NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2819 8.3144 119.9989 56.2668 33.2907 175.2332 4 Q 3.8623 8.5584 125.5430 55.3396 29.6166 174.0933 5 K 4.4539 8.6070 124.0059 56.0038 34.6969 176.4671 6 G 4.3181 9.7702 115.4138 46.1579 0.0000 172.8284 7 L 5.0042 8.8251 123.0301 54.6048 43.4920 176.5118 8 A 4.8649 8.8411 123.5453 50.3455 22.0181 174.9768 9 I 4.5958 8.7732 124.2425 60.9833 39.0597 175.3457 10 I 5.0285 8.6328 128.1931 59.6647 39.8586 175.2571 11 T 4.5554 8.8527 118.0341 60.6615 70.8788 174.4578 12 G 3.8610 8.4174 108.1011 46.8909 0.0000 174.8714 13 A 4.3725 8.0373 121.5689 52.6708 19.3982 179.8728 14 S 4.4024 7.9414 109.4996 59.4408 64.0207 173.3434 15 Q 4.4607 7.9668 117.8856 56.5801 31.3616 174.3860 16 G 3.8090 8.4223 106.8604 47.6249 0.0000 175.8607 17 I 3.8554 8.4292 119.1279 64.2559 37.0650 178.1095 18 G 4.0128 8.3483 107.2307 47.2353 0.0000 175.2334 19 A 4.3061 8.0706 124.7008 54.3061 18.3514 179.9973 20 V 3.5228 7.4386 115.2250 66.1223 31.6070 178.3702 21 I 3.6019 7.8116 119.3269 64.2476 36.9654 178.0774 22 A 3.9473 8.2097 121.6089 55.1588 18.1542 179.4706 23 A 4.0161 7.9063 118.7110 55.3772 18.4971 180.1272 24 G 3.5490 8.1698 104.1942 48.0231 0.0000 175.9451 25 L 4.1982 8.4567 121.6437 57.2902 41.6018 179.5170 26 A 4.3322 8.0416 122.3146 55.0824 18.1471 179.8868 27 T 3.9065 7.7596 112.9576 66.5129 68.5470 176.1455 28 D 4.5371 7.8280 119.5651 54.6535 41.0891 176.6559 29 G 3.8185 7.4311 105.7267 45.3005 0.0000 173.9364 30 Y 4.4767 7.8792 118.0914 57.7244 39.8567 174.8941 31 R 4.5131 8.6978 123.0402 55.2741 31.3307 175.7024 32 V 4.5948 8.2807 120.4660 60.6862 33.8221 175.5715 33 V 4.6633 8.7215 124.9255 61.2279 33.6247 174.5074 34 L 4.6963 9.0007 130.1625 54.0299 42.9625 175.9662 35 I 5.0427 8.4762 125.0334 58.5427 40.1269 175.0965 36 A 4.3402 7.9355 126.4355 52.2947 21.7281 177.0849 37 R 3.9828 8.7660 117.2672 58.7980 30.7258 177.8399 38 S 4.2818 7.8688 112.7479 57.4918 62.6445 174.1818 39 K 3.9171 8.5536 131.4584 59.3701 32.0802 178.0621 40 Q 3.9391 8.0276 119.3490 59.5931 29.1577 178.1904 41 N 4.4425 8.9184 117.6691 55.9907 38.5220 177.6221 42 L 4.0118 8.1457 120.8472 57.8612 41.6566 179.2767 43 E 4.0962 8.4558 118.7268 59.2950 29.2878 179.5744 44 K 3.8719 8.0572 118.6656 59.4044 32.0833 179.5587 45 V 3.7452 7.7671 118.3701 66.1077 31.2283 177.4249 46 H 4.0387 8.4379 117.2547 59.6309 29.8013 176.6824 47 D 4.5376 8.7085 119.9159 57.3172 40.9129 178.3201 48 E 4.1768 8.6353 119.6497 59.2526 29.4708 180.2868 49 I 3.8658 7.5568 117.9645 61.8104 36.8422 178.2320 *51 R 4.2611 7.9724 120.9447 56.3349 31.9206 177.2001 52 S 4.0836 8.0481 111.7317 60.9767 62.5664 173.3919 53 N 4.3686 7.9578 116.4570 52.5765 40.1157 174.5268 54 K 3.8735 8.5870 128.2564 59.2093 32.4285 177.1100 55 H 4.7068 7.8873 113.8312 55.6427 29.0104 175.8792 56 V 3.8723 7.1771 119.8824 60.9320 31.9509 176.1920 57 Q 4.0160 8.3583 120.2815 56.0535 29.0983 176.0374 58 E 4.1078 8.5538 123.4253 55.3128 30.2200 174.6389 59 P 4.4976 0.0000 0.0000 63.0459 32.4424 175.7208 60 I 4.2226 8.7952 125.5065 60.1626 38.6161 174.9800 61 V 4.1749 8.3696 127.8508 62.1888 32.0952 175.5625 62 L 4.6244 8.7665 129.7525 52.0630 43.2155 171.5176 63 P 4.5247 0.0000 0.0000 62.6120 31.5698 175.0239 64 L 4.6351 9.1886 126.3299 53.4271 45.8273 175.2299 65 D 4.6818 8.6217 125.0458 52.3996 40.9502 176.6455 66 I 4.0044 8.2222 119.4798 62.2845 37.4977 176.9734 67 T 4.0799 8.0370 111.3711 63.3891 69.7717 175.6066 68 D 4.6304 7.9402 125.1252 52.5683 37.7612 175.6909 69 C 3.8538 7.9319 121.9032 63.5065 28.7350 176.2203 70 T 3.9014 7.8206 116.4053 66.5257 68.1540 176.6633 71 K 4.0110 8.2981 120.9544 59.0379 