NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2286 8.2549 117.2757 55.3217 31.2067 174.9476 6 K 4.2274 7.7961 118.4299 56.2027 33.2163 174.4286 7 I 4.4245 8.9029 122.3968 59.7554 40.3597 176.3258 8 D 4.4727 8.9663 126.8890 56.3712 41.0421 176.2435 9 S 4.6572 7.4057 109.8986 57.9469 66.1773 174.2039 10 V 4.7198 8.0370 113.1507 59.5261 35.8146 174.3878 11 L 4.9739 8.9779 127.0800 53.4054 44.0969 174.8130 12 L 5.1834 9.2494 126.5873 53.0469 44.6583 175.5759 13 I 4.8668 8.9368 123.8526 59.9623 40.0741 173.9581 14 D 4.9535 8.7479 125.8227 53.2325 44.6541 175.5505 15 D 4.5288 8.8057 122.4640 53.9573 40.5277 176.4489 16 D 4.6010 7.7890 119.7410 53.1859 41.4975 175.9743 17 D 4.3976 8.5598 128.3350 57.5402 40.9756 178.6098 18 I 3.8360 7.9436 119.7729 64.5041 37.1050 178.4977 19 V 3.6157 7.7413 118.4441 66.0623 31.5236 177.5569 20 N 4.3556 8.2352 116.2877 56.3759 38.3751 177.1242 21 F 4.2354 8.8996 122.2530 61.2678 39.4746 177.2568 22 L 3.6414 8.3804 119.0201 57.8272 41.3748 179.2903 23 N 4.3077 8.6202 116.8151 56.4078 38.3781 177.3590 24 T 3.8797 7.9206 114.5038 64.8895 67.3328 176.6107 25 T 3.6922 7.5881 117.9285 66.8075 68.2322 176.5602 26 I 3.4174 7.3058 120.1740 64.1049 37.3419 178.3380 27 I 3.8961 7.9584 121.0616 64.3651 36.9392 178.1566 28 R 3.8352 8.2755 119.2531 59.7182 29.8087 178.8996 29 M 3.9566 8.4831 118.1016 58.0504 32.4150 177.5315 30 T 4.1297 7.9747 112.3675 61.9593 67.9767 174.7527 31 H 4.1740 8.1195 115.8360 56.9689 27.3563 174.6915 32 R 4.4120 7.6577 117.8932 55.9503 30.9742 175.3169 33 V 4.6899 7.3854 116.8780 61.7286 33.7063 175.1664 34 E 4.1783 10.3858 127.9913 59.0768 29.8327 177.0489 35 E 4.7349 8.1311 119.1043 54.4604 33.6410 173.8607 36 I 4.8325 8.3994 125.8766 59.7174 40.1738 174.6078 37 Q 4.7818 8.7935 124.5538 54.1323 33.3809 174.1542 38 S 5.0076 8.3994 113.6766 57.0783 65.5769 173.2278 39 V 4.6470 9.4360 119.7008 59.4773 35.9031 175.9634 40 T 5.0232 8.3114 110.2420 60.3920 69.0474 174.1205 41 S 4.6183 7.4438 115.9713 57.1576 66.5041 176.0116 42 G 3.4616 8.2890 108.4462 47.7664 0.0000 175.5659 43 N 4.2815 8.0721 118.8648 56.4221 39.2205 176.4023 44 A 3.9721 7.7597 122.0340 55.4321 18.3417 179.1891 45 A 3.9316 8.7161 119.3202 55.6984 18.4038 179.7096 46 I 3.8385 7.8655 117.6155 64.9785 37.2507 178.0434 47 N 4.3867 8.5092 117.0135 56.2404 38.3280 177.5696 48 K 3.9503 8.2321 120.8876 59.5816 32.3860 178.8730 49 L 3.8038 8.4371 119.6118 57.6996 40.9730 179.2926 50 N 4.6546 8.7475 116.7518 56.6365 38.4007 177.0384 51 E 4.0251 8.2054 119.1271 59.3697 29.8791 178.5683 52 L 4.2707 8.4900 121.9652 58.4844 41.4383 179.5861 *53 Y 4.0913 8.3832 120.2777 61.8363 36.9310 180.3684 54 A 4.4171 7.7477 119.6320 52.8842 18.6313 176.5810 55 A 4.8035 7.4707 119.2090 49.3602 22.3789 176.2596 56 G 3.9273 8.8692 108.1686 48.6689 0.0000 174.9258 57 R 3.9282 7.8633 117.2409 56.6465 30.4572 175.7545 58 W 5.1398 8.4775 131.1506 55.1572 33.6860 172.2393 59 P 4.2226 0.0000 0.0000 62.2844 31.5570 175.6243 60 S 4.3552 8.9806 117.6481 61.1932 63.2426 173.9259 61 I 5.1141 8.0753 118.7336 59.4364 41.5222 174.5339 62 I 4.9734 8.9169 126.0796 59.7535 40.3551 174.2396 63 C 5.9501 8.7686 124.1460 57.4385 31.5458 173.2654 64 I 4.8984 7.9004 122.2687 59.5608 41.0612 173.8004 65 D 4.7294 8.8062 128.2048 54.3456 41.3508 175.8475 66 I 3.6589 8.7024 127.7926 64.4900 37.9665 175.9418 67 N 4.8184 8.1154 119.5544 52.7618 38.8196 174.6582 68 M 4.8011 8.1428 121.7783 53.0414 36.2271 173.0997 69 P 4.2469 0.0000 0.0000 63.8693 32.4011 177.8199 70 G 3.8154 8.6125 110.1711 44.1743 0.0000 172.5429 71 I 4.4455 8.4005 112.3500 60.9032 38.0468 176.3911 72 N 4.8942 8.7080 121.1149 52.1358 40.7489 175.7778 73 G 3.2923 8.2384 105.9068 47.5466 0.0000 176.0617 74 W 4.3836 7.7233 120.6831 59.9511 29.2785 178.0617 