NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4187 8.0333 117.3801 62.5524 70.1863 174.5797 3 P 4.2394 0.0000 0.0000 64.9829 31.1431 177.5782 4 A 3.9794 8.5863 119.9785 55.3815 18.7299 179.5431 5 I 3.4122 7.6170 117.8365 64.3056 37.1585 178.0723 6 D 4.3603 8.5410 120.3159 57.3046 40.6568 178.7431 7 L 3.8979 7.9468 120.5059 58.2433 42.1714 178.9601 8 L 3.9108 7.5988 118.7560 57.8307 41.0410 179.8087 9 K 4.1640 8.2978 118.5606 59.2258 31.7488 179.3789 10 K 3.9963 8.2495 119.6264 59.1423 32.2493 178.0077 11 Q 4.3114 8.0466 115.1520 54.7024 29.2079 175.5679 12 K 3.9108 7.5015 117.9806 57.4420 30.1388 175.4581 13 I 4.3066 7.6736 118.9312 59.2673 38.2895 174.6895 14 P 4.3963 0.0000 0.0000 62.9838 31.6935 175.4056 15 F 5.0077 7.9435 115.7920 56.2206 40.8063 173.0041 16 I 4.2611 8.7422 120.7654 59.3096 39.9331 174.5110 17 L 4.9622 8.4224 129.1444 54.5760 42.9522 175.1456 18 H 5.1801 9.4871 123.8537 54.3915 31.7624 173.4604 19 T 5.3073 8.6582 118.0236 62.0089 71.6602 172.8702 20 Y 4.9287 8.3505 122.0967 55.3401 42.0933 174.6080 21 D 4.6262 8.9143 121.8124 53.5606 40.2948 175.9794 22 H 4.3282 8.6295 120.3680 55.8597 28.6737 175.1903 23 D 4.5038 8.4617 123.9674 53.0725 39.8403 173.6501 24 P 4.4037 0.0000 0.0000 62.6829 30.1045 176.4855 *30 G 3.9309 8.1480 109.5141 43.8347 0.0000 170.5404 31 D 4.5555 7.1720 113.9479 51.8300 42.9499 175.8117 32 E 4.1433 8.0526 125.7914 58.7281 30.1333 177.5448 33 A 2.8824 7.7660 119.9748 54.8141 18.4090 179.3241 34 A 3.6713 8.3798 119.5534 55.0211 17.9000 179.8649 35 E 3.7717 7.8344 116.7296 59.6724 29.4667 179.8002 36 K 3.9737 7.9509 117.0278 58.5967 32.2279 178.0065 37 L 4.2175 7.7734 116.8226 53.6608 42.5447 176.1515 38 G 3.7728 7.1349 106.1308 46.5184 0.0000 173.8558 39 I 4.1200 7.4753 117.9969 58.7183 39.5781 176.2391 40 D 4.3173 8.4061 123.3018 54.0772 41.7846 175.2944 41 P 4.1348 0.0000 0.0000 65.9713 31.4042 177.7455 42 N 4.4601 9.1735 113.4021 54.4064 38.8327 175.6622 43 R 3.7623 7.8347 118.4741 56.4461 30.8189 174.9296 44 S 5.1784 7.8090 113.7969 57.5929 63.4602 172.6252 45 F 5.3230 9.5676 126.9936 55.6072 41.2841 175.4830 46 K 4.7189 9.2276 121.7640 55.7331 35.6651 175.0941 47 T 5.1842 8.4058 116.8923 61.9216 71.1513 173.4890 48 L 5.0162 9.3016 126.0923 52.8566 45.7601 175.4967 49 L 5.5380 8.6164 120.5037 53.0558 44.8893 176.1222 50 V 4.8243 9.0040 120.6907 59.9578 35.5805 173.9260 51 A 5.1003 9.1997 124.2625 50.1440 21.1475 176.4765 52 E 4.1806 9.2895 123.9111 57.5888 29.8086 176.9401 53 N 4.2841 10.2898 121.2673 54.1507 36.9097 175.0184 54 G 3.8006 8.0519 102.6017 46.5108 0.0000 174.0555 55 D 4.6175 7.9268 120.4947 52.5502 40.4583 177.1042 56 Q 4.1693 8.5627 125.8121 57.4885 28.8972 177.3428 57 K 4.3443 8.0512 116.4308 56.6717 32.7228 177.1349 58 K 4.5493 8.1513 119.8114 54.2824 32.8334 175.3525 59 L 5.7110 8.4336 122.9449 52.6884 44.1373 175.1278 60 A 4.7510 8.3368 120.5665 50.6142 23.3482 174.2982 61 C 5.2458 8.8615 119.8559 57.5914 34.5703 172.8475 62 F 5.1991 9.4505 124.0849 55.5991 42.8098 173.9470 63 V 5.1144 9.0089 123.3101 61.1223 33.9466 174.2125 64 L 5.2794 9.1986 127.0368 53.8365 44.3348 175.1936 65 A 3.6373 8.0252 121.9629 52.3065 18.7007 178.9840 66 T 3.6191 8.6228 111.5152 64.3485 68.8719 175.2200 67 A 4.3790 7.6894 122.0632 52.3919 19.9318 177.6980 68 N 4.6510 7.6791 120.1125 52.7779 38.1130 174.9153 *70 L 3.8943 8.2956 125.7936 55.8005 43.1318 175.7793 71 N 4.6303 8.9412 125.3578 52.5314 39.4738 175.6888 72 L 3.8629 8.4493 126.5084 57.6034 41.7449 179.5499 73 K 3.9478 7.9755 118.0985 59.3489 32.1182 179.2975 74 K 3.9394 8.6595 118.8350 59.4869 31.5214 179.2761 75 A 3.9283 8.2095 121.0516 54.9366 18.1558 179.5942 76 A 3.8298 8.2662 119.6841 55.1708 18.4510 179.6866 77 K 3.9261 8.2811 118.5208 59.6910 32.0394 179.0617 78 S 4.3796 8.2931 113.5169 60.1656 62.9770 175.2898 79 I 4.4951 7.1439 113.9658 59.6545 38.1381 175.3233 80 G 3.8411 7.9570 107.7061 47.2602 0.0000 174.0164 81 V 4.5131 7.5149 111.2004 58.6477 34.8050 176.5103 82 K 4.1392 8.6427 122.5163 59.1932 32.5028 177.0287 83 K 4.8220 8.2170 115.8519 54.9893 36.8557 175.7532 84 V 4.8541 8.2904 113.9479 61.0861 35.5044 176.0997 85 E 4.4483 8.8826 119.4345 56.8017 31.7578 177.9058 *87 A 4.3269 9.2372 124.5882 52.2799 20.5978 178.2290 88 D 4.4808 8.8506 122.1822 54.1166 42.7711 177.7423 89 K 3.8326 8.7562 124.3921 60.3073 32.1116 178.7225 90 D 4.3289 8.1064 117.9766 57.0492 40.8150 178.3245 91 A 3.9707 8.0432 120.6814 55.2247 18.4190 179.3840 92 A 3.9579 8.4951 119.5329 55.3485 18.4649 179.6258 93 Q 4.2256 8.1978 119.5138 58.8778 28.9155 178.7205 94 K 4.0697 8.0337 118.5709 59.2579 32.3683 179.1304 95 S 4.2074 8.0296 113.4276 61.2757 62.4104 175.8607 96 T 4.2965 8.1178 111.9219 61.5438 69.0335 176.5435 97 G 3.6569 8.4513 108.4471 45.2784 0.0000 172.2261 98 Y 4.9684 7.6840 116.7574 55.9510 41.0397 174.7085 99 L 4.5987 8.1296 120.6781 52.8246 43.5638 176.6685 100 V 3.7051 8.2247 121.2092 65.0054 31.6958 176.3172 101 G 4.0990 10.0849 115.1348 45.3370 0.0000 174.2496 102 G 4.1575 8.3506 105.5037 46.1258 0.0000 172.1831 103 I 4.1984 7.8921 121.7925 60.6477 37.4266 175.6024 104 S 4.6398 7.3696 122.4958 56.2939 63.0845 172.5986 105 P 4.3963 0.0000 0.0000 64.6159 31.4098 176.3114 106 L 4.5269 7.7376 119.3569 54.1136 43.3197 176.8484 107 G 4.3114 8.8164 108.4330 46.3388 0.0000 173.9059 108 Q 4.1238 7.4208 117.7548 55.7301 29.3327 177.0210 109 K 3.8813 8.2518 122.3717 59.1813 32.2350 177.4340 110 K 4.3945 8.0532 117.8282 54.3751 33.0469 176.4927 111 R 4.0635 8.4537 124.9389 56.1854 30.6341 175.6996 112 V 4.5684 7.8996 117.1893 58.6104 35.8964 175.1451 113 K 4.0458 8.3863 120.2454 57.9431 33.3327 175.8780 114 T 4.9359 8.2613 118.0551 61.7468 72.9439 172.8822 115 V 4.4525 8.0070 123.7687 61.2426 35.0753 174.0166 116 I 4.8915 8.5893 128.7210 59.2453 39.8182 174.7717 117 N 5.2975 9.3491 125.5597 53.3256 39.6429 175.8890 118 S 4.3556 9.3345 121.8079 62.3215 62.8898 177.0873 119 T 3.9821 8.0620 110.3045 63.9693 68.5462 176.0707 120 A 4.4265 8.6219 124.4891 55.4447 18.1367 178.8794 121 L 4.0713 7.9499 115.4456 56.0284 41.6507 177.4335 122 E 4.1886 7.8615 116.9572 55.9429 29.9338 176.0871 123 F 5.0691 7.4984 117.4319 55.7418 41.9782 175.3115 124 E 4.2030 8.9763 123.6025 59.3315 29.6737 176.8792 125 T 4.9290 7.6405 106.1166 60.1227 72.1155 172.9397 126 I 4.7962 8.9772 115.7829 59.4243 41.9680 173.3436 127 Y 5.1260 9.0132 119.5070 56.3703 40.6527 175.7314 128 V 5.0420 8.7834 116.6277 58.9428 36.2850 174.9966 129 S 4.3125 8.8789 116.9585 59.1873 62.5525 174.0891 130 G 3.8194 8.6476 112.8547 46.2096 0.0000 174.5165 131 G 3.8864 9.4399 108.6268 44.4548 0.0000 173.7836 132 K 4.5385 7.4052 117.0654 54.9788 35.2664 175.4334 133 R 4.0156 8.2568 119.6489 58.1657 30.5181 177.3929 134 G 2.8479 8.7254 110.2552 43.8116 0.0000 172.3583 135 L 5.2843 7.5950 119.6485 52.8297 45.1036 175.5087 136 S 5.1999 9.3350 117.8859 56.5775 66.0001 172.4559 137 V 4.7374 9.1073 127.5252 61.5154 33.2682 173.7800 138 E 4.5808 9.2118 129.8212 54.5720 31.4158 174.3790 139 I 4.9101 8.5870 126.2094 59.1965 42.3297 173.8995 140 A 4.5977 8.9808 131.0384 51.0556 19.1766 176.7664 141 P 4.3150 0.0000 0.0000 66.2808 31.3229 179.1367 142 Q 4.2806 8.1289 117.2506 58.5558 28.6356 178.3800 143 D 4.3211 8.0713 119.8107 57.0757 40.9246 177.8571 144 L 3.8663 7.9741 120.7430 58.5100 41.9136 179.1244 145 A 3.8390 8.1957 120.3291 54.7534 18.0154 179.5167 146 K 3.8460 8.2983 118.4151 59.6889 32.0898 179.1108 147 V 3.6543 7.6176 117.2293 65.5204 31.5331 177.0564 148 L 4.4797 7.5492 115.0996 53.4331 42.0956 176.7217 149 G 3.7802 7.4946 105.2966 46.4020 0.0000 173.8951 150 A 4.6277 7.8703 120.5693 50.4246 19.9142 177.7980 151 E 4.5234 8.3376 118.3188 54.8893 32.5859 175.0275 152 F 5.3075 8.5847 120.7769 56.6311 40.4787 175.5049 153 T 4.8158 8.7495 119.5137 61.7056 73.5637 172.8447 154 D 4.7693 8.9051 124.7312 54.3300 41.7976 175.5881 155 I 4.5885 8.5646 118.1865 60.3268 38.3877 174.9548 156 V 4.8093 7.5708 113.2111 59.6907 35.4904 177.2865 157 D 4.7047 8.7390 126.3896 56.0290 40.0073 176.7382 158 E 4.1101 8.0167 125.6362 56.9567 28.9347 176.0439 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.42 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 1.36 0.00 0.00 3 P 0.00 4.24 0.00 2.38 2.07 0.00 3.79 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 2.02 2.19 0.00 4 A 8.59 3.98 1.40 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 0.00 0.00 0.00 5 I 7.62 3.41 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.47 1.01 0.00 0.00 6 D 8.54 4.36 0.00 2.79 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 7 L 7.95 3.90 0.00 1.84 1.78 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.60 3.91 0.00 1.24 1.28 0.