NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4213 8.1749 115.4720 62.1528 68.7730 172.6382 3 Y 4.9276 8.9165 124.0495 55.9353 41.4485 172.9959 4 N 5.4769 9.5373 120.9794 52.0638 41.3609 173.5051 5 I 5.0982 9.2513 124.2233 59.2848 41.1971 174.0280 6 I 5.1285 9.0813 129.9521 59.6156 40.6372 174.4598 7 L 5.0448 9.0562 128.0777 53.8153 42.6810 175.8492 8 A 5.1871 9.1921 126.2416 49.7445 22.6743 175.6188 9 K 4.0540 9.0882 115.1270 57.2741 30.3119 176.0205 10 S 4.4781 8.4492 114.0465 58.8168 64.0459 175.3182 11 A 4.7204 9.0809 128.9114 52.2632 17.5404 178.3330 12 L 4.7824 7.6783 122.9747 53.7304 44.4581 175.8387 13 E 4.8983 8.4803 124.3076 54.3198 34.2600 175.1709 14 L 4.6632 8.5575 122.1209 54.5167 42.8491 177.0134 15 I 3.7723 8.2144 122.4651 61.0781 37.6518 174.7381 16 P 4.2799 0.0000 0.0000 62.6003 31.9860 176.6648 17 E 3.9297 9.1253 123.1981 59.6370 29.4886 178.8665 18 E 4.1367 8.1883 116.2310 58.2898 29.8521 177.2702 19 I 4.5759 7.8324 110.7082 60.0064 38.5074 177.2102 20 K 3.9050 8.0076 123.3765 59.9050 31.9248 178.5126 21 N 4.4957 8.0872 113.9208 54.3272 37.5979 175.5127 22 K 4.4006 7.7581 117.2263 56.2560 32.9757 176.1505 23 I 4.5822 7.4117 120.0689 59.3104 39.8588 175.0402 24 R 4.7254 8.3171 123.2277 53.6306 33.2404 175.6948 25 K 4.0000 8.6312 120.5827 56.9675 32.7946 176.2240 26 S 4.8336 8.5048 116.2172 56.2877 66.2329 175.1056 27 R 4.0547 8.4712 118.4866 58.9402 30.0989 178.7160 28 V 3.7921 7.8721 116.9137 65.5859 31.9000 175.0582 29 Y 4.0100 8.1334 122.0657 56.2740 39.3681 174.3942 30 K 4.2029 7.2971 123.9360 55.7924 33.3382 176.4925 31 Y 4.3594 6.3463 117.0809 57.4776 39.1370 174.6191 32 D 4.8176 10.1877 123.5674 54.7493 40.8782 175.5381 33 I 4.9034 7.5949 120.3244 59.5680 38.7335 175.3856 34 L 4.2853 8.9624 129.9992 55.3440 43.3556 175.3239 35 D 5.1582 8.7922 125.5358 52.7410 43.6961 175.9176 36 S 4.3199 9.2653 122.4513 60.6655 63.2589 175.2867 37 N 4.2618 8.6177 119.7070 55.7465 38.7555 174.8331 38 Y 4.5077 7.7369 113.3320 58.1587 40.3649 175.9205 39 H 5.0211 8.2770 115.4472 55.5728 29.7018 174.9624 40 Y 4.2141 8.4315 122.5139 60.7602 38.6724 177.6387 41 K 3.9866 8.2676 118.6681 59.3491 32.5647 179.0495 42 A 4.1769 7.2050 121.8603 51.6013 17.2676 178.0865 *44 E 4.1493 8.2877 122.3032 56.9417 31.3279 176.4776 45 K 4.4525 7.7255 113.7747 55.7557 32.6691 175.7301 46 L 4.0743 7.5308 122.3490 54.1071 42.6388 176.2101 47 K 3.8723 8.6274 126.8042 58.3077 32.9017 175.3934 48 D 4.9170 9.2025 122.4085 53.4057 38.7170 175.8176 49 K 3.8663 7.5886 120.5066 60.1386 32.3762 177.8452 50 E 4.1492 7.6715 116.0743 56.3010 29.0076 176.5990 *52 R 4.1578 7.8731 117.1711 58.0824 31.5074 174.7121 53 G 4.0355 8.5993 103.8541 47.4489 0.0000 174.3043 54 R 4.8586 8.0039 113.9260 53.3189 31.1350 175.2789 55 P 4.6390 0.0000 0.0000 65.3230 31.9114 178.1910 56 D 4.4977 8.4579 118.1179 56.4302 39.2071 178.3926 57 I 4.0773 7.8330 121.0202 64.5495 37.0655 178.4513 58 I 3.8392 7.8927 120.0184 64.5443 37.0311 177.3586 59 H 3.1868 8.0831 119.0180 59.4480 29.5607 177.2501 60 I 3.3781 7.6645 121.0338 64.2255 36.7784 178.6189 61 S 4.2343 8.1581 116.0198 61.8519 62.6403 176.9212 62 L 4.0230 8.2539 121.7912 57.5371 41.2510 179.3279 63 L 3.9350 7.9965 119.2059 57.8771 41.2902 179.4578 64 N 4.4573 7.8372 115.0298 56.3579 38.8623 177.2429 65 I 3.7952 7.8803 121.2298 64.5784 