NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7289 8.3549 109.7364 45.4144 0.0000 172.7569 *3 D 4.4536 7.9367 125.4679 54.2200 42.3913 175.5965 4 F 4.5003 8.1711 113.7243 58.4683 38.6867 176.2642 5 I 3.9388 5.4200 120.2690 58.5036 39.2430 174.6952 6 F 4.4612 9.2575 128.0143 57.2326 39.1998 174.3618 7 H 4.5905 8.0452 127.5874 53.9852 31.9349 172.1715 8 E 4.1193 8.3881 128.2682 53.7289 29.7481 175.3504 9 K 4.0416 8.1244 125.9792 56.5222 33.1259 176.6531 10 Q 4.0568 9.2389 126.4720 54.8400 30.0163 173.7229 11 E 4.3550 8.7464 127.9314 55.7080 31.3510 177.6508 12 G 3.6253 8.4457 112.8058 45.6597 0.0000 174.1233 13 F 5.0160 8.6319 120.6478 57.6486 39.9117 175.8935 14 L 4.7373 7.8611 119.1494 54.9202 42.2116 178.3982 15 C 4.4846 8.5461 117.3207 61.1737 29.8840 174.1692 16 A 3.6940 8.4121 123.5211 54.7857 17.6719 179.0865 17 Q 3.7070 7.8962 117.0869 59.5900 29.2951 177.7099 18 H 4.3623 7.7900 116.7016 59.2123 28.9303 176.9139 19 C 4.0013 8.9144 120.9938 62.7904 31.2629 175.4126 20 L 3.8607 7.7644 119.9909 58.1638 41.2557 179.2704 21 N 4.5868 8.6045 116.2406 56.7092 38.3542 177.2490 22 N 4.5763 8.6317 116.9713 56.1800 38.7286 176.8148 23 L 4.1065 7.6342 120.3177 58.4075 42.3521 178.9435 24 L 3.7151 7.8372 116.4034 54.9822 42.0192 176.6587 25 Q 3.7490 8.6713 117.1326 56.3552 26.0464 172.7387 26 G 3.1849 7.0777 103.7241 45.2207 0.0000 174.5110 27 E 4.4721 8.0088 120.1569 55.7104 27.8828 176.4113 28 Y 3.8959 8.2488 119.2079 59.7255 38.9808 176.3472 29 F 5.4462 9.2557 116.5894 54.8102 41.5354 175.0387 30 S 4.9078 8.4711 116.9259 55.2290 66.2923 172.9964 31 P 4.3004 0.0000 0.0000 66.1538 31.0383 179.1179 32 V 3.6747 7.9671 117.0532 64.9129 30.8657 177.8668 33 E 3.9541 8.2635 119.6350 59.2138 29.5734 178.6596 34 L 3.7112 7.9312 118.2946 57.5596 41.5147 178.9203 35 A 4.1563 8.3462 120.9532 55.8163 18.3050 180.0555 36 S 4.1777 8.1785 112.9404 61.3881 62.7925 177.2880 37 I 3.7005 7.6064 122.4853 64.2625 36.9292 177.7548 38 A 4.0664 8.1128 121.8698 56.0230 18.1826 179.4687 39 H 4.6116 8.3170 115.6979 58.4942 28.7231 178.1484 40 Q 4.0223 8.0306 119.4919 59.1361 28.6797 178.5859 41 L 4.0320 8.0520 119.8866 58.1127 41.4676 179.5383 42 D 4.3771 8.2523 118.5611 57.3788 40.6011 178.2238 43 E 3.9835 8.0341 118.3985 59.4894 29.6421 178.3554 44 E 4.1379 8.0138 117.3005 59.6482 29.6280 178.9895 45 E 4.1925 7.8768 116.9160 59.0954 29.5146 179.7294 46 R 3.9495 7.9078 115.1513 57.2069 30.0406 176.8387 *48 R 4.0680 7.8086 113.6849 55.6025 31.6770 177.0745 *50 A 4.2820 7.8214 122.8075 51.9950 20.2857 179.1656 51 E 3.8229 7.4252 115.2495 60.0559 29.6146 178.5080 52 G 3.8161 7.9940 104.6969 45.1089 0.0000 171.8493 53 G 4.0512 8.1297 112.0512 45.2776 0.0000 174.6339 54 V 3.7842 8.0012 116.3554 61.2998 32.3337 176.3097 55 T 4.3034 8.1510 119.5621 62.9772 69.1567 175.7512 56 S 4.2161 8.4864 116.3306 61.0758 62.8701 175.3275 57 E 4.2017 8.1268 120.0159 57.8658 30.0808 177.4040 58 E 4.2109 8.0306 118.4608 58.6740 29.7333 177.3410 59 Y 4.2228 7.9512 119.9875 60.3720 38.8370 177.1516 60 L 3.9930 7.9227 120.2702 57.8439 41.8785 178.5091 61 A 4.0792 8.0403 119.7823 54.0808 17.8445 179.2045 62 F 4.2468 7.9209 119.2267 61.0677 39.3757 177.6546 63 L 3.4666 7.8459 118.3122 57.1751 41.3776 179.1457 64 Q 4.3238 7.8810 117.1357 57.6604 29.1641 176.0584 65 Q 4.1712 7.5556 122.6377 53.0489 30.3761 172.8322 66 P 4.1172 0.0000 0.0000 63.6728 31.6220 177.1597 67 S 4.8258 7.5266 110.2538 56.3841 65.2353 173.1931 68 E 4.4853 8.5250 121.2348 55.7672 31.9731 175.9251 69 N 4.4763 8.5812 114.3414 54.1520 35.4617 173.9344 *71 D 4.6257 7.5471 117.7778 53.9082 41.9502 175.6817 72 D 4.4360 8.3368 118.8493 56.5441 41.5624 177.2822 73 T 3.6912 7.6702 108.7943 64.9455 68.6287 174.8456 74 G 4.2043 7.4739 108.3267 45.2209 0.0000 173.6493 75 F 4.5688 7.7664 116.7971 56.7304 39.7278 175.2079 76 F 5.1834 8.7086 121.6217 