NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 5.2611 8.3093 115.9774 56.8490 39.5700 173.8206 5 V 4.4769 8.8648 120.3535 59.6712 34.6150 172.6962 6 I 5.1462 8.4278 124.5533 59.9239 39.1466 176.2740 7 R 4.8264 8.7881 122.2184 54.0732 33.2442 172.8212 8 P 4.9992 0.0000 0.0000 62.2684 32.3020 176.0782 9 A 4.6566 8.6817 124.5494 52.4426 19.3533 176.9870 10 T 4.7536 9.8025 114.9499 61.4595 72.6240 175.5691 11 A 2.5800 8.1637 126.5429 54.6570 18.2311 179.1843 12 A 4.3118 7.6182 115.9309 53.4376 19.3459 178.1197 13 D 4.5971 9.0896 116.5041 54.9441 41.0705 177.8320 14 C 4.0960 7.6112 117.9992 63.1581 28.2086 176.2348 15 S 4.1241 7.9670 114.9824 61.5492 62.6085 176.0935 16 D 4.2006 7.9252 122.0199 56.9086 40.5206 178.5954 17 I 3.2506 7.7390 120.3969 64.1073 37.0375 178.1962 18 L 3.7841 7.7974 121.1070 57.9681 41.9137 178.8014 19 R 3.7555 7.7324 118.6176 59.6307 29.9194 178.5615 20 L 3.8812 7.7878 118.6597 57.5399 41.4686 179.4823 21 I 3.6514 7.5459 120.2560 64.3392 36.9480 178.6574 22 K 3.9624 8.1068 119.4513 59.3259 31.7779 179.3440 23 E 3.7987 7.8785 119.0197 59.0169 29.0522 179.1634 24 L 3.4306 7.2823 119.6594 57.7536 42.4537 178.3890 25 A 4.1335 8.1445 121.1674 55.2120 18.2261 179.3300 26 R 3.7616 8.0038 117.1815 60.0130 29.9178 178.0538 27 Y 3.8129 7.8639 117.4734 59.8336 38.6898 176.4070 28 E 4.5302 7.8674 116.9804 55.4377 30.0064 175.4095 29 Y 3.4319 7.0111 117.6957 58.7170 35.4797 169.1265 *31 E 4.3844 7.9498 122.6418 56.0572 31.7924 177.7658 32 E 4.0595 8.1803 116.1508 59.1036 29.6444 177.5448 33 Q 4.3224 7.9434 115.2629 55.7298 29.1208 175.8939 34 V 3.7156 7.5566 119.5924 63.0177 31.6958 175.5944 35 I 4.4320 8.2617 118.6837 60.2481 38.4338 175.1019 36 L 4.2833 7.8010 123.5268 54.9998 42.8097 176.0766 37 T 4.7307 8.3006 114.9375 59.4937 72.8656 175.1947 38 E 3.9977 8.5694 120.4305 59.3156 29.4074 179.7648 39 K 3.9648 8.0061 118.0802 59.6298 32.2304 178.7964 40 D 4.3964 8.4713 119.4341 57.3600 40.6935 178.6136 41 L 4.5017 8.3081 122.4311 57.6753 42.0910 178.8586 42 L 4.3234 8.3302 120.3438 58.2290 41.8155 178.8016 43 E 4.0894 8.0720 117.4560 59.7881 29.8588 178.8879 44 D 4.3787 8.7094 119.3708 56.7509 40.6228 178.5364 45 G 3.2620 8.1225 106.9114 45.9203 0.0000 173.5840 46 F 4.8727 7.3293 117.1096 55.2081 40.8071 175.5231 47 G 3.9771 8.4416 111.8027 46.6641 0.0000 172.8403 48 E 4.8311 8.2338 125.4736 56.0816 32.6521 177.2941 49 H 4.4670 8.2889 123.0915 54.8964 27.9454 172.8677 50 P 4.4040 0.0000 0.0000 62.0818 31.6356 176.4659 51 F 4.5724 8.6099 127.0662 60.6690 39.5714 173.8763 52 Y 4.9605 6.6078 116.1355 55.5266 42.0412 173.2615 53 H 4.9244 8.6336 115.4142 54.0959 32.2598 173.2875 54 C 5.3312 8.6106 118.5861 58.0117 32.2132 172.8135 55 L 5.3706 9.0425 120.8536 53.2437 45.3570 176.0246 56 V 5.1863 9.1108 113.9469 59.6889 36.5035 174.2230 57 A 5.4028 8.8487 125.6866 50.1234 21.4396 175.2130 58 E 5.1077 9.0739 120.7767 54.6967 32.5863 175.9900 59 V 4.9210 8.3066 116.4924 59.0347 34.1424 174.0551 60 P 4.8161 0.0000 0.0000 62.2839 32.5592 177.6074 61 K 2.4800 8.5554 118.6241 59.3716 31.8178 179.0083 62 E 3.9895 8.1541 115.7905 59.0437 29.4094 177.4951 63 H 4.9932 8.4601 113.3969 54.9278 29.9019 173.4465 64 W 4.6154 8.2206 120.8012 57.1022 29.1545 175.5935 65 T 4.6169 8.7883 109.8469 60.1932 69.4118 174.0640 66 P 4.3930 0.0000 0.0000 65.9253 31.3843 177.0480 67 E 4.2952 8.2432 114.9728 55.9321 29.2899 177.2394 68 G 4.2428 