NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.9142 8.2233 120.3097 52.8087 40.9486 175.9480 2 L 4.1706 8.5070 118.7114 56.6155 41.1416 178.2196 3 W 4.1944 9.1665 129.4926 60.7695 31.1196 177.6379 4 Q 3.7121 8.2219 118.7609 58.1618 27.9893 178.3977 5 F 4.5276 8.6104 121.9912 61.2057 39.3628 177.5443 6 G 3.3140 8.2223 105.5769 47.8201 0.0000 175.6173 7 Q 3.8315 7.7204 121.4037 58.6954 28.6976 178.9859 8 M 4.0527 8.0993 119.7249 58.4974 31.9954 178.4583 9 I 3.5590 7.6572 120.2070 64.5387 37.2470 177.9764 10 L 4.6428 7.6129 121.7828 57.8359 41.7500 179.1446 11 K 3.9121 8.3368 117.2489 59.2253 32.0012 178.4652 12 E 4.2997 8.0970 117.6941 57.9948 30.0796 177.8125 13 T 4.3840 8.3997 108.0817 60.7634 70.1338 175.9254 14 G 3.6845 8.3502 109.8194 45.9467 0.0000 172.9618 *16 K 4.7029 7.4874 117.8193 55.8815 33.1926 175.4125 17 L 4.5199 8.3538 123.0401 53.8731 42.6096 175.1662 18 P 4.4533 0.0000 0.0000 65.5917 31.4482 176.0564 19 F 4.9879 8.4182 118.2915 55.9788 40.1064 173.3020 20 P 3.8268 0.0000 0.0000 62.5213 31.9638 176.7471 21 Y 4.5759 7.3015 116.2318 60.0409 38.1490 176.6270 22 Y 4.4878 8.9451 117.0551 59.4213 40.1704 178.1870 23 T 4.1088 8.0262 109.6574 64.1721 69.2523 175.4164 24 T 4.6442 7.8756 110.7983 61.2322 69.1534 172.8212 25 Y 4.6219 8.2062 124.7982 58.2000 40.0160 175.4470 26 G 3.3740 8.7257 117.5112 46.7311 0.0000 173.1767 27 C 4.9473 10.2564 117.1293 57.1159 43.0657 174.2435 28 Y 4.2706 8.4369 118.8716 59.3901 40.5550 178.0885 29 C 4.5892 9.3069 115.8477 60.1779 40.3202 175.0406 30 G 4.6806 8.5401 105.5600 45.3617 0.0000 173.4370 31 W 5.3647 7.5312 129.4022 56.9106 31.2726 175.4180 32 G 3.4607 9.2183 101.7860 46.0208 0.0000 174.9330 33 G 2.3084 7.5672 104.9535 45.6141 0.0000 175.4760 34 Q 3.8409 7.4086 118.4535 55.6178 29.0903 175.6858 35 G 4.7153 7.8112 104.2131 43.7373 0.0000 172.7863 36 Q 4.2179 9.0813 122.8400 55.3088 29.3694 174.3589 37 P 4.5411 0.0000 0.0000 63.4589 31.5713 176.2384 38 K 4.0932 8.7359 120.7537 57.6273 33.3269 175.7126 39 D 4.4875 7.6337 115.6992 51.4969 41.6187 174.8899 40 A 3.9881 8.7344 119.7884 56.2935 17.8158 179.5028 41 T 4.1208 8.1329 112.3472 67.1589 68.8137 175.4987 42 D 4.8474 8.8265 119.4177 57.8208 41.2212 178.6188 43 R 3.9541 8.6775 118.7236 59.3621 29.9204 178.3134 44 C 4.2252 8.4505 116.6069 60.3141 41.1178 175.5458 45 C 4.3981 8.3618 118.2210 59.7885 40.9954 175.9772 46 F 3.3301 7.7289 121.9293 61.0439 38.9299 177.1837 47 V 3.1760 8.0509 118.2809 66.0644 31.2265 177.4467 48 H 3.7912 8.1193 118.1149 59.2429 29.5712 177.0813 49 D 4.2546 8.0872 120.8017 57.3208 40.7358 178.1288 50 C 3.9985 7.9340 117.2775 59.8523 39.8724 175.3129 51 C 4.1345 7.8636 119.5004 59.9129 43.6992 174.9487 52 Y 4.3610 7.9364 118.5181 60.9851 37.1857 178.3722 53 G 3.8746 8.5424 106.6003 48.2303 0.0000 175.3776 54 K 4.1598 7.7247 118.1919 57.5726 33.2675 177.6823 55 L 4.4865 7.6265 122.1135 53.5770 40.7979 177.0073 56 T 3.7667 7.5685 111.4757 64.7891 69.5471 175.8793 *59 N 4.8491 7.9239 117.3494 53.3661 40.4790 173.6894 *61 C 5.2414 7.5564 113.2376 57.5244 41.5365 173.1750 *67 K 4.9944 8.2027 118.3488 55.4601 31.9542 174.7704 68 P 3.9604 0.0000 0.0000 65.3747 31.5183 178.8945 69 K 4.2263 7.8102 117.7518 58.1068 32.3237 177.8730 70 T 4.5489 7.8068 105.8480 60.8766 69.6639 173.0544 71 D 4.5953 8.0954 125.0200 53.7788 42.0979 176.0239 72 R 4.5528 8.5803 125.6657 55.3735 30.1744 172.1065 73 Y 4.9342 7.8459 122.7148 54.2608 40.5630 174.1620 74 S 5.0726 8.8304 113.4625 56.9923 65.1360 172.7657 75 Y 5.4340 8.6706 123.6424 55.8582 41.4907 173.8840 76 S 4.4405 9.9170 115.2716 56.0038 66.0294 174.2535 77 R 5.1713 8.2721 128.6458 55.5773 30.7445 177.9191 78 E 4.0329 7.9795 114.0242 58.1683 29.6283 180.4075 79 N 4.9027 8.0703 116.2472 53.0575 39.2197 176.3769 80 G 4.0319 8.2576 104.7663 45.7314 0.0000 174.2572 81 V 4.4789 7.2299 119.1606 60.6905 34.8663 174.6457 82 I 4.3240 8.5439 128.7673 61.3474 37.9459 175.2629 83 I 4.5327 9.4955 129.1021 59.3807 39.9878 174.4108 84 C 4.7452 9.0354 125.7413 57.1255 40.4035 174.1663 85 G 4.0626 9.5488 116.0131 45.9553 0.0000 173.2666 86 E 4.3731 9.0137 122.8393 55.4108 30.4521 176.3301 87 G 3.9661 7.9179 107.2974 45.8129 0.0000 172.1768 88 T 3.9604 7.7380 109.4561 61.3076 69.5786 173.3466 *90 P 4.3421 0.0000 0.0000 