37.0624 178.6907 66 L 3.9697 8.0304 118.3213 57.3436 41.5393 177.6225 67 D 4.6323 7.5231 114.4353 54.0833 41.7283 177.0622 68 S 4.5431 7.7938 114.7371 58.4029 64.9246 172.9768 69 P 4.3272 0.0000 0.0000 66.2038 31.1723 178.6004 70 I 3.6333 7.3671 116.0002 64.2364 37.7479 177.3746 71 N 4.3726 7.9452 117.8378 56.7917 38.5827 176.6940 72 H 4.3011 8.0989 116.8841 58.6133 28.8572 176.7218 73 E 4.2550 8.2163 117.6966 55.8549 29.4638 176.7736 74 K 3.9100 7.8551 117.4011 57.7514 30.1194 176.1152 75 K 4.6168 8.0622 115.8034 56.1516 33.2345 175.8095 76 L 5.4151 7.9041 119.6369 53.0326 44.9649 175.3686 77 N 4.9349 9.6719 120.6533 51.5981 41.1687 173.7691 78 I 4.9672 7.8793 123.6649 59.6763 40.4522 174.0919 79 Y 5.2144 9.0558 123.8071 56.2687 42.3853 174.4332 80 I 4.8562 9.0090 124.6138 60.1206 39.5472 173.9270 81 H 5.4434 9.5626 128.6577 54.8383 31.8617 174.2048 82 T 4.9790 8.2678 115.4921 59.9163 71.3320 174.8476 83 Y 4.0116 8.7602 123.5045 60.5488 38.7050 176.6567 84 D 4.7714 8.1420 116.8221 53.3118 40.1289 175.7271 85 D 4.4673 7.8543 115.8579 56.7963 38.8807 173.2167 86 K 4.8512 7.9034 117.5544 54.6362 36.0003 177.1260 87 V 4.9548 8.9524 122.5985 61.2627 34.0368 174.5928 88 L 4.9079 9.1890 128.6254 53.0881 43.8854 175.2944 89 K 4.5773 9.2243 126.7369 55.2928 33.7172 175.1605 90 I 4.4133 8.0584 129.3954 59.4385 38.2555 175.3943 91 N 4.2880 9.1345 127.6963 53.1526 39.1891 174.0343 92 P 4.2418 0.0000 0.0000 65.5672 31.5533 176.7355 93 E 4.4523 8.4943 115.1727 56.0090 29.6668 176.3211 94 T 3.7292 7.7646 117.0337 64.3606 68.7489 174.1065 95 R 4.3714 8.3704 125.6905 54.4042 29.7806 175.1578 96 L 4.3463 8.1856 125.0353 53.2434 42.9858 174.9534 97 P 4.4165 0.0000 0.0000 63.1485 31.7690 176.8512 98 R 4.1077 8.5608 121.2170 58.4047 30.6707 177.0092 99 N 4.5876 8.0974 117.2797 52.9294 40.0298 174.2732 100 Y 4.1805 8.8704 128.8743 61.2925 38.8943 178.3819 101 F 3.9485 8.3975 117.9156 60.3757 39.0792 177.7504 102 R 3.9076 8.2992 117.6563 59.1065 29.6603 178.5665 103 F 4.0570 8.1865 119.5583 61.5049 39.3727 176.8159 104 L 3.5879 7.3222 116.9247 57.3882 41.1850 179.4362 105 G 3.8085 7.5122 105.5415 47.7101 0.0000 176.0624 106 V 3.5419 7.3124 116.4918 63.7278 31.2133 176.8645 *108 E 4.1591 8.0314 119.2483 56.0089 31.4391 177.9505 109 K 3.9318 7.6920 117.7542 59.3917 32.0688 179.2914 110 V 3.5422 7.5464 118.2663 66.3030 31.2189 178.1641 111 L 4.1286 7.7988 116.1117 56.9400 41.6132 178.3853 112 K 4.3845 7.6995 116.0555 56.0711 32.2691 177.5072 113 G 3.9367 7.8968 107.7914 45.3568 0.0000 173.6741 114 E 4.1684 7.7819 119.2457 55.4154 30.0520 177.1704 115 R 4.0017 8.5097 122.6288 56.3200 30.5458 175.6272 116 N 4.9834 8.5476 120.5580 51.7121 41.3778 174.6179 117 H 4.4336 9.1095 121.2156 57.6439 29.1922 175.9413 118 L 4.3495 8.2592 119.4534 54.7992 42.5602 175.6647 119 I 5.0121 7.4898 117.3636 59.6179 40.2136 174.8181 120 K 4.4708 8.5354 129.4343 54.5852 35.5363 174.3539 *122 E 4.4401 8.4077 118.5496 55.9772 31.2320 175.4894 123 E 4.5408 8.7847 122.5197 56.5954 30.1478 176.3933 124 K 4.3751 8.6239 122.8270 55.9310 36.1112 175.0945 125 T 4.5703 8.2199 116.8655 60.2673 70.2171 175.3147 126 L 3.7018 8.2573 123.3209 58.2187 42.0523 178.8461 127 E 3.8857 7.9915 117.9903 59.5865 29.4159 178.8842 128 D 4.3539 8.0998 118.8409 57.1234 40.8577 178.5827 129 L 3.8147 7.9813 120.7914 58.1693 