9.4619 107.5639 45.8784 0.0000 174.1911 69 H 4.1300 7.9286 118.7827 55.7652 29.3827 176.3237 70 S 3.4506 7.7143 117.7771 59.1337 63.9720 174.0018 71 I 4.2266 7.2681 121.7859 61.3851 36.5731 175.5774 72 V 4.2331 8.5421 118.2942 60.7889 32.9833 175.5401 73 G 4.3410 7.5215 107.2879 45.5615 0.0000 171.7506 74 F 5.4070 8.8404 113.4190 56.5899 41.7526 172.8298 75 A 5.3060 8.5243 119.9266 49.9127 22.7736 174.4049 *77 Y 4.7725 8.3306 113.2063 57.6902 39.9860 173.3028 78 Y 4.9173 8.1315 116.8535 56.1696 42.0463 173.2627 79 F 5.5059 8.7720 118.4191 56.6672 40.9681 175.4678 80 T 5.0165 9.1755 112.2391 60.3416 72.6163 171.5227 81 Y 5.1708 8.5429 120.6085 56.1373 42.2906 173.9734 82 D 4.9055 8.1760 125.1413 51.5754 43.4048 174.7650 83 P 4.4156 0.0000 0.0000 65.5162 31.6241 177.7840 84 W 4.4645 8.8494 118.5274 59.0714 29.1944 177.0366 85 I 4.3707 8.5011 107.7508 59.9562 38.7175 177.0459 86 G 2.9064 8.4651 108.9668 44.1391 0.0000 173.1404 87 K 4.4728 8.3472 123.1579 57.2083 33.1123 176.5673 88 L 5.2526 9.1420 127.0444 52.8620 45.5970 174.9112 89 L 4.9027 8.5630 123.6632 53.8798 43.5669 174.9135 90 Y 4.4867 9.3723 128.5107 55.6358 41.1549 173.9746 91 L 4.3049 7.9459 130.2809 53.8575 41.9760 175.9182 92 E 4.2577 8.6427 127.9740 58.5957 30.3831 176.4816 93 D 4.8282 7.5267 116.8011 52.5801 44.8843 174.1982 94 F 5.0471 8.3211 124.0254 57.2497 42.2677 173.0043 95 F 4.5735 8.8435 127.7592 55.8603 43.1748 172.1595 96 V 3.8434 6.4096 125.5470 62.7546 33.1064 176.0707 *98 S 4.3379 9.0304 110.4627 58.1382 63.3924 175.1970 99 D 4.1517 7.9657 117.3394 56.6752 40.6422 176.6307 100 Y 3.3767 7.4120 114.5651 57.2756 38.2576 175.6331 101 R 3.7181 6.8869 120.9995 55.8648 31.0780 177.4165 102 G 4.0249 8.1933 105.2972 46.2960 0.0000 174.6311 103 F 4.6905 7.4273 117.3303 58.3370 39.6589 176.8219 104 G 4.2814 8.4581 107.0570 45.3536 0.0000 175.3813 105 I 2.7679 7.7946 121.4972 64.0849 37.0560 178.2305 106 G 3.5770 7.7676 105.8564 47.9607 0.0000 175.6097 107 S 4.4126 8.2118 116.8913 61.6169 62.8432 176.4879 108 E 4.1287 8.2772 120.8460 59.4319 29.1275 179.5115 109 I 3.7436 7.8011 119.8217 64.4118 37.2243 178.5385 110 L 3.7713 8.1686 119.7806 57.2270 41.4236 179.6042 111 K 3.9041 8.0856 119.9486 59.4716 32.1780 178.4296 112 N 4.2974 8.3567 117.5371 56.6913 38.7935 176.7685 113 L 3.6814 8.1081 120.7359 57.8479 41.3984 179.7301 114 S 4.0534 7.7025 114.2338 61.6104 62.7823 176.4568 115 Q 4.1207 7.6959 119.9306 58.6451 28.6489 178.3730 116 V 3.7942 7.8639 119.2851 65.8149 31.5178 178.3732 117 A 4.2669 7.8147 116.5549 53.1951 17.6836 178.8224 *119 R 4.1555 7.8450 121.5779 57.8817 31.6289 176.0772 120 C 4.3215 8.3711 112.5017 58.9496 28.3713 173.6785 121 R 3.7744 7.6757 117.0843 57.3510 27.0429 176.0199 122 C 4.7601 8.4142 114.3639 58.9020 29.6638 175.0867 123 S 4.4954 8.4565 119.5377 60.0205 63.9807 174.7224 124 S 4.2060 7.3209 117.5785 58.3592 68.9957 173.8110 *126 H 4.5316 8.7110 114.6398 55.6681 30.2590 172.0261 127 F 4.2567 7.0894 113.1468 56.4327 39.9710 172.9553 128 L 4.7328 8.5581 119.3061 53.1217 43.7831 176.4362 129 V 4.4876 7.8933 119.4967 60.7075 34.9228 175.0381 130 A 3.6672 8.3221 129.1853 51.6113 18.9084 177.7536 131 E 3.7753 8.1888 123.5552 58.9311 29.5221 177.9291 132 W 4.6515 6.8896 111.7173 56.7882 29.4306 176.7245 133 N 4.8173 7.6604 120.3402 52.2051 34.9071 174.3478 134 E 3.9655 8.1376 126.7144 59.3090 30.2272 175.9201 135 P 4.2526 0.0000 0.0000 66.0278 