75 E 4.0571 9.0864 118.8473 59.4900 28.8527 179.3605 76 L 3.7785 7.9986 120.4639 57.9580 42.0740 179.1030 77 I 3.0411 7.7050 120.0549 64.3793 36.8454 177.9157 78 D 4.5301 8.2607 118.6953 57.5267 40.8950 178.7715 79 L 4.2525 7.6331 118.9239 57.1901 41.8337 178.9625 80 F 4.4997 8.3616 118.3097 60.7537 38.6399 177.6250 81 K 4.3658 7.9295 116.0370 58.3549 31.9827 177.0565 82 Q 4.5759 8.0650 117.0612 55.3516 30.7443 174.6011 83 H 4.5468 8.2673 114.2977 57.2244 32.1473 173.7676 84 F 5.2043 8.6739 116.3730 57.1958 39.9784 176.8920 85 Q 4.4444 8.8015 123.1634 59.0145 28.8760 177.7892 86 P 4.0701 0.0000 0.0000 65.8452 31.7144 176.6588 87 M 4.0787 8.1064 116.2889 54.8561 31.8219 177.9956 88 K 2.0000 7.7848 123.2087 58.3349 32.1164 177.3223 89 N 4.6878 7.6783 112.2507 52.3962 37.4208 174.8000 90 K 4.2782 7.6406 118.7885 56.9098 32.6174 176.0678 91 S 5.1023 7.8290 111.5466 57.3422 66.3585 173.3083 92 I 4.7636 8.0514 120.9427 59.8502 39.5278 174.6868 93 V 4.9026 9.5250 128.1267 61.2721 33.9234 173.6013 94 C 5.3235 9.4331 129.0298 57.7051 33.9430 172.3673 95 L 5.1207 8.8077 126.0532 53.3416 43.8357 175.5645 96 L 5.1459 8.4418 121.2053 53.2826 46.3894 175.5826 97 S 4.6847 8.5014 115.1620 57.3475 65.7328 174.6710 98 S 4.0140 9.1095 124.2630 61.4180 62.7770 174.4413 99 S 4.6650 7.7491 112.5826 56.2027 63.6290 172.8982 100 L 4.4615 8.3604 129.6409 54.3440 43.0887 175.8742 101 D 5.0163 9.7177 125.2729 50.3429 43.3436 174.8220 102 P 4.2295 0.0000 0.0000 66.2828 31.4130 178.4881 103 R 3.8083 8.1748 116.1843 60.0045 30.0396 178.5639 104 D 4.3579 8.2001 116.6205 57.4529 40.9119 178.9287 105 Q 3.3938 7.7678 119.6768 58.9036 28.9822 178.1517 106 A 3.9572 8.0046 121.7987 55.1317 18.3172 179.7701 107 K 3.7028 7.9073 116.6300 59.3497 31.7974 179.0697 108 A 4.4683 7.9861 119.8266 55.6310 18.3421 179.1884 109 E 4.1137 8.0532 114.8812 60.3385 29.6783 178.6815 110 A 3.8103 8.2232 118.5814 54.5711 18.6265 177.2106 111 S 4.1886 8.7686 112.4601 58.9414 63.1825 174.9014 112 D 4.7526 8.8258 125.2454 54.7340 41.2643 177.2391 113 W 4.4241 8.3982 118.9788 57.4902 29.8778 176.5423 114 V 4.5030 7.8288 117.8176 60.1880 31.8848 175.2543 115 D 4.8311 8.8125 124.4510 54.5335 41.4971 175.6967 116 Y 4.7161 7.6239 118.5504 57.6242 42.3203 171.7768 117 Y 5.1587 8.0880 124.5424 56.7008 41.6567 173.9703 118 V 4.2591 8.3229 119.3198 59.4556 36.9639 174.7424 119 S 5.2633 8.1391 116.1548 57.4273 63.8688 172.6488 120 K 4.7892 8.2489 119.0365 53.7731 34.7832 174.9432 121 P 4.5343 0.0000 0.0000 61.3459 32.5865 175.4542 122 L 3.7673 8.4595 118.5047 55.4716 42.1036 177.9639 123 T 4.5316 8.1259 111.9345 59.8345 72.4572 175.4276 124 A 3.9701 8.3013 122.3754 54.9128 18.6247 178.9812 125 N 4.3289 8.0831 115.0663 56.8696 39.2749 176.8172 126 A 4.1032 7.9416 122.1201 55.2572 18.4347 179.6346 127 L 3.5799 7.8429 117.3652 57.5877 41.5052 179.6036 128 N 4.1187 7.7220 116.6608 56.2860 38.4023 177.1872 129 N 4.3237 7.8661 117.3620 56.1480 38.5990 177.3040 130 L 3.7614 7.2483 120.0015 57.7997 41.7089 179.1809 131 Y 4.3229 7.9276 117.0379 61.3931 37.8740 178.3801 132 N 4.4001 8.6845 117.6274 56.0376 38.2996 177.3762 133 K 3.9708 8.0344 120.9957 59.3024 32.4093 178.8488 134 V 3.7450 7.6480 117.5653 65.4351 31.6148 177.4254 135 L 4.3350 7.8425 118.5213 56.6086 41.4639 177.4392 136 N 5.0395 8.0002 117.3601 53.8935 38.9484 175.6820 137 E 4.2206 7.6092 122.6429 56.4373 29.7107 180.4233 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 R 8.25 4.23 0.00 1.91 2.09 0.00 2.97 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 6 K 7.80 4.23 0.00 1.69 1.