NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4085 0.0000 0.0000 62.8188 32.7820 175.9787 4 I 3.9283 8.4878 122.7029 62.6600 37.8841 171.2604 5 V 4.4825 7.4282 110.9987 58.2918 36.0487 175.0405 6 D 4.3453 8.7260 120.9457 55.0316 42.3855 178.3461 7 S 4.2262 8.7918 121.1729 61.4965 63.0035 176.9209 8 R 4.0100 8.0864 121.6168 59.0206 29.7218 178.9341 9 I 3.8938 7.9143 119.4467 64.3565 37.2274 178.4984 10 G 3.6178 8.1626 106.3982 47.7497 0.0000 175.6129 11 A 4.0389 8.1066 123.1837 54.9810 18.2587 179.1551 12 Y 4.0328 8.0745 118.0496 60.9531 38.7237 178.2282 13 L 3.8201 7.9767 118.7302 57.8167 42.0865 178.9846 14 D 4.5544 8.2267 119.1710 57.1692 40.5079 179.0114 15 G 3.5943 7.7369 105.5637 47.4571 0.0000 175.2579 16 L 4.0646 7.2528 119.2451 55.2742 42.0917 177.6059 17 L 4.0431 6.8461 119.1923 54.0680 42.0628 175.3748 18 P 4.5911 0.0000 0.0000 61.3923 32.8347 175.2988 19 E 3.9799 8.4239 118.6965 56.0062 29.9743 176.2879 20 A 4.2548 8.2315 127.6478 51.6386 19.4671 177.2531 21 D 4.4974 8.4445 119.5943 53.3252 42.8216 175.8712 22 P 4.3226 0.0000 0.0000 65.6449 31.0524 178.9507 23 V 3.2494 8.4154 118.3041 65.7183 31.3886 177.8521 24 V 3.4100 7.2080 116.2760 65.7231 31.2880 177.3614 25 A 4.3254 8.3206 120.7995 54.9403 18.1386 180.0033 26 A 3.9340 7.9540 117.0664 52.8647 18.1810 179.1199 *28 E 4.2369 8.3701 124.5084 58.4576 31.9631 179.1152 29 Q 4.0623 7.6237 119.6806 59.9939 28.1942 183.2095 30 I 3.9206 7.5958 121.3371 63.9710 37.0872 178.5262 31 A 4.0041 7.9750 123.7488 55.7214 18.4873 180.2473 *32 R 3.9150 7.7291 119.5454 61.5516 29.2311 180.6556 33 E 4.3058 8.0243 117.3589 59.0081 30.0703 178.5467 34 R 4.1089 8.1601 116.1935 55.1438 31.1259 175.5421 35 N 4.1206 7.3336 115.7764 54.5669 37.8147 173.9781 36 I 4.3900 7.9337 117.8059 58.9712 39.0425 174.7616 37 P 4.5048 0.0000 0.0000 62.2553 31.9216 175.5581 38 I 4.7645 7.8577 114.2865 58.4348 40.8604 175.0535 39 V 3.6741 8.4221 121.1756 62.8951 31.8396 176.1959 40 D 4.6503 8.5163 126.9200 53.0747 41.4561 177.3103 41 R 3.8652 8.4201 119.5812 59.6735 30.1953 178.5609 42 Q 3.8972 7.9814 117.4562 59.0787 28.6846 178.7362 43 T 3.8743 8.3829 117.1577 66.4152 68.4854 177.0343 44 G 2.0000 7.5630 107.6084 47.2175 0.0000 175.8092 45 R 3.6384 7.0180 120.5369 58.7391 29.9492 178.9187 46 L 3.9484 7.5797 119.7598 58.0228 42.0939 178.9206 47 L 3.9547 7.7460 119.0561 57.9033 41.4475 178.8565 48 Y 4.0446 8.0385 119.3455 60.5558 38.8122 177.7374 49 L 3.9610 8.1331 121.1222 58.2880 42.1592 178.8018 50 L 4.0023 8.1897 118.6933 57.9912 41.6459 179.5511 51 A 4.0896 8.1751 120.4870 55.1902 18.0723 179.9237 52 R 3.7450 7.7481 115.9095 59.2888 30.1480 179.1141 53 I 3.8439 7.5815 118.6424 64.3474 37.2483 178.2320 54 K 4.0150 8.3450 119.4940 57.1423 33.1186 176.5784 55 Q 3.3805 8.0194 117.0802 56.2145 26.5378 171.9060 56 P 4.5029 0.0000 0.0000 62.9907 32.9624 176.5940 57 Q 4.5308 9.2010 118.5252 56.3316 30.7901 175.5506 58 L 5.1118 7.9466 120.5925 53.1818 45.6729 175.2083 59 V 4.6648 8.8042 126.3141 60.9499 34.4413 174.0766 60 V 4.7091 8.7094 127.8535 61.1921 34.0958 174.3708 61 V 4.8376 8.9974 128.6563 60.5312 32.4218 172.4158 62 P 4.5386 0.0000 0.0000 63.8657 31.4142 175.5568 63 G 3.9207 11.1881 114.8585 46.5704 0.0000 171.5049 64 D 4.3728 9.5821 125.1786 53.0623 42.6020 174.2807 65 G 3.8337 