NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1720 8.5298 119.6751 55.5898 33.3101 174.5712 2 N 4.5029 7.2422 120.7382 49.8588 41.4172 173.6144 3 I 3.6028 9.1499 120.4046 64.2076 38.1653 178.8304 4 F 3.8317 8.1204 118.0931 60.6034 38.7507 177.3850 5 E 3.9918 8.6138 118.2210 59.3107 29.1589 179.1622 6 M 3.6204 7.8252 118.2661 58.6786 32.3779 178.4331 7 L 3.9583 8.0006 119.1745 57.5758 41.6861 179.4680 8 R 3.7658 8.3362 119.0153 59.2881 29.7338 178.7535 9 I 3.7333 7.5743 118.8134 64.6320 37.2776 177.9467 10 D 4.5684 8.2212 118.3544 56.7563 40.7344 177.8114 11 E 4.4787 8.7088 117.8545 55.9378 30.7026 177.2199 12 G 3.7755 8.5681 108.1584 44.4618 0.0000 171.6946 13 L 4.8702 8.0032 119.6157 53.5448 44.4667 175.6432 14 R 4.6458 8.8275 124.7535 54.5898 33.8447 175.9191 15 L 4.5261 8.7467 121.8314 54.8625 42.9861 175.7906 16 K 5.1385 7.8195 119.7300 53.9636 35.2918 175.5756 17 I 4.2241 8.2482 126.5320 62.6152 37.7971 174.8033 18 Y 5.0667 9.1085 123.6858 55.7768 42.2693 173.4930 19 K 4.8566 8.6966 119.1170 54.9488 33.8285 177.5623 20 D 4.8545 8.6752 125.4682 52.8749 41.1645 176.7073 21 T 3.9243 8.5386 107.9260 64.6759 68.7639 174.5831 22 E 4.0162 8.5841 120.1723 56.0542 29.7889 176.8622 23 G 3.7085 7.9238 107.6707 45.0436 0.0000 172.8611 24 Y 4.6975 7.3150 117.3213 56.5687 39.9547 174.6519 25 Y 4.6847 8.2676 121.1040 59.0570 39.1645 175.5105 26 T 5.1009 9.0380 119.5622 62.6660 74.0311 172.1396 27 I 4.7267 8.8463 121.5801 60.0263 42.2914 176.6608 28 G 3.8869 9.4434 115.6021 47.3516 0.0000 176.7230 29 I 5.0569 7.8124 118.9562 59.1275 35.5473 174.8109 30 G 4.0428 8.4251 108.9058 46.4765 0.0000 171.1305 31 H 4.4026 8.2383 120.9752 54.2459 28.9138 174.1733 32 L 4.2662 8.0475 129.4502 55.1048 42.5877 176.4888 33 L 4.2695 8.5855 126.6386 56.7500 42.3718 176.7844 34 T 4.1604 7.1996 107.9627 61.6595 69.6376 172.6622 35 K 3.6206 8.2935 123.8486 56.1019 32.6498 177.3548 36 S 4.2759 7.8127 114.7005 57.7977 62.7091 172.4776 37 P 4.4710 0.0000 0.0000 64.1546 31.8029 176.8899 38 S 4.4818 8.0910 114.5670 57.3114 63.2208 174.2646 39 L 3.1111 8.5227 131.0132 58.0309 41.9338 178.5408 40 N 4.3036 8.0557 115.8907 56.0294 38.5118 177.0703 41 A 3.9661 7.8926 122.0586 55.0515 18.4586 179.5412 42 A 3.9440 7.8077 119.3425 55.2628 18.3278 180.0736 43 K 3.8889 8.3402 117.4769 59.4171 32.0602 179.6187 44 S 4.0633 8.1185 113.5682 61.3948 62.2918 176.0082 45 E 3.9685 8.2329 121.3174 59.2116 29.0964 179.1552 46 L 3.9367 8.0705 120.3157 58.3490 42.2288 178.6370 47 D 4.6923 8.3240 120.5380 56.7796 40.5271 178.8926 48 K 3.9848 8.0120 118.7761 59.3789 32.2645 178.4757 49 A 4.1272 7.9550 120.3736 55.0758 18.3915 179.1693 50 I 4.0488 7.9614 117.3480 61.6896 37.4612 177.1302 51 G 3.9097 10.2089 107.4205 45.1394 0.0000 172.7840 52 R 4.3973 7.3829 113.6487 54.6824 31.8098 173.6884 53 N 4.7560 8.5658 117.9262 53.3256 37.9641 174.1421 54 T 4.1131 9.2664 117.6176 61.4538 70.3592 174.7080 55 N 4.2170 9.1314 118.6811 54.5170 37.1320 174.4845 56 G 3.9575 8.0403 104.4992 45.6004 0.0000 172.3495 57 V 5.0984 7.3512 118.9516 60.9162 34.1745 174.4599 58 I 4.9183 8.8285 120.6922 59.2778 41.1454 174.5131 59 T 4.3887 8.7601 112.9031 60.3457 70.6663 176.1181 60 K 3.9387 8.6308 122.0899 59.6995 32.1798 178.3416 61 D 4.3725 8.0709 118.7365 57.4888 40.8204 178.5131 62 E 4.0024 8.2659 118.8178 59.2875 29.4736 179.2200 63 A 4.0790 8.2923 121.0167 55.3529 18.4381 179.6097 64 E 4.2196 8.6189 117.2266 59.1056 29.4648 179.5661 65 K 4.0041 8.1636 120.0673 59.5541 32.2716 178.9242 66 L 4.0586 8.1162 119.3249 57.6198 41.3862 179.2771 67 F 4.7316 8.5751 120.6956 61.5931 39.4117 176.8415 68 N 4.5399 8.5807 116.1339 56.6525 38.3656 177.4012 69 Q 4.0680 8.2207 119.2969 59.1706 28.8313 178.6878 70 D 4.4289 8.7151 120.3796 57.2385 40.8420 179.0696 71 V 3.6356 8.2129 119.1635 65.8726 31.3930 177.4792 72 D 4.3001 8.2191 117.5864 57.5096 41.0356 178.1854 73 A 3.9427 8.5016 121.3195 55.0139 18.3111 179.5331 74 A 3.8827 8.0222 119.4166 55.2047 18.5019 180.0660 75 V 3.3243 7.8495 116.7830 66.2681 31.7617 178.5989 76 R 4.0201 8.3428 