31.4829 178.8280 136 S 4.0269 8.0186 113.1757 61.3733 62.8408 176.4951 137 I 3.9867 8.2522 123.0677 64.5745 36.7886 178.1756 138 N 4.4407 8.3541 117.2907 55.9593 38.2792 177.0638 139 F 4.0344 8.0467 121.1762 61.7090 39.6283 176.6552 140 Y 4.3131 8.1018 115.9898 61.1087 37.7831 178.2804 141 K 4.2021 8.2255 119.4128 59.5969 31.9489 179.4568 142 R 4.0858 8.5913 117.2714 57.9068 29.8928 177.5201 143 R 4.4064 7.7907 117.4749 55.8458 30.5079 176.8337 144 G 3.8448 8.3072 104.6239 45.5313 0.0000 174.4447 145 A 4.3389 7.7403 121.6004 51.4169 19.3366 177.6057 146 S 4.6429 8.0645 113.7453 55.9736 66.0241 174.6387 147 D 4.5065 8.2940 121.5940 53.1331 40.7632 176.8614 148 L 3.9953 8.1576 127.8164 57.5898 41.2712 179.3293 149 S 4.3569 8.1708 114.8042 61.0597 62.5546 176.5286 150 S 4.2031 8.0859 117.3131 61.3028 63.0363 176.1175 151 E 4.1265 8.2243 119.8996 58.8342 28.0371 177.9291 152 E 4.2445 8.2049 115.7282 55.2505 30.2614 177.0048 153 G 3.8443 8.0397 105.7603 45.8271 0.0000 174.0743 154 W 4.5152 7.1489 118.7656 56.3088 29.5626 176.0951 155 R 4.7189 8.6572 120.6648 54.0735 32.7598 174.9228 156 L 4.2966 8.7260 124.9705 54.8492 42.6696 175.8629 157 F 4.8905 8.8439 124.2928 55.5217 41.9608 174.7321 158 K 4.7156 8.3270 120.3027 55.3402 35.4009 176.0508 159 I 4.5110 8.1648 120.6051 59.0658 39.8511 175.8208 160 D 4.7124 8.7329 125.4987 53.1230 42.9098 177.0420 161 K 3.8331 8.6956 121.6607 60.1549 31.9564 178.2575 162 E 3.8946 8.0726 116.8914 59.6727 29.0777 178.3883 163 Y 4.2282 7.4756 115.9076 60.1557 38.2273 177.4199 164 L 4.1967 7.6638 119.4887 57.5648 42.0484 178.7177 165 L 4.1535 8.3393 120.7403 58.0518 41.9651 179.4992 166 K 3.7576 7.8004 114.0495 57.6352 31.6271 178.3092 *168 A 4.2781 7.8775 124.1262 52.1978 20.1882 178.7366 169 T 4.2768 7.8070 103.7401 62.9650 69.7868 176.0364 170 E 3.9746 8.3404 122.4022 58.9943 29.6615 176.7835 171 E 4.1285 8.2261 119.1398 56.7488 31.1760 174.4087 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 4 F 8.31 5.26 0.00 3.08 3.25 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 0.00 5 V 8.86 4.48 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 0.80 0.00 0.00 0.99 0.00 0.00 6 I 8.43 5.15 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.04 0.98 0.00 0.00 7 R 8.79 4.83 0.00 1.91 2.03 0.00 2.83 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 8 P 0.00 5.00 0.00 2.06 2.14 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 9 A 8.68 4.66 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 10 T 9.80 4.75 4.39 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 1.19 0.00 0.00 11 A 8.16 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.62 4.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.09 4.60 0.00 2.79 2.75 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 14 C 7.61 4.10 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 15 S 7.97 4.12 0.00 4.00 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 0.00 16 D 7.93 4.20 0.00 2.85 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.74 3.25 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 0.71 0.00 0.00 18 L 7.80 3.78 0.00 1.71 1.73 0.93 0.62 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 19 R 7.73 3.76 0.00 1.90 1.99 0.00 3.06 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 20 L 7.79 3.88 0.00 1.13 1.65 0.96 0.91 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 21 I 7.55 3.65 