32.0873 178.9226 72 A 3.9417 8.1533 121.4486 55.0155 18.3083 178.8963 73 D 4.3285 8.0140 117.8720 57.1971 41.2808 178.5387 74 T 3.8551 7.7816 115.9074 66.7470 68.5036 176.3459 75 E 3.9409 8.1211 120.1302 59.5300 29.5688 179.4040 76 I 3.7173 7.8991 119.7698 64.5980 37.1689 178.7026 77 K 4.0527 8.2598 119.1598 59.5498 31.7332 179.1990 78 D 4.3441 8.1853 119.3064 57.4245 40.6405 178.8767 79 I 3.8499 7.9181 120.4392 64.5213 37.0341 177.9979 80 H 4.3414 8.4787 119.2248 59.4415 29.4979 177.3781 81 Q 3.8676 8.0679 118.9669 58.6884 28.5726 178.4990 82 K 3.8246 8.0532 120.0494 58.9574 32.3911 177.6995 83 Y 4.7260 8.6114 113.9115 59.1770 39.2352 176.6755 84 G 3.7888 8.6977 106.4651 43.7057 0.0000 172.7018 85 A 3.9381 8.6616 121.1754 52.9856 18.7048 177.0811 86 V 4.4852 8.2497 122.2108 61.5743 32.1648 174.9848 87 D 4.7496 8.9908 128.8152 56.5044 42.2232 176.9370 88 I 5.2943 7.5112 116.9994 59.4756 42.2614 174.1075 89 L 5.1103 8.9227 126.6101 53.3189 45.3105 175.0860 90 V 4.8490 9.2226 126.5716 61.3772 34.1296 174.1385 91 N 5.0449 9.5561 126.9620 51.9717 38.9144 174.7993 92 A 4.9597 8.5166 123.4766 51.0403 20.5342 175.8515 93 A 4.0879 8.1855 120.0468 52.7755 20.2685 177.2503 94 A 4.2514 8.3462 123.7525 52.4565 17.8467 180.5488 *96 F 4.3828 8.7110 119.4911 59.7909 40.1633 172.7662 *98 D 4.1616 8.4133 122.4154 53.7829 41.6931 174.8160 99 G 4.1876 8.4871 114.9089 43.7446 0.0000 173.3359 100 S 4.5012 8.5925 121.3393 57.1339 61.6707 173.1356 101 L 4.8135 7.9460 127.3743 53.4270 45.5786 176.3339 102 S 4.1151 8.3211 114.6091 61.5546 63.5934 174.7182 103 E 4.1938 7.9131 121.1045 54.3786 30.4366 176.1054 104 P 4.3228 0.0000 0.0000 65.5430 31.4924 178.8624 105 V 3.9464 7.8425 116.6550 65.9332 31.4294 177.5554 106 D 4.4914 7.9853 118.2946 57.0391 40.8265 178.2581 107 N 4.4934 8.1399 116.9683 56.1312 38.2751 177.2478 108 F 4.5290 8.7381 121.8559 61.2874 39.5424 177.0969 109 R 3.8744 7.5850 116.3405 59.2440 30.2093 178.5143 110 K 4.1116 8.1276 119.1673 59.5412 32.1899 179.2503 111 I 4.3051 7.9818 117.1890 61.9517 36.9059 177.4943 *113 E 4.1773 8.1024 122.2972 56.3931 31.0569 178.0186 114 I 3.7528 7.8814 118.0017 63.6765 37.0588 177.2877 115 N 4.7196 8.0253 115.7588 54.1901 39.5752 176.5775 116 V 4.1170 7.3844 117.9328 64.9834 32.6606 177.7380 117 I 3.6807 7.6080 118.7222 64.2164 36.9719 178.1324 118 A 3.9879 7.8856 121.1157 55.2758 18.2277 179.2517 119 Q 3.9125 8.1671 117.5833 59.6411 29.0639 177.8208 120 Y 4.1281 8.5129 120.8597 60.6250 38.7944 178.2798 121 G 3.6137 8.2356 106.4439 47.9732 0.0000 175.4019 122 I 3.6793 7.6466 122.9852 63.8761 37.2107 178.3499 123 L 3.8909 7.9420 119.5941 57.7139 41.5980 179.3879 124 K 3.5997 8.1193 119.5566 59.8240 32.0914 178.8466 125 T 3.7903 7.7500 115.6491 66.7688 68.2616 177.0036 126 V 3.6940 7.8649 120.4032 66.0500 31.2976 178.1721 127 T 3.8650 8.2151 109.5726 64.5416 68.5318 176.1799 128 E 4.1422 8.1225 119.9033 58.6623 29.7089 178.5148 129 I 3.9172 7.0774 119.0166 62.0382 36.8394 177.6139 *131 K 4.2022 8.0737 122.5349 56.5401 33.8436 178.4280 132 V 3.6058 7.4542 116.9265 65.9952 31.5035 177.3416 133 Q 4.0690 7.9241 117.3625 56.7714 28.6726 176.2644 134 K 4.0031 7.4271 115.3389 56.2612 30.0235 174.7598 135 N 4.8516 6.8082 111.7501 53.1219 41.6312 173.2738 136 G 4.3560 7.0994 112.5942 44.7586 0.0000 170.6854 137 Y 4.8512 8.2846 120.7896 55.8941 42.2538 173.6184 138 I 4.9244 9.0359 128.0484 59.6717 39.8019 174.5710 139 F 5.4833 9.3801 125.8204 55.7184 42.0391 173.9630 140 N 5.2454 9.2864 120.7970 51.4661 41.5689 173.9013 141 V 4.5116 8.6349 124.2091 61.2873 32.1143 175.1728 142 A 4.4478 8.9191 130.9033 51.8396 20.0576 177.1587 143 S 