118.1934 58.9627 29.5928 179.3072 77 G 3.5773 8.0226 105.2549 47.6293 0.0000 175.6603 78 I 3.8029 7.6634 122.0848 64.2461 36.9523 178.5847 79 L 4.0543 7.6562 117.8927 56.9143 41.5021 178.7435 80 R 4.4013 7.6050 115.8150 55.2828 30.6696 175.5036 81 N 4.6432 7.4262 118.7200 51.9444 39.4536 175.5548 82 A 4.0160 8.6130 128.0896 54.6980 18.4988 178.8305 83 K 4.1463 8.4378 117.0162 59.1927 32.6365 178.9421 84 L 4.2214 7.9907 118.6531 57.0300 41.7972 178.7539 85 K 3.8595 8.2270 120.0037 59.4620 31.8566 176.8679 86 P 4.3749 0.0000 0.0000 65.5084 31.6167 178.5613 87 V 3.7657 7.7472 116.5889 66.0872 31.6206 177.1645 88 Y 4.1159 8.3195 119.4939 61.1015 38.4503 177.9542 89 D 4.4751 8.5982 118.8619 57.2294 40.9696 178.5067 90 S 4.3416 7.7786 112.8273 59.2683 63.5556 174.4548 91 L 4.5118 6.8622 122.5639 53.6309 42.8533 176.5602 92 D 4.6046 8.2072 120.8034 52.6281 41.7617 177.1754 93 A 3.8867 8.3269 121.1842 55.2251 18.0962 180.1539 94 V 3.0263 7.5011 116.1695 66.1218 31.6955 178.4756 95 R 3.5654 8.0437 117.6718 58.9041 29.7114 179.2350 96 R 3.8470 7.9237 117.9886 59.0825 29.8847 178.8660 97 A 3.9840 7.7508 120.1766 55.0203 18.3514 179.5259 98 A 3.6762 7.2879 119.2315 54.9935 18.2245 179.6777 99 L 4.1864 7.8200 118.9001 58.4188 42.2172 179.2208 100 I 3.7488 8.1194 120.0404 64.2144 37.0237 177.7714 101 N 4.2679 8.5050 118.2982 57.1117 38.7245 176.7350 102 M 3.9026 7.9968 119.9102 58.4539 32.0124 179.0094 103 V 3.5096 7.9078 118.3175 65.7682 31.4332 177.8084 104 F 4.0343 8.5080 120.1396 61.3489 39.3233 176.6511 105 Q 4.3434 8.3579 118.3310 58.5012 29.1006 176.8228 106 M 4.6473 8.2717 114.4158 53.5800 32.4239 176.7823 107 G 4.0256 8.0429 105.0097 46.0557 0.0000 173.5119 108 E 4.2461 8.4371 117.4819 58.5017 30.3223 177.6290 109 T 3.9806 7.6412 114.4034 64.5131 69.0152 175.0226 110 G 3.8347 8.9506 113.6509 45.4820 0.0000 172.8913 111 V 4.0283 7.5449 119.2088 61.2514 32.0572 175.0498 112 A 4.4195 8.6126 130.5950 52.1102 19.9171 178.3767 113 G 3.6009 8.6094 109.7464 45.7120 0.0000 174.4809 114 F 4.1271 8.3958 117.8275 58.0513 36.6566 176.9213 115 T 4.0005 7.4718 118.1217 66.8497 68.6431 175.6300 116 N 4.4897 8.1983 118.3610 56.4927 38.9869 177.8944 117 S 4.2710 7.7380 110.0749 59.3901 62.6522 175.9726 *119 R 4.2304 8.0829 123.0375 56.7045 31.6529 177.5480 120 M 4.0724 8.0714 117.2907 58.1398 32.4942 178.7580 121 L 4.0066 8.1079 119.0665 57.7029 41.9510 179.2309 122 Q 3.9854 7.9458 118.1918 58.8126 29.1162 176.6425 123 Q 4.0423 7.5996 114.5485 55.5852 29.0935 175.6524 124 K 2.0000 7.0633 116.3559 57.2461 30.1896 177.6720 125 R 4.1170 6.9368 117.7992 53.8837 27.3222 175.9244 126 W 4.7201 7.2902 123.0818 60.1864 29.6621 177.6243 127 D 4.4610 8.2103 117.9959 57.5095 40.3951 178.5869 128 E 3.9935 8.1838 118.4469 59.1725 29.4417 179.0827 129 A 3.9916 8.5622 121.1557 55.0666 18.2552 179.4192 130 A 4.0621 8.0389 118.2092 55.4586 18.3903 179.7639 131 V 3.6408 7.8204 116.6536 66.1241 31.6661 177.8072 132 N 4.3265 8.3148 116.8500 56.6981 38.5832 176.8931 133 L 4.4072 8.2922 119.6631 57.6226 41.8245 178.7971 134 A 3.8702 7.6041 118.7331 52.9725 19.6765 178.2214 135 K 4.2962 7.4661 119.2340 54.3711 30.9655 176.5840 136 S 4.6947 7.3582 114.9959 55.8005 67.7324 175.0973 137 R 3.9776 8.7150 122.9092 59.2876 29.8833 178.2905 138 W 4.5338 8.6470 127.8220 61.0736 30.1142 177.1134 139 Y 3.4436 8.4333 118.9857 60.6686 38.0427 177.7562 140 N 4.4105 8.2448 116.2187 56.4667 38.7118 177.1378 141 Q 4.2622 8.4564 119.2704 57.4968 30.4127 176.6645 142 T 4.5338 7.6406 109.5254 58.2799 68.5911 172.4479 143 P 3.4318 0.0000 0.0000 65.8327 31.8566 178.4968 144 N 4.1504 7.7536 115.7610 55.9276 38.5268 177.2578 145 R 3.8210 7.7256 119.3625 59.3661 30.3137 178.1370 146 A 3.4068 7.8074 120.8933 54.8552 18.0796 179.7081 147 K 3.9921 8.0757 117.2415 59.6728 32.1035 179.8028 148 R 3.8095 7.7979 117.9459 59.2378 29.9601 179.3275 149 V 3.7833 8.1428 118.1132 66.1507 31.6144 178.1741 150 I 4.1880 8.7704 119.9880 64.8925 36.9474 178.5534 151 T 4.1066 8.5334 117.0363 66.9036 68.1123 176.8826 152 T 3.9046 7.9450 117.8491 66.5511 