55.6200 42.4049 175.3881 77 S 4.7522 8.6295 118.6765 57.5683 64.1423 174.8911 78 I 3.5418 8.8264 121.0099 64.7890 37.3723 178.0316 79 Q 3.9202 7.9070 118.3984 58.7031 28.5926 178.8659 80 V 3.4358 7.6192 118.9164 65.8803 31.5605 177.8322 81 I 3.1267 7.3413 118.9970 64.3557 36.9020 177.8051 82 S 3.8720 7.8650 113.5972 61.7295 62.0337 176.1695 83 N 4.3495 8.0255 117.0575 55.6116 38.4175 177.1539 84 A 3.2107 7.2650 122.1890 54.8105 18.5286 179.6413 85 L 4.1363 7.5865 117.2638 57.7973 41.5725 179.9558 86 K 4.1274 7.9807 118.1051 58.9996 31.6772 178.9525 87 F 4.0915 7.8500 117.7976 59.9851 38.9158 176.7507 88 W 4.7461 7.9978 118.6409 57.2231 30.1411 175.8477 89 G 4.1173 7.8937 102.7915 46.9301 0.0000 173.8546 90 L 5.0657 8.0775 115.3958 52.8283 45.8598 177.6862 91 E 4.7742 9.0070 122.5585 54.2884 33.5499 174.1893 92 I 4.8842 8.3269 123.7560 59.3302 40.2535 174.4376 93 I 4.7139 8.5198 130.2361 59.3920 40.0656 175.1942 94 H 4.1915 9.1483 123.6077 56.3237 28.7507 175.4184 95 F 4.5901 8.5189 123.3539 60.3440 39.9876 175.3962 96 N 4.6511 7.9596 114.9049 53.3608 38.8997 174.7102 97 N 4.5733 8.0855 117.5094 53.0348 40.2154 172.0588 98 P 4.1651 0.0000 0.0000 65.8290 31.2381 177.7160 99 E 3.9121 8.1839 118.3141 59.9987 29.9720 178.6117 100 Y 4.2577 7.9597 118.5942 60.7852 39.2246 176.7900 101 Q 3.9636 8.5518 118.8893 57.0897 28.9524 177.7382 102 K 4.0196 8.1422 119.4178 59.9668 32.2541 178.4138 103 L 4.1967 7.7023 115.9148 54.7542 41.4889 177.1019 104 G 3.9819 7.6544 106.8298 45.8614 0.0000 174.0195 105 I 3.6867 7.3952 120.7066 60.5138 37.4412 175.9161 106 D 4.5022 8.7684 125.2593 52.8540 39.8750 175.4962 107 P 4.7192 0.0000 0.0000 65.5573 31.5172 177.8167 108 I 4.0162 7.3434 116.1168 62.2796 37.7213 175.2860 109 N 5.0602 8.1043 115.6824 54.2148 40.5114 173.8838 110 E 4.3641 8.5990 116.5275 57.2805 30.4668 176.0822 111 R 4.2665 8.2953 116.6986 58.0197 32.1469 177.0484 112 S 5.1861 7.2103 110.5987 57.3104 66.2757 173.7029 113 F 5.3405 9.7762 120.1948 55.9280 43.2818 173.7012 114 I 4.9388 8.9847 122.9977 59.7963 40.0234 174.4893 115 C 5.3367 8.7846 123.8217 58.0452 31.9510 172.7422 116 N 5.1822 8.7879 120.4174 51.9145 39.7238 171.6404 117 Y 4.0645 8.8767 125.4497 56.8747 40.7234 176.2316 118 K 4.2194 8.7059 127.6742 58.0467 29.9106 174.2316 119 Q 3.4285 7.7977 111.1700 56.9167 27.2869 174.9341 120 H 4.6932 8.1258 116.9159 54.5347 33.3867 172.7368 121 W 5.7204 8.9750 126.1526 56.2202 30.0537 175.6486 122 F 5.1066 8.6813 116.4798 56.4063 40.8828 172.6067 123 T 4.9969 8.7781 116.2707 61.9884 71.5179 173.5274 124 I 5.0278 9.4270 126.8033 59.9094 39.9246 174.3055 125 R 4.9821 8.7288 127.9417 54.2014 32.7791 174.6330 126 K 4.1036 8.1941 126.9773 55.2372 33.3598 176.8740 127 F 4.5960 8.8888 125.5879 55.7126 40.4135 177.6839 128 G 3.9190 8.0688 118.4604 46.5443 0.0000 174.3199 129 K 4.1737 9.0667 125.2184 57.8293 32.6498 176.3256 130 H 5.1419 7.7978 114.9571 53.5831 32.1545 172.1501 131 W 5.0859 8.7555 122.9669 55.6843 30.7711 175.1990 132 F 5.1583 9.4967 122.8857 55.6725 42.3532 173.5212 133 N 5.0445 9.0376 121.6691 52.0309 40.4866 175.1659 134 L 5.0189 8.7840 127.4911 53.9971 43.1113 176.2308 135 N 4.6099 8.3676 118.5099 54.4583 39.3690 175.7939 136 S 4.2436 9.1950 120.2690 60.4238 63.5435 175.0394 137 L 4.5029 8.0200 120.7481 54.6555 41.2483 176.1814 138 L 4.6361 7.4867 118.6854 52.7765 43.7066 176.7918 139 A 4.0620 8.5172 122.7912 54.3612 18.6037 177.4361 140 G 3.7801 7.1671 102.4398 44.3609 0.0000 171.9210 141 P 4.8343 0.0000 0.0000 61.8143 30.4981 175.4045 142 E 4.1481 8.5712 126.1227 55.7140 30.6585 175.5815 143 L 3.6313 8.4825 129.1691 54.9021 43.1667 175.9205 144 I 4.7173 7.9035 124.6139 59.4539 40.9457 175.6812 145 S 4.4371 8.6488 120.8093 57.7060 64.1725 174.6947 146 D 4.4423 8.8846 121.6547 57.7603 40.5139 179.1591 147 T 4.1519 7.8091 109.3378 64.2275 69.4168 