NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 Y 4.8964 8.0033 118.3471 59.3498 39.4459 176.8580 44 C 4.0541 9.6213 119.4051 55.3746 39.0921 173.8734 45 S 4.2474 7.8435 114.4555 60.5605 63.6578 175.7282 46 R 4.5842 7.8106 117.4581 55.7072 30.0985 182.2832 47 I 3.8966 7.9777 119.3953 64.3426 38.2708 176.5659 48 L 4.6595 7.9298 120.6060 54.9781 42.2009 178.7332 49 R 3.8554 7.9186 118.2717 59.1146 29.2876 182.1888 50 A 4.5890 7.9108 118.2780 51.8531 18.9980 176.4935 51 Q 4.0728 7.7051 117.1703 55.3257 29.9570 175.7341 52 G 3.9260 5.3800 111.1754 43.9405 0.0000 171.9933 53 T 4.1539 8.1816 107.4862 62.5676 69.7284 175.2973 54 R 3.9611 8.1934 122.7354 56.4898 30.4919 175.4137 55 R 4.6169 8.6149 123.7960 54.7782 31.7722 175.8671 56 E 4.4982 8.5229 124.0087 53.4525 28.7002 175.9038 57 G 3.4250 7.6563 109.2652 47.5025 0.0000 169.4100 58 Y 4.9320 7.7294 116.8770 55.7088 39.8132 175.4141 59 T 4.7414 8.4675 115.0393 60.1787 71.7597 173.3234 60 E 4.1116 8.6530 118.0938 57.1436 29.9900 175.8107 61 F 5.1520 7.6033 118.4907 56.1042 41.5042 175.3136 62 S 4.8770 8.9615 117.8911 56.7316 66.5019 172.5935 63 L 4.9592 8.8596 127.7420 53.8127 42.9415 175.7396 64 R 4.8045 9.1607 124.6962 54.3933 35.2140 174.2151 65 V 4.8302 8.0626 120.2302 60.9048 33.7866 174.9485 66 E 4.2327 9.1005 128.9457 58.1091 29.7512 177.6666 67 G 3.8925 8.7466 111.4548 44.5630 0.0000 172.6057 68 D 4.3558 7.7709 118.8235 54.5613 38.8207 172.3669 69 P 4.3283 0.0000 0.0000 62.9328 32.4009 177.0178 70 D 4.5227 8.2361 120.1987 56.4713 41.2887 175.7970 71 F 5.0768 7.0123 111.9436 56.1958 40.5454 172.7765 72 Y 4.9887 8.8495 118.2852 55.5554 40.2850 175.1136 73 K 4.8264 9.4975 121.1199 53.9629 34.6918 174.1640 74 P 4.8634 0.0000 0.0000 63.8323 31.6345 176.7795 75 G 3.9226 8.7010 111.3175 45.5522 0.0000 173.7778 76 T 4.0279 7.7404 117.3668 63.4007 69.7164 173.9265 77 S 4.8363 8.1772 121.6835 57.8876 64.1965 173.1528 78 Y 4.8849 9.1923 121.9338 56.1543 41.6729 174.6283 79 R 4.9797 8.9408 123.6581 55.6149 31.7989 174.7822 80 V 4.9901 9.1462 127.6864 61.4574 33.8081 174.4800 81 T 5.0910 9.0974 117.7759 59.7186 72.2951 172.4153 82 L 5.1251 8.7352 125.5910 53.5188 44.9528 175.3217 83 S 5.4466 9.2477 120.9894 57.0288 67.4304 172.8538 84 A 5.0164 9.0439 125.6205 50.8777 21.7426 175.4492 *87 P 4.2891 0.0000 0.0000 62.7846 33.2289 177.0937 88 S 4.2773 7.8277 113.6015 58.8737 62.9439 171.6557 89 Y 5.1451 7.4754 121.4733 56.2753 40.7544 173.0865 90 F 5.2216 8.9427 114.4271 55.4022 40.9855 175.5993 91 R 5.0624 8.9271 117.9442 55.8017 32.6905 176.4428 92 G 4.5188 8.0848 104.6688 44.9287 0.0000 171.6475 93 F 5.4419 9.0217 115.6075 55.9511 41.8797 173.1069 94 T 4.7840 9.0392 116.1454 61.7550 72.8435 172.6616 95 L 5.4436 9.2830 128.2090 53.2864 45.0502 175.1653 96 I 5.4002 9.1145 118.4263 59.2142 42.0204 174.0093 97 A 4.9505 8.7529 123.5773 50.3377 21.7820 174.9044 98 L 5.1019 8.6754 122.5166 52.7682 45.7053 176.7130 99 R 4.4146 8.7563 121.8120 56.0162 31.1333 176.2124 100 E 4.0176 8.5429 124.5746 57.9332 30.0349 176.9433 101 N 4.4638 8.8453 120.9471 53.5267 36.4082 174.3520 102 R 4.5525 7.4816 116.9547 54.9067 31.8081 176.2602 103 E 4.0859 8.4714 119.6358 57.6811 30.0997 177.7746 104 G 3.9503 8.3293 104.8415 45.2567 0.0000 173.6538 105 D 4.9236 8.1403 118.4343 53.3898 40.2693 175.7998 106 K 4.7404 7.7477 119.5269 54.3978 35.6017 176.6375 107 E 4.0009 8.9396 123.5427 59.2501 29.7377 178.6253 108 E 4.1950 8.1258 115.0341 58.4961 29.9735 177.6570 109 D 4.4451 8.2606 120.2484 57.0038 41.1327 175.9354 110 H 4.9115 8.1217 116.4378 54.7745 29.5715 174.4491 111 A 4.6844 8.7006 127.2804 51.1683 21.4354 178.1098 112 G 3.5488 8.6355 110.0137 45.0551 0.0000 172.3253 113 T 4.5456 7.2514 114.6489 61.8822 72.3799 174.0059 114 F 5.3863 9.0566 125.5503 57.5585 40.4437 174.7769 115 Q 4.9412 9.7891 123.3660 54.2602 32.0303 174.7583 116 I 4.0747 8.6679 127.5783 61.6379 37.9334 175.6901 117 I 4.0970 8.3343 125.1468 62.5560 38.2040 