NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.6885 8.3101 122.0792 56.3941 33.5646 174.5965 3 A 4.4466 8.9274 128.6378 49.5692 22.3223 172.9872 4 N 5.0017 9.2912 120.8873 51.2159 41.6486 172.1513 5 L 5.2217 8.9580 123.6123 52.8345 44.9077 175.0477 6 L 5.3407 9.0102 125.2324 53.9120 43.9789 176.1777 7 C 4.7522 9.4247 123.3970 59.1651 29.3821 174.1609 8 G 3.9087 7.0920 105.0570 46.1539 0.0000 172.4138 9 N 4.8940 8.4638 118.4394 52.4923 37.3534 174.1793 10 R 4.2855 7.9416 118.3655 57.0088 31.3638 176.1944 11 N 4.9228 8.9388 117.8819 54.0082 36.4523 173.9370 12 L 4.4782 7.2679 117.2203 53.8608 42.5738 175.6454 13 P 4.4005 0.0000 0.0000 62.0569 31.9369 176.1695 14 K 3.9795 8.4541 121.9752 58.6842 32.9055 176.5678 15 H 4.1434 8.9245 116.8448 56.6562 26.6943 176.3332 16 I 3.5147 7.4541 121.1628 64.0729 37.2842 177.7364 17 L 3.7904 7.5682 118.5664 56.9486 41.7807 178.9023 18 V 3.7056 7.5203 117.8584 65.9717 31.4925 177.8939 19 E 4.1436 8.2911 116.9744 58.5714 29.4741 177.2176 20 H 5.1416 7.7597 115.1907 55.0943 29.9495 175.4883 21 K 3.9083 7.8808 123.7927 59.4503 31.9145 176.9781 22 H 4.7576 7.9948 112.8075 55.6983 29.2637 174.6507 23 E 4.2454 8.0061 119.9237 55.6529 30.5037 175.4526 24 H 4.6678 8.3650 116.8505 55.5057 29.8996 174.8220 25 W 5.1301 8.8774 123.0251 54.8190 32.4199 174.4915 26 I 4.4152 9.0916 125.1087 59.3102 39.6054 174.6370 27 G 4.3049 8.4559 114.0048 44.7319 0.0000 172.4060 28 I 4.9091 8.6674 126.1255 59.2940 40.0786 176.2121 29 D 4.2786 9.6908 129.1920 55.2772 40.6597 178.2936 30 R 4.1472 8.9052 130.0343 59.8806 29.5670 177.8110 31 G 3.6859 8.2559 105.9878 48.0039 0.0000 175.4243 32 T 3.8211 7.7401 117.4070 66.9269 68.4933 176.4989 33 L 4.0225 7.8534 119.8120 57.8106 41.5426 179.6038 34 I 3.6551 7.5646 119.9762 64.0735 36.9295 178.3382 35 L 3.6869 7.9368 119.8862 57.7648 41.4792 179.4136 36 L 4.1594 7.5252 119.5281 57.4502 41.4062 179.5563 37 E 4.0231 8.1140 117.0703 59.2234 29.4120 178.6894 38 S 4.4966 7.4629 112.5878 57.8293 63.0144 174.4147 39 G 3.8300 8.3924 109.9291 46.4547 0.0000 173.4876 40 I 4.2976 7.7016 120.5114 59.2786 38.9118 175.1602 41 T 4.6120 8.3476 122.2430 61.4640 68.7664 173.0445 42 P 4.6378 0.0000 0.0000 62.2104 32.0515 176.8946 43 Q 4.1923 8.8270 122.4928 58.9603 29.1245 176.6679 44 F 5.0193 7.0261 109.5190 56.6473 40.6329 172.8399 45 A 5.2098 9.0987 120.9594 50.4148 23.0416 175.1994 46 V 4.7247 9.1306 119.6005 61.6490 34.7935 174.2947 47 G 4.4793 8.9966 114.3470 43.8049 0.0000 173.5497 48 D 4.7363 8.3827 120.1478 51.8535 41.0040 177.1549 49 F 5.0468 7.2916 116.9964 54.3499 41.0058 174.0983 50 D 4.5711 8.7872 124.4119 53.6670 40.4180 176.0288 *51 S 4.8507 8.2669 115.4845 56.5465 66.1343 174.6682 52 I 4.6345 8.7571 117.2264 60.2280 39.2409 175.7858 53 S 4.6988 7.4702 111.9974 57.4731 65.8412 177.0692 54 D 4.3987 8.2641 123.9682 57.7819 40.6735 179.0224 55 S 4.1602 8.2345 115.1379 62.2273 62.7401 176.0704 56 E 4.0995 8.0579 121.3123 58.9460 29.4658 178.3441 57 R 4.1257 8.4180 118.5397 59.8412 29.9351 178.1435 58 N 4.3436 8.7184 115.9740 56.7506 39.1454 176.2686 59 F 4.5759 8.1060 121.4957 61.5261 39.4415 176.9916 60 I 3.1813 8.1949 119.5415 63.8035 37.0940 177.2187 61 Q 4.7201 8.4349 119.5611 55.6602 29.6606 175.5016 62 Q 4.7295 7.6145 115.1056 56.6238 34.4409 174.5723 63 Q 4.5638 7.7791 114.7235 55.1496 31.1854 175.4182 64 I 4.2449 7.4372 116.2444 62.5785 39.5005 175.0963 65 E 4.5226 8.8854 122.4534 55.9647 29.6110 175.9358 66 I 4.5602 8.2824 119.7163 59.4406 40.4336 175.3758 67 N 5.0664 8.1506 116.5791 50.5070 38.7028 172.6978 68 P 4.3200 0.0000 0.0000 62.9696 32.3510 176.3371 69 Y 4.3576 8.5312 123.4602 57.0603 39.1437 173.5207 70 