NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1982 8.2549 120.8162 56.2136 31.2553 174.2377 2 Y 4.7654 8.2548 119.2879 54.6106 41.2304 173.3294 3 H 5.0973 9.6301 118.9165 54.0536 32.2323 172.8101 4 L 5.3404 8.3477 119.3327 53.2080 43.8780 175.9371 5 R 4.7438 8.5977 118.2076 54.1582 33.1973 172.6944 6 P 5.0713 0.0000 0.0000 61.4898 32.0343 174.7493 7 P 4.6872 0.0000 0.0000 62.7580 32.3732 175.4371 8 R 4.7461 9.0502 117.7687 53.9470 33.3815 177.3927 9 R 3.8916 8.6250 118.2126 59.9053 30.0381 178.4481 10 N 4.7201 8.0354 111.0808 54.2259 38.6317 175.8387 11 D 4.6587 8.4374 119.6815 55.1260 41.0080 178.3692 12 G 3.7036 7.8011 106.8571 47.9437 0.0000 175.5777 13 A 3.9541 7.9192 122.5249 54.8124 18.5014 179.4810 14 A 3.8669 7.8328 118.8009 55.1323 18.3971 179.8618 15 I 3.3305 7.7790 118.7050 64.4636 37.0387 177.9412 16 H 3.3410 8.0275 119.3460 59.0763 29.7527 177.0380 17 Q 3.8824 8.1428 122.8387 58.3862 28.6589 177.7581 18 L 3.8802 7.8478 120.6020 58.3478 42.3939 178.8774 19 V 3.6358 7.7419 118.5525 65.8914 30.8929 177.9135 20 S 4.1095 8.0498 114.0946 61.0696 62.2805 175.4112 21 E 4.5702 7.5467 118.9839 55.6699 30.6967 176.2439 22 C 4.8741 7.8122 116.6151 57.9627 28.5511 172.4135 23 P 4.6486 0.0000 0.0000 62.6655 31.8374 174.6473 24 P 4.8039 0.0000 0.0000 62.3778 31.6276 175.2796 25 L 4.0604 7.5920 118.4047 55.7821 42.0217 177.0470 26 D 4.5387 8.6919 122.4651 54.2271 41.4106 175.6860 27 L 4.4520 8.5062 125.9925 54.2418 43.0545 175.5278 28 N 5.0807 8.4813 123.4216 51.0045 40.7386 174.5780 29 S 4.4432 8.3190 113.2480 58.1443 63.9692 174.8529 30 L 3.9391 8.7491 123.1350 58.9481 41.5372 178.7246 31 Y 4.1124 8.2333 118.3398 60.6640 38.7759 177.7817 32 A 3.9074 8.0014 121.3615 55.4089 18.3672 179.2790 33 Y 3.9470 7.3615 114.3260 60.8945 37.9004 178.4251 34 L 3.9392 8.0038 120.1461 57.7999 41.6933 179.5906 35 L 3.7219 7.9135 119.2335 57.4318 41.4989 179.3327 36 L 4.1674 7.8095 118.7916 58.3658 41.4494 179.4742 37 C 4.2256 8.1593 115.2523 62.6753 28.0821 175.3800 38 E 4.1271 7.9770 119.8891 58.4329 29.4608 177.2719 39 H 4.9573 8.5072 114.1071 55.9436 30.5420 174.9010 40 H 5.0214 8.1422 116.3579 55.2182 30.4934 175.2092 41 A 4.1353 8.2422 125.8817 55.6713 18.2797 180.2909 42 H 4.4846 8.2698 111.5788 58.1230 29.5276 175.9438 43 T 4.7037 8.1937 108.6537 61.4205 69.9809 173.1714 44 C 5.3506 8.0878 119.7321 58.5068 32.4294 172.8354 45 V 4.8129 8.2867 117.6834 60.8770 34.5967 173.8414 46 V 5.0255 9.1770 115.9188 59.6613 35.5125 174.3088 47 A 5.0047 8.5007 125.0474 50.3363 20.9761 175.4200 48 E 5.3150 9.1291 124.3936 54.1730 32.9234 175.9877 49 S 4.3939 9.2356 121.3755 57.1972 64.0056 173.2359 50 P 4.2114 0.0000 0.0000 65.9693 31.0100 178.1704 51 G 3.6130 7.8978 104.2897 46.7889 0.0000 174.0452 52 G 3.9595 8.4465 108.7635 45.2023 0.0000 172.9841 53 R 4.3252 8.3362 120.9145 54.4733 31.0082 175.4734 54 I 4.5814 8.2737 126.5489 61.2057 37.3286 175.0449 55 D 4.9036 8.8520 124.6949 53.8859 42.6067 176.1454 56 G 4.4264 7.6456 105.4772 44.8784 0.0000 171.7195 57 F 5.5882 9.1538 123.8347 56.6482 43.6748 173.0290 58 V 4.5447 8.2808 125.0774 60.8382 34.6051 174.0229 59 S 4.8979 8.1569 122.3138 56.8323 64.9896 172.9939 60 A 5.2218 8.1749 123.4453 51.5864 22.5836 174.6790 61 Y 5.1254 8.1934 115.6798 56.3500 41.6717 174.2697 62 L 4.7509 8.7277 121.0992 54.7442 42.8751 176.8845 63 L 4.4020 