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.30 4.16 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.72 1.79 7.81 10 K 8.25 4.00 0.00 1.78 2.02 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 11 Q 8.05 4.31 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 12 K 7.50 3.91 0.00 1.94 1.92 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.22 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.55 7.81 13 I 7.67 4.31 1.91 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 1.35 0.77 0.94 0.00 0.00 14 P 0.00 4.40 0.00 2.06 2.00 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 15 F 7.94 5.01 0.00 3.10 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 16 I 8.74 4.26 1.81 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 0.65 0.69 0.00 0.00 17 L 8.42 4.96 0.00 1.87 1.62 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 H 9.49 5.18 0.00 3.46 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.66 5.31 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 20 Y 8.35 4.93 0.00 3.06 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 21 D 8.91 4.63 0.00 2.72 2.67 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 22 H 8.63 4.33 0.00 3.31 3.31 0.00 5.52 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.46 4.50 0.00 2.73 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 24 P 0.00 4.40 0.00 2.05 2.08 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 *30 G 8.15 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 31 D 7.17 4.56 0.00 2.56 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 32 E 8.05 4.14 0.00 2.09 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 0.00 2.40 2.27 0.00 33 A 7.77 2.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.38 3.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.77 0.00 2.10 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 2.26 2.32 0.00 36 K 7.95 3.97 0.00 1.25 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.47 7.81 37 L 7.77 4.22 0.00 1.46 1.53 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.13 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 0.00 0.00 0.00 39 I 7.48 4.12 1.50 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.22 0.41 0.00 0.00 40 D 8.41 4.32 0.00 2.65 2.46 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 41 P 0.00 4.13 0.00 2.15 2.03 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 42 N 9.17 4.46 0.00 2.92 3.05 0.00 0.00 6.96 5.53 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 43 R 7.83 3.76 0.00 1.62 1.79 0.00 2.99 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.50 0.00 44 S 7.81 5.18 0.00 3.81 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 45 F 9.57 5.32 0.00 2.92 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 46 K 9.23 4.72 0.00 1.79 1.92 0.00 1.26 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.43 7.81 47 T 8.41 5.18 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 1.25 0.00 0.00 48 L 9.30 5.02 0.00 1.64 1.58 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.62 5.54 0.00 1.52 1.59 0.99 0.88 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 50 V 9.00 4.82 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 0.93 0.00 0.00 0.90 0.00 0.00 51 A 9.20 5.10 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 52 E 9.29 4.18 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 2.39 2.42 0.00 53 N 10.29 4.28 0.00 2.79 2.87 0.00 0.00 7.10 7.67 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 54 G 8.05 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.93 4.62 0.00 2.72 2.69 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 0.00 0.00 0.00 56 Q 8.56 4.17 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 57 K 8.05 4.34 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.40 7.81 58 K 8.15 4.55 0.00 1.65 1.71 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.50 7.81 59 L 8.43 5.71 0.00 1.54 1.62 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.34 4.75 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 61 C 8.86 5.25 0.00 2.92 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 62 F 9.45 5.20 0.00 3.04 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 63 V 9.01 5.