N 4.2041 7.7414 126.7348 53.7585 42.1112 173.2975 *74 D 4.5827 9.1991 117.9024 54.0536 42.8842 177.1885 75 D 4.6493 6.0500 109.9554 53.6018 42.8439 176.8498 76 T 4.2334 8.0947 112.2813 61.4550 70.9335 175.3404 77 D 4.4072 8.5275 120.8956 57.4186 40.8000 178.8403 78 L 4.0810 7.9102 120.2869 58.0352 42.1907 178.7199 79 A 4.1059 8.0282 120.5539 54.8791 18.2094 179.7428 80 L 4.0664 7.9899 117.4649 57.9185 41.8831 179.6028 81 G 3.8960 8.2816 105.7157 48.1027 0.0000 175.6022 82 I 3.6802 7.8894 121.9552 64.1796 37.1459 177.7627 83 D 4.5112 8.1888 118.6874 57.9192 40.8685 178.6677 84 Q 3.9486 8.9603 118.2361 58.6120 28.5685 178.6546 85 A 4.3641 8.0646 121.9814 55.1208 18.6530 179.8314 86 V 3.8461 8.2937 117.0963 66.0399 31.3418 178.4565 87 K 4.1291 8.2588 117.8372 58.8568 31.9341 178.4798 88 R 4.3855 7.3945 115.6628 55.9467 30.2578 177.1752 89 G 3.8371 7.7026 106.9214 45.3479 0.0000 173.2323 90 Y 4.1793 7.7237 118.0391 57.7641 38.3147 175.3357 91 R 4.3898 8.7463 124.8366 56.8879 32.5683 175.0343 92 N 5.3643 8.1574 116.6440 51.4092 41.2042 173.7485 93 I 4.8093 8.7449 125.3535 59.4346 40.5722 174.3185 94 D 5.0206 8.8335 127.2506 52.4983 43.3688 175.3074 95 V 4.4775 8.6451 124.9818 61.6080 33.2114 174.3532 96 Y 5.1219 8.7625 125.6011 56.4070 41.2820 177.0542 97 G 3.8634 9.2640 108.7316 46.0276 0.0000 173.8174 98 A 4.5627 7.9132 121.4703 51.9140 19.1587 176.9214 99 T 4.4359 7.7156 106.5123 60.9676 71.4396 174.5527 100 G 3.8016 8.2991 110.2301 45.2916 0.0000 175.6632 101 G 3.5790 8.0829 107.9391 46.7573 0.0000 176.6656 102 R 4.1454 8.4907 127.3797 55.4428 29.9236 177.1495 103 L 4.2667 8.5462 124.5215 57.1022 42.0373 179.3456 104 D 4.5096 8.0950 117.5936 56.5106 39.6993 177.6460 105 H 4.4107 8.2292 117.1913 58.8513 28.8913 177.8601 106 F 4.6810 7.3756 118.0101 58.2304 39.4538 176.8267 *108 G 3.8053 8.2368 109.6123 44.9629 0.0000 175.6499 109 A 3.9528 8.1313 122.1488 54.9450 18.3736 179.7654 110 L 3.8066 7.3871 117.5182 57.7529 41.7060 179.5424 111 Q 4.2279 7.5904 119.0413 58.3225 28.6015 178.9412 112 I 3.7501 7.2584 120.0425 64.5143 36.9845 178.4986 113 L 4.0404 7.2348 117.1203 57.3219 41.6654 178.5437 114 E 2.8913 7.5351 116.2842 54.9147 29.9653 176.3909 115 K 3.8659 7.5028 120.9763 55.7648 32.7408 176.3265 116 P 4.3349 0.0000 0.0000 65.7138 31.0229 178.0738 117 E 3.8538 7.9721 117.8167 58.7487 29.3749 177.2599 118 Y 4.7592 7.2872 114.0471 58.9227 38.7996 177.4590 119 A 4.3349 7.8547 121.8709 54.9018 18.6034 180.0433 120 K 3.9399 7.7777 111.1326 57.9685 32.2450 176.7990 *122 N 4.4978 7.8684 115.2317 53.9266 39.7883 173.6429 123 I 4.4201 7.5618 117.1889 60.0265 40.2863 175.1716 124 N 4.8127 9.1956 126.6839 51.9578 40.8264 172.2289 125 I 4.7735 8.1219 126.2251 59.4510 39.1449 175.4627 126 K 4.7818 8.9062 125.9466 54.5461 36.3062 175.1419 127 L 4.8805 8.5469 124.1565 53.5992 43.6315 175.7908 128 I 5.1765 8.7520 123.7607 59.7791 41.6770 174.3668 129 D 4.9805 8.8339 124.6407 51.5333 42.5343 175.5976 130 D 4.6594 9.2050 118.4426 56.1493 39.1698 176.9663 131 T 4.8042 8.1248 112.9628 63.0881 71.2899 173.0419 132 N 6.0550 9.2535 118.4028 50.7879 44.0928 173.0159 133 E 4.8826 8.2519 119.9678 54.8797 33.2686 173.8351 134 I 5.0558 8.6725 127.1177 59.6446 41.2302 174.3849 135 Q 4.8729 8.4494 122.4704 54.8831 31.5039 173.5416 136 F 4.8687 8.7393 122.9172 57.7240 41.0547 174.9036 137 I 4.0748 7.7604 125.0262 59.5103 40.5109 175.2574 138 Q 4.1681 8.0761 128.5672 54.0463 30.9903 174.6944 139 K 3.8949 8.6691 122.1751 55.9766 32.6352 177.0332 140 G 3.8002 7.1406 113.9033 44.9881 0.0000 170.0289 141 Q 4.6934 7.0263 120.2374 54.2677 31.4543 175.3572 142 F 4.9761 9.0299 123.0461 55.5456 44.1994 175.1260 