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 7 I 8.90 4.42 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.56 0.83 0.00 0.00 8 D 8.97 4.47 0.00 2.66 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 9 S 7.41 4.66 0.00 3.86 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 10 V 8.04 4.72 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 0.71 0.00 0.00 0.91 0.00 0.00 11 L 8.98 4.97 0.00 1.55 1.34 0.84 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.25 5.18 0.00 1.55 1.50 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.94 4.87 1.82 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 1.08 0.95 0.88 0.00 0.00 14 D 8.75 4.95 0.00 2.69 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 15 D 8.81 4.53 0.00 2.79 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 16 D 7.79 4.60 0.00 2.76 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 17 D 8.56 4.40 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.94 3.84 1.91 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 1.53 0.81 1.00 0.00 0.00 19 V 7.74 3.62 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 0.95 0.00 0.00 0.98 0.00 0.00 20 N 8.24 4.36 0.00 2.99 2.89 0.00 0.00 6.69 7.63 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 21 F 8.90 4.24 0.00 3.02 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 22 L 8.38 3.64 0.00 1.94 1.62 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.62 4.31 0.00 2.70 2.82 0.00 0.00 6.71 7.06 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 24 T 7.92 3.88 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 25 T 7.59 3.69 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 1.04 0.00 0.00 26 I 7.31 3.42 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.93 0.00 0.00 27 I 7.96 3.90 1.96 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 1.54 0.87 0.96 0.00 0.00 28 R 8.28 3.84 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 29 M 8.48 3.96 0.00 1.91 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.49 0.00 30 T 7.97 4.13 4.50 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 1.46 0.00 0.00 31 H 8.12 4.17 0.00 3.25 3.37 0.00 5.88 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.66 4.41 0.00 1.97 1.40 0.00 3.03 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.38 0.00 33 V 7.39 4.69 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 0.84 0.00 0.00 0.74 0.00 0.00 34 E 10.39 4.18 0.00 2.10 1.96 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 2.45 2.36 0.00 35 E 8.13 4.73 0.00 1.96 1.69 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 0.00 2.17 2.26 0.00 36 I 8.40 4.83 1.85 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 1.32 0.77 0.89 0.00 0.00 37 Q 8.79 4.78 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 38 S 8.40 5.01 0.00 3.81 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 9.44 4.65 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 0.85 0.00 0.00 0.97 0.00 0.00 40 T 8.31 5.02 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 1.26 0.00 0.00 41 S 7.44 4.62 0.00 4.00 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 42 G 8.29 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 43 N 8.07 4.28 0.00 2.86 2.83 0.00 0.00 7.04 7.72 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 44 A 7.76 3.97 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 45 A 8.72 3.93 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 46 I 7.87 3.84 2.10 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 1.87 1.02 0.92 0.00 0.00 47 N 8.51 4.39 0.00 2.80 2.91 0.00 0.00 6.78 7.28 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 48 K 8.23 3.95 0.00 1.83 1.92 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.45 7.81 49 L 8.44 3.80 0.00 1.56 1.26 0.49 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.75 4.65 0.00 3.18 3.00 0.00 0.00 6.63 7.72 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 51 E 8.21 4.03 0.00 2.01 2.27 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 