175.5582 118 D 4.7917 7.5464 121.9236 51.9491 41.2683 176.0989 119 E 4.2357 8.5047 122.1002 58.2813 30.0052 178.3624 120 E 4.2118 8.0936 117.8383 57.8655 30.2022 176.7143 121 E 4.8108 8.3313 117.9531 56.7015 32.6585 176.0052 122 T 5.3936 7.7580 107.0718 60.3384 72.3290 173.0709 123 Q 4.4058 8.6083 119.3508 54.8728 32.4723 173.5409 124 F 4.9739 8.1588 118.8442 57.5157 40.0540 175.1392 125 M 4.1076 9.0879 123.5869 55.6848 32.4719 177.4427 126 S 4.1268 9.0347 122.8568 61.2367 63.4531 174.7740 127 N 4.9894 8.0530 115.1542 52.6573 37.7654 175.5148 128 C 5.0441 7.7297 118.8109 55.8171 44.9733 172.4355 129 P 4.3320 0.0000 0.0000 63.4713 31.3036 177.6667 130 V 3.8517 7.4567 110.6395 61.7271 32.3055 175.5000 131 A 5.0969 8.1872 122.7753 50.3471 21.8121 175.8802 132 V 4.7355 8.3548 119.4765 61.5542 34.5111 174.6435 133 T 4.3757 8.8531 120.8901 58.8165 71.5834 172.3027 134 E 4.6769 7.8280 121.1254 56.4627 29.7840 177.2835 135 S 4.5181 8.6773 116.9883 60.7619 63.9956 174.5342 136 T 4.6081 7.6020 107.8046 58.6372 71.5543 171.6208 137 P 4.4333 0.0000 0.0000 63.0994 31.2988 175.6535 138 R 4.7033 8.0202 121.0181 54.4820 34.9886 174.5925 139 R 4.4796 8.3603 121.0097 56.3173 30.7163 176.2820 140 R 4.6694 8.9688 122.6489 54.5914 34.3087 175.8167 141 T 4.5171 8.2626 109.2367 61.7725 71.4563 173.6168 142 R 5.3762 7.6598 121.9019 55.0976 33.1485 173.8181 143 I 4.9030 8.9859 119.1642 59.2187 41.3609 174.1136 144 Q 4.9811 8.3326 119.5754 55.0995 31.7433 174.0092 145 V 4.4953 8.6584 113.1733 60.1851 37.0785 173.9348 146 F 5.5738 8.9840 120.5152 56.4447 41.2892 175.0524 147 W 5.4414 9.7586 131.5709 55.8794 33.8951 173.8689 148 I 4.4890 8.3019 128.5047 59.3740 38.2780 175.3800 149 A 2.7871 8.2652 130.0988 50.6922 19.7812 175.2579 150 P 4.6901 0.0000 0.0000 61.2418 33.4698 174.0000 151 P 4.5795 0.0000 0.0000 61.9360 31.8490 176.1449 152 A 4.2483 8.3508 123.2845 54.2275 18.6012 178.4352 153 G 4.0547 9.4378 110.6786 45.5877 0.0000 175.0514 154 T 3.9358 7.5253 116.0388 64.6383 68.8912 175.6857 155 G 3.8733 8.5483 108.7824 44.4219 0.0000 171.7614 156 C 4.8381 8.6498 115.8822 57.1683 39.6953 173.0966 157 V 5.0104 9.2866 123.0529 61.1158 34.5327 174.2403 158 I 4.8128 8.7035 127.8475 59.4437 39.7436 174.6565 159 L 4.6366 8.6516 128.6831 54.1568 42.9104 176.4506 160 K 5.2222 9.3617 122.3491 54.6651 36.5997 175.1806 161 A 5.4496 8.9644 124.7798 50.2397 22.1483 175.3143 162 S 4.6745 8.8918 115.1764 56.2677 65.3976 173.0127 163 I 5.0228 8.0397 118.1074 59.1306 41.6210 173.8951 164 V 4.2993 8.5072 122.3464 62.3327 33.9270 173.3310 165 Q 4.5099 9.0906 125.8925 55.3135 31.1542 175.2421 166 K 4.5285 8.3726 118.7129 56.1214 34.2845 175.9637 167 R 4.5643 7.2402 114.6382 54.6589 32.2853 173.1552 168 I 4.4601 7.8440 119.0928 59.9366 39.5672 174.6394 169 I 4.0871 8.1743 130.3260 59.6483 38.8642 175.2277 170 Y 4.7274 8.0306 124.7813 57.0483 39.0900 175.5539 171 F 4.4664 8.6573 120.1387 58.4411 39.4452 175.3646 172 Q 4.7562 8.6246 120.6482 54.0378 32.1109 175.6421 173 D 4.5310 8.6932 120.5134 56.7424 40.9982 176.3513 174 E 4.5493 7.8339 115.3463 55.2187 32.1416 174.3705 175 G 2.9191 8.0629 105.4558 43.7723 0.0000 174.1696 176 S 4.3210 8.1844 113.6182 60.2982 63.5923 175.0920 177 L 4.8682 7.6922 120.6362 54.5864 42.7795 175.7016 178 T 5.1902 7.6145 113.9965 61.9635 72.6566 173.7576 179 K 4.5545 9.1485 124.6318 54.5509 36.2472 175.0162 180 K 4.8450 8.7216 126.3788 55.0876 33.7614 175.4057 181 L 4.8843 9.0772 127.1114 53.3237 45.3007 175.4699 182 C 5.2396 8.7374 120.3130 54.8807 43.7051 173.1276 183 E 3.9761 8.2117 119.1959 55.6170 29.7685 177.2319 184 Q 3.3351 8.0454 120.3118 56.3433 28.8674 176.2227 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 43 Y 8.00 4.90 0.00 3.07 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 44 C 9.62 4.05 0.00 3.23 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.84 4.25 0.00 4.04 4.03 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 46 R 7.81 4.58 0.00 