143 N 5.4087 8.8491 116.4386 53.1954 40.2415 176.4516 144 V 4.4514 8.1689 129.5289 62.1754 34.3165 174.6973 *150 F 4.6176 8.2970 115.4728 56.7595 39.0084 172.9088 151 P 4.2418 0.0000 0.0000 64.9302 31.7990 176.5354 152 Y 5.1684 7.7716 117.0898 56.9306 39.8463 174.9594 153 I 4.9559 8.6320 123.3935 59.7676 41.0077 174.6440 154 S 4.9843 8.6305 121.4015 56.7041 67.5903 172.8774 155 F 5.3238 8.3757 119.3742 55.8226 41.6717 174.6635 156 I 4.7068 8.8195 124.9114 58.5666 39.6537 173.7262 157 P 4.8175 0.0000 0.0000 63.2618 31.6209 175.9641 158 V 4.2907 9.2240 123.4405 64.8293 32.8696 177.3289 159 I 4.3873 7.4719 110.7482 59.5799 39.0501 175.3561 *161 P 4.9757 0.0000 0.0000 63.4166 32.6750 175.8444 162 T 5.0884 8.2659 120.9313 61.6995 71.4762 173.6609 163 V 4.8855 8.8478 124.1639 61.5093 35.9629 174.1311 164 I 4.9138 8.4122 125.5269 60.0899 40.9727 174.5407 165 S 4.7828 9.1257 125.4948 58.1713 65.2555 172.9344 166 L 4.5945 8.8497 122.4419 56.0427 43.1800 179.8544 167 K 3.9140 8.7884 125.6202 57.4403 31.8943 180.2428 168 G 3.9571 7.2665 108.0650 47.9263 0.0000 176.6389 *169 F 4.4727 7.1822 126.5099 55.9044 44.7085 177.2263 170 K 4.3306 9.1027 129.5972 56.4446 29.9819 177.0019 *171 Y 3.4294 9.1533 121.1347 57.6961 33.2401 167.9411 172 N 5.0779 8.0005 119.9987 51.6277 41.3955 174.2891 173 L 3.5418 8.6239 125.9767 55.6760 40.9495 173.8797 174 Q 4.1975 8.2160 118.8580 55.4378 29.8120 174.7961 175 N 4.9992 8.8128 125.4603 53.5732 40.2143 173.5120 176 E 4.6352 8.5656 125.6228 54.1483 31.4357 175.5329 *184 L 4.4935 8.4429 122.3947 54.5933 42.6304 175.9763 185 T 4.5519 8.4569 105.2721 63.4832 68.6994 174.6923 186 I 4.1762 7.5910 117.1879 61.5939 38.4248 176.7177 187 S 5.8962 7.3420 121.0526 58.8899 64.0452 175.0748 188 N 4.7781 8.4328 123.9068 54.3280 40.2721 176.5366 189 E 5.1244 8.0723 114.4315 54.7673 30.6184 171.2348 190 L 4.4070 7.3373 118.2341 54.4818 44.9121 176.0350 *194 C 4.4898 8.4939 113.8762 59.8235 29.6121 174.1995 195 G 4.2073 7.4084 102.4905 45.7213 0.0000 173.0141 196 N 5.4420 8.4245 118.5530 51.3863 42.8171 173.5182 197 I 4.7906 8.4603 121.5034 59.9310 42.2915 172.8431 198 E 4.8377 9.2966 130.7142 54.4631 32.8466 174.5962 199 I 4.1152 8.8811 128.9847 60.3175 37.2385 176.5791 200 I 3.8519 8.3428 129.7007 64.0169 37.6308 176.7518 201 E 4.5215 7.9524 119.0299 56.1201 34.0266 177.2565 202 G 3.7145 9.3735 109.9747 45.2799 0.0000 172.6489 203 S 4.7959 8.1457 112.0450 57.2296 66.8553 173.7203 204 V 4.9614 8.3358 113.5954 60.2367 36.2504 175.6265 205 L 4.9227 9.1462 124.9260 54.0219 45.2425 174.6667 *207 I 4.2056 8.1669 119.6273 61.9888 39.5028 175.7608 208 R 5.1210 8.8507 128.9940 54.8671 32.3243 175.7376 209 S 5.8390 9.5971 118.8009 55.7026 67.3372 173.0941 210 K 4.8221 8.7079 120.1867 55.1302 35.2917 175.5618 211 D 4.7821 8.5630 120.6180 53.6369 40.8778 175.7289 212 E 4.2054 8.7352 126.6912 56.3087 29.6639 175.5816 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 K 8.31 4.69 0.00 1.80 1.80 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.41 7.81 3 A 8.93 4.45 0.34 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 4 N 9.29 5.00 0.00 1.44 1.42 0.00 0.00 6.63 6.50 0.00 0.00 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 L 8.96 5.22 0.00 1.57 1.57 0.73 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.01 5.34 0.00 1.95 1.57 1.