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.93 0.00 0.00 64 L 9.20 5.28 0.00 1.75 1.82 0.98 0.58 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 65 A 8.03 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.62 3.62 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 67 A 7.69 4.38 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.68 4.65 0.00 2.79 2.60 0.00 0.00 6.83 8.54 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 *70 L 8.30 3.89 0.00 1.56 1.55 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.94 4.63 0.00 2.78 2.74 0.00 0.00 6.83 6.53 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 72 L 8.45 3.86 0.00 1.67 1.63 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.98 3.95 0.00 1.90 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 74 K 8.66 3.94 0.00 1.90 2.04 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 75 A 8.21 3.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 3.83 1.38 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 77 K 8.28 3.93 0.00 1.97 1.99 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 78 S 8.29 4.38 0.00 4.20 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 0.00 79 I 7.14 4.50 1.91 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 1.91 0.84 0.93 0.00 0.00 80 G 7.96 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 81 V 7.51 4.51 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 0.79 0.00 0.00 1.06 0.00 0.00 82 K 8.64 4.14 0.00 1.72 2.04 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 83 K 8.22 4.82 0.00 1.73 1.61 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.41 7.81 84 V 8.29 4.85 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 0.77 0.00 0.00 0.84 0.00 0.00 85 E 8.88 4.45 0.00 1.87 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 2.27 2.27 0.00 *87 A 9.24 4.33 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 88 D 8.85 4.48 0.00 2.71 2.62 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 89 K 8.76 3.83 0.00 1.82 1.85 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.59 7.81 90 D 8.11 4.33 0.00 2.73 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 91 A 8.04 3.97 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 92 A 8.50 3.96 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 93 Q 8.20 4.23 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 94 K 8.03 4.07 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.58 7.81 95 S 8.03 4.21 0.00 3.96 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 96 T 8.12 4.30 4.37 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 1.34 0.00 0.00 97 G 8.45 3.66 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 0.00 98 Y 7.68 4.97 0.00 3.06 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 99 L 8.13 4.60 0.00 1.74 1.60 0.94 0.76 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 0.00 100 V 8.22 3.71 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 0.79 0.00 0.00 0.96 0.00 0.00 101 G 10.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.35 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.89 4.20 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 1.01 0.00 0.00 104 S 7.37 4.64 0.00 3.43 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 0.00 105 P 0.00 4.40 0.00 2.18 2.16 0.00 3.74 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 1.94 1.97 0.00 106 L 7.74 4.53 0.00 1.71 1.56 0.80 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.82 4.31 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 0.00 108 Q 7.42 4.12 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.83 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 109 K 8.25 3.88 0.00 1.90 1.81 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 110 K 8.05 4.39 0.00 1.80 1.72 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.33 7.81 111 R 8.45 4.06 0.00 1.74 1.81 0.00 3.15 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 