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.23 0.87 0.00 0.00 22 K 8.11 3.96 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.56 7.81 23 E 7.88 3.80 0.00 1.65 1.66 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 2.30 2.40 0.00 24 L 7.28 3.43 0.00 1.16 1.72 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.14 4.13 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 26 R 8.00 3.76 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 27 Y 7.86 3.81 0.00 3.10 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 28 E 7.87 4.53 0.00 2.20 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 2.63 2.52 0.00 29 Y 7.01 3.43 0.00 3.21 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 *31 E 7.95 4.38 0.00 2.01 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 2.46 0.00 32 E 8.18 4.06 0.00 2.02 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 0.00 2.35 2.30 0.00 33 Q 7.94 4.32 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 34 V 7.56 3.72 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 0.76 0.00 0.00 0.92 0.00 0.00 35 I 8.26 4.43 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 0.89 0.97 0.00 0.00 36 L 7.80 4.28 0.00 1.63 1.60 1.05 0.87 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 37 T 8.30 4.73 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 1.25 0.00 0.00 38 E 8.57 4.00 0.00 2.04 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 2.40 2.39 0.00 39 K 8.01 3.96 0.00 1.78 1.87 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 40 D 8.47 4.40 0.00 2.95 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 41 L 8.31 4.50 0.00 2.01 2.01 1.10 0.38 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 42 L 8.33 4.32 0.00 2.00 1.84 0.67 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.07 4.09 0.00 2.01 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 2.37 2.67 0.00 44 D 8.71 4.38 0.00 2.92 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 0.00 0.00 0.00 45 G 8.12 3.26 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 0.00 46 F 7.33 4.87 0.00 3.17 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 47 G 8.44 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 0.00 0.00 0.00 48 E 8.23 4.83 0.00 2.07 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 2.06 2.06 0.00 49 H 8.29 4.47 0.00 3.12 3.28 0.00 5.70 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 50 P 0.00 4.40 0.00 1.99 1.99 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 51 F 8.61 4.57 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 52 Y 6.61 4.96 0.00 3.02 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 53 H 8.63 4.92 0.00 1.40 2.78 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.61 5.33 0.00 2.91 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 55 L 9.04 5.37 0.00 1.63 1.60 0.90 1.24 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 56 V 9.11 5.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 5.41 0.00 3.33 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 75 A 8.52 5.31 1.09 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 *77 Y 8.33 4.77 0.00 3.00 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 78 Y 8.13 4.92 0.00 2.93 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 79 F 8.77 5.51 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 9.18 5.02 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 1.36 0.00 0.00 81 Y 8.54 5.17 0.00 2.93 