8.7492 123.2151 53.8593 42.2514 176.6254 64 P 4.3248 0.0000 0.0000 65.4573 31.4199 177.4007 65 T 4.3615 7.7943 105.6744 62.3668 69.9312 175.2194 66 R 4.6368 7.5697 121.3086 53.6851 30.5267 173.8265 67 P 4.4806 0.0000 0.0000 64.6756 32.1779 177.6018 68 D 4.7690 8.1203 118.4248 53.7086 40.9429 175.3978 69 V 4.8052 8.1703 121.1178 61.3896 33.8845 173.8991 70 L 5.0159 8.8249 130.4221 53.6543 43.9933 174.4982 71 F 4.9374 9.0523 129.5917 56.5998 41.2572 174.2767 72 V 4.2663 7.4947 127.0482 61.6833 31.7849 174.7469 73 W 4.8439 9.4467 135.0000 59.2490 31.0371 175.8828 74 Q 4.7463 8.6461 118.0736 53.9039 32.5491 174.1910 75 V 4.6355 8.6232 122.2176 61.2864 33.6307 174.1613 76 A 4.7507 9.0157 131.2351 50.1251 21.2736 175.2956 77 V 4.5356 8.1912 122.1336 60.9293 34.0515 174.7350 78 H 4.2309 9.2290 129.3970 56.1151 30.1275 176.3365 79 S 4.1022 8.6645 118.8270 61.3926 62.7517 176.2949 80 R 4.1075 8.3669 114.8980 57.4257 29.5920 176.5712 81 A 4.7912 7.8678 120.8133 51.7893 19.4123 176.8364 82 R 3.9275 7.4275 116.2145 58.6175 30.4992 177.2416 83 G 3.9061 9.0193 108.7048 46.1566 0.0000 173.5343 84 H 4.7089 7.9948 113.4883 54.3272 30.1597 173.7056 85 R 3.7525 7.9655 118.9394 56.9329 28.5030 177.9627 86 L 3.9538 8.1625 117.2969 57.6171 42.1840 179.3727 87 G 3.6865 8.1237 106.6937 48.5414 0.0000 174.7078 88 R 3.7907 8.0051 117.0882 58.7031 29.5587 178.9316 89 A 3.9966 7.9304 117.7561 52.9475 18.2409 178.8091 *91 L 4.1761 8.1288 120.1653 56.0709 43.8266 179.4023 92 G 3.6643 8.0752 105.1319 48.1720 0.0000 174.8665 93 H 4.0499 8.1993 119.7397 59.1490 30.2674 177.0639 94 I 3.8908 7.6975 120.8781 64.4493 36.8343 178.3149 95 L 4.0156 7.8070 118.5782 57.6691 41.4478 179.0775 96 E 4.0563 7.9784 117.3695 57.6320 29.9296 177.7637 97 R 4.1295 7.2636 118.5653 55.6100 30.8579 177.6918 98 Q 3.9886 8.6562 118.6979 59.3010 28.7460 178.7197 99 E 3.9728 8.2339 117.0612 58.7805 29.8431 177.2237 100 C 4.7165 8.1238 115.3667 59.2953 28.3840 175.6894 101 R 3.9881 7.6871 118.1243 58.6015 28.9910 177.0261 102 H 4.8541 7.9190 113.8359 55.3254 29.4221 174.9300 103 V 3.9589 7.8232 121.0278 63.0802 31.8827 175.3839 104 R 4.6479 9.2693 126.3332 56.7903 32.7507 174.8408 105 H 4.8919 7.9663 114.1916 53.7691 33.8046 171.8462 106 L 5.2350 8.8098 122.9166 53.4073 44.9694 175.0440 107 E 5.0725 8.9165 125.0507 55.2010 33.5532 174.7370 108 T 3.9833 7.9097 116.0311 61.5558 71.5258 171.6740 109 T 4.8973 8.1367 112.8535 59.8538 71.6608 173.7642 110 V 4.5567 8.0736 114.5683 59.5916 36.3010 175.8381 111 G 4.2242 8.7119 113.1305 43.8319 0.0000 172.6376 112 P 4.2317 0.0000 0.0000 65.6997 30.7906 177.0460 113 D 4.7435 7.9180 114.7071 53.9151 41.9873 177.0693 114 N 4.7709 7.6801 119.9934 52.4638 37.2115 175.8237 115 Q 4.0257 7.9791 120.9356 58.8137 29.4177 178.1092 116 A 4.0293 7.9793 121.3690 55.3210 18.5425 179.7293 117 S 4.1626 8.0535 113.1905 61.7968 62.9938 176.8726 118 R 4.1033 7.9987 120.3521 59.4371 29.7126 179.3761 119 R 4.0476 8.0514 117.9137 59.2446 30.0197 178.9650 120 T 3.7338 7.8420 115.6655 66.9144 68.5135 176.5890 121 F 4.1275 8.0278 118.6326 60.3433 38.9172 177.5509 122 A 4.1626 8.7157 121.1155 55.2222 18.2665 179.9573 123 G 3.5268 8.4781 104.5602 47.7307 0.0000 175.5401 124 L 3.9163 7.8871 122.6664 57.8671 41.9899 178.9967 125 A 4.3616 8.2640 120.6792 55.2351 18.2498 179.7468 126 G 3.6366 8.1638 104.2333 48.0364 