2.36 2.39 0.00 52 L 8.49 4.27 0.00 1.95 1.94 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *53 Y 8.38 4.09 0.00 2.36 2.22 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 54 A 7.75 4.42 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 55 A 7.47 4.80 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 56 G 8.87 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 0.00 0.00 0.00 57 R 7.86 3.93 0.00 1.98 1.97 0.00 3.25 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 58 W 8.48 5.14 0.00 3.10 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 59 P 0.00 4.22 0.00 2.13 1.82 0.00 2.34 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.35 0.00 60 S 8.98 4.36 0.00 4.02 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 61 I 8.08 5.11 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.96 0.00 0.00 62 I 8.92 4.97 1.91 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.56 0.90 0.00 0.00 63 C 8.77 5.95 0.00 2.82 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 64 I 7.90 4.90 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.72 0.00 0.00 65 D 8.81 4.73 0.00 2.69 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 66 I 8.70 3.66 1.85 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.16 0.98 0.00 0.00 67 N 8.12 4.82 0.00 2.71 2.78 0.00 0.00 6.68 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 68 M 8.14 4.80 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 69 P 0.00 4.25 0.00 2.03 1.99 0.00 3.68 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 2.02 2.08 0.00 70 G 8.61 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 0.00 0.00 0.00 71 I 8.40 4.45 1.91 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 1.09 1.01 0.94 0.00 0.00 72 N 8.71 4.89 0.00 3.25 3.05 0.00 0.00 6.13 6.93 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 73 G 8.24 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.72 4.38 0.00 3.52 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 75 E 9.09 4.06 0.00 2.10 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 2.36 2.49 0.00 76 L 8.00 3.78 0.00 1.63 1.50 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.71 3.04 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.08 0.94 0.00 0.00 78 D 8.26 4.53 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.63 4.25 0.00 1.95 1.78 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.36 4.50 0.00 2.40 1.52 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 81 K 7.93 4.37 0.00 1.82 1.97 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.84 1.39 7.81 82 Q 8.06 4.58 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 83 H 8.27 4.55 0.00 3.21 2.32 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.67 5.20 0.00 3.23 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 85 Q 8.80 4.44 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.65 0.00 0.00 0.00 0.00 0.00 2.96 2.72 0.00 86 P 0.00 4.07 0.00 1.95 2.02 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 87 M 8.11 4.08 0.00 0.80 1.62 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.98 0.00 88 K 7.78 2.00 0.00 1.19 1.45 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.71 0.21 7.81 89 N 7.68 4.69 0.00 2.75 2.73 0.00 0.00 5.90 7.13 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 90 K 7.64 4.28 0.00 1.58 1.65 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.44 7.81 91 S 7.83 5.10 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.05 4.76 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.01 0.96 0.00 0.00 93 V 9.52 4.90 2.49 0.00 0.00 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 1.37 0.00 0.00 94 C 9.43 5.32 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.81 5.12 0.00 1.86 1.61 0.72 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.44 