8.7948 116.6398 46.7477 0.0000 171.8438 66 L 3.3627 9.6868 123.9775 54.9995 40.1715 175.2144 67 G 3.9837 8.2951 105.9849 47.1069 0.0000 176.0827 68 C 4.1127 8.3111 120.7803 62.3789 31.5648 175.3396 69 A 3.9729 8.6793 122.4647 55.2820 17.8421 179.7511 70 S 4.3250 8.9049 114.1094 61.3889 62.8410 176.8011 71 W 4.0478 8.3811 131.1877 60.3113 30.2712 178.1557 72 W 4.1040 7.6783 117.2912 59.7433 28.7457 178.3142 73 F 4.6256 8.3263 117.6246 60.5139 38.2562 177.6481 74 A 3.9982 8.5355 120.9127 55.2658 17.9523 179.9071 75 R 3.6740 7.5269 115.1364 58.4842 30.1270 177.5745 76 A 4.2657 7.7919 119.6640 51.8817 19.6103 176.6085 77 I 4.5307 7.2851 108.7454 58.6450 40.4451 175.5172 78 S 4.5804 8.0424 116.2561 56.7808 64.8924 174.4842 79 I 3.7949 8.1032 119.4611 63.1916 37.6830 176.5434 80 S 4.3171 7.8405 113.1839 59.8293 63.3596 173.3854 81 S 5.0342 7.9385 117.4215 57.0182 66.5746 172.8194 82 R 5.0036 8.7583 117.9503 54.9809 34.8838 174.6421 83 V 4.6542 8.7417 122.5248 61.2923 33.9002 175.0084 84 V 4.9782 8.7567 127.1837 60.3046 35.1410 174.0341 *86 I 4.5601 7.9625 122.4643 61.3451 38.7617 174.4992 87 D 5.1723 8.7743 125.0678 52.2467 44.5716 174.2174 88 P 4.6003 0.0000 0.0000 63.4831 32.3230 175.3683 89 D 4.7003 8.5100 122.9582 53.2344 41.6619 177.5049 90 R 4.0512 8.6924 129.3858 61.7023 29.1729 174.8763 91 D 4.5595 8.7897 118.0980 57.7858 40.8334 178.5302 92 N 4.4108 8.1110 116.6522 56.1895 38.4494 177.7291 93 V 3.6822 7.7016 119.3325 65.9904 31.8134 177.8450 94 E 4.0192 8.5645 118.5862 59.1812 29.0320 178.8510 95 H 4.0666 8.1031 117.7538 59.1614 30.0700 176.8074 96 A 4.1825 7.8301 121.2996 55.1683 18.4660 179.2509 97 R 4.1454 8.3647 119.7409 60.1251 30.0629 180.1615 98 R 4.3013 7.7119 117.7754 59.0359 29.1558 179.9912 *100 L 4.6686 7.9139 122.2437 56.1448 44.1932 179.0180 101 H 4.1548 8.6259 118.3010 59.3332 29.9149 177.1426 102 D 4.4620 8.3334 117.9232 56.7554 40.6887 177.0365 103 N 4.8630 8.1321 114.1296 52.4770 38.8729 174.6384 104 G 3.9373 8.0053 104.9988 46.8609 0.0000 174.8581 105 L 4.7167 8.1123 117.8824 53.9012 43.2308 178.4906 106 I 3.8446 7.7110 119.8163 63.4018 38.1262 177.0652 107 D 4.5510 8.1216 118.7305 55.2814 39.4970 176.6861 108 R 4.6982 8.2077 115.9249 55.5122 31.1544 174.7589 109 V 4.8127 7.8817 118.4902 61.4997 34.1427 174.1348 110 E 4.6833 9.3653 129.2943 54.5028 31.4925 174.2873 111 L 4.9992 8.5871 126.3783 53.1202 44.7606 175.9449 112 Q 4.6086 8.4528 120.4279 54.2385 33.4893 173.8315 113 V 4.5072 8.9346 122.9856 60.5936 32.8181 176.2434 114 G 3.8029 7.8075 114.5163 45.1551 0.0000 169.9697 115 D 4.6053 8.0497 120.0777 53.5559 41.7910 175.2631 116 P 4.2826 0.0000 0.0000 66.2759 31.6474 178.6541 117 L 4.0426 7.8038 117.0266 57.2312 41.3763 179.7916 118 G 3.5969 7.9508 105.2880 47.9650 0.0000 175.4998 119 I 3.9812 7.9907 122.5372 63.5903 37.3139 178.2557 120 A 4.0227 8.4342 121.8715 55.0163 17.9722 179.0560 121 A 4.2261 7.7670 117.1185 53.8624 18.5439 179.0655 122 G 3.7361 7.8962 103.2076 45.1338 0.0000 174.2697 123 Q 4.3551 7.4757 122.3215 56.0057 29.7436 176.1116 124 R 4.6416 7.7179 117.1023 55.5112 33.2842 175.6224 125 D 4.4935 8.6194 116.9105 55.3848 38.5504 174.1586 126 I 4.0603 8.2327 120.1531 61.8635 37.9131 178.1545 127 D 4.5346 9.1571 127.2866 56.1328 42.5275 176.7246 128 I 5.0343 7.5295 118.6418 