NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.5819 8.3393 109.7149 45.6831 0.0000 173.2581 2 H 4.4926 7.8695 115.1016 54.5546 28.4741 176.0190 *4 S 4.1167 8.7169 111.0019 57.6634 65.0890 174.4832 5 R 3.9440 8.4143 126.4627 59.3132 29.6844 178.5478 6 N 4.2599 8.0670 116.6002 56.6066 39.0595 176.2096 7 L 4.0240 8.0284 121.2245 58.3235 42.0695 178.6002 8 L 4.0042 7.9916 118.4735 58.0406 41.3924 179.5038 9 A 4.1234 7.7051 118.7440 55.0802 18.3047 179.5218 10 I 3.8606 7.3333 117.6912 64.4609 37.5062 178.3351 11 V 3.8635 8.2427 118.6835 64.9698 31.4122 177.2259 12 H 3.9155 8.5895 119.0574 59.3090 29.6912 174.8117 13 P 4.2845 0.0000 0.0000 65.6801 31.0284 178.6823 14 I 3.7339 8.3828 119.1118 64.3331 36.8423 178.3900 15 L 3.9728 7.7301 118.1243 57.7505 41.5509 179.3116 16 R 4.0257 7.7832 117.1259 59.3073 30.2974 178.4911 17 N 4.7787 7.9662 117.3392 55.4512 38.5657 177.9198 18 L 3.8787 7.7886 121.2846 55.1560 41.9975 178.6549 *20 E 4.2544 8.1882 117.9958 56.1151 31.5648 178.2925 21 E 3.8748 8.1253 117.0553 59.4682 29.6002 178.7644 22 S 3.7297 8.2392 112.5458 59.1906 63.3130 175.4501 23 G 3.9487 7.8749 104.4991 45.0897 0.0000 171.9508 24 E 4.9464 8.0026 118.3016 53.9291 34.3482 175.2888 25 T 4.2392 8.4746 117.2472 63.9875 69.7345 173.7545 26 V 4.8751 8.8700 125.7833 61.5308 34.3440 174.2396 27 N 5.4371 8.9027 124.7348 52.0201 42.8229 172.7680 *29 A 4.6779 8.5047 120.9377 52.8747 20.5560 176.6655 30 V 4.7624 8.8011 120.7272 60.0073 34.4871 174.5387 31 L 4.0344 8.5874 125.5175 53.9833 42.8967 175.8594 32 D 4.6302 8.6451 127.5017 52.9846 40.8311 176.8405 33 Q 4.0633 8.5866 124.5967 57.6746 29.2925 178.0921 34 S 4.3069 8.0113 113.6544 60.5926 63.2645 174.9753 35 D 4.5291 8.0397 116.2790 53.7119 42.0048 175.4678 36 H 4.0724 8.2564 116.0615 56.5271 26.1180 174.1465 37 E 4.7925 7.3492 118.1118 54.5176 34.9579 176.1100 38 A 4.9370 8.6694 125.1861 50.9369 20.8206 175.7973 39 I 4.8982 8.4006 123.9574 59.8333 39.7418 175.7268 40 I 4.3265 8.9025 129.6644 61.4151 37.6207 176.7469 41 I 4.5035 8.4819 117.8820 60.3546 38.9235 173.9838 42 D 4.7301 7.3187 118.8985 53.7258 44.3274 173.6800 43 Q 4.7590 7.9417 118.8149 55.4078 32.0086 173.1432 44 V 4.3589 8.4272 125.6295 61.1789 34.1262 174.5631 45 Q 4.6559 8.7146 127.4300 55.5055 29.8315 176.3229 46 C 4.4317 8.0744 116.7635 58.1414 31.1581 173.0713 47 T 4.3410 8.0350 111.9781 62.1884 67.4704 174.4243 48 H 4.3836 7.9067 117.5911 56.6120 29.1774 176.7101 49 L 4.2833 8.3478 122.2527 54.8009 42.3500 178.6933 *51 R 4.0718 8.3260 116.7987 56.0217 29.8447 177.8906 *53 S 4.0311 9.1220 114.3394 57.8659 62.4871 171.3690 54 A 4.5922 8.1068 129.2764 49.7182 20.4733 175.0867 55 P 4.5827 0.0000 0.0000 61.7593 32.5732 176.0723 56 I 3.8769 8.0773 122.1656 62.9928 37.4683 176.6051 57 G 3.9684 9.0701 113.6278 44.8460 0.0000 173.8505 58 G 3.8305 8.2146 108.1654 46.0781 0.0000 173.4932 59 K 5.1090 8.5618 122.3847 55.0881 33.9672 175.9543 60 L 4.8248 8.3134 122.6127 52.1859 44.4338 177.1639 61 P 4.5310 0.0000 0.0000 62.6748 31.3168 176.1432 *63 H 4.7180 8.6662 110.6980 55.4224 30.3419 173.0759 64 A 4.7731 7.5085 122.8566 50.6089 19.6103 175.9424 65 S 4.7360 7.7899 113.5015 57.5709 67.4654 172.3673 66 G 3.6768 9.0435 106.7368 48.6181 0.0000 175.2263 67 A 3.8206 8.0023 120.6061 54.8199 18.7745 179.2186 68 G 3.9131 8.4671 105.1336 47.9471 0.0000 175.7619 69 K 4.0851 9.0828 120.7791 58.5765 32.0104 179.4829 70 A 3.9876 8.1481 120.6986 54.5668 18.1988 179.4899 71 F 4.4959 7.6244 115.8932 60.6627 39.5044 177.3782 72 L 4.0865 8.4751 120.1009 57.8516 42.4662 177.2094 73 A 4.7086 7.9392 121.4545 50.8628 16.4001 177.0144 74 Q 4.6728 7.6167 118.2791 56.2023 35.7635 175.8212 75 L 4.7608 7.7059 117.1557 52.4319 43.2097 177.0997 76 S 4.4253 8.4281 116.5484 58.2475 65.0650 175.2660 77 E 4.2685 8.6291 121.0840 59.1913 29.0858 179.5960 78 E 3.9617 8.0779 118.6331 59.3379 29.1466 178.9437 79 Q 3.9304 8.0653 118.0262 58.9565 28.8453 178.8301 80 V 3.5980 8.1732 119.4666 66.7067 30.9990 178.0771 81 T 