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 C 9.42 4.75 0.00 3.04 2.98 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 8 G 7.09 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.46 4.89 0.00 2.79 2.85 0.00 0.00 5.89 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 10 R 7.94 4.29 0.00 1.92 1.89 0.00 3.30 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 11 N 8.94 4.92 0.00 2.91 3.04 0.00 0.00 7.16 6.74 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 12 L 7.27 4.48 0.00 1.59 1.61 0.92 1.15 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 13 P 0.00 4.40 0.00 2.26 2.09 0.00 3.79 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 14 K 8.45 3.98 0.00 1.55 1.71 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.28 7.81 15 H 8.92 4.14 0.00 3.48 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.45 3.51 1.91 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 0.78 1.12 0.76 0.00 0.00 17 L 7.57 3.79 0.00 1.45 1.39 0.60 -0.16 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 18 V 7.52 3.71 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 1.03 0.00 0.00 0.87 0.00 0.00 19 E 8.29 4.14 0.00 1.89 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 2.35 2.62 0.00 20 H 7.76 5.14 0.00 3.72 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.88 3.91 0.00 1.80 1.71 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.33 7.81 22 H 7.99 4.76 0.00 3.23 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.01 4.25 0.00 1.82 1.77 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 2.32 2.47 0.00 24 H 8.36 4.67 0.00 3.20 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 W 8.88 5.13 0.00 3.18 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 26 I 9.09 4.42 1.60 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 0.69 0.44 0.30 0.00 0.00 27 G 8.46 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.67 4.91 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 0.95 0.00 0.00 29 D 9.69 4.28 0.00 2.81 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 0.00 0.00 0.00 0.00 30 R 8.91 4.15 0.00 1.87 2.00 0.00 3.15 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 31 G 8.26 3.69 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 0.00 0.00 0.00 32 T 7.74 3.82 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 0.95 0.00 0.00 33 L 7.85 4.02 0.00 1.66 1.92 0.96 0.91 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 34 I 7.56 3.66 1.88 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 1.73 1.55 0.79 0.00 0.00 35 L 7.94 3.69 0.00 1.75 1.56 0.94 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.53 4.16 0.00 1.83 1.74 0.86 0.65 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 37 E 8.11 4.02 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 2.33 2.34 0.00 38 S 7.46 4.50 0.00 3.76 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 39 G 8.39 3.83 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 0.00 0.00 0.00 40 I 7.70 4.30 1.84 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.05 0.80 0.00 0.00 41 T 8.35 4.61 4.30 0.00 0.00 0.00 0.00 0.00 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 42 P 0.00 4.64 0.00 1.96 1.91 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 43 Q 8.83 4.19 0.00 1.90 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 44 F 7.03 5.02 0.00 3.13 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 45 A 9.10 5.21 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 46 V 9.13 4.72 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 0.84 0.00 0.00 1.12 0.00 0.00 47 G 9.