NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.5159 8.3016 109.0855 46.2189 0.0000 173.0121 2 H 4.2400 7.2919 124.4953 53.0877 35.0205 175.3603 *4 S 4.4416 8.7879 112.9699 57.7327 66.0821 173.2416 5 R 3.9698 8.3402 118.7464 59.5927 29.2460 178.6944 6 N 4.3449 8.1199 116.7254 55.9552 38.6740 176.9294 7 L 4.0667 8.0976 121.7773 58.1779 42.1973 178.9740 8 L 4.0306 8.4676 119.1682 57.6816 41.3083 179.2997 9 A 4.0390 7.9195 120.1245 55.2308 18.4493 179.4330 10 I 3.9352 7.6209 110.0097 63.1896 38.2441 177.8335 11 V 4.0571 7.7804 119.5337 62.4810 31.7854 177.3098 12 H 3.9938 8.2130 120.0605 59.3110 29.6716 174.9410 13 P 4.2130 0.0000 0.0000 65.8114 31.0503 178.6200 14 I 3.7688 7.7848 118.6558 64.1686 36.7566 178.4208 15 L 3.9580 7.7074 118.6666 57.6340 41.5812 179.1290 16 R 4.0225 7.8014 117.2514 59.5153 30.2700 178.6067 17 N 4.5051 8.2073 116.1052 55.8343 38.3796 177.4505 18 L 4.2178 7.8667 120.9060 55.2649 41.8058 178.6208 *20 E 4.2043 8.1602 117.9066 55.9232 31.4412 178.0042 21 E 3.7784 8.3911 118.6231 58.8739 29.8282 177.8808 22 S 3.8349 8.2115 112.7733 58.6560 63.5910 175.3860 23 G 3.9567 7.7944 106.9418 45.4186 0.0000 172.1354 24 E 4.9620 7.9683 118.1902 54.0173 34.4438 175.2094 25 T 4.3054 8.1768 117.3958 63.9276 69.8116 173.8289 26 V 4.7507 8.6875 125.5212 61.4061 34.1646 173.8189 27 N 5.5659 9.0690 126.2184 52.2385 42.5940 173.1428 *29 A 4.6689 8.4629 121.9053 53.1647 20.7672 176.4239 30 V 4.9348 8.4448 111.8758 59.2383 36.4774 174.4773 31 L 4.0410 8.1093 123.5037 54.5308 43.0075 175.3421 32 D 4.6976 9.1543 126.8637 52.6592 41.9265 177.0530 33 Q 3.7764 8.7569 125.5683 58.5778 28.8717 177.7044 34 S 4.5761 8.2756 110.9526 58.1643 62.9700 173.5001 35 D 4.6350 7.9983 116.6194 54.6550 42.3801 175.4396 36 H 4.0708 7.3653 112.2524 56.7791 28.1268 172.2803 37 E 4.8695 7.2589 122.3901 54.6167 35.1505 174.9309 38 A 4.8815 8.6873 122.7719 50.9956 21.2995 176.1083 39 I 4.8687 8.7526 120.4407 58.8908 41.2795 174.7559 40 I 4.2718 8.9385 131.2437 61.7275 37.1948 176.3940 41 I 3.8637 8.5702 120.5132 61.4158 39.3493 174.9549 42 D 4.7800 7.7814 119.7421 53.1322 44.3607 173.2656 43 Q 4.7990 8.0371 120.4902 55.1710 32.2064 173.3087 44 V 4.3799 8.5064 125.2362 61.1327 33.9446 174.7780 45 Q 4.6694 8.7281 127.3890 55.4997 29.7584 176.1492 46 C 4.4607 8.3023 117.9030 58.3688 30.7334 173.3881 47 T 4.4540 8.0053 107.2325 61.3648 69.0442 174.2792 48 H 4.2236 7.9923 119.5350 56.3727 29.1094 175.8927 49 L 4.0792 8.5897 120.4251 55.9418 42.8671 177.6440 *51 R 4.2929 8.1043 117.3162 56.1645 29.8583 176.8039 *53 S 4.2527 9.0885 105.0991 57.3664 64.6008 174.1809 54 A 4.1054 8.0815 122.9989 52.8155 18.9995 176.3822 55 P 4.6937 0.0000 0.0000 61.2677 32.9776 175.6704 56 I 3.9170 7.9993 120.1594 63.0061 37.4086 176.7124 57 G 4.0432 9.5304 114.1162 45.2554 0.0000 174.3289 58 G 3.8738 8.1187 107.4893 46.6980 0.0000 172.6957 59 K 5.2366 8.5498 120.9432 54.4522 34.5945 175.7514 60 L 4.8794 9.0242 123.6332 51.7736 45.1641 174.6565 61 P 4.7165 0.0000 0.0000 63.0093 30.6451 178.0896 *63 H 4.7728 8.7148 111.2817 54.8965 30.0741 173.5774 64 A 4.5495 7.7730 119.8670 50.7013 20.5193 175.7552 65 S 5.0424 7.5622 110.9778 55.7316 67.2662 174.8091 66 G 3.6806 8.5804 108.3212 48.1879 0.0000 175.5789 67 A 4.1014 8.0833 123.3628 54.3977 18.4069 179.6989 68 G 3.9299 8.1837 105.4154 47.6789 0.0000 176.2012 69 K 4.0845 8.4192 121.6484 58.4542 31.7643 179.2630 70 A 3.9870 8.0228 120.8163 55.3235 18.5258 179.4656 71 F 4.2738 8.0898 115.8102 60.7772 39.2177 177.7439 72 L 4.0151 8.5307 120.1200 58.1165 41.6384 178.6604 73 A 4.2493 8.3872 119.7280 53.9101 18.3992 177.7468 74 Q 4.6073 8.0362 114.0317 55.5370 30.4222 175.8605 75 L 4.5506 7.3545 117.4469 53.3095 43.1061 177.2679 76 S 4.3569 8.3305 115.3185 58.4095 64.8109 174.8280 77 E 3.9206 8.7768 123.2066 59.6473 29.2887 178.8717 78 E 3.9504 8.1148 118.8824 59.1245 29.6867 178.6767 79 Q 4.0060 8.2205 