59.3349 41.2012 174.1445 129 L 4.9720 8.8561 129.5102 53.3919 44.0011 175.5100 130 F 5.5065 8.8180 128.7695 55.9540 42.1136 174.3670 *132 D 4.2373 8.3280 119.4380 54.0585 40.5539 175.8094 133 C 4.5581 8.7399 124.5268 62.1260 28.3476 175.8533 134 D 4.3582 8.5549 118.6676 55.8153 40.7949 177.0146 135 V 3.9063 6.9944 117.8570 63.3431 32.9830 175.6046 136 F 5.0027 7.9353 116.9960 55.3462 42.4767 173.3979 137 N 4.6909 8.6408 121.8469 52.3992 39.7522 175.9932 138 G 2.0876 8.3142 112.3412 47.5053 0.0000 175.1954 139 A 3.9970 7.5477 122.0987 55.1098 18.2293 179.3474 140 D 4.2592 7.5931 116.5421 57.2774 41.2969 178.8643 141 V 3.5079 7.2957 118.3162 65.9268 31.4206 177.7803 142 L 4.0474 7.8323 118.8550 57.9151 41.9620 178.4050 143 E 4.1718 7.9095 117.6136 58.4980 29.3201 177.7283 144 R 4.3684 7.2378 115.7556 56.2237 30.6262 176.5388 *146 N 4.8277 8.0858 119.2023 53.8274 40.4312 176.3770 147 R 4.1395 7.9736 114.6512 58.2275 30.5214 176.7928 148 C 4.4199 7.8815 114.7059 60.1003 28.9466 173.0725 149 L 4.7241 7.4639 120.0706 54.1378 42.0995 177.0444 150 A 4.5314 8.8443 125.3208 50.5474 20.0146 176.6346 151 K 3.8596 8.4751 120.5950 57.3747 32.8743 176.1494 152 N 4.3591 8.8886 121.4825 53.1485 36.3556 174.3439 153 A 4.3539 7.3904 118.6972 52.1039 20.1718 177.1005 154 L 5.2390 8.9493 122.1578 53.2362 44.9207 174.9854 155 L 5.0352 9.3583 129.3768 54.1915 43.8208 175.1029 156 I 5.0806 8.9700 126.8609 59.6347 40.2263 174.3561 157 A 4.5879 9.0789 130.2842 50.0960 21.2626 175.9751 158 V 4.1411 8.0112 115.5781 61.0691 33.9679 175.7866 159 N 4.4868 8.6736 115.9329 54.6116 35.6545 175.9082 160 A 4.2165 8.2440 122.3449 53.9870 18.7940 179.1837 161 L 4.7060 7.7576 113.3892 54.9409 43.7048 177.4189 162 R 4.4857 7.4760 118.5560 54.3635 31.3841 175.3821 *179 R 4.2862 8.4527 117.5067 56.1652 31.0537 176.2926 180 E 3.8568 9.2935 119.4636 58.9266 30.4760 176.0417 181 F 4.2798 8.1765 120.5409 61.2708 39.3405 176.7192 182 N 4.0860 8.2300 114.8163 56.3929 38.7523 176.4700 183 H 4.2104 7.7527 119.3094 59.3622 30.0349 176.6699 184 H 4.0265 8.4132 120.4569 59.3558 29.5076 176.9557 185 L 3.6425 7.3079 120.0301 57.0560 41.8473 177.9002 186 S 4.4726 7.1512 112.4495 58.5516 63.0513 174.3949 187 R 4.5588 7.4936 119.6658 55.1901 31.4538 174.9699 188 R 4.5998 7.5554 115.0583 53.9011 31.5216 176.5642 189 R 3.9744 8.8063 122.6627 58.7805 30.3411 176.4391 190 D 4.6362 8.0917 115.5447 53.6293 40.1649 175.4023 191 F 5.1830 8.0462 118.1027 55.8138 43.0657 174.0022 192 F 4.7801 9.6382 125.4513 57.0004 41.0030 174.3235 193 T 5.1773 7.8546 122.3709 62.0913 71.6335 173.4533 194 T 4.6002 8.9137 118.7919 60.5698 71.6456 172.4249 195 I 4.9172 8.3019 127.3149 59.7653 39.2577 175.3213 196 V 4.1872 8.7662 122.0817 59.0578 33.1912 175.2395 197 P 4.8664 0.0000 0.0000 61.3486 30.2578 175.3719 198 V 4.4211 7.3862 121.6800 61.5557 35.1911 176.5092 199 G 3.8551 8.2002 111.9013 47.3801 0.0000 173.2774 200 N 4.7052 8.9057 120.6869 52.5689 38.6849 173.7503 201 G 4.1084 9.0737 108.7528 45.9333 0.0000 173.2336 202 V 4.7416 8.5614 123.1065 60.8801 34.5258 173.9921 203 L 4.7353 8.8707 131.3046 54.4700 43.6210 175.2038 204 L 5.1813 9.3605 126.6453 53.0057 44.6966 175.6796 205 G 4.3831 9.5266 112.5615 44.6494 0.0000 170.7996 206 Y 5.1964 9.1988 129.3465 55.8364 40.6121 174.5741 207 R 3.5885 