4.3648 8.4919 115.7132 58.8470 64.8200 175.6276 *151 A 4.1359 8.9523 120.1510 52.0420 19.3711 178.6120 152 D 4.2746 7.8254 121.0721 55.5332 42.0502 177.0382 153 G 3.7243 7.3006 106.8978 45.4925 0.0000 174.3132 154 G 3.8683 8.0087 107.6962 45.0574 0.0000 175.9050 155 I 3.3024 7.5004 120.8940 64.3751 37.0917 177.3150 156 Y 4.1007 8.3144 120.4514 60.6724 38.7646 177.8304 157 G 3.6697 8.2730 106.1071 48.0469 0.0000 175.1561 158 S 4.0202 7.9521 115.1410 61.5194 62.3405 176.4416 159 T 3.9100 7.7658 118.4160 66.2794 68.2088 176.6736 160 K 3.8495 7.9288 121.5353 59.6501 32.2123 178.9723 161 F 4.1446 8.6451 117.8813 60.4440 38.8540 177.2822 162 A 3.9316 8.3420 120.5365 55.4152 18.0960 179.7873 163 L 3.9697 7.7898 117.2798 57.9819 41.6603 179.7135 164 L 4.0795 7.8919 118.9510 57.6990 41.5089 179.8463 165 G 3.6057 8.9088 106.6917 47.4715 0.0000 175.6324 166 L 3.9728 7.8770 122.2874 57.8880 42.1302 178.7992 167 A 3.9785 8.0543 120.6965 55.2785 18.2253 179.0406 168 E 3.8704 8.4716 118.3583 59.6149 29.6479 179.2854 169 S 4.2001 8.0253 113.7395 61.4503 63.1857 176.4604 170 L 4.2158 8.1223 122.4989 57.1488 41.3468 178.7226 171 Y 4.0568 8.2364 120.0755 60.9046 38.5509 178.5470 172 R 3.7601 7.6146 117.4409 59.1637 30.2878 178.5671 173 E 4.0688 8.3742 117.6634 59.4248 29.7681 179.0200 174 L 4.1383 8.4841 118.5473 56.5182 41.8284 178.8045 175 A 3.8744 7.4969 121.1209 54.8021 18.0521 177.6939 176 P 4.3662 0.0000 0.0000 64.5004 31.5714 176.5866 177 L 4.3187 8.1439 119.1639 54.4631 42.1524 177.7874 178 G 3.9115 8.2803 107.7464 45.2707 0.0000 172.6356 179 I 4.7397 7.3260 119.7454 59.3893 39.0875 175.2620 180 R 4.3754 8.0949 125.8275 54.3892 32.6486 175.4753 181 V 4.9387 8.0523 120.6866 61.6188 34.7279 174.8270 182 T 5.0924 8.9893 123.2318 62.4482 73.2445 172.6808 183 T 4.9990 9.1356 123.3120 61.9027 71.1330 173.2913 184 L 5.1815 9.4668 127.1953 53.6179 44.1571 175.4913 185 C 4.9917 9.4041 121.9446 57.3507 29.6047 171.4459 186 P 5.2307 0.0000 0.0000 61.1020 32.9481 176.8765 187 G 4.1524 8.1179 113.9372 45.9078 0.0000 173.9162 188 W 4.3189 9.0544 124.3064 56.8524 29.7470 175.4293 189 V 4.5943 8.2526 121.9805 60.9536 33.2266 175.7181 190 N 4.6813 9.3032 126.9146 53.1715 37.0098 173.5806 191 T 4.7636 7.7275 113.6719 59.4412 72.4582 175.9215 192 D 4.3367 8.4490 119.9852 53.0833 38.6201 178.3181 *194 A 4.5897 8.1720 124.0332 53.5551 20.8718 179.9437 195 K 3.9828 7.8603 114.9293 59.5047 32.2788 179.4183 196 K 3.8459 8.3480 118.8456 59.1824 32.1067 177.0405 197 A 4.4060 8.1367 118.9321 51.3419 19.0312 176.7416 198 G 3.9011 8.2662 104.6917 46.6136 0.0000 174.8973 199 T 2.7916 7.6980 112.6647 61.3526 67.8599 171.7260 200 P 4.2147 0.0000 0.0000 62.9843 32.0065 175.7987 201 F 4.8350 6.7405 117.7279 55.9261 40.6867 175.9363 202 K 4.2495 9.2114 123.0135 56.2050 32.6875 178.1357 203 D 4.5148 8.8956 121.9538 57.7303 40.7423 178.5934 204 E 4.2263 8.0632 114.3720 58.9216 29.7920 177.7096 205 E 4.1111 7.7487 117.0069 56.9874 29.0167 176.4004 *207 I 3.9169 7.5716 119.5423 61.3054 38.5982 175.1564 208 Q 4.6256 8.4741 123.4583 54.4123 30.1322 175.2883 209 P 4.1620 0.0000 0.0000 66.0296 31.2833 178.7303 210 D 4.3848 8.1302 116.9924 57.4905 40.6275 178.6018 211 D 4.2418 7.8514 119.3170 57.1961 40.7014 178.8041 212 L 3.6597 7.4980 118.9412 57.4592 41.6672 178.9722 213 L 3.7753 7.6837 120.1988 58.4381 42.0818 178.9257 214 N 4.3220 8.9545 117.3437 56.4655 38.3093 177.6704 215 T 3.9905 7.9895 117.4558 66.5224 68.5357 176.8801 216 I 3.2298 7.8185 121.9837 64.2398 36.7706 178.6605 217 R 3.8852 7.7998 118.0004 59.3122 30.1682 178.3760 218 C 4.2873 8.1077 118.4666 62.4407 31.6768 175.5985 219 L 4.1516 8.1810 