3.9114 8.2232 115.3896 66.5510 68.0382 176.7135 82 K 3.8757 7.9425 120.3463 59.5728 32.1723 179.3919 83 L 3.5957 7.9245 118.5204 57.0284 41.2035 179.4764 84 L 3.9478 7.6216 119.0098 57.3527 41.5888 177.7990 85 H 4.6276 7.4536 116.6918 57.2213 30.9613 176.2482 86 R 4.0360 8.7570 121.1685 59.9072 30.0410 176.8176 87 K 4.0905 9.4069 117.0483 54.0611 33.0923 174.6980 88 G 3.4157 7.5736 105.1391 44.3447 0.0000 174.2037 89 L 3.8401 7.8225 129.0353 53.1714 40.6999 176.2436 90 H 3.9796 7.6673 118.0230 56.4857 30.7036 174.5936 91 A 4.4071 7.8411 127.4408 50.7213 18.4543 176.5264 92 Y 4.1957 8.2096 119.9401 61.5676 38.5950 176.4779 93 T 4.6919 8.9257 109.1715 59.9159 71.9379 174.1096 94 H 4.3296 8.7343 117.2794 58.1135 28.2199 175.9476 95 A 4.3866 7.2908 120.8152 52.8104 19.4235 177.6544 96 T 3.8985 7.8880 113.2595 64.2225 68.7595 175.5622 97 L 4.4186 8.2863 126.5808 54.2917 39.6988 178.0772 98 V 3.6292 7.6419 113.9174 63.2407 32.4501 177.1151 99 S 4.5305 7.3589 111.9718 56.2802 63.2625 172.5979 100 P 4.1834 0.0000 0.0000 65.7926 30.9923 178.6569 101 V 3.5835 7.4524 115.6404 66.3232 31.5513 177.7728 102 H 4.1274 8.2160 115.2744 59.0509 28.6128 176.8645 103 L 3.8977 8.1798 122.0822 58.5506 41.7258 178.8871 104 K 3.6664 8.4868 117.9921 59.7173 32.1078 178.8897 105 E 3.9006 8.1158 119.2693 59.4155 29.5396 178.4792 106 D 4.3509 8.5838 118.4597 57.1142 41.3778 178.0278 107 L 3.9598 8.6841 120.3649 57.7037 41.6150 179.1317 108 A 3.9656 8.2374 120.7522 55.5921 18.3345 179.6143 109 Q 3.9704 8.1023 116.1060 59.3583 28.4918 179.7797 110 T 3.7470 7.9787 116.7916 66.6219 68.3268 176.6785 111 R 3.9760 7.5455 118.0901 59.3356 30.2233 178.4044 112 K 3.8707 7.6571 117.6432 60.0893 32.1626 178.1846 113 R 3.8616 8.0411 118.3878 58.5139 30.0186 176.0577 114 G 4.2758 8.7436 107.0681 45.0651 0.0000 173.2020 115 Y 5.1227 6.9030 116.3478 54.6320 41.3617 175.8822 116 S 4.4796 8.6776 116.5362 58.0112 64.7706 173.5623 117 F 5.1320 8.4631 121.6908 57.7878 41.7916 172.3761 118 D 4.6139 8.9188 127.5040 52.8457 42.7386 174.5773 119 D 4.6436 8.4523 127.1225 52.3400 41.0474 175.1745 120 E 4.0335 8.5041 126.7750 57.0178 28.0177 176.1382 121 E 4.2527 9.1011 119.6060 58.4639 30.5409 177.6558 122 H 4.2340 8.2799 116.9048 58.3238 30.6069 174.9812 123 A 4.4589 7.3774 119.0002 50.4594 21.6878 175.1462 124 L 4.0946 8.4691 122.0564 56.8489 41.9527 177.9906 125 G 3.8972 9.2700 112.6239 44.7509 0.0000 171.7648 126 L 4.9270 7.7672 122.6023 53.5098 43.9764 175.4372 127 R 5.1944 9.2632 124.5072 54.8133 34.3379 174.0886 128 C 5.2869 8.7843 120.4782 58.2463 35.7471 172.6536 129 L 5.5578 9.0650 124.1949 53.1358 45.3530 175.4606 130 A 5.6791 8.9068 122.1892 49.4739 23.6680 174.6381 131 A 4.8079 8.0411 119.3915 50.6467 22.5324 176.1858 132 C 4.2822 8.6713 120.3208 60.0650 29.4063 173.0597 133 I 4.2592 8.1532 121.0793 59.4271 39.5875 175.0591 134 F 5.4656 8.8724 125.2777 55.6848 42.0938 176.1204 135 D 5.2656 9.1244 130.6432 53.9790 39.2958 177.3151 136 E 4.2750 8.9559 112.5091 59.5301 30.3111 179.8144 137 H 4.6621 7.9342 114.1155 55.2486 27.9764 175.3424 138 R 3.8831 8.3055 115.9939 57.0607 28.3844 175.9055 139 E 4.7247 9.3184 117.4837 54.5405 30.7239 173.8993 140 P 5.0400 0.0000 0.0000 61.6076 32.2636 175.5283 141 F 4.9325 8.2890 117.0801 56.3539 41.0216 174.3334 142 A 5.3082 6.6544 119.2600 50.1247 23.1088 174.4656 143 A 4.5957 8.5589 119.6386 50.7755 22.5257 175.7531 144 I 4.6630 8.1974 122.7379 59.2403 40.5162 174.5939 145 S 5.1749 9.1777 122.7573 56.8591 67.3028 172.5904 146 I 5.0494 8.7270 121.5500 59.7829 39.8990 174.8972 147 S 5.1767 8.8727 122.6780 56.9735 66.4843 173.5614 148 G 4.3034 9.1552 110.2059 45.3035 0.0000 170.3791 149 P 5.0595 0.0000 0.0000 62.3617 31.8850 177.6180 150 I 3.7482 8.7273 116.3834 64.3200 37.8134 178.3679 151 S 3.9697 8.3249 117.8089 60.7021 62.8362 175.0831 152 R 4.4439 7.2546 116.9427 56.6072 31.9018 176.6852 153 I 3.7276 7.4736 120.1861 59.7855 35.6406 175.4847 154 T 4.1877 7.4725 114.3367 60.6862 70.1405 176.1810 155 D 