42.0340 178.9111 130 L 3.9277 7.9194 118.8499 58.0391 41.5805 179.4640 131 N 4.4796 8.1559 116.1637 56.3644 38.3068 177.3698 132 E 4.0197 8.1962 119.3681 59.2118 29.7044 178.7361 133 I 3.9595 7.5907 109.6814 60.3494 38.3544 174.9325 134 N 4.0669 8.1200 117.7602 54.5005 37.5642 174.1992 135 A 4.2957 8.1618 120.2836 52.3928 19.6158 178.0757 136 K 4.3300 9.3372 120.3688 57.3704 35.5017 176.1376 137 K 4.8095 9.4906 123.8080 54.7467 33.7707 174.6047 138 I 4.8644 8.9991 126.6117 59.4090 39.6278 174.6534 139 A 4.6497 8.6528 129.3721 50.6773 20.8393 176.1316 140 I 4.5712 8.2379 126.2503 60.4422 40.8074 174.8620 *142 T 4.2566 8.2782 115.7815 62.1681 67.9774 175.8786 143 K 4.0583 8.5852 126.6653 59.6993 32.7128 177.9003 144 T 4.0468 7.4457 107.8681 62.7432 69.1006 174.7543 145 G 3.9350 7.5661 110.1494 45.2096 0.0000 173.1322 146 K 4.2099 8.3936 121.2178 55.9323 33.1596 175.8944 147 L 4.5889 8.6430 130.0214 55.8114 42.7553 175.9983 148 T 4.7337 9.4331 123.7730 61.5861 72.2958 173.3470 149 H 4.1885 8.9457 126.1591 55.5105 30.7642 174.1712 150 P 4.3074 0.0000 0.0000 64.8646 30.9027 178.3759 151 K 4.0752 8.2210 117.7427 59.0229 32.4796 177.5753 152 L 4.4381 8.2639 117.9018 55.6607 41.9239 178.5637 153 L 4.4612 7.8314 119.3637 57.6665 41.3085 179.1445 154 K 4.3468 8.2150 116.8378 58.8309 32.1430 177.5437 155 E 4.1569 8.3739 117.3395 57.7297 29.7143 176.2773 156 Y 4.6003 7.9934 116.6444 56.5105 39.9256 174.9482 157 D 4.9064 8.5933 120.6866 54.3616 41.8649 176.3252 158 T 5.0580 7.3735 115.4298 61.6731 72.9370 172.7284 159 F 5.3360 9.3189 124.6234 55.6634 42.3992 174.1699 160 I 5.0511 8.6819 123.9959 59.5876 39.6048 175.1184 161 I 4.4828 8.9603 127.8425 58.8794 40.7164 175.1874 162 G 3.2254 8.6091 114.4928 45.5879 0.0000 173.9673 163 G 4.3280 8.7254 117.2057 45.6418 0.0000 172.7341 164 F 5.4958 7.0150 112.4566 54.3421 41.5449 172.9038 165 P 4.5149 0.0000 0.0000 65.1177 31.7170 176.0089 166 Y 4.8137 8.2385 117.1000 56.4047 42.2270 173.9949 167 G 3.3091 7.9412 108.9879 43.6516 0.0000 172.4651 168 K 4.6641 7.8904 118.7782 54.0689 35.3467 176.6736 169 L 4.2415 8.8461 127.4175 55.0280 42.4945 175.9893 170 K 4.5760 8.5526 125.6267 54.6415 33.8020 175.5806 171 I 4.4746 7.9515 122.6337 59.0673 41.1586 174.6832 172 N 4.5977 9.0361 126.3104 52.2832 37.4843 175.5953 173 K 4.0777 8.2844 125.3779 58.6353 32.5089 179.1589 174 E 4.0348 7.9176 117.4617 57.9277 29.4864 177.4982 175 K 4.1488 7.7167 116.8174 55.8189 32.6684 176.0866 176 V 4.3449 6.8380 119.8988 60.7629 33.1062 175.5714 177 F 4.3359 9.1989 127.0780 60.4783 38.9837 176.3176 178 G 4.0042 7.8284 105.8604 45.3255 0.0000 172.5892 179 D 4.7920 9.3084 120.8242 53.5618 42.5808 174.9505 180 I 4.9176 8.3890 126.4773 59.6064 39.1695 174.9357 181 K 4.6536 8.9371 126.8730 54.4382 35.3672 175.2540 182 E 4.6865 8.7891 124.7954 56.0974 30.7149 175.5953 183 I 4.9276 8.8159 125.8448 59.4496 40.2716 174.9017 184 S 4.9555 9.2121 121.8390 56.5144 64.5378 174.2968 185 I 4.6367 8.0414 117.2745 59.6987 38.5837 174.5132 186 Y 4.8142 7.5220 119.6989 56.9716 41.8311 174.4733 187 N 4.3767 8.0150 122.8912 53.9543 37.7772 174.5537 188 K 4.4805 6.4871 118.9465 53.8876 34.8682 175.5287 189 G 3.8210 8.5497 112.7783 45.7345 0.0000 172.5448 190 L 4.4188 7.8238 122.3130 54.9038 41.6908 177.6409 *192 A 4.1920 8.7242 130.0863 52.6704 20.1388 179.2144 193 W 