120.7710 57.9389 41.0530 179.5427 220 L 4.3303 8.0583 117.5088 56.9992 41.6166 177.6431 221 N 4.8065 7.6117 113.6545 52.9282 39.1985 175.1788 222 L 4.3306 7.5255 118.8453 53.9917 42.5397 177.0090 223 S 4.3282 8.3807 114.6983 58.0222 63.6081 174.8071 224 E 3.8302 8.9048 123.3024 59.5563 29.2361 177.4619 225 N 4.5904 8.0134 112.7948 53.0969 38.9599 174.6189 226 V 4.0182 7.8502 120.0723 61.9406 31.9885 174.8229 227 C 4.8420 8.6281 124.7653 57.9428 30.4069 173.5508 228 I 4.5056 8.3157 124.1713 59.1708 39.2438 174.9203 229 K 3.6749 8.5273 128.1948 59.0156 32.7659 176.0262 230 D 5.1720 7.5169 115.4386 52.4213 42.3095 174.7205 231 I 4.4239 8.6196 120.2065 59.5915 40.8578 174.4185 232 V 4.5593 8.2572 127.1060 61.4594 32.8265 174.6387 233 F 4.7736 9.2626 127.2259 55.6407 40.5754 173.7487 234 E 4.8954 8.6989 124.7776 56.1223 30.8803 176.8887 *236 K 4.3397 8.6966 121.6635 57.5448 34.1975 177.9942 237 K 3.8676 8.0781 117.6185 59.8971 31.6867 179.0307 238 S 4.2117 7.9612 113.1186 61.8742 62.7773 176.5840 239 I 3.9325 7.5906 120.9146 64.4217 37.1351 178.1293 240 I 3.8409 8.0929 119.7296 63.8850 36.9147 176.5651 241 E 4.3496 8.3492 123.8828 56.5125 29.6116 176.1057 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 K 8.31 4.28 0.00 1.91 1.95 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.46 7.81 4 Q 8.56 3.86 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 5 K 8.61 4.45 0.00 1.56 1.32 0.00 1.40 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.94 1.17 7.81 6 G 9.77 4.32 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 0.00 7 L 8.83 5.00 0.00 1.69 1.63 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.84 4.86 1.02 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 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.77 4.60 1.87 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 1.24 0.71 0.91 0.00 0.00 10 I 8.63 5.03 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 1.25 0.58 0.95 0.00 0.00 11 T 8.85 4.56 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 1.22 0.00 0.00 12 G 8.42 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.04 4.37 1.37 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 0.00 0.00 0.00 14 S 7.94 4.40 0.00 4.00 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 15 Q 7.97 4.46 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 16 G 8.42 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.43 3.86 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 1.53 0.87 0.84 0.00 0.00 18 G 8.35 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 0.00 0.00 0.00 19 A 8.07 4.31 1.42 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 0.00 0.00 0.00 20 V 7.44 3.52 2.17 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 0.98 0.00 0.00 0.91 0.00 0.00 21 I 7.81 3.60 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.48 0.78 0.00 0.00 22 A 8.21 3.95 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 23 A 7.91 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.17 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 25 L 8.46 4.20 0.00 1.68 1.81 0.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.04 4.33 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.91 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 28 D 7.83 4.54 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.43 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 30 Y 7.88 4.48 0.00 3.12 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 31 R 8.70 4.51 0.00 2.01 1.81 0.00 2.49 0.00 0.00 2.96 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 32 V 8.28 4.59 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 0.72 0.00 0.00 0.92 0.00 0.00 33 V 8.72 4.