5.15 0.00 1.51 1.39 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.50 4.68 0.00 3.90 3.45 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 98 S 9.11 4.01 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.75 4.66 0.00 3.82 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 0.00 100 L 8.36 4.46 0.00 1.62 1.60 0.53 1.11 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 0.00 101 D 9.72 5.02 0.00 2.94 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 0.00 102 P 0.00 4.23 0.00 2.17 2.16 0.00 3.64 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 2.13 2.22 0.00 103 R 8.17 3.81 0.00 2.19 1.89 0.00 3.15 0.00 0.00 3.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 104 D 8.20 4.36 0.00 2.94 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 7.77 3.39 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 106 A 8.00 3.96 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 0.00 107 K 7.91 3.70 0.00 1.04 1.10 0.00 1.16 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.33 7.81 108 A 7.99 4.47 1.52 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 0.00 0.00 109 E 8.05 4.11 0.00 2.09 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 2.38 2.44 0.00 110 A 8.22 3.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.77 4.19 0.00 4.02 4.20 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 0.00 112 D 8.83 4.75 0.00 2.76 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 0.00 113 W 8.40 4.42 0.00 3.48 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 0.00 114 V 7.83 4.50 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 1.07 0.00 0.00 1.13 0.00 0.00 115 D 8.81 4.83 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.62 4.72 0.00 2.99 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 0.00 117 Y 8.09 5.16 0.00 2.92 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 0.00 118 V 8.32 4.26 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 0.42 0.00 0.00 0.94 0.00 0.00 119 S 8.14 5.26 0.00 3.79 3.72 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 0.00 120 K 8.25 4.79 0.00 1.59 1.63 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.31 7.81 121 P 0.00 4.53 0.00 2.17 2.04 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 122 L 8.46 3.77 0.00 1.62 1.64 0.89 0.83 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 0.00 123 T 8.13 4.53 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 0.00 124 A 8.30 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.08 4.33 0.00 2.84 2.83 0.00 0.00 7.11 8.21 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 0.00 126 A 7.94 4.10 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 0.00 127 L 7.84 3.58 0.00 1.65 1.04 0.87 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.72 4.12 0.00 2.98 2.81 0.00 0.00 6.92 7.05 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 0.00 129 N 7.87 4.32 0.00 2.34 2.67 0.00 0.00 7.12 6.74 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 0.00 130 L 7.25 3.76 0.00 1.61 1.63 0.83 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.93 4.32 0.00 3.07 2.85 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 0.00 132 N 8.68 4.40 0.00 2.77 2.88 0.00 0.00 6.73 6.93 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 0.00 133 K 8.03 3.97 0.00 1.84 1.79 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 134 V 7.65 3.74 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 0.89 0.00 0.00 1.02 0.00 0.00 135 L 7.84 4.33 0.00 1.77 1.69 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.00 5.04 0.00 2.76 2.82 0.00 0.00 6.86 7.80 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 0.00 137 E 7.61 4.22 0.00 1.96 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 2.27 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.