0.0000 175.0844 127 E 4.3923 7.9063 117.2134 57.1520 29.5176 177.4869 128 R 4.5219 6.9751 114.5343 54.7756 31.4844 175.4166 129 G 3.9684 7.8944 105.2124 46.6303 0.0000 173.5867 130 A 4.8253 8.0487 119.6642 50.0927 21.6882 177.1983 131 H 4.6751 8.5093 119.1753 55.6037 31.7343 174.1665 132 V 4.9561 8.0527 122.9114 61.0235 33.7130 174.6942 133 S 4.8050 8.9614 121.6787 56.4655 66.7145 172.4352 134 E 5.0574 8.5637 120.9513 54.7751 32.2251 174.5385 135 Q 4.7726 8.7529 124.9264 52.9997 32.8506 173.4688 136 P 4.3839 0.0000 0.0000 63.6631 31.0280 174.2590 137 F 4.9431 7.9063 119.9184 57.6352 44.8933 173.3994 138 F 4.8470 8.8042 117.1160 55.9622 40.6963 175.1787 139 D 5.8500 8.1529 125.1473 50.2915 42.5369 176.0559 140 R 4.0658 8.8569 116.5198 60.0220 29.7179 178.5823 141 Q 3.9284 8.2021 118.3592 59.3091 28.9073 178.2050 142 A 3.8036 7.9306 120.2687 54.5158 18.6615 178.6564 143 F 4.5284 8.1486 114.0388 56.6356 39.0413 176.4371 144 G 3.6521 8.5128 106.6643 46.6553 0.0000 174.9745 145 G 3.8476 8.3340 105.2745 45.1982 0.0000 174.6588 146 A 4.2570 7.5765 122.0195 51.5712 19.0468 178.7647 147 D 4.6261 8.2075 120.1280 53.3785 39.4443 174.1882 148 H 4.6201 7.5761 120.1347 53.4333 33.2828 172.8317 149 D 4.5188 8.2526 125.6962 54.1475 41.3436 175.9367 150 D 4.9722 8.6085 120.7749 55.2349 42.3425 175.2909 151 E 5.2095 9.3502 120.0487 53.3964 34.4269 174.3644 *153 L 3.9213 8.1778 120.7626 55.0441 43.4984 174.8512 154 L 4.9923 8.6223 129.0933 53.2998 44.2532 174.8968 155 R 4.9755 8.8684 126.3338 54.5714 33.2320 173.7608 156 I 4.8425 9.9033 127.1963 59.4664 40.7989 175.7954 157 G 3.7287 7.9542 112.1030 42.0849 0.0000 170.8381 158 P 4.2374 0.0000 0.0000 62.4875 31.9122 176.4720 159 F 4.6469 8.2069 118.4463 58.0046 38.8805 175.7884 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 R 8.25 4.20 0.00 1.73 1.84 0.00 3.33 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 2 Y 8.25 4.77 0.00 2.95 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 3 H 9.63 5.10 0.00 3.26 3.43 0.00 5.41 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.35 5.34 0.00 1.31 1.29 0.88 0.84 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 5 R 8.60 4.74 0.00 1.90 2.02 0.00 2.82 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 6 P 0.00 5.07 0.00 1.99 2.27 0.00 3.78 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 7 P 0.00 4.69 0.00 2.25 2.20 0.00 3.98 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 2.09 2.22 0.00 8 R 9.05 4.75 0.00 1.81 1.84 0.00 3.15 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 9 R 8.62 3.89 0.00 1.83 2.00 0.00 3.27 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 10 N 8.04 4.72 0.00 2.71 2.85 0.00 0.00 6.90 8.06 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 11 D 8.44 4.66 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 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 0.00 0.00 0.00 13 A 7.92 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.83 3.87 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 15 I 7.78 3.33 1.38 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 -0.58 0.00 0.00 16 H 8.03 3.34 0.00 3.10 3.39 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 17 Q 8.14 3.88 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 18 L 7.85 3.88 0.00 1.57 1.75 0.97 0.94 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 