4.2018 7.4340 113.0567 59.9395 28.0384 178.6927 194 T 3.8860 7.1682 116.1828 66.2887 67.9228 176.7156 195 V 3.4275 7.4425 119.6070 66.1123 31.5908 177.4295 196 C 3.9828 8.1683 116.7457 62.8478 27.9896 176.4118 197 G 3.1901 8.1047 107.0780 47.7398 0.0000 175.7143 198 I 3.6536 7.7416 122.7611 63.9110 36.9726 178.4926 199 I 3.3255 7.5364 120.5804 64.5808 36.4166 178.2032 200 C 3.8449 7.6647 117.3588 63.0475 28.0282 175.8273 201 Y 4.2614 7.5429 117.9436 60.7613 37.3379 177.9937 202 S 4.2210 8.1020 115.8402 61.6358 62.9274 176.3407 203 L 4.0227 7.2843 120.6719 56.9028 41.4500 178.6791 204 S 4.2067 7.1043 113.5192 59.1257 63.1988 174.1859 205 F 4.6649 7.7619 123.9484 57.6258 39.5878 174.4967 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.17 4.42 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 1.20 0.00 0.00 3 Y 8.92 4.93 0.00 3.07 3.10 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 4 N 9.54 5.48 0.00 2.72 2.96 0.00 0.00 6.45 6.75 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 5 I 9.25 5.10 2.00 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 1.29 1.59 0.97 0.00 0.00 6 I 9.08 5.13 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 1.00 0.00 0.00 7 L 9.06 5.04 0.00 1.69 1.68 0.98 0.46 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 8 A 9.19 5.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.09 4.05 0.00 2.25 2.03 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.52 7.81 10 S 8.45 4.48 0.00 4.02 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 11 A 9.08 4.72 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.68 4.78 0.00 1.76 1.69 1.01 1.02 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 13 E 8.48 4.90 0.00 1.96 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 2.41 2.43 0.00 14 L 8.56 4.66 0.00 1.55 1.62 0.96 0.85 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 15 I 8.21 3.77 1.88 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 1.19 0.62 0.88 0.00 0.00 16 P 0.00 4.28 0.00 2.16 2.07 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 17 E 9.13 3.93 0.00 2.05 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 2.43 0.00 18 E 8.19 4.14 0.00 1.97 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 2.32 2.37 0.00 19 I 7.83 4.58 1.93 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 1.28 0.78 0.92 0.00 0.00 20 K 8.01 3.91 0.00 1.94 1.91 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.56 7.81 21 N 8.09 4.50 0.00 2.80 2.94 0.00 0.00 5.94 7.13 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 22 K 7.76 4.40 0.00 1.91 1.87 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.37 7.81 23 I 7.41 4.58 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.75 0.00 0.00 24 R 8.32 4.73 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 25 K 8.63 4.00 0.00 1.71 1.69 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.41 7.81 26 S 8.50 4.83 0.00 4.01 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 27 R 8.47 4.05 0.00 1.85 2.04 0.00 3.22 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 28 V 7.87 3.79 2.23 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 1.08 0.00 0.00 1.05 0.00 0.00 29 Y 8.13 4.01 0.00 2.38 2.51 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 30 K 7.30 4.20 0.00 1.53 1.67 0.00 0.82 0.00 0.00 2.03 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.41 0.21 7.81 31 Y 6.35 4.36 0.00 2.28 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 10.19 4.82 0.00 2.76 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 33 I 7.59 4.90 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 1.05 0.00 0.00 34 L 8.96 4.29 0.00 1.82 1.63 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.79 5.16 0.00 2.