8.6130 128.7284 55.8224 31.1627 176.2912 208 L 4.1980 8.0618 126.0431 54.9847 41.3023 177.0366 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 3 P 0.00 4.41 0.00 2.20 2.13 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 4 I 8.49 3.93 1.88 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 1.42 0.70 0.92 0.00 0.00 5 V 7.43 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 0.72 0.00 0.00 0.95 0.00 0.00 6 D 8.73 4.35 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.79 4.23 0.00 4.10 4.12 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 8 R 8.09 4.01 0.00 2.15 2.02 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 9 I 7.91 3.89 2.05 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 1.58 0.87 0.98 0.00 0.00 10 G 8.16 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 0.00 0.00 0.00 11 A 8.11 4.04 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 12 Y 8.07 4.03 0.00 3.15 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 0.00 13 L 7.98 3.82 0.00 1.78 1.68 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.23 4.55 0.00 2.85 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 15 G 7.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.25 4.06 0.00 1.55 1.59 0.60 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17 L 6.85 4.04 0.00 1.77 1.60 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.59 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 19 E 8.42 3.98 0.00 1.95 1.89 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 2.29 2.31 0.00 20 A 8.23 4.25 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 0.00 0.00 0.00 0.00 0.00 21 D 8.44 4.50 0.00 2.71 2.48 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 22 P 0.00 4.32 0.00 2.24 2.25 0.00 3.72 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 2.04 1.99 0.00 23 V 8.42 3.25 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.78 0.00 0.00 0.77 0.00 0.00 24 V 7.21 3.41 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 1.02 0.00 0.00 0.50 0.00 0.00 25 A 8.32 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 26 A 7.95 3.93 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 *28 E 8.37 4.24 0.00 2.23 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 2.33 2.53 0.00 29 Q 7.62 4.06 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 30 I 7.60 3.92 1.79 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 1.43 0.67 0.83 0.00 0.00 31 A 7.98 4.00 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 *32 R 7.73 3.92 0.00 1.78 1.96 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 33 E 8.02 4.31 0.00 2.12 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 0.00 2.47 2.33 0.00 34 R 8.16 4.11 0.00 1.83 2.00 0.00 3.28 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 35 N 7.33 4.12 0.00 2.90 2.82 0.00 0.00 7.04 7.82 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 36 I 7.93 4.39 1.86 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 1.29 0.83 0.91 0.00 0.00 37 P 0.00 4.50 0.00 2.06 1.99 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 38 I 7.86 4.76 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.97 0.00 0.00 39 V 8.42 3.67 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.11 0.00 0.00 40 D 8.52 4.65 0.00 2.91 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 41 R 8.42 3.87 0.00 1.96 1.98 0.00 3.30 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.97 0.00 42 Q 7.98 3.90 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 43 T 8.38 3.87 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 1.21 0.00 0.00 44 G 7.