62.9656 33.4990 179.6376 91 C 4.1483 8.2421 115.1305 60.2444 38.3146 175.6307 92 E 4.0638 8.0740 119.5328 59.7203 29.1699 179.7918 93 K 3.9344 8.1456 120.5430 60.1796 32.0234 180.1762 94 Q 3.9458 8.1120 120.8000 60.1738 28.1056 180.2088 95 I 3.8448 8.3589 122.7639 64.3904 37.1776 177.7316 96 C 3.1033 8.3376 119.4635 59.1321 41.5166 175.1169 97 E 3.7573 8.0646 120.9060 59.3346 29.0699 178.0511 98 C 4.1442 8.2719 116.6579 60.3132 40.8289 175.8720 99 D 3.8972 8.0278 120.1768 57.0503 40.3335 178.9335 100 K 3.7977 8.3512 120.1805 59.5188 32.1863 178.7206 101 A 3.8575 8.3906 121.2075 55.0841 18.2235 179.5092 102 A 3.5586 8.0774 119.3329 54.8396 18.3952 179.7986 103 A 3.7791 8.1880 119.5267 55.3165 18.4825 179.8130 104 V 3.4564 8.2737 117.1766 66.3060 31.2057 177.4454 105 C 4.1372 7.8692 117.2167 59.6353 43.1253 174.9293 106 F 4.5704 7.7218 119.7124 60.8472 38.4451 177.5351 107 R 3.9822 8.2827 120.3126 60.3019 29.7576 178.7852 108 E 4.2363 8.5557 115.5632 59.7229 29.6849 178.7710 109 N 5.3313 8.1897 114.7507 53.7945 40.0325 176.3736 110 L 4.1335 8.4868 124.0943 58.0954 41.9335 180.5486 *111 R 3.9706 8.2037 116.8212 58.6898 29.4305 182.5947 112 T 4.5774 7.4881 105.6813 61.0504 69.2825 173.7920 113 Y 4.0083 7.8438 124.3764 58.1402 39.2976 175.0505 114 K 4.3759 8.7500 127.1698 54.1836 33.7274 176.5327 115 K 4.0598 8.9993 126.6928 59.7078 32.0287 178.1392 116 R 4.1185 7.7034 111.9236 57.7789 29.5392 176.2834 117 Y 4.7743 7.9403 116.9029 58.4941 38.2345 175.3038 118 M 4.4297 7.8172 120.3978 56.1355 33.0193 175.9993 119 A 3.7704 8.5086 124.4387 53.2636 16.8510 177.0762 120 Y 4.0435 7.6669 121.0666 56.5634 40.1432 173.1446 121 P 4.0667 0.0000 0.0000 62.5524 31.8643 176.8475 122 D 3.3700 8.4046 123.7607 56.9553 40.8898 179.0395 *124 V 3.8127 7.7361 116.6758 62.6856 32.8882 175.8605 125 L 4.2977 7.6553 116.2792 55.3346 41.8386 175.9792 126 C 4.5917 7.8215 117.9946 56.5996 38.3234 173.8611 127 K 4.6071 8.7458 125.0521 55.7110 34.0446 176.7768 *128 K 4.4282 8.5602 125.6764 54.3914 32.4144 176.1805 129 P 4.1160 0.0000 0.0000 62.7551 31.5629 175.8604 130 A 4.6279 8.4628 123.2196 51.4259 20.6458 175.2123 131 E 4.6484 7.8887 116.6079 54.8827 32.1255 175.8033 *132 K 4.6902 8.1932 121.1133 52.5732 34.7360 177.8746 133 C 4.3760 8.9023 117.7690 57.2097 41.0620 173.9088 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 1 D 8.22 4.91 0.00 3.15 2.87 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 2 L 8.51 4.17 0.00 1.90 2.00 1.10 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.17 4.19 0.00 3.53 3.55 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 4 Q 8.22 3.71 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 5 F 8.61 4.53 0.00 3.47 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.22 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 0.00 0.00 0.00 7 Q 7.72 3.83 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 1.61 1.25 0.00 8 M 8.10 4.05 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.16 0.00 9 I 7.66 3.56 1.80 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.33 0.62 0.00 0.00 10 L 7.61 4.64 0.00 1.74 1.78 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.34 3.91 0.00 1.89 1.89 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.72 7.81 12 E 8.10 4.30 0.00 2.16 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 2.36 2.41 0.00 13 T 8.40 4.38 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 1.20 0.00 0.00 14 G 8.35 3.68 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 0.00 0.00 0.00 *16 K 7.49 4.70 0.00 1.84 1.41 0.00 1.37 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 1.26 7.81 17 L 8.35 4.52 0.00 1.79 1.82 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.45 0.00 2.25 2.09 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 19 F 8.42 4.99 0.00 3.06 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 20 P 0.00 3.83 0.00 1.56 0.49 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.20 0.00 21 Y 7.30 4.58 0.00 2.87 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 22 Y 8.95 4.49 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.03 4.11 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 1.39 0.00 0.00 24 T 7.88 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 1.34 0.00 0.00 25 Y 8.21 4.62 