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 9.27 4.32 0.00 4.23 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 37 N 8.62 4.26 0.00 2.57 2.67 0.00 0.00 7.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.74 4.51 0.00 2.27 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 39 H 8.28 5.02 0.00 3.25 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.43 4.21 0.00 3.11 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 41 K 8.27 3.99 0.00 1.83 1.86 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.44 7.81 42 A 7.20 4.18 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 *44 E 8.29 4.15 0.00 2.13 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 2.12 2.21 0.00 45 K 7.73 4.45 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.30 7.81 46 L 7.53 4.07 0.00 1.65 1.45 0.88 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 7.09 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 65 I 7.88 3.80 1.86 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 1.46 0.65 0.89 0.00 0.00 66 L 8.03 3.97 0.00 1.71 1.73 0.95 1.22 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 D 7.52 4.63 0.00 2.69 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 68 S 7.79 4.54 0.00 4.24 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 0.00 69 P 0.00 4.33 0.00 2.10 2.20 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 70 I 7.37 3.63 1.79 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 1.40 1.29 0.91 0.00 0.00 71 N 7.95 4.37 0.00 2.86 2.83 0.00 0.00 7.16 8.49 0.00 0.00 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 H 8.10 4.30 0.00 3.35 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 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1.81 1.89 0.00 3.15 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 116 N 8.55 4.98 0.00 2.65 2.82 0.00 0.00 6.97 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 0.00 117 H 9.11 4.43 0.00 3.32 3.41 0.00 5.56 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.26 4.35 0.00 1.73 1.66 0.86 0.65 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 0.00 119 I 7.49 5.01 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 1.11 0.58 0.91 0.00 0.00 120 K 8.54 4.47 0.00 1.90 1.70 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.48 7.81 *122 E 8.41 4.44 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 123 E 8.78 4.54 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 124 K 8.62 4.38 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.33 7.81 125 T 8.22 4.57 4.33 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 1.20 0.00 0.00 126 L 8.26 3.70 0.00 1.30 1.54 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 127 E 7.99 3.89 0.00 2.03 1.90 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 2.45 2.40 0.00 128 D 8.10 4.35 0.00 2.89 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 0.00 129 L 7.98 3.81 0.00 1.66 1.74 0.35 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.92 3.93 0.00 1.87 