118.3762 58.7466 28.7596 178.6228 80 V 3.5323 7.9192 119.2989 66.2917 31.5045 178.1844 81 T 3.7063 8.1349 115.7137 66.4664 68.2177 176.4017 82 K 3.8462 7.9455 121.4900 59.3451 32.1209 178.2776 83 L 3.7873 7.9480 120.6544 58.2731 42.0020 178.9378 84 L 3.9031 7.9378 118.7048 58.1248 41.3484 179.1297 85 H 4.6130 8.1126 114.5352 57.9986 29.0684 177.5265 86 R 4.1888 8.1146 119.1981 58.1436 30.3624 177.6481 87 K 4.0174 8.1365 118.5186 57.2697 32.7535 178.0414 88 G 4.0864 8.1013 100.7788 45.4782 0.0000 173.5254 89 L 4.0094 7.6372 119.7894 52.2948 40.5632 174.9552 90 H 3.9329 8.1198 120.1128 55.8730 30.4774 175.0533 91 A 4.1543 8.1663 129.7282 51.6990 17.3930 176.5550 92 Y 4.0875 8.3770 120.2905 61.5326 38.3185 176.4208 93 T 4.7713 8.2246 108.4194 59.7134 72.0941 174.0986 94 H 4.1924 8.8624 116.3416 57.5873 28.2994 175.7519 95 A 4.4313 7.3865 121.6588 52.4666 19.9193 177.4602 96 T 3.7782 7.3363 113.2016 63.8695 68.7895 174.2137 97 L 4.2381 8.4901 126.2254 54.8779 40.6840 176.8941 98 V 4.1877 8.2162 116.3730 61.0497 33.3083 176.6370 99 S 4.5828 7.7644 115.3685 56.2736 63.8309 172.3216 100 P 4.2183 0.0000 0.0000 65.8135 31.1418 178.8669 101 V 3.5402 7.6011 116.3654 66.4510 31.5791 177.7797 102 H 4.3554 8.1036 115.9272 58.4477 28.3748 177.6761 103 L 3.9535 8.1299 122.4081 58.1965 41.9902 179.1727 104 K 3.9606 8.2983 118.7324 59.3483 31.8551 179.0475 105 E 3.8982 8.1658 119.4923 59.3317 29.5578 178.1042 106 D 4.3410 8.2414 118.1564 57.6236 41.1721 178.4424 107 L 3.9739 8.3743 119.4263 57.5473 41.6600 179.3553 108 A 3.9653 8.1113 120.8076 55.2098 18.2989 179.4765 109 Q 3.8994 8.2999 116.8923 59.5234 28.7546 179.1606 110 T 3.9743 7.8800 117.9904 66.1813 68.3407 176.5041 111 R 3.9203 7.6977 117.9892 59.2477 30.1529 179.1436 112 K 4.1069 7.6115 116.7724 59.5048 32.2659 179.4105 113 R 4.1072 7.8584 114.5555 57.2325 29.6576 177.5103 114 G 4.0753 9.6771 107.5767 44.9173 0.0000 172.3546 115 Y 5.1971 6.9150 116.4193 55.5776 41.4353 174.4885 116 S 4.5628 9.2250 116.9178 58.0800 65.6107 173.2232 117 F 5.2328 8.4720 122.7738 57.3044 41.6680 173.2918 118 D 4.4359 9.5925 128.7891 53.6475 41.8114 174.6732 119 D 4.6397 8.6098 128.6203 52.7292 39.8754 175.4136 120 E 4.0676 8.4803 123.9142 56.9064 28.0447 175.9374 121 E 4.2085 8.7217 119.5090 57.8059 30.3352 177.2232 122 H 4.2235 8.1815 116.7216 57.1658 31.2502 174.7098 123 A 4.6150 7.2690 119.7297 50.2807 21.8999 175.2028 124 L 4.1688 8.3744 122.1916 56.2411 42.2477 178.1591 125 G 3.9131 10.2324 112.4184 45.0923 0.0000 172.1143 126 L 4.9920 7.6111 122.5365 53.4770 44.0082 175.3548 127 R 5.3091 8.8690 124.4995 54.8146 34.0338 174.4618 128 C 5.4304 9.1205 118.4042 58.3052 33.1801 172.9717 129 L 5.5873 9.0072 121.3546 53.2564 44.7755 175.4662 130 A 5.7401 9.2178 122.5347 50.6719 23.3916 174.7538 131 A 4.9139 8.1998 119.1126 50.5789 23.0117 175.5877 132 C 4.3164 8.4902 116.9385 59.0977 29.8209 173.0426 133 I 4.2490 7.7453 121.9037 59.4876 39.0117 175.0456 134 F 5.2839 8.6303 125.5002 55.6822 41.5259 175.4215 135 D 4.7515 8.7361 124.4237 51.7974 41.4911 176.6968 136 E 4.0700 8.8871 115.9113 59.3767 29.5681 177.0777 137 H 4.6664 8.3607 114.9399 55.2499 29.0767 174.9423 138 R 4.0371 8.0367 117.5743 57.2799 28.3261 175.6153 139 E 4.8849 8.6493 116.6351 53.7867 31.5049 173.9416 140 P 4.3124 0.0000 0.0000 62.5941 31.7992 175.8160 141 F 5.1373 8.1448 117.1733 56.1053 39.0227 174.3318 142 A 4.8758 7.1090 119.4361 51.9739 22.3280 175.0334 143 A 4.5796 8.5734 120.0394 50.5902 22.6222 175.9137 144 I 4.6649 8.3615 122.6431 59.6022 39.7155 175.0786 145 S 5.2892 8.9556 120.5883 56.6023 66.6203 172.6986 146 I 5.0146 8.6679 122.5820 59.9146 39.6916 174.9053 147 S 5.0476 9.0002 122.2766 57.1167 67.1326 173.5982 148 G 4.2940 9.0673 110.6067 45.4865 0.0000 170.5248 149 P 5.0140 0.0000 0.0000 62.4032 31.8764 177.5651 150 I 3.9919 8.6889 116.5017 64.2424 37.7478 178.2677 151 S 4.1738 8.3398 116.3132 