112 V 7.90 4.57 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 0.87 0.00 0.00 0.90 0.00 0.00 113 K 8.39 4.05 0.00 1.73 1.89 0.00 1.42 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.37 7.81 114 T 8.26 4.94 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 1.11 0.00 0.00 115 V 8.01 4.45 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 1.17 0.00 0.00 0.77 0.00 0.00 116 I 8.59 4.89 1.43 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 0.97 0.55 1.00 0.00 0.00 117 N 9.35 5.30 0.00 2.94 2.99 0.00 0.00 7.06 7.18 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 0.00 118 S 9.33 4.36 0.00 4.00 3.99 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 0.00 119 T 8.06 3.98 4.39 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 1.32 0.00 0.00 120 A 8.62 4.43 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 0.00 121 L 7.95 4.07 0.00 1.62 1.53 -0.29 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.86 4.19 0.00 1.68 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 123 F 7.50 5.07 0.00 3.23 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 0.00 124 E 8.98 4.20 0.00 2.06 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 0.00 2.46 2.29 0.00 125 T 7.64 4.93 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 1.19 0.00 0.00 126 I 8.98 4.80 1.64 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 0.85 0.00 0.00 127 Y 9.01 5.13 0.00 2.95 2.92 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 0.00 128 V 8.78 5.04 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 0.66 0.00 0.00 0.91 0.00 0.00 129 S 8.88 4.31 0.00 3.85 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 0.00 130 G 8.65 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 0.00 131 G 9.44 3.89 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 0.00 0.00 0.00 132 K 7.41 4.54 0.00 1.85 1.86 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.36 7.81 133 R 8.26 4.02 0.00 1.57 1.76 0.00 3.14 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 134 G 8.73 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 0.00 0.00 0.00 135 L 7.59 5.28 0.00 1.58 1.55 0.91 0.44 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 0.00 136 S 9.33 5.20 0.00 4.12 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.11 4.74 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 0.92 0.00 0.00 0.88 0.00 0.00 138 E 9.21 4.58 0.00 1.44 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 1.95 1.47 0.00 139 I 8.59 4.91 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 1.16 0.86 0.91 0.00 0.00 140 A 8.98 4.60 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 0.00 141 P 0.00 4.31 0.00 2.38 2.35 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.37 0.00 142 Q 8.13 4.28 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 143 D 8.07 4.32 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 3.87 0.00 1.72 1.85 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.20 3.84 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 0.00 146 K 8.30 3.85 0.00 1.94 1.94 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 147 V 7.62 3.65 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 0.85 0.00 0.00 0.94 0.00 0.00 148 L 7.55 4.48 0.00 1.52 1.60 0.90 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.49 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 0.00 150 A 7.87 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.34 4.52 0.00 1.85 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 2.30 2.26 0.00 152 F 8.58 5.31 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.75 4.82 4.35 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 1.29 0.00 0.00 154 D 8.91 4.77 0.00 2.72 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 0.00 155 I 8.56 4.59 1.88 0.00 0.00 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 1.56 1.15 1.18 0.00 0.00 156 V 7.57 4.81 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 0.77 0.00 0.00 1.02 0.00 0.00 157 D 8.74 4.70 0.00 2.65 2.41 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 0.00 158 E 8.02 4.11 0.00 2.01 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 2.27 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.