1.69 0.88 0.51 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 0.00 131 N 8.16 4.48 0.00 2.86 3.13 0.00 0.00 7.07 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 0.00 132 E 8.20 4.02 0.00 2.08 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 2.35 2.46 0.00 133 I 7.59 3.96 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.47 0.71 0.00 0.00 134 N 8.12 4.07 0.00 2.84 2.88 0.00 0.00 7.07 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 0.00 135 A 8.16 4.30 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 9.34 4.33 0.00 1.88 1.79 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.55 7.81 137 K 9.49 4.81 0.00 1.60 1.66 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.33 7.81 138 I 9.00 4.86 1.97 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 1.14 0.75 0.87 0.00 0.00 139 A 8.65 4.65 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.24 4.57 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 1.09 0.52 0.91 0.00 0.00 *142 T 8.28 4.26 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 0.00 143 K 8.59 4.06 0.00 1.87 1.91 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.40 7.81 144 T 7.45 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 145 G 7.57 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 0.00 146 K 8.39 4.21 0.00 1.90 1.72 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.41 7.81 147 L 8.64 4.59 0.00 1.70 1.60 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 148 T 9.43 4.73 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 1.31 0.00 0.00 149 H 8.95 4.19 0.00 3.19 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.74 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 4.31 0.00 2.16 2.03 0.00 3.22 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 151 K 8.22 4.08 0.00 1.93 1.93 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.60 7.81 152 L 8.26 4.44 0.00 2.04 1.85 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.83 4.46 0.00 1.81 1.78 0.76 0.65 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 0.00 154 K 8.21 4.35 0.00 1.85 2.03 0.00 1.86 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.51 7.81 155 E 8.37 4.16 0.00 1.78 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 2.33 2.39 0.00 156 Y 7.99 4.60 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 0.00 157 D 8.59 4.91 0.00 2.77 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 0.00 158 T 7.37 5.06 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 1.20 0.00 0.00 159 F 9.32 5.34 0.00 2.91 2.86 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 0.00 160 I 8.68 5.05 1.88 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 1.24 0.61 0.94 0.00 0.00 161 I 8.96 4.48 1.83 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 1.08 0.51 0.78 0.00 0.00 162 G 8.61 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 0.00 0.00 0.00 163 G 8.73 4.33 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 0.00 164 F 7.02 5.50 0.00 3.11 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 0.00 165 P 0.00 4.51 0.00 2.36 2.34 0.00 4.00 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 166 Y 8.24 4.81 0.00 2.95 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 0.00 167 G 7.94 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 K 7.89 4.66 0.00 1.61 1.59 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.41 