176.3586 148 C 4.3415 8.1739 118.4283 61.0385 28.1636 175.2600 149 L 4.1036 8.0895 122.4477 57.4552 41.9545 177.9276 150 A 4.0926 7.6932 119.2071 55.2961 16.8899 179.0429 151 N 4.3850 8.0760 114.8951 56.7534 39.1777 177.0238 152 F 4.0272 7.8675 121.6634 61.3441 39.2297 176.7586 153 L 3.5778 8.4563 120.1203 58.0503 41.7332 178.8015 154 A 4.0407 7.3941 118.8208 54.8206 18.0173 179.2676 155 R 3.7488 7.4822 116.6418 59.5807 30.1887 177.5597 156 L 4.2142 6.8517 113.6703 55.5087 42.2011 177.7474 157 Q 4.1044 7.9419 120.7953 58.8893 28.9411 176.4150 158 Q 4.2488 7.7187 114.8318 56.1842 30.7751 176.2561 159 Q 3.7228 9.1021 116.2593 56.4227 26.1938 174.0687 160 A 3.9100 7.3250 126.6674 53.0270 18.0816 177.3649 161 Y 4.1465 7.1392 113.5751 57.7480 37.5055 176.3127 162 S 4.2715 8.6925 121.9856 58.1908 64.5107 173.6119 163 V 4.3651 8.2161 124.5138 61.5743 33.4255 174.3104 164 F 5.3965 9.3910 126.1193 55.6486 42.4564 174.6827 165 V 4.3976 8.9680 123.0687 60.7085 33.6342 175.1121 166 V 4.7135 7.8202 123.1099 61.4609 32.8020 174.7998 167 K 4.5299 10.0207 127.7893 54.3012 34.4339 176.3602 168 G 4.4117 8.3046 110.0896 43.3106 0.0000 172.1893 169 D 4.5608 8.0225 120.7293 52.6556 40.7712 177.0361 170 L 4.1135 8.1403 124.4034 53.8006 42.3499 174.9719 171 P 4.5166 0.0000 0.0000 61.7050 32.0063 177.4267 172 D 4.5121 8.2262 119.8311 54.4633 38.3832 176.1290 173 C 4.3184 8.1748 124.3073 59.0294 32.5817 173.8103 174 E 4.1088 8.7442 121.4244 59.1381 29.4964 179.5100 175 A 4.0821 8.0545 121.2363 55.0638 19.0428 179.0877 176 D 4.3792 8.3232 115.7802 57.9068 40.9754 178.3623 177 Q 4.1742 7.7867 113.8255 56.4122 28.4366 176.1730 178 L 4.5561 8.0033 120.6126 56.5465 44.1736 178.4477 179 L 4.0252 8.1169 117.0360 56.9386 41.9078 178.2796 180 Q 4.1415 8.3427 117.4746 59.1440 28.7697 177.0262 181 I 3.9308 7.8648 121.4166 61.5762 37.0639 175.9127 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 G 8.35 3.73 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 0.00 0.00 0.00 *3 D 7.94 4.45 0.00 2.52 2.34 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 4 F 8.17 4.50 0.00 3.02 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 5.42 3.94 0.94 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.31 0.49 0.00 0.00 6 F 9.26 4.46 0.00 2.83 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 7 H 8.05 4.59 0.00 2.85 2.93 0.00 5.93 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 8 E 8.39 4.12 0.00 1.50 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 2.21 2.15 0.00 9 K 8.12 4.04 0.00 1.56 1.63 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.33 7.81 10 Q 9.24 4.06 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 11 E 8.75 4.36 0.00 1.95 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 2.18 2.30 0.00 12 G 8.45 3.63 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 0.00 0.00 0.00 13 F 8.63 5.02 0.00 3.17 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 14 L 7.86 4.74 0.00 1.74 1.64 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.55 4.48 0.00 3.44 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 16 A 8.41 3.69 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 17 Q 7.90 3.71 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 18 H 7.79 4.36 0.00 3.36 3.34 0.00 5.70 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 19 C 8.91 4.00 0.00 3.14 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 20 L 7.76 3.86 0.00 1.89 1.75 -0.09 0.38 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 21 N 8.60 4.59 0.00 3.08 3.47 0.00 0.00 7.14 7.41 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 22 N 8.63 4.58 0.00 2.88 3.01 0.00 0.00 7.01 7.89 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 23 L 7.63 4.11 0.00 1.64 1.96 0.82 0.94 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 24 L 7.84 3.72 0.00 1.33 0.43 0.80 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.67 3.75 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 26 G 7.08 3.