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 34 L 9.00 4.70 0.00 1.61 1.59 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.48 5.04 2.00 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 1.12 1.57 0.92 0.00 0.00 36 A 7.94 4.34 1.22 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 0.00 0.00 37 R 8.77 3.98 0.00 1.81 1.99 0.00 3.19 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 38 S 7.87 4.28 0.00 3.90 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 39 K 8.55 3.92 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.70 1.49 7.81 40 Q 8.03 3.94 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 41 N 8.92 4.44 0.00 2.74 2.86 0.00 0.00 7.14 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 42 L 8.15 4.01 0.00 1.86 1.72 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.46 4.10 0.00 2.23 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 2.26 2.41 0.00 44 K 8.06 3.87 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 45 V 7.77 3.75 2.25 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 0.99 0.00 0.00 1.08 0.00 0.00 46 H 8.44 4.04 0.00 3.14 3.39 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.71 4.54 0.00 2.78 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 48 E 8.64 4.18 0.00 2.09 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 2.33 2.65 0.00 49 I 7.56 3.87 1.94 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 1.50 1.04 0.87 0.00 0.00 *51 R 7.97 4.26 0.00 1.94 2.02 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 52 S 8.05 4.08 0.00 3.83 4.03 0.00 0.00 0.00 0.00 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0.00 0.91 0.41 0.94 0.00 0.00 61 V 8.37 4.17 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 0.74 0.00 0.00 0.92 0.00 0.00 62 L 8.77 4.62 0.00 1.79 1.67 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.52 0.00 1.98 2.03 0.00 3.71 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 2.03 2.09 0.00 64 L 9.19 4.64 0.00 1.53 1.58 0.92 1.20 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 65 D 8.62 4.68 0.00 2.68 2.53 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 66 I 8.22 4.00 1.87 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 0.70 0.91 0.00 0.00 67 T 8.04 4.08 4.19 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 1.15 0.00 0.00 68 D 7.94 4.63 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.93 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0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.25 4.49 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 0.85 0.00 0.00 0.92 0.00 0.00 87 D 8.99 4.75 0.00 2.82 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 88 I 7.51 5.29 1.66 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 1.06 0.00 0.00 89 L 8.92 5.11 0.00 1.73 1.47 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 90 V 9.22 4.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 91 N 9.56 5.04 0.00 2.74 2.79 0.00 0.00 6.21 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.52 4.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.19 4.09 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.35 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0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 105 V 7.84 3.