4.3346 8.8495 122.9085 57.8505 40.8863 178.2106 156 D 4.7664 8.0301 114.7279 53.7448 39.5847 177.1393 157 R 4.6218 8.0609 118.3703 55.8771 31.3966 177.6341 158 V 3.3779 7.3957 119.5975 66.2736 31.5011 177.9037 159 T 3.8143 7.7185 110.1684 64.3523 68.4136 175.8075 160 E 3.9347 8.0925 120.5658 58.5897 29.7342 178.3118 161 F 3.9596 8.3659 118.0527 60.1273 39.5840 177.8380 162 G 2.3004 8.3009 105.7347 46.6099 0.0000 174.3900 163 A 4.2969 7.6538 123.0812 52.4759 19.2040 179.5078 *165 V 3.9806 7.8580 122.3265 63.1645 33.8896 177.8749 166 I 3.7174 7.2743 120.9504 64.3152 36.9260 178.0496 167 K 4.0594 8.1002 120.0988 59.2770 31.5329 178.3871 168 A 4.0988 7.8793 120.2101 54.2871 18.8195 179.2985 169 A 3.9109 7.9107 119.4386 55.0500 18.5464 179.5170 170 K 3.8359 8.4508 118.6211 60.0160 32.1403 178.7704 171 E 4.0650 8.0298 118.1981 58.7541 29.1589 179.2801 172 V 3.8703 7.2676 117.0219 65.5818 31.5816 177.9090 173 T 3.9993 8.3717 115.8613 66.5792 68.0451 176.5749 174 L 4.1199 7.9464 119.4973 57.8176 42.0488 178.8778 175 A 4.1666 7.5872 119.1316 55.9079 18.2361 178.1670 176 Y 4.3352 8.5296 118.1937 59.4022 39.0436 176.2977 177 G 3.4884 7.9335 108.3481 46.8957 0.0000 173.3520 178 G 4.1530 8.5227 112.1411 46.0615 0.0000 173.2456 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 8.34 3.58 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 0.00 0.00 0.00 2 H 7.87 4.49 0.00 3.29 2.39 0.00 5.58 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *4 S 8.72 4.12 0.00 3.82 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 5 R 8.41 3.94 0.00 1.96 1.92 0.00 3.29 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 6 N 8.07 4.26 0.00 2.84 2.81 0.00 0.00 6.85 6.66 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 7 L 8.03 4.02 0.00 1.85 1.98 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.99 4.00 0.00 1.99 1.75 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.71 4.12 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 10 I 7.33 3.86 2.08 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 1.65 0.88 0.95 0.00 0.00 11 V 8.24 3.86 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 1.02 0.00 0.00 1.08 0.00 0.00 12 H 8.59 3.92 0.00 3.44 3.36 0.00 5.85 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 4.28 0.00 2.21 2.12 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 14 I 8.38 3.73 1.96 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 1.61 0.91 0.94 0.00 0.00 15 L 7.73 3.97 0.00 1.57 1.66 0.89 0.86 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 16 R 7.78 4.03 0.00 1.76 1.97 0.00 3.33 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 17 N 7.97 4.78 0.00 3.07 2.83 0.00 0.00 6.21 6.36 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 18 L 7.79 3.88 0.00 1.82 1.73 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.19 4.25 0.00 2.06 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 2.28 2.48 0.00 21 E 8.13 3.87 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 22 S 8.24 3.73 0.00 3.61 3.66 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 0.00 0.00 0.00 0.00 23 G 7.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.00 4.95 0.00 2.04 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 0.00 2.46 2.51 0.00 25 T 8.47 4.24 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 26 V 8.87 4.88 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 1.07 0.00 0.00 0.92 0.00 0.00 27 N 8.90 5.44 0.00 2.66 2.65 0.00 0.00 6.70 7.57 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 *29 A 8.50 4.68 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.76 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 0.73 0.00 0.00 1.04 0.00 0.00 31 L 8.59 4.03 0.00 0.27 1.36 0.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.65 4.63 0.00 2.75 2.64 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 33 Q 8.59 4.06 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 34 S 8.01 4.31 0.00 3.96 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 35 D 8.04 4.53 0.00 2.81 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 36 H 8.26 4.07 0.00 3.29 3.33 0.00 5.60 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 7.35 4.79 0.00 1.84 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 2.30 2.35 0.00 38 A 8.67 4.