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.01 4.47 0.00 1.88 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 2.59 2.35 0.00 28 Y 8.25 3.90 0.00 2.75 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 29 F 9.26 5.45 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.47 4.91 0.00 4.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.30 0.00 2.26 2.27 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 32 V 7.97 3.67 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 0.86 0.00 0.00 0.99 0.00 0.00 33 E 8.26 3.95 0.00 2.20 2.32 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 2.64 2.56 0.00 34 L 7.93 3.71 0.00 1.45 0.68 0.24 0.04 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 35 A 8.35 4.16 1.48 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 36 S 8.18 4.18 0.00 4.10 4.01 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 37 I 7.61 3.70 1.91 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.82 0.00 0.00 38 A 8.11 4.07 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 39 H 8.32 4.61 0.00 3.38 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.03 4.02 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 41 L 8.05 4.03 0.00 1.94 1.91 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.25 4.38 0.00 2.95 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 43 E 8.03 3.98 0.00 2.00 2.19 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 2.36 2.43 0.00 44 E 8.01 4.14 0.00 2.18 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 2.37 2.63 0.00 45 E 7.88 4.19 0.00 2.13 2.04 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 2.37 2.52 0.00 46 R 7.91 3.95 0.00 1.82 2.13 0.00 3.22 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 8.15 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.51 0.00 66 P 0.00 4.12 0.00 2.01 1.97 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 67 S 7.53 4.83 0.00 4.34 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.52 4.49 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 69 N 8.58 4.48 0.00 3.18 3.15 0.00 0.00 6.80 8.08 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 *71 D 7.55 4.63 0.00 2.56 2.44 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 72 D 8.34 4.44 0.00 2.55 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 73 T 7.67 3.69 3.73 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 0.82 0.00 0.00 74 G 7.47 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 1.30 0.00 0.00 125 R 8.73 4.98 0.00 1.79 1.72 0.00 2.92 0.00 0.00 2.76 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 126 K 8.19 4.10 0.00 0.79 0.74 0.00 1.54 0.00 0.00 1.02 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.00 0.71 7.81 127 F 8.89 4.60 0.00 3.18 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.07 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 0.00 0.00 0.00 129 K 9.07 4.17 0.00 1.47 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.41 7.81 130 H 7.80 5.14 0.00 3.53 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.76 5.09 0.00 3.47 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 0.00 132 F 9.50 5.16 0.00 3.52 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 9.04 5.04 0.00 2.87 2.82 0.00 0.00 6.85 6.69 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 0.00 134 L 8.78 5.02 0.00 1.85 1.79 1.