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.97 0.00 0.00 106 D 7.99 4.49 0.00 2.96 2.73 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 0.00 107 N 8.14 4.49 0.00 3.02 2.95 0.00 0.00 6.59 7.75 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 0.00 108 F 8.74 4.53 0.00 2.94 3.27 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 0.00 0.00 0.00 0.00 109 R 7.59 3.87 0.00 2.03 1.95 0.00 3.22 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 110 K 8.13 4.11 0.00 1.89 1.93 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.49 1.47 7.81 111 I 7.98 4.31 2.23 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.24 1.14 0.00 0.00 *113 E 8.10 4.18 0.00 2.08 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 0.00 2.23 2.36 0.00 114 I 7.88 3.75 1.85 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.72 0.00 0.00 115 N 8.03 4.72 0.00 2.74 2.90 0.00 0.00 6.86 7.56 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 0.00 116 V 7.38 4.12 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 1.19 0.00 0.00 0.93 0.00 0.00 117 I 7.61 3.68 2.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 0.89 0.00 0.00 118 A 7.89 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.17 3.91 0.00 2.31 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 120 Y 8.51 4.13 0.00 3.17 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 0.00 121 G 8.24 3.61 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 0.00 0.00 0.00 122 I 7.65 3.68 1.98 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 1.74 0.96 0.90 0.00 0.00 123 L 7.94 3.89 0.00 1.78 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.12 3.60 0.00 1.22 1.74 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.31 7.81 125 T 7.75 3.79 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 1.21 0.00 0.00 126 V 7.86 3.69 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 1.02 0.00 0.00 0.91 0.00 0.00 127 T 8.22 3.87 4.18 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 1.18 0.00 0.00 128 E 8.12 4.14 0.00 2.23 2.21 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 2.56 2.32 0.00 129 I 7.08 3.92 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 0.58 0.00 0.00 *131 K 8.07 4.20 0.00 2.00 1.87 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.56 7.81 132 V 7.45 3.61 2.26 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 0.77 0.00 0.00 0.99 0.00 0.00 133 Q 7.92 4.07 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 134 K 7.43 4.00 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.45 7.81 135 N 6.81 4.85 0.00 2.61 2.63 0.00 0.00 7.27 7.98 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 0.00 136 G 7.10 4.36 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 0.00 137 Y 8.28 4.85 0.00 2.95 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.04 4.92 1.83 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 1.20 0.77 0.91 0.00 0.00 139 F 9.38 5.48 0.00 2.87 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 0.00 140 N 9.29 5.25 0.00 2.73 2.72 0.00 0.00 6.16 7.48 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 0.00 141 V 8.63 4.51 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 0.72 0.00 0.00 0.92 0.00 0.00 142 A 8.92 4.45 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 0.00 143 S 8.49 4.36 0.00 3.78 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *151 A 8.95 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.83 4.27 0.00 2.63 2.78 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 0.00 153 G 7.30 3.72 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 0.00 0.00 0.00 154 G 8.01 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 0.00 155 I 7.50 3.30 2.05 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 0.65 1.13 1.14 0.00 0.00 156 Y 8.31 4.10 0.00 3.21 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 0.00 157 G 8.27 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 0.00 0.00 0.00 158 S 7.95 4.02 0.00 3.98 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 