68.2032 176.8830 153 F 4.1466 7.8397 118.8854 60.4510 39.0303 177.4695 154 R 4.1895 8.6148 118.1964 59.1071 30.0262 177.8082 155 T 4.2757 7.9411 107.6565 60.7697 69.7466 175.6120 156 G 3.4823 7.7904 108.8683 45.8893 0.0000 172.7458 157 T 4.4354 7.3169 108.2596 59.3894 71.6901 173.4317 158 W 4.9775 8.3758 118.5320 56.7873 29.1057 178.1048 159 D 4.4089 8.1141 121.7806 57.6859 40.3165 178.8671 160 A 4.1447 8.1236 119.5870 53.9756 18.5829 177.1711 161 Y 4.5144 8.2507 111.9035 57.4886 39.1301 175.9435 162 K 4.2764 7.8081 119.8744 56.5578 33.0922 177.2571 163 N 4.4776 8.9211 119.8235 53.6617 37.8908 173.6639 164 L 4.2663 7.4050 122.2710 55.8032 42.1393 175.6377 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 M 8.53 4.17 0.00 0.51 1.35 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.19 0.00 2 N 7.24 4.50 0.00 3.08 2.80 0.00 0.00 5.76 6.95 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 3 I 9.15 3.60 1.83 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 1.41 1.00 0.63 0.00 0.00 4 F 8.12 3.83 0.00 3.29 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.61 3.99 0.00 1.79 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 2.30 2.44 0.00 6 M 7.83 3.62 0.00 2.02 1.67 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 1.24 2.19 0.00 7 L 8.00 3.96 0.00 1.86 1.49 0.21 0.42 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 8 R 8.34 3.77 0.00 2.04 2.18 0.00 3.00 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 9 I 7.57 3.73 2.24 0.00 0.00 1.00 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 0.79 1.05 0.00 0.00 10 D 8.22 4.57 0.00 2.74 2.84 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 11 E 8.71 4.48 0.00 1.87 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 2.37 2.45 0.00 12 G 8.57 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 13 L 8.00 4.87 0.00 1.46 1.46 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.83 4.65 0.00 1.46 1.58 0.00 2.68 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.24 0.00 15 L 8.75 4.53 0.00 1.61 1.91 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.82 5.14 0.00 1.74 1.69 0.00 2.04 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.56 7.81 17 I 8.25 4.22 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.94 0.00 0.00 18 Y 9.11 5.07 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.70 4.86 0.00 1.66 1.66 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.28 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.90 1.37 7.81 20 D 8.68 4.85 0.00 2.90 2.79 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 0.00 0.00 0.00 21 T 8.54 3.92 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 1.26 0.00 0.00 22 E 8.58 4.02 0.00 1.51 1.26 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 2.26 2.42 0.00 23 G 7.92 3.71 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 0.00 0.00 0.00 24 Y 7.31 4.70 0.00 3.18 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 25 Y 8.27 4.68 0.00 3.04 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 26 T 9.04 5.10 3.23 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 1.15 0.00 0.00 27 I 8.85 4.73 1.94 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 1.27 1.40 1.00 0.00 0.00 28 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 29 I 7.81 5.06 1.25 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.58 -0.06 0.00 0.00 30 G 8.43 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.24 4.40 0.00 3.37 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.05 4.27 0.00 1.56 1.42 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.59 4.27 0.00 1.84 1.71 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.20 4.16 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 1.31 0.00 0.00 35 K 8.29 3.62 0.00 1.45 1.19 0.00 1.54 0.00 0.00 1.19 0.00 0.00 2.53 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.91 7.81 36 S 7.81 4.28 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.47 0.00 2.15 2.14 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 38 S 8.09 4.48 0.00 3.96 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 39 L 8.52 3.11 0.00 1.56 1.52 0.38 0.60 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 40 N 8.06 4.30 0.00 2.74 2.82 0.00 0.00 7.04 7.31 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 41 A 7.89 3.97 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 A 7.81 3.