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.38 4.74 0.00 2.71 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.29 5.05 0.00 3.03 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 50 D 8.79 4.57 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 *51 S 8.27 4.85 0.00 3.60 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 52 I 8.76 4.63 1.91 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 1.37 1.38 1.05 0.00 0.00 53 S 7.47 4.70 0.00 4.06 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 54 D 8.26 4.40 0.00 2.74 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 55 S 8.23 4.16 0.00 3.88 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 56 E 8.06 4.10 0.00 2.12 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 2.47 2.45 0.00 57 R 8.42 4.13 0.00 2.05 2.03 0.00 3.17 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 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0.00 1.90 1.95 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.60 1.45 7.81 *122 N 7.87 4.50 0.00 2.74 2.90 0.00 0.00 7.05 7.94 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 0.00 123 I 7.56 4.42 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.73 1.01 0.00 0.00 124 N 9.20 4.81 0.00 2.73 2.76 0.00 0.00 7.18 7.25 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 0.00 125 I 8.12 4.77 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.77 0.00 0.00 126 K 8.91 4.78 0.00 1.49 1.49 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.29 7.81 127 L 8.55 4.88 0.00 1.60 1.59 0.80 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.75 5.18 1.08 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.45 0.99 0.00 0.00 129 D 8.83 4.98 0.00 3.15 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 0.00 130 D 9.21 4.66 0.00 2.76 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 0.00 131 T 8.12 4.80 4.29 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 1.27 0.00 0.00 132 N 9.25 6.05 0.00 2.67 2.65 0.00 0.00 6.63 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.25 4.88 0.00 1.20 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 2.04 2.09 0.00 134 I 8.67 5.06 1.88 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.92 0.00 0.00 135 Q 8.45 4.87 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 136 F 8.74 4.87 0.00 2.91 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 0.00 137 I 7.76 4.07 1.71 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.42 0.62 0.00 0.00 138 Q 8.08 4.17 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 139 K 8.67 3.89 0.00 1.81 1.75 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.60 7.81 140 G 7.14 3.80 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 0.00 0.00 0.00 141 Q 7.03 4.69 0.00 1.80 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 142 F 9.03 4.98 0.00 2.95 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 0.00 143 N 8.85 5.41 0.00 2.64 2.22 0.00 0.00 6.98 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 0.00 144 V 8.17 4.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.06 0.00 0.00 *150 F 8.30 4.62 0.00 3.06 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.24 0.00 1.70 2.10 0.00 3.78 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 1.65 1.77 0.00 152 Y 7.77 5.17 0.00 3.16 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 0.00 153 I 8.63 4.96 1.81 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 1.21 0.69 0.46 0.00 0.00 154 S 8.63 4.98 0.00 3.64 3.64 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 0.00 155 F 8.38 5.32 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 0.00 156 I 8.82 4.71 1.94 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 1.38 0.97 0.00 0.00 157 P 0.00 4.82 0.00 2.12 2.10 0.00 3.78 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 2.03 2.01 0.00 158 V 9.22 4.29 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 0.80 0.00 0.00 1.21 0.00 0.00 159 I 7.47 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.91 0.00 0.00 *161 P 0.00 4.98 0.00 2.22 2.30 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.18 0.00 162 T 8.27 5.09 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 1.19 0.00 0.00 163 V 8.85 4.