0.00 3.17 3.03 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 26 G 8.73 3.37 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 0.00 27 C 10.26 4.95 0.00 3.04 3.30 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 0.00 28 Y 8.44 4.27 0.00 3.18 3.33 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 29 C 9.31 4.59 0.00 3.58 3.62 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 30 G 8.54 4.68 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 0.00 0.00 0.00 31 W 7.53 5.36 0.00 3.28 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 32 G 9.22 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 2.31 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 0.00 34 Q 7.41 3.84 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 35 G 7.81 4.72 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 0.00 0.00 0.00 36 Q 9.08 4.22 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 37 P 0.00 4.54 0.00 1.83 1.97 0.00 3.44 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.92 0.00 38 K 8.74 4.09 0.00 1.24 1.24 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.83 0.68 7.81 39 D 7.63 4.49 0.00 2.91 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 40 A 8.73 3.99 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 41 T 8.13 4.12 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 42 D 8.83 4.85 0.00 3.21 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 43 R 8.68 3.95 0.00 2.14 2.02 0.00 3.27 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 44 C 8.45 4.23 0.00 2.98 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 45 C 8.36 4.40 0.00 3.57 3.64 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 46 F 7.73 3.33 0.00 1.88 2.87 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 47 V 8.05 3.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 48 H 8.12 3.79 0.00 3.10 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.09 4.25 0.00 2.93 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 50 C 7.93 4.00 0.00 2.77 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 51 C 7.86 4.13 0.00 2.90 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 52 Y 7.94 4.36 0.00 3.07 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 53 G 8.54 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.72 4.16 0.00 1.90 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.64 7.81 55 L 7.63 4.49 0.00 1.65 1.57 0.87 1.13 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 56 T 7.57 3.77 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 1.24 0.00 0.00 *59 N 7.92 4.85 0.00 2.78 2.84 0.00 0.00 7.66 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 *61 C 7.56 5.24 0.00 3.11 2.99 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 *67 K 8.20 4.99 0.00 1.81 1.78 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.40 7.81 68 P 0.00 3.96 0.00 0.49 1.33 0.00 3.62 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 69 K 7.81 4.23 0.00 1.85 1.96 0.00 1.68 0.00 0.00 2.01 0.00 0.00 3.15 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.73 1.45 7.81 70 T 7.81 4.55 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 1.24 0.00 0.00 71 D 8.10 4.60 0.00 2.68 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 72 R 8.58 4.55 0.00 1.87 1.71 0.00 3.29 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 73 Y 7.85 4.93 0.00 3.10 3.08 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 74 S 8.83 5.07 0.00 3.99 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 75 Y 8.67 5.43 0.00 3.23 3.03 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 76 S 9.92 4.44 0.00 3.77 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 77 R 8.27 5.17 0.00 2.07 1.88 0.00 3.39 0.00 0.00 3.42 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 78 E 7.98 4.03 0.00 2.06 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 2.26 2.17 0.00 79 N 8.07 4.90 0.00 2.74 2.83 0.00 0.00 7.07 8.23 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 80 G 8.26 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 81 V 7.23 4.48 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 0.98 0.00 0.00 0.94 0.00 0.00 82 I 8.54 4.32 1.88 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 1.41 0.74 0.92 0.00 0.00 83 I 9.50 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 