1.73 1.91 0.00 3.25 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.14 0.00 47 I 7.98 3.90 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.34 1.05 0.00 0.00 48 L 7.93 4.66 0.00 1.76 1.68 0.97 1.14 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 49 R 7.92 3.86 0.00 1.85 1.86 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 50 A 7.91 4.59 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 51 Q 7.71 4.07 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 52 G 5.38 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 53 T 8.18 4.15 4.24 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 1.17 0.00 0.00 54 R 8.19 3.96 0.00 1.94 2.11 0.00 3.21 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 55 R 8.61 4.62 0.00 1.83 1.85 0.00 3.41 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 56 E 8.52 4.50 0.00 1.91 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 2.21 2.24 0.00 57 G 7.66 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 7.73 4.93 0.00 3.00 2.90 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 59 T 8.47 4.74 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 1.31 0.00 0.00 60 E 8.65 4.11 0.00 1.77 1.88 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 1.47 1.66 0.00 61 F 7.60 5.15 0.00 2.86 2.89 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 62 S 8.96 4.88 0.00 3.76 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 63 L 8.86 4.96 0.00 1.56 1.54 0.90 0.92 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 64 R 9.16 4.80 0.00 1.74 1.76 0.00 3.14 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 65 V 8.06 4.83 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 1.15 0.00 0.00 0.90 0.00 0.00 66 E 9.10 4.23 0.00 2.08 1.95 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 2.39 2.32 0.00 67 G 8.75 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 68 D 7.77 4.36 0.00 2.80 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 69 P 0.00 4.33 0.00 2.20 2.11 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 70 D 8.24 4.52 0.00 2.61 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 71 F 7.01 5.08 0.00 3.02 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 72 Y 8.85 4.99 0.00 3.08 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 73 K 9.50 4.83 0.00 1.90 1.90 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.76 7.81 74 P 0.00 4.86 0.00 2.09 2.20 0.00 3.87 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 75 G 8.70 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 76 T 7.74 4.03 4.34 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 0.50 0.00 0.00 77 S 8.18 4.84 0.00 3.41 3.44 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 78 Y 9.19 4.88 0.00 3.24 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 79 R 8.94 4.98 0.00 2.14 1.94 0.00 3.50 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.36 0.00 80 V 9.15 4.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.18 0.00 0.00 81 T 9.10 5.09 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 1.21 0.00 0.00 82 L 8.74 5.13 0.00 1.43 1.11 0.67 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.25 5.45 0.00 3.80 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 84 A 9.04 5.02 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 *87 P 0.00 4.29 0.00 2.27 2.25 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 88 S 7.83 4.28 0.00 3.