60.4831 62.9549 174.9531 152 R 4.3793 7.2371 118.0358 57.6196 31.5787 177.2242 153 I 3.6337 7.8334 120.2032 60.3322 35.3453 175.5956 154 T 4.3379 7.4009 114.9378 60.1789 70.6856 176.3744 155 D 4.3553 8.7374 121.9249 57.7341 40.5043 178.6567 156 D 4.4877 8.0107 116.8661 55.2012 39.9251 177.4630 157 R 4.3901 7.9774 119.2391 56.7178 30.6071 178.1919 158 V 3.2440 7.2232 119.4890 66.3218 31.3082 177.9863 159 T 3.6919 7.7761 108.6675 64.6632 68.2529 175.2007 160 E 3.8202 8.1993 120.7475 59.5580 29.6047 178.2981 161 F 3.9281 8.4792 116.9002 60.3629 39.2704 177.4239 162 G 2.8486 7.8603 105.2747 47.4963 0.0000 177.2524 163 A 4.2580 7.7973 122.5453 51.6492 18.3160 179.6765 *165 V 3.9276 7.8037 122.4587 63.4037 33.6257 177.4824 166 I 3.6682 7.8943 121.4561 64.1959 36.9543 178.1682 167 K 3.8739 8.0945 119.7865 59.4546 32.0537 178.6733 168 A 3.9286 7.9014 120.2783 54.9651 18.3112 179.1102 169 A 3.8262 8.3059 119.7426 55.2461 18.3976 179.5943 170 K 3.8539 8.2787 118.2599 59.9663 32.2194 178.7495 171 E 3.9913 8.3056 118.6619 59.3202 29.2845 179.6501 172 V 3.6137 7.7957 118.2855 66.1494 31.5508 177.9907 173 T 4.0103 8.2003 115.8998 67.0262 68.4212 176.4500 174 L 4.0396 8.4102 120.7129 57.7927 41.3765 179.5547 175 A 4.0715 8.0373 120.1081 55.1050 18.2748 178.8001 176 Y 4.2574 8.7517 118.7767 60.8281 38.9711 178.2025 177 G 3.9352 8.6685 107.0767 47.7935 0.0000 176.3345 178 G 3.7507 7.6756 104.7046 45.0309 0.0000 174.4485 *180 R 4.1223 8.0765 122.8351 55.5639 31.6494 175.6903 181 G 4.0914 7.8350 105.8536 44.9488 0.0000 173.7747 182 S 4.1182 7.7119 120.1462 58.3985 62.6363 173.8281 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.30 3.52 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 2 H 7.29 4.24 0.00 3.05 2.36 0.00 5.96 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 8.79 4.44 0.00 4.19 4.14 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 5 R 8.34 3.97 0.00 2.13 2.27 0.00 3.03 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 6 N 8.12 4.34 0.00 2.86 2.93 0.00 0.00 6.77 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 7 L 8.10 4.07 0.00 1.93 1.94 1.08 0.95 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 8 L 8.47 4.03 0.00 1.98 1.74 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.92 4.04 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 10 I 7.62 3.94 1.90 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 1.79 0.75 0.93 0.00 0.00 11 V 7.78 4.06 2.11 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 0.94 0.00 0.00 0.93 0.00 0.00 12 H 8.21 3.99 0.00 3.44 3.39 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.21 0.00 2.19 2.10 0.00 3.79 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 14 I 7.78 3.77 2.01 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 1.67 0.78 0.88 0.00 0.00 15 L 7.71 3.96 0.00 1.56 1.65 0.90 0.85 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 16 R 7.80 4.02 0.00 1.87 1.97 0.00 3.25 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 17 N 8.21 4.51 0.00 2.70 2.82 0.00 0.00 6.72 6.10 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 18 L 7.87 4.22 0.00 1.80 1.72 0.79 0.75 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 *20 E 8.16 4.20 0.00 2.17 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 2.43 2.23 0.00 21 E 8.39 3.78 0.00 1.89 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 2.18 2.16 0.00 22 S 8.21 3.83 0.00 3.37 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 23 G 7.79 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 24 E 7.97 4.96 0.00 2.07 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 2.48 2.69 0.00 25 T 8.18 4.31 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 26 V 8.69 4.75 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 0.94 0.00 0.00 0.96 0.00 0.00 27 N 9.07 5.57 0.00 2.60 2.64 0.00 0.00 6.54 7.14 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 *29 A 