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 82 D 8.18 4.91 0.00 2.57 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.19 2.07 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 136 S 8.02 4.03 0.00 4.02 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 0.00 137 I 8.25 3.99 2.10 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 1.63 1.03 0.99 0.00 0.00 138 N 8.35 4.44 0.00 2.94 2.90 0.00 0.00 6.60 8.24 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 0.00 139 F 8.05 4.03 0.00 2.92 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 0.00 140 Y 8.10 4.31 0.00 3.21 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 0.00 141 K 8.23 4.20 0.00 2.00 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.84 7.81 142 R 8.59 4.09 0.00 1.88 1.91 0.00 3.18 0.00 0.00 3.45 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 143 R 7.79 4.41 0.00 1.68 1.78 0.00 2.30 0.00 0.00 2.81 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.26 0.00 144 G 8.31 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 0.00 0.00 0.00 145 A 7.74 4.34 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 0.00 146 S 8.06 4.64 0.00 4.19 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.29 4.51 0.00 2.72 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 0.00 148 L 8.16 4.00 0.00 1.67 1.85 0.70 0.99 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 0.00 149 S 8.17 4.36 0.00 4.04 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 0.00 150 S 8.09 4.20 0.00 3.95 3.89 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 0.00 151 E 8.22 4.13 0.00 1.91 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 2.53 0.00 152 E 8.20 4.24 0.00 2.07 1.61 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 2.22 2.23 0.00 153 G 8.04 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 0.00 0.00 0.00 154 W 7.15 4.52 0.00 3.35 3.09 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 0.00 155 R 8.66 4.72 0.00 2.12 1.94 0.00 3.41 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 156 L 8.73 4.30 0.00 1.65 1.62 0.97 0.76 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 0.00 157 F 8.84 4.89 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 0.00 158 K 8.33 4.72 0.00 1.84 1.76 0.00 1.54 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.29 1.48 7.81 159 I 8.16 4.51 1.94 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 1.43 0.74 1.05 0.00 0.00 160 D 8.73 4.71 0.00 2.89 2.66 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 0.00 161 K 8.70 3.83 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.53 7.81 162 E 8.07 3.89 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.47 0.00 163 Y 7.48 4.23 0.00 3.06 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 0.00 164 L 7.66 4.20 0.00 1.83 1.76 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.34 4.15 0.00 1.93 1.76 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.80 3.76 0.00 2.13 1.87 0.00 1.89 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.64 7.81 *168 A 7.88 4.28 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 0.00 169 T 7.81 4.28 4.24 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 1.24 0.00 0.00 170 E 8.34 3.97 0.00 2.22 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 2.27 2.71 0.00 171 E 8.23 4.13 0.00 2.13 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 2.26 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.