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.40 4.90 1.88 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 1.23 0.61 0.92 0.00 0.00 40 I 8.90 4.33 1.95 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 1.30 0.69 0.97 0.00 0.00 41 I 8.48 4.50 1.89 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 0.69 1.00 0.00 0.00 42 D 7.32 4.73 0.00 2.69 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 7.94 4.76 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 44 V 8.43 4.36 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 1.00 0.00 0.00 0.85 0.00 0.00 45 Q 8.71 4.66 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 2.36 2.36 0.00 46 C 8.07 4.43 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.03 4.34 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 1.12 0.00 0.00 48 H 7.91 4.38 0.00 3.21 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.35 4.28 0.00 1.65 1.70 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *51 R 8.33 4.07 0.00 1.96 1.58 0.00 3.08 0.00 0.00 3.36 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 *53 S 9.12 4.03 0.00 3.87 3.90 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 80 V 8.17 3.60 2.24 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 1.04 0.00 0.00 1.01 0.00 0.00 81 T 8.22 3.91 4.45 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 1.21 0.00 0.00 82 K 7.94 3.88 0.00 2.02 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.63 7.81 83 L 7.92 3.60 0.00 1.89 1.71 0.82 0.65 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 84 L 7.62 3.95 0.00 1.83 1.74 0.92 1.01 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 85 H 7.45 4.63 0.00 3.28 3.30 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.76 4.04 0.00 1.94 1.96 0.00 3.32 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 87 K 9.41 4.09 0.00 1.93 1.70 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 88 G 7.57 3.42 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 0.00 89 L 7.82 3.84 0.00 1.54 1.50 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.67 3.98 0.00 2.89 2.87 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.84 4.41 1.17 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 0.00 0.00 92 Y 8.21 4.20 0.00 3.15 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 93 T 8.93 4.69 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 94 H 8.73 4.33 0.00 3.25 3.53 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.29 4.39 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 96 T 7.89 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0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 113 R 8.04 3.86 0.00 1.55 1.98 0.00 2.21 0.00 0.00 2.73 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.75 0.00 114 G 8.74 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 0.00 0.00 0.00 0.00 115 Y 6.90 5.12 0.00 3.19 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 0.00 116 S 8.68 4.48 0.00 3.96 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 0.00 117 F 8.46 5.13 0.00 3.11 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 0.00 118 D 8.92 4.61 0.00 2.77 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 0.00 119 D 8.45 4.64 0.00 1.59 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 0.00 0.00 0.00 120 E 8.50 4.03 0.00 2.08 1.93 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 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0.00 1.70 1.47 1.00 0.13 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 0.00 130 A 8.91 5.68 1.13 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 0.00 0.00 131 A 8.04 4.81 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 0.00 132 C 8.67 4.28 0.00 2.45 2.28 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 