0.00 159 T 7.77 3.91 4.27 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 0.00 0.00 0.00 1.22 0.00 0.00 160 K 7.93 3.85 0.00 1.47 2.02 0.00 1.63 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.40 7.81 161 F 8.65 4.14 0.00 2.98 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 0.00 162 A 8.34 3.93 1.42 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 0.00 0.00 0.00 163 L 7.79 3.97 0.00 1.85 1.74 0.92 0.75 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 0.00 164 L 7.89 4.08 0.00 1.74 1.57 0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.91 3.61 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 0.00 0.00 0.00 166 L 7.88 3.97 0.00 2.04 1.91 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.05 3.98 1.37 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 0.00 0.00 0.00 168 E 8.47 3.87 0.00 2.13 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 2.32 2.30 0.00 169 S 8.03 4.20 0.00 4.12 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 0.00 170 L 8.12 4.22 0.00 1.76 1.76 0.91 0.75 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 0.00 171 Y 8.24 4.06 0.00 3.10 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 0.00 172 R 7.61 3.76 0.00 1.81 1.96 0.00 3.41 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 173 E 8.37 4.07 0.00 2.05 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 2.34 2.35 0.00 174 L 8.48 4.14 0.00 1.60 1.60 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.50 3.87 1.07 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 0.00 0.00 176 P 0.00 4.37 0.00 2.18 2.12 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 177 L 8.14 4.32 0.00 1.76 1.66 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.28 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 0.00 179 I 7.33 4.74 1.88 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 1.28 0.61 0.80 0.00 0.00 180 R 8.09 4.38 0.00 0.67 0.85 0.00 2.86 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 0.00 181 V 8.05 4.94 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 0.87 0.00 0.00 0.91 0.00 0.00 182 T 8.99 5.09 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 1.42 0.00 0.00 183 T 9.14 5.00 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 1.28 0.00 0.00 184 L 9.47 5.18 0.00 1.65 1.86 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 185 C 9.40 4.99 0.00 2.88 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 0.00 186 P 0.00 5.23 0.00 1.99 1.80 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 187 G 8.12 4.15 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 0.00 0.00 0.00 188 W 9.05 4.32 0.00 3.19 3.20 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 0.00 189 V 8.25 4.59 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 0.77 0.00 0.00 0.92 0.00 0.00 190 N 9.30 4.68 0.00 2.79 2.75 0.00 0.00 6.94 5.66 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 0.00 191 T 7.73 4.76 4.26 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 1.22 0.00 0.00 192 D 8.45 4.34 0.00 2.87 2.95 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 *194 A 8.17 4.59 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.86 3.98 0.00 2.10 1.90 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 196 K 8.35 3.85 0.00 1.84 1.90 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.43 7.81 197 A 8.14 4.41 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 198 G 8.27 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 0.00 0.00 0.00 199 T 7.70 2.79 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 1.13 0.00 0.00 200 P 0.00 4.21 0.00 1.63 1.75 0.00 2.54 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.35 