8.46 4.67 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.44 4.93 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 0.82 0.00 0.00 0.94 0.00 0.00 31 L 8.11 4.04 0.00 1.07 1.26 -0.29 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 9.15 4.70 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.76 3.78 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 34 S 8.28 4.58 0.00 3.82 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 35 D 8.00 4.63 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.37 4.07 0.00 3.25 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.26 4.87 0.00 1.89 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 2.33 2.57 0.00 38 A 8.69 4.88 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 39 I 8.75 4.87 1.86 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 1.24 1.74 0.96 0.00 0.00 40 I 8.94 4.27 1.89 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 1.31 0.89 0.96 0.00 0.00 41 I 8.57 3.86 1.89 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 1.25 0.64 0.93 0.00 0.00 42 D 7.78 4.78 0.00 2.61 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 43 Q 8.04 4.80 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.60 0.00 44 V 8.51 4.38 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 0.91 0.00 0.00 0.84 0.00 0.00 45 Q 8.73 4.67 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 46 C 8.30 4.46 0.00 3.10 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 47 T 8.01 4.45 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 48 H 7.99 4.22 0.00 3.19 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.59 4.08 0.00 1.65 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *51 R 8.10 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0.00 0.00 0.00 1.49 1.62 7.81 70 A 8.02 3.99 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 0.00 0.00 0.00 0.00 0.00 71 F 8.09 4.27 0.00 3.32 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 72 L 8.53 4.02 0.00 1.98 1.73 0.95 1.06 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 73 A 8.39 4.25 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 74 Q 8.04 4.61 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 75 L 7.35 4.55 0.00 1.82 1.66 1.00 0.92 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 76 S 8.33 4.36 0.00 4.07 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 77 E 8.78 3.92 0.00 2.11 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 2.39 2.44 0.00 78 E 8.11 3.95 0.00 2.05 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 2.38 2.35 0.00 79 Q 8.22 4.01 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 80 V 7.92 3.53 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 1.09 0.00 0.00 1.02 0.00 0.00 81 T 8.13 3.71 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 1.19 0.00 0.00 82 K 7.95 3.85 0.00 2.04 1.92 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 83 L 7.95 3.79 0.00 1.45 1.71 0.92 0.95 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 84 L 7.94 3.90 0.00 1.73 1.56 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.11 4.61 0.00 3.17 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.11 4.19 0.00 1.86 1.98 0.00 3.16 0.00 0.00 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0.00 0.00 1.74 1.58 0.00 128 C 9.12 5.43 0.00 2.88 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 0.00 129 L 9.01 5.59 0.00 1.70 1.52 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 130 A 9.22 5.74 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 0.00 131 A 8.20 4.91 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 0.00 132 C 8.49 4.32 0.00 2.25 1.83 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 0.00 133 I 7.75 4.25 0.98 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 0.85 0.80 0.37 0.00 0.00 134 F 8.63 5.28 0.00 3.06 3.02 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 0.00 135 D 8.74 4.75 0.00 2.59 2.33 