1.42 1.37 0.94 0.00 0.00 84 C 9.04 4.75 0.00 2.83 2.99 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 85 G 9.55 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 86 E 9.01 4.37 0.00 2.00 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 2.33 2.27 0.00 87 G 7.92 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 88 T 7.74 3.96 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 *90 P 0.00 4.34 0.00 2.21 2.16 0.00 3.67 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 2.00 2.11 0.00 91 C 8.24 4.15 0.00 2.96 3.14 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 92 E 8.07 4.06 0.00 2.34 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 2.54 2.56 0.00 93 K 8.15 3.93 0.00 2.06 1.82 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.62 1.57 7.81 94 Q 8.11 3.95 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 95 I 8.36 3.84 2.03 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 1.21 0.74 0.97 0.00 0.00 96 C 8.34 3.10 0.00 1.84 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 97 E 8.06 3.76 0.00 2.22 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 2.24 2.33 0.00 98 C 8.27 4.14 0.00 3.29 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 99 D 8.03 3.90 0.00 2.78 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 0.00 100 K 8.35 3.80 0.00 1.69 1.86 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 8.39 3.86 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 0.00 102 A 8.08 3.56 1.15 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 0.00 103 A 8.19 3.78 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 0.00 104 V 8.27 3.46 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 0.94 0.00 0.00 0.91 0.00 0.00 105 C 7.87 4.14 0.00 2.94 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 0.00 106 F 7.72 4.57 0.00 2.89 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 0.00 107 R 8.28 3.98 0.00 1.99 2.11 0.00 3.09 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 108 E 8.56 4.24 0.00 2.06 1.85 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 2.26 2.23 0.00 109 N 8.19 5.33 0.00 3.02 2.91 0.00 0.00 6.89 6.78 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 0.00 110 L 8.49 4.13 0.00 1.71 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *111 R 8.20 3.97 0.00 1.83 1.85 0.00 3.23 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 112 T 7.49 4.58 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 113 Y 7.84 4.01 0.00 3.11 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 0.00 114 K 8.75 4.38 0.00 0.79 1.21 0.00 0.85 0.00 0.00 0.95 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.14 1.29 7.81 115 K 9.00 4.06 0.00 1.93 1.89 0.00 1.94 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.59 1.64 7.81 116 R 7.70 4.12 0.00 1.92 1.95 0.00 2.97 0.00 0.00 3.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.47 0.00 117 Y 7.94 4.77 0.00 1.72 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 0.00 118 M 7.82 4.43 0.00 1.97 2.09 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 2.86 2.61 0.00 119 A 8.51 3.77 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.67 4.04 0.00 2.93 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 0.00 121 P 0.00 4.07 0.00 1.82 1.73 0.00 2.55 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 122 D 8.40 3.37 0.00 2.08 1.54 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 *124 V 7.74 3.81 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 0.71 0.00 0.00 0.78 0.00 0.00 125 L 7.66 4.30 0.00 1.66 1.77 0.65 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.82 4.59 0.00 2.43 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.75 4.61 0.00 1.72 1.73 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.59 7.81 *128 K 8.56 4.43 0.00 1.54 1.60 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.04 7.81 129 P 0.00 4.12 0.00 2.07 2.16 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 130 A 8.46 4.63 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 0.00 131 E 7.89 4.65 0.00 1.38 1.80 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 2.11 2.09 0.00 *132 K 8.19 4.69 0.00 1.74 1.54 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 0.98 7.81 133 C 8.90 4.38 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.