19 V 7.74 3.64 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.64 0.00 0.00 20 S 8.05 4.11 0.00 4.02 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 21 E 7.55 4.57 0.00 2.00 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 2.42 0.00 22 C 7.81 4.87 0.00 3.03 2.81 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 23 P 0.00 4.65 0.00 2.16 2.05 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 24 P 0.00 4.80 0.00 2.17 2.14 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 25 L 7.59 4.06 0.00 1.81 1.73 1.01 1.15 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 26 D 8.69 4.54 0.00 2.90 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 27 L 8.51 4.45 0.00 1.62 1.63 0.80 0.98 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 28 N 8.48 5.08 0.00 2.43 2.75 0.00 0.00 7.04 7.72 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 29 S 8.32 4.44 0.00 4.09 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 30 L 8.75 3.94 0.00 1.58 1.73 0.92 0.75 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 31 Y 8.23 4.11 0.00 3.02 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 32 A 8.00 3.91 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 33 Y 7.36 3.95 0.00 3.16 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 34 L 8.00 3.94 0.00 1.63 1.62 1.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.91 3.72 0.00 1.64 1.61 0.78 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.81 4.17 0.00 2.06 2.01 0.87 1.18 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 37 C 8.16 4.23 0.00 3.08 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 38 E 7.98 4.13 0.00 1.91 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 39 H 8.51 4.96 0.00 3.07 3.11 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.14 5.02 0.00 3.46 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.24 4.14 1.36 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 42 H 8.27 4.48 0.00 3.20 3.51 0.00 5.85 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.19 4.70 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 1.33 0.00 0.00 44 C 8.09 5.35 0.00 3.04 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 45 V 8.29 4.81 2.10 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 0.56 0.00 0.00 0.84 0.00 0.00 46 V 9.18 5.03 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 0.84 0.00 0.00 1.03 0.00 0.00 47 A 8.50 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.13 5.32 0.00 1.97 1.53 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 2.19 2.15 0.00 49 S 9.24 4.39 0.00 3.87 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 50 P 0.00 4.21 0.00 2.02 2.16 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 51 G 7.90 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 52 G 8.45 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 53 R 8.34 4.33 0.00 1.83 1.82 0.00 3.05 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 54 I 8.27 4.58 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.91 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0.00 2.76 2.82 0.00 0.00 6.98 7.18 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 0.00 115 Q 7.98 4.03 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 116 A 7.98 4.03 1.32 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 0.00 117 S 8.05 4.16 0.00 4.11 4.10 