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.48 5.15 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.94 5.22 0.00 2.90 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 91 R 8.93 5.06 0.00 1.73 2.05 0.00 3.18 0.00 0.00 3.28 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 92 G 8.08 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.02 5.44 0.00 2.91 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 94 T 9.04 4.78 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 1.39 0.00 0.00 95 L 9.28 5.44 0.00 1.84 1.48 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.11 5.40 1.86 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.96 0.95 0.00 0.00 97 A 8.75 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.68 5.10 0.00 1.44 1.42 0.83 0.32 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 99 R 8.76 4.41 0.00 1.75 1.87 0.00 3.16 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 100 E 8.54 4.02 0.00 2.06 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 2.32 2.29 0.00 101 N 8.85 4.46 0.00 2.94 2.99 0.00 0.00 6.96 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 0.00 102 R 7.48 4.55 0.00 1.87 1.95 0.00 3.15 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 103 E 8.47 4.09 0.00 2.08 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 2.27 0.00 104 G 8.33 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 0.00 0.00 0.00 105 D 8.14 4.92 0.00 2.86 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 0.00 106 K 7.75 4.74 0.00 1.93 2.00 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.33 7.81 107 E 8.94 4.00 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 108 E 8.13 4.20 0.00 2.13 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 2.29 2.29 0.00 109 D 8.26 4.45 0.00 2.83 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 0.00 110 H 8.12 4.91 0.00 3.31 3.29 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.70 4.68 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 0.00 112 G 8.64 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.25 4.55 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 1.20 0.00 0.00 114 F 9.06 5.39 0.00 3.41 3.22 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 0.00 115 Q 9.79 4.94 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 116 I 8.67 4.07 1.77 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.37 0.84 0.00 0.00 117 I 8.33 4.10 1.85 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.20 0.80 0.00 0.00 118 D 7.55 4.79 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.50 4.24 0.00 2.05 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 2.32 0.00 120 E 8.09 4.21 0.00 1.97 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 2.30 2.26 0.00 121 E 8.33 4.81 0.00 1.89 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 2.20 2.34 0.00 122 T 7.76 5.39 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 1.40 0.00 0.00 123 Q 8.61 4.41 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 124 F 8.16 4.97 0.00 2.98 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 0.00 125 M 9.09 4.11 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 126 S 9.03 4.13 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.05 4.99 0.00 2.96 3.09 0.00 0.00 5.68 7.68 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 0.00 128 C 7.73 5.04 0.00 2.99 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 0.00 129 P 0.00 4.33 0.00 1.67 1.81 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.77 0.00 130 V 7.46 3.85 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 0.63 0.00 0.00 0.70 0.00 0.00 131 A 8.19 5.10 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 0.00 132 V 8.35 4.74 1.85 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 0.97 0.00 0.00 0.69 0.00 0.00 133 T 8.85 4.38 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 1.07 0.00 0.00 134 E 7.83 4.68 0.00 2.13 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 2.28 2.36 0.00 135 S 8.68 4.52 0.00 3.89 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 0.00 136 T 7.60 4.61 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 1.20 0.00 0.00 137 P 0.00 4.43 0.00 2.20 2.14 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 138 R 8.02 4.70 0.00 1.71 1.74 0.00 3.09 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 139 R 8.36 4.48 0.00 1.40 1.40 0.00 2.61 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 1.25 1.40 0.00 140 R 8.97 4.67 0.00 0.97 1.33 0.00 3.11 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 141 