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.37 4.61 0.00 2.84 2.68 0.00 0.00 7.01 7.74 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 0.00 136 S 9.20 4.24 0.00 4.09 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 0.00 137 L 8.02 4.50 0.00 1.56 1.61 0.53 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.49 4.64 0.00 1.73 1.62 0.89 0.72 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 0.00 139 A 8.52 4.06 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 0.00 140 G 7.17 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 0.00 141 P 0.00 4.83 0.00 1.95 2.05 0.00 3.64 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 142 E 8.57 4.15 0.00 2.04 1.81 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 2.32 2.28 0.00 143 L 8.48 3.63 0.00 0.91 1.35 0.42 0.87 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 0.00 144 I 7.90 4.72 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.86 0.83 0.00 0.00 145 S 8.65 4.44 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.88 4.44 0.00 2.78 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 7.81 4.15 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 1.23 0.00 0.00 148 C 8.17 4.34 0.00 3.19 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.09 4.10 0.00 1.68 1.58 0.70 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.69 4.09 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 0.00 151 N 8.08 4.39 0.00 2.99 2.86 0.00 0.00 6.75 7.02 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 0.00 152 F 7.87 4.03 0.00 3.20 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 0.00 153 L 8.46 3.58 0.00 1.51 1.43 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.39 4.04 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 0.00 155 R 7.48 3.75 0.00 1.68 1.80 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 156 L 6.85 4.21 0.00 1.43 1.61 1.11 0.94 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 0.00 157 Q 7.94 4.10 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 158 Q 7.72 4.25 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 5.82 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 159 Q 9.10 3.72 0.00 2.49 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 160 A 7.32 3.91 1.05 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 0.00 0.00 161 Y 7.14 4.15 0.00 2.91 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 0.00 162 S 8.69 4.27 0.00 3.89 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 0.00 163 V 8.22 4.37 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 0.54 0.00 0.00 0.75 0.00 0.00 164 F 9.39 5.40 0.00 3.04 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 0.00 165 V 8.97 4.40 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 0.43 0.00 0.00 0.73 0.00 0.00 166 V 7.82 4.71 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 0.73 0.00 0.00 0.88 0.00 0.00 167 K 10.02 4.53 0.00 1.70 1.70 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.37 1.57 7.81 168 G 8.30 4.41 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 0.00 0.00 0.00 169 D 8.02 4.56 0.00 2.67 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 0.00 170 L 8.14 4.11 0.00 1.51 1.47 0.74 1.01 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 0.00 171 P 0.00 4.52 0.00 1.86 1.76 0.00 3.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 172 D 8.23 4.51 0.00 2.65 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 0.00 173 C 8.17 4.32 0.00 2.90 3.16 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 0.00 174 E 8.74 4.11 0.00 2.03 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 2.35 2.19 0.00 175 A 8.05 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.32 4.38 0.00 2.73 2.74 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 0.00 177 Q 7.79 4.17 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 178 L 8.00 4.56 0.00 1.71 1.76 0.93 0.74 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 0.00 179 L 8.12 4.03 0.00 1.68 1.74 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.34 4.14 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.09 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 181 I 7.86 3.93 1.85 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 1.15 0.57 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.