0.00 201 F 6.74 4.84 0.00 2.87 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 0.00 202 K 9.21 4.25 0.00 1.78 1.93 0.00 1.69 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 1.45 1.57 7.81 203 D 8.90 4.51 0.00 2.64 2.82 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 0.00 204 E 8.06 4.23 0.00 2.07 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 2.28 2.28 0.00 205 E 7.75 4.11 0.00 2.19 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 2.36 2.31 0.00 *207 I 7.57 3.92 1.98 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 1.46 0.94 0.75 0.00 0.00 208 Q 8.47 4.63 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 209 P 0.00 4.16 0.00 2.11 2.06 0.00 3.59 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 2.13 2.18 0.00 210 D 8.13 4.38 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 D 7.85 4.24 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 L 7.50 3.66 0.00 1.65 1.50 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 213 L 7.68 3.78 0.00 1.68 1.73 0.84 0.70 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 0.00 214 N 8.95 4.32 0.00 2.78 2.85 0.00 0.00 7.12 6.93 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 0.00 215 T 7.99 3.99 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 216 I 7.82 3.23 1.66 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 0.20 0.30 -0.01 0.00 0.00 217 R 7.80 3.89 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 218 C 8.11 4.29 0.00 3.02 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 0.00 219 L 8.18 4.15 0.00 1.93 1.91 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.06 4.33 0.00 1.86 1.89 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 221 N 7.61 4.81 0.00 2.75 2.89 0.00 0.00 7.02 8.57 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 0.00 222 L 7.53 4.33 0.00 1.92 1.69 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 223 S 8.38 4.33 0.00 4.02 4.02 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 0.00 0.00 0.00 0.00 224 E 8.90 3.83 0.00 1.94 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 0.00 2.29 2.39 0.00 225 N 8.01 4.59 0.00 2.72 2.81 0.00 0.00 6.81 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 0.00 226 V 7.85 4.02 2.25 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 0.82 0.00 0.00 0.96 0.00 0.00 227 C 8.63 4.84 0.00 3.02 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 0.00 228 I 8.32 4.51 1.99 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 1.36 0.70 0.93 0.00 0.00 229 K 8.53 3.67 0.00 0.79 1.38 0.00 1.44 0.00 0.00 1.30 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.11 0.44 7.81 230 D 7.52 5.17 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 I 8.62 4.42 1.80 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 1.02 0.72 0.13 0.00 0.00 232 V 8.26 4.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.88 0.00 0.00 233 F 9.26 4.77 0.00 2.94 2.94 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 0.00 234 E 8.70 4.90 0.00 1.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 *236 K 8.70 4.34 0.00 1.80 1.82 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 237 K 8.08 3.87 0.00 1.63 1.89 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 238 S 7.96 4.21 0.00 3.83 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 0.00 239 I 7.59 3.93 2.05 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 1.65 0.47 0.92 0.00 0.00 240 I 8.09 3.84 2.04 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 1.53 0.67 0.93 0.00 0.00 241 E 8.35 4.35 0.00 2.20 1.91 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 2.40 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.