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.34 3.89 0.00 1.85 1.82 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.44 7.81 44 S 8.12 4.06 0.00 3.88 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 45 E 8.23 3.97 0.00 2.20 1.99 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 2.52 2.59 0.00 46 L 8.07 3.94 0.00 1.84 1.84 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.32 4.69 0.00 2.83 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 48 K 8.01 3.98 0.00 1.80 2.09 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 7.96 4.13 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 50 I 7.96 4.05 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 1.63 0.88 0.92 0.00 0.00 51 G 10.21 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.38 4.40 0.00 1.96 2.00 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 53 N 8.57 4.76 0.00 2.70 2.81 0.00 0.00 6.95 7.70 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 54 T 9.27 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 1.31 0.00 0.00 55 N 9.13 4.22 0.00 2.81 2.86 0.00 0.00 7.00 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 56 G 8.04 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 0.00 0.00 0.00 57 V 7.35 5.10 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 0.89 0.00 0.00 0.95 0.00 0.00 58 I 8.83 4.92 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.93 0.00 0.00 59 T 8.76 4.39 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 1.22 0.00 0.00 60 K 8.63 3.94 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.07 4.37 0.00 2.77 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 62 E 8.27 4.00 0.00 2.28 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 2.34 0.00 63 A 8.29 4.08 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 64 E 8.62 4.22 0.00 2.22 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 0.00 2.45 2.53 0.00 65 K 8.16 4.00 0.00 1.96 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 66 L 8.12 4.06 0.00 1.94 1.64 0.85 0.67 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 67 F 8.58 4.73 0.00 3.21 3.42 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 68 N 8.58 4.54 0.00 3.05 2.92 0.00 0.00 7.09 7.24 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 69 Q 8.22 4.07 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 70 D 8.72 4.43 0.00 3.19 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 71 V 8.21 3.64 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.04 0.00 0.00 72 D 8.22 4.30 0.00 3.00 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 73 A 8.50 3.94 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 74 A 8.02 3.88 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 75 V 7.85 3.32 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 0.89 0.00 0.00 0.94 0.00 0.00 76 R 8.34 4.02 0.00 1.81 1.93 0.00 3.30 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 1.83 1.77 0.00 77 G 8.02 3.58 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 0.00 0.00 0.00 78 I 7.66 3.80 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.92 0.54 0.00 0.00 79 L 7.66 4.05 0.00 1.55 1.69 0.87 0.64 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 80 R 7.61 4.40 0.00 1.78 1.94 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 81 N 7.43 4.64 0.00 2.86 2.79 0.00 0.00 6.96 7.76 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 82 A 8.61 4.02 1.31 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 83 K 8.44 4.15 0.00 1.96 1.88 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 84 L 7.99 4.22 0.00 1.81 1.71 0.89 1.00 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 85 K 8.23 3.86 0.00 1.91 1.85 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.55 7.81 86 P 0.00 4.37 0.00 2.08 2.13 