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 0.00 136 E 8.89 4.07 0.00 2.12 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 0.00 1.97 2.19 0.00 137 H 8.36 4.67 0.00 3.40 3.41 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.04 4.04 0.00 1.97 2.00 0.00 3.20 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 139 E 8.65 4.88 0.00 2.29 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 2.34 2.34 0.00 140 P 0.00 4.31 0.00 2.06 1.63 0.00 3.84 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 141 F 8.14 5.14 0.00 2.98 3.08 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 0.00 0.00 0.00 0.00 142 A 7.11 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.57 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.36 4.66 1.80 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 1.21 0.59 0.92 0.00 0.00 145 S 8.96 5.29 0.00 3.88 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 0.00 146 I 8.67 5.01 2.06 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 1.21 0.70 1.13 0.00 0.00 147 S 9.00 5.05 0.00 3.73 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 0.00 148 G 9.07 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 0.00 0.00 0.00 0.00 149 P 0.00 5.01 0.00 2.10 2.17 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 150 I 8.69 3.99 1.86 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 1.41 0.77 0.91 0.00 0.00 151 S 8.34 4.17 0.00 3.98 4.04 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 0.00 152 R 7.24 4.38 0.00 1.70 2.01 0.00 2.98 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 153 I 7.83 3.63 1.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.46 0.15 0.00 0.00 154 T 7.40 4.34 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 1.24 0.00 0.00 155 D 8.74 4.36 0.00 2.71 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.01 4.49 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 7.98 4.39 0.00 1.83 2.14 0.00 3.19 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 158 V 7.22 3.24 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.58 0.00 0.00 159 T 7.78 3.69 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 1.26 0.00 0.00 160 E 8.20 3.82 0.00 2.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 161 F 8.48 3.93 0.00 2.96 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 0.00 162 G 7.86 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 0.00 0.00 0.00 163 A 7.80 4.26 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 *165 V 7.80 3.93 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 0.90 0.00 0.00 0.96 0.00 0.00 166 I 7.89 3.67 2.02 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 1.61 0.89 0.94 0.00 0.00 167 K 8.09 3.87 0.00 1.98 1.76 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 168 A 7.90 3.93 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 0.00 169 A 8.31 3.83 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 0.00 170 K 8.28 3.85 0.00 1.88 2.07 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 171 E 8.31 3.99 0.00 2.22 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 2.52 0.00 172 V 7.80 3.61 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 173 T 8.20 4.01 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 1.46 0.00 0.00 174 L 8.41 4.04 0.00 1.86 1.76 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.04 4.07 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 0.00 176 Y 8.75 4.26 0.00 3.32 3.32 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 0.00 177 G 8.67 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 0.00 0.00 0.00 178 G 7.68 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *180 R 8.08 4.12 0.00 1.23 1.84 0.00 3.11 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 181 G 7.83 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 0.00 0.00 0.00 0.00 182 S 7.71 4.12 0.00 3.92 3.75 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.