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.02 3.64 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0.00 0.00 0.00 122 G 7.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 7.48 4.36 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.60 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 124 R 7.72 4.64 0.00 1.77 1.63 0.00 3.42 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 125 D 8.62 4.49 0.00 2.82 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 0.00 126 I 8.23 4.06 1.87 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 1.21 0.73 0.93 0.00 0.00 127 D 9.16 4.53 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 0.00 128 I 7.53 5.03 1.64 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 1.27 0.83 0.91 0.00 0.00 129 L 8.86 4.97 0.00 1.78 1.55 0.98 0.47 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 0.00 130 F 8.82 5.51 0.00 3.20 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 *132 D 8.33 4.24 0.00 2.86 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 0.00 133 C 8.74 4.56 0.00 3.29 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 0.00 134 D 8.55 4.36 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 6.99 3.91 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 -0.17 0.00 0.00 0.78 0.00 0.00 136 F 7.94 5.00 0.00 3.01 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 0.00 137 N 8.64 4.69 0.00 2.69 2.87 0.00 0.00 6.87 7.92 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 0.00 138 G 8.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.55 4.00 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 0.00 140 D 7.59 4.26 0.00 2.76 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 0.00 141 V 7.30 3.51 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 0.86 0.00 0.00 0.72 0.00 0.00 142 L 7.83 4.05 0.00 1.85 1.73 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.91 4.17 0.00 2.12 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 2.63 2.47 0.00 144 R 7.24 4.37 0.00 1.75 1.87 0.00 3.12 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 *146 N 8.09 4.83 0.00 3.07 2.90 0.00 0.00 7.12 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 0.00 147 R 7.97 4.14 0.00 1.84 1.97 0.00 3.41 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 1.64 1.60 0.00 148 C 7.88 4.42 0.00 2.97 3.06 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 0.00 149 L 7.46 4.72 0.00 1.63 1.59 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.84 4.53 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.48 3.86 0.00 1.72 1.68 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 152 N 8.89 4.36 0.00 2.85 2.80 0.00 0.00 7.24 7.35 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 0.00 153 A 7.39 4.35 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 0.00 154 L 8.95 5.24 0.00 1.92 1.63 1.14 0.62 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 0.00 155 L 9.36 5.04 0.00 1.91 1.77 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.97 5.08 2.21 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 1.13 0.00 0.00 157 A 9.08 4.59 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 0.00 158 V 8.01 4.