0.00 133 I 8.15 4.26 1.08 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 1.01 0.87 0.42 0.00 0.00 134 F 8.87 5.47 0.00 3.07 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 0.00 135 D 9.12 5.27 0.00 2.85 2.57 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 0.00 136 E 8.96 4.28 0.00 2.11 2.24 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 1.90 2.09 0.00 137 H 7.93 4.66 0.00 3.26 3.39 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.31 3.88 0.00 1.85 1.79 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 139 E 9.32 4.72 0.00 2.55 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 140 P 0.00 5.04 0.00 2.20 1.81 0.00 3.54 0.00 0.00 4.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 141 F 8.29 4.93 0.00 3.23 3.29 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 0.00 142 A 6.65 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.56 4.60 0.49 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 0.00 144 I 8.20 4.66 1.78 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 1.23 1.65 0.84 0.00 0.00 145 S 9.18 5.17 0.00 3.96 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 0.00 146 I 8.73 5.05 2.02 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 1.25 1.05 1.20 0.00 0.00 147 S 8.87 5.18 0.00 3.70 3.70 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 0.00 148 G 9.16 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 0.00 149 P 0.00 5.06 0.00 2.08 2.15 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 150 I 8.73 3.75 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 1.38 0.77 0.89 0.00 0.00 151 S 8.32 3.97 0.00 3.84 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 0.00 152 R 7.25 4.44 0.00 1.85 1.91 0.00 2.98 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 153 I 7.47 3.73 1.67 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 1.01 -0.36 0.46 0.00 0.00 154 T 7.47 4.19 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 1.19 0.00 0.00 155 D 8.85 4.33 0.00 2.81 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 8.03 4.77 0.00 2.79 2.76 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 0.00 157 R 8.06 4.62 0.00 1.96 2.31 0.00 3.23 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 158 V 7.40 3.38 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 0.31 0.00 0.00 0.77 0.00 0.00 159 T 7.72 3.81 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 1.24 0.00 0.00 160 E 8.09 3.93 0.00 1.95 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 2.24 2.29 0.00 161 F 8.37 3.96 0.00 3.12 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 0.00 162 G 8.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.65 4.30 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 7.86 3.98 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 0.76 0.00 0.00 0.96 0.00 0.00 166 I 7.27 3.72 2.02 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.86 0.95 0.00 0.00 167 K 8.10 4.06 0.00 1.80 1.77 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.45 7.81 168 A 7.88 4.10 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 7.91 3.91 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 0.00 170 K 8.45 3.84 0.00 1.82 1.95 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.54 7.81 171 E 8.03 4.07 0.00 2.17 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 2.34 2.58 0.00 172 V 7.27 3.87 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 1.13 0.00 0.00 1.01 0.00 0.00 173 T 8.37 4.00 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 1.49 0.00 0.00 174 L 7.95 4.12 0.00 1.69 1.77 0.96 0.65 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 0.00 175 A 7.59 4.17 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 0.00 176 Y 8.53 4.34 0.00 3.15 3.33 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 0.00 177 G 7.93 3.49 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 0.00 178 G 8.52 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 * Residues marked with a * may have inaccurate shift predictions.