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 0.00 118 R 8.00 4.10 0.00 2.10 2.02 0.00 3.29 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 119 R 8.05 4.05 0.00 2.03 1.97 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 120 T 7.84 3.73 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 0.79 0.00 0.00 121 F 8.03 4.13 0.00 3.08 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 0.00 122 A 8.72 4.16 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 0.00 123 G 8.48 3.53 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 0.00 0.00 0.00 124 L 7.89 3.92 0.00 2.01 1.82 0.82 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.26 4.36 1.54 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 0.00 0.00 126 G 8.16 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 7.91 4.39 0.00 1.95 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 2.42 2.46 0.00 128 R 6.98 4.52 0.00 1.92 2.01 0.00 3.11 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.40 0.00 129 G 7.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.05 4.83 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 0.00 131 H 8.51 4.68 0.00 3.21 3.42 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.05 4.96 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 0.86 0.00 0.00 0.95 0.00 0.00 133 S 8.96 4.81 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.56 5.06 0.00 1.88 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 2.15 2.26 0.00 135 Q 8.75 4.77 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 136 P 0.00 4.38 0.00 2.23 2.13 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 137 F 7.91 4.94 0.00 2.85 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.80 4.85 0.00 3.14 2.36 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 0.00 139 D 8.15 5.85 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.86 4.07 0.00 1.93 2.09 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 141 Q 8.20 3.93 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 142 A 7.93 3.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.15 4.53 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.33 3.85 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 0.00 146 A 7.58 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.21 4.63 0.00 2.64 2.59 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 0.00 148 H 7.58 4.62 0.00 2.73 2.01 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.25 4.52 0.00 2.66 2.61 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 0.00 150 D 8.61 4.97 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 0.00 151 E 9.35 5.21 0.00 2.27 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 0.00 2.65 2.83 0.00 *153 L 8.18 3.92 0.00 0.48 1.17 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.62 4.99 0.00 1.53 1.29 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.87 4.98 0.00 1.69 1.58 0.00 2.98 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 156 I 9.90 4.84 1.94 0.00 0.00 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 1.24 0.67 1.12 0.00 0.00 157 G 7.95 3.73 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 0.00 158 P 0.00 4.24 0.00 2.10 1.92 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 159 F 8.21 4.65 0.00 3.05 2.86 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 * Residues marked with a * may have inaccurate shift predictions.