 0.00 0.00 7.18 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 68 G 9.26 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 69 Y 7.99 4.56 0.00 2.91 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 70 F 8.26 4.25 0.00 3.02 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 71 Y 8.16 4.08 0.00 3.03 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 72 P 0.00 4.25 0.00 1.96 1.79 0.00 2.20 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.55 0.00 73 K 8.42 4.53 0.00 1.89 1.93 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 74 R 7.79 4.31 0.00 1.86 1.87 0.00 3.61 0.00 0.00 3.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 75 P 0.00 3.77 0.00 1.85 1.84 0.00 3.32 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 76 D 6.41 4.03 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.66 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 *78 I 7.96 4.15 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 1.30 0.57 0.91 0.00 0.00 79 F 8.11 4.14 0.00 3.26 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 K 8.23 4.02 0.00 1.88 1.93 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.46 1.80 7.81 81 R 8.38 3.95 0.00 1.91 2.03 0.00 3.16 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 82 T 7.88 3.94 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 1.17 0.00 0.00 83 I 8.02 4.03 2.31 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 1.65 1.20 1.11 0.00 0.00 84 R 8.22 3.50 0.00 1.47 1.71 0.00 2.45 0.00 0.00 2.71 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.50 0.00 85 G 7.75 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 0.00 0.00 0.00 0.00 86 M 8.00 4.75 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 87 L 7.44 4.85 0.00 1.52 1.55 1.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.59 0.00 2.21 2.21 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 89 H 8.06 4.41 0.00 3.10 3.13 0.00 5.50 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.66 4.36 0.00 1.60 1.78 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.16 7.81 91 K 7.42 4.63 0.00 1.77 1.69 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.58 7.81 92 Q 8.59 3.92 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.69 2.46 0.00 93 R 8.08 4.00 0.00 1.93 1.94 0.00 3.26 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 94 G 8.04 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 95 R 8.51 4.06 0.00 2.05 2.19 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 96 E 8.22 3.98 0.00 2.27 2.04 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 2.38 2.49 0.00 97 A 8.05 4.25 1.48 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 98 F 8.46 4.29 0.00 3.09 3.31 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 99 E 8.58 4.11 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 100 S 8.19 5.11 0.00 3.93 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 0.00 101 V 7.63 4.84 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 0.78 0.00 0.00 1.09 0.00 0.00 102 R 8.81 4.30 0.00 1.04 0.80 0.00 2.21 0.00 0.00 2.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 103 V 7.73 4.56 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 0.61 0.00 0.00 0.63 0.00 0.00 104 Y 9.18 4.82 0.00 2.84 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.70 4.48 0.00 1.62 1.71 1.17 0.77 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 0.00 106 G 9.36 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 0.00 107 N 8.34 5.02 0.00 2.74 2.68 0.00 0.00 6.71 7.71 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 0.00 108 P 0.00 4.52 0.00 1.73 1.87 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.03 0.00 109 Y 6.90 4.81 0.00 2.97 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 0.00 110 D 8.67 4.46 0.00 2.70 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 0.00 111 E 7.92 4.22 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 112 D 8.31 4.75 0.00 2.63 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 0.00 113 G 7.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.21 4.54 0.00 2.01 2.08 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 2.41 2.25 0.00 115 V 8.02 4.55 2.09 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 0.84 0.00 0.00 0.94 0.00 0.00 116 L 8.49 4.13 0.00 1.78 1.60 0.96 1.11 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 0.00 117 D 8.45 4.39 0.00 2.67 2.61 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 0.00 0.00 0.00 0.00 118 G 8.80 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 0.00 119 T 7.46 4.48 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 1.31 0.00 0.00 120 S 7.93 4.97 0.00 3.89 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 0.00 121 L 8.63 4.46 0.00 1.47 1.42 0.79 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.51 4.54 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 3.77 0.00 1.81 2.03 0.00 3.26 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 124 L 8.01 4.26 0.00 1.63 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.09 4.78 0.00 3.96 3.82 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 0.00 126 N 7.94 5.12 0.00 2.54 2.74 0.00 0.00 6.85 7.45 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 0.00 127 I 8.59 4.53 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.92 0.00 0.00 128 K 7.85 4.56 0.00 1.77 2.03 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.46 7.81 129 F 7.56 5.23 0.00 2.97 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 0.00 130 V 9.03 4.42 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 0.95 0.00 0.00 0.87 0.00 0.00 131 T 8.70 5.04 4.59 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 1.33 0.00 0.00 132 L 8.70 3.85 0.00 1.57 1.58 0.95 0.64 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 0.00 133 G 7.97 3.53 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 0.00 0.00 0.00 134 E 8.40 4.10 0.00 2.20 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 2.35 2.38 0.00 135 I 7.49 3.62 1.85 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.39 0.63 0.00 0.00 136 S 8.41 4.70 0.00 4.15 4.18 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 0.00 137 E 8.56 4.08 0.00 2.30 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 2.42 2.93 0.00 138 T 7.66 3.88 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 1.23 0.00 0.00 139 L 8.19 4.21 0.00 1.81 1.84 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.83 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 0.00 0.00 0.00 141 A 8.04 4.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.57 4.45 0.00 2.68 2.74 0.00 0.00 6.98 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.98 2.48 0.00 1.11 1.23 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.49 0.21 7.81 144 T 7.35 3.84 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 1.57 0.00 0.00 145 W 8.01 4.41 0.00 3.47 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 * Residues marked with a * may have inaccurate shift predictions.