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 164 I 8.41 4.91 1.82 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 0.57 0.95 0.00 0.00 165 S 9.13 4.78 0.00 3.71 3.76 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 0.00 0.00 0.00 166 L 8.85 4.59 0.00 1.31 1.41 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 167 K 8.79 3.91 0.00 1.76 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.03 7.81 168 G 7.27 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *169 F 7.18 4.47 0.00 2.27 1.64 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 K 9.10 4.33 0.00 1.77 1.03 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *171 Y 9.15 3.43 0.00 2.39 2.31 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 0.00 172 N 8.00 5.08 0.00 2.62 2.72 0.00 0.00 7.30 7.85 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 0.00 173 L 8.62 3.54 0.00 1.69 1.66 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 8.22 4.20 0.00 2.20 2.03 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 2.36 2.36 0.00 175 N 8.81 5.00 0.00 2.78 2.70 0.00 0.00 7.14 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 0.00 176 E 8.57 4.64 0.00 2.15 1.86 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 2.29 2.31 0.00 *184 L 8.44 4.49 0.00 1.69 0.77 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 185 T 8.46 4.55 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 1.29 0.00 0.00 186 I 7.59 4.18 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 1.34 0.62 0.92 0.00 0.00 187 S 7.34 5.90 0.00 3.83 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 0.00 188 N 8.43 4.78 0.00 2.98 2.84 0.00 0.00 6.96 7.77 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 0.00 189 E 8.07 5.12 0.00 1.93 1.71 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 2.13 1.83 0.00 190 L 7.34 4.41 0.00 1.59 1.39 0.92 0.91 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 *194 C 8.49 4.49 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 G 7.41 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 N 8.42 5.44 0.00 2.69 2.66 0.00 0.00 6.37 7.38 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 0.00 197 I 8.46 4.79 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.94 1.00 0.00 0.00 198 E 9.30 4.84 0.00 1.93 1.67 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 2.11 2.26 0.00 199 I 8.88 4.12 1.96 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 1.23 1.27 0.94 0.00 0.00 200 I 8.34 3.85 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.30 0.89 0.00 0.00 201 E 7.95 4.52 0.00 1.93 1.77 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 2.29 2.31 0.00 202 G 9.37 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.15 4.80 0.00 3.66 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 0.00 204 V 8.34 4.96 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 205 L 9.15 4.92 0.00 1.64 1.70 0.94 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *207 I 8.17 4.21 1.87 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 1.33 1.34 0.92 0.00 0.00 208 R 8.85 5.12 0.00 1.35 1.73 0.00 3.08 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 209 S 9.60 5.84 0.00 3.90 3.84 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 0.00 210 K 8.71 4.82 0.00 1.55 1.35 0.00 1.43 0.00 0.00 1.68 0.00 0.00 2.64 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.33 1.36 7.81 211 D 8.56 4.78 0.00 2.71 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 0.00 212 E 8.74 4.21 0.00 1.97 1.80 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 2.24 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.