7.81 169 L 8.85 4.24 0.00 1.87 1.67 1.19 0.64 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 0.00 170 K 8.55 4.58 0.00 1.74 1.69 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.38 7.81 171 I 7.95 4.47 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 1.26 0.99 0.90 0.00 0.00 172 N 9.04 4.60 0.00 2.72 2.65 0.00 0.00 7.06 6.06 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 0.00 173 K 8.28 4.08 0.00 1.83 1.82 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.61 7.81 174 E 7.92 4.03 0.00 2.03 1.94 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 2.31 2.24 0.00 175 K 7.72 4.15 0.00 1.80 1.71 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.27 7.81 176 V 6.84 4.34 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 0.84 0.00 0.00 0.89 0.00 0.00 177 F 9.20 4.34 0.00 3.08 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 0.00 178 G 7.83 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 0.00 0.00 0.00 179 D 9.31 4.79 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 8.39 4.92 1.87 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 1.34 0.75 0.91 0.00 0.00 181 K 8.94 4.65 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.75 7.81 182 E 8.79 4.69 0.00 1.92 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 2.38 2.33 0.00 183 I 8.82 4.93 1.77 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 1.11 0.59 0.88 0.00 0.00 184 S 9.21 4.96 0.00 3.99 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 0.00 185 I 8.04 4.64 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 1.22 1.08 0.93 0.00 0.00 186 Y 7.52 4.81 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 0.00 187 N 8.02 4.38 0.00 2.67 2.69 0.00 0.00 5.83 7.13 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 0.00 188 K 6.49 4.48 0.00 1.49 1.81 0.00 1.86 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.31 7.81 189 G 8.55 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.82 4.42 0.00 1.51 0.68 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 *192 A 8.72 4.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 W 7.43 4.20 0.00 3.49 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 T 7.17 3.89 3.98 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 0.00 0.00 1.12 0.00 0.00 195 V 7.44 3.43 2.07 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 1.04 0.00 0.00 0.79 0.00 0.00 196 C 8.17 3.98 0.00 3.14 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 0.00 197 G 8.10 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 0.00 0.00 0.00 198 I 7.74 3.65 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.82 0.00 0.00 199 I 7.54 3.33 1.65 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.74 -0.04 0.00 0.00 200 C 7.66 3.84 0.00 2.52 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 0.00 201 Y 7.54 4.26 0.00 3.09 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 0.00 202 S 8.10 4.22 0.00 3.92 3.98 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 0.00 0.00 0.00 203 L 7.28 4.02 0.00 1.48 1.44 0.26 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 204 S 7.10 4.21 0.00 2.72 2.63 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 0.00 205 F 7.76 4.66 0.00 3.19 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 * Residues marked with a * may have inaccurate shift predictions.