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 159 N 8.67 4.49 0.00 2.86 3.02 0.00 0.00 6.92 7.35 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 0.00 160 A 8.24 4.22 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 0.00 161 L 7.76 4.71 0.00 1.78 1.69 0.92 0.69 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 0.00 162 R 7.48 4.49 0.00 1.71 1.97 0.00 3.32 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 *179 R 8.45 4.29 0.00 2.00 1.71 0.00 3.29 0.00 0.00 3.28 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 180 E 9.29 3.86 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 2.43 2.39 0.00 181 F 8.18 4.28 0.00 3.13 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 0.00 182 N 8.23 4.09 0.00 2.72 2.81 0.00 0.00 6.84 8.16 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 0.00 183 H 7.75 4.21 0.00 3.22 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 H 8.41 4.03 0.00 3.29 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 7.31 3.64 0.00 0.55 1.09 0.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 186 S 7.15 4.47 0.00 3.91 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 0.00 187 R 7.49 4.56 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.00 188 R 7.56 4.60 0.00 2.07 1.92 0.00 2.69 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 189 R 8.81 3.97 0.00 1.80 2.03 0.00 3.23 0.00 0.00 3.28 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 190 D 8.09 4.64 0.00 2.70 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 0.00 191 F 8.05 5.18 0.00 2.89 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 0.00 192 F 9.64 4.78 0.00 3.27 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 0.00 193 T 7.85 5.18 4.05 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 1.07 0.00 0.00 194 T 8.91 4.60 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 1.28 0.00 0.00 195 I 8.30 4.92 1.85 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 1.32 0.73 0.91 0.00 0.00 196 V 8.77 4.19 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 0.74 0.00 0.00 0.95 0.00 0.00 197 P 0.00 4.87 0.00 2.18 2.09 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 198 V 7.39 4.42 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 0.90 0.00 0.00 199 G 8.20 3.86 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 0.00 0.00 0.00 200 N 8.91 4.71 0.00 2.92 3.00 0.00 0.00 6.97 7.58 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 0.00 201 G 9.07 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 0.00 0.00 0.00 202 V 8.56 4.74 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 1.07 0.00 0.00 1.01 0.00 0.00 203 L 8.87 4.74 0.00 1.79 1.56 0.81 0.37 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 0.00 204 L 9.36 5.18 0.00 1.64 1.65 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 205 G 9.53 4.38 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 0.00 206 Y 9.20 5.20 0.00 3.18 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 0.00 207 R 8.61 3.59 0.00 1.46 1.38 0.00 2.80 0.00 0.00 2.81 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.91 0.00 208 L 8.06 4.20 0.00 1.50 1.55 1.10 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.