T 8.26 4.52 4.42 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 1.27 0.00 0.00 142 R 7.66 5.38 0.00 1.82 1.79 0.00 3.18 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 143 I 8.99 4.90 1.75 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.13 0.97 0.00 0.00 144 Q 8.33 4.98 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.83 0.00 0.00 0.00 0.00 0.00 2.15 2.32 0.00 145 V 8.66 4.50 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 0.61 0.00 0.00 1.01 0.00 0.00 146 F 8.98 5.57 0.00 3.15 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 0.00 147 W 9.76 5.44 0.00 3.49 3.24 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 0.00 148 I 8.30 4.49 1.60 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.63 0.70 0.00 0.00 149 A 8.27 2.79 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 0.00 150 P 0.00 4.69 0.00 2.09 2.19 0.00 2.70 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 151 P 0.00 4.58 0.00 2.22 2.02 0.00 3.60 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 2.10 2.06 0.00 152 A 8.35 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 0.00 153 G 9.44 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 0.00 0.00 0.00 0.00 154 T 7.53 3.94 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 155 G 8.55 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 8.65 4.84 0.00 3.05 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 0.00 157 V 9.29 5.01 2.05 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 0.74 0.00 0.00 1.01 0.00 0.00 158 I 8.70 4.81 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.86 0.00 0.00 159 L 8.65 4.64 0.00 1.43 1.46 0.56 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.36 5.22 0.00 1.60 1.83 0.00 1.41 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.30 7.81 161 A 8.96 5.45 1.14 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 0.00 0.00 162 S 8.89 4.67 0.00 2.72 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 0.00 163 I 8.04 5.02 1.45 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.54 0.40 0.00 0.00 164 V 8.51 4.30 2.05 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 0.93 0.00 0.00 0.84 0.00 0.00 165 Q 9.09 4.51 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 166 K 8.37 4.53 0.00 1.74 1.80 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.33 7.81 167 R 7.24 4.56 0.00 1.85 1.92 0.00 2.92 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 168 I 7.84 4.46 1.70 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 0.75 0.74 0.48 0.00 0.00 169 I 8.17 4.09 1.63 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.82 0.00 0.00 170 Y 8.03 4.73 0.00 2.87 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 0.00 171 F 8.66 4.47 0.00 2.99 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 0.00 172 Q 8.62 4.76 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 173 D 8.69 4.53 0.00 2.66 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 0.00 174 E 7.83 4.55 0.00 2.02 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 2.22 2.23 0.00 175 G 8.06 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 0.00 0.00 0.00 176 S 8.18 4.32 0.00 4.18 4.34 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 0.00 177 L 7.69 4.87 0.00 1.57 1.78 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 178 T 7.61 5.19 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 0.00 179 K 9.15 4.55 0.00 1.50 1.58 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.47 7.81 180 K 8.72 4.85 0.00 1.75 1.70 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.46 7.81 181 L 9.08 4.88 0.00 1.62 1.79 0.71 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.74 5.24 0.00 2.86 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 0.00 183 E 8.21 3.98 0.00 1.75 1.61 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 1.68 2.03 0.00 184 Q 8.05 3.34 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.65 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.