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 87 V 7.75 3.77 2.28 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 1.09 0.00 0.00 0.96 0.00 0.00 88 Y 8.32 4.12 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.60 4.48 0.00 2.90 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 90 S 7.78 4.34 0.00 4.09 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 91 L 6.86 4.51 0.00 1.66 1.59 1.13 1.39 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 92 D 8.21 4.60 0.00 2.85 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 93 A 8.33 3.89 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 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0.00 0.00 0.00 0.00 128 E 8.18 3.99 0.00 2.10 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 2.39 2.36 0.00 129 A 8.56 3.99 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 0.00 130 A 8.04 4.06 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 0.00 131 V 7.82 3.64 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 0.96 0.00 0.00 1.00 0.00 0.00 132 N 8.31 4.33 0.00 2.91 2.96 0.00 0.00 7.25 5.96 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 0.00 133 L 8.29 4.41 0.00 2.03 2.25 0.93 0.93 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 0.00 134 A 7.60 3.87 0.58 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 0.00 0.00 135 K 7.47 4.30 0.00 1.86 1.75 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.47 7.81 136 S 7.36 4.69 0.00 4.28 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 0.00 137 R 8.72 3.98 0.00 1.98 2.12 0.00 3.27 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 138 W 8.65 4.53 0.00 3.62 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.43 3.44 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.24 4.41 0.00 2.93 2.91 0.00 0.00 7.13 6.97 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 0.00 141 Q 8.46 4.26 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.20 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 142 T 7.64 4.53 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 143 P 0.00 3.43 0.00 1.85 1.81 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 144 N 7.75 4.15 0.00 2.68 2.80 0.00 0.00 6.78 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 0.00 145 R 7.73 3.82 0.00 1.87 1.88 0.00 3.34 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 146 A 7.81 3.41 0.10 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 0.00 147 K 8.08 3.99 0.00 1.93 1.86 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.61 1.52 7.81 148 R 7.80 3.81 0.00 1.94 1.42 0.00 2.21 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.62 0.00 149 V 8.14 3.78 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 1.33 0.00 0.00 1.33 0.00 0.00 150 I 8.77 4.19 2.11 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.91 1.08 0.00 0.00 151 T 8.53 4.11 4.45 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 1.22 0.00 0.00 152 T 7.95 3.90 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 0.67 0.00 0.00 153 F 7.84 4.15 0.00 3.35 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 8.61 4.19 0.00 1.93 2.14 0.00 3.31 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 155 T 7.94 4.28 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 156 G 7.79 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.32 4.44 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 1.18 0.00 0.00 158 W 8.38 4.98 0.00 3.46 3.19 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 0.00 159 D 8.11 4.41 0.00 2.79 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 0.00 160 A 8.12 4.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.25 4.51 0.00 3.22 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 0.00 162 K 7.81 4.28 0.00 1.94 1.76 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.59 7.81 163 N 8.92 4.48 0.00 2.87 2.96 0.00 0.00 6.88 7.78 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 0.00 164 L 7.41 4.27 0.00 1.64 1.49 0.88 0.78 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 * Residues marked with a * may have inaccurate shift predictions.