NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2743 8.3149 121.7947 56.1706 32.6935 175.0622 7 L 4.4763 8.3434 126.6437 52.0551 43.0238 174.5973 8 H 5.0124 9.2515 117.6922 53.5279 31.8079 173.1797 9 K 4.5230 8.5573 122.3295 56.1962 32.9717 176.0417 10 E 5.0345 9.4954 124.1178 53.6198 32.9779 174.0003 11 P 4.8136 0.0000 0.0000 63.4084 32.3159 175.1410 12 A 4.8230 8.2408 120.4416 51.6273 22.8176 175.7576 13 T 4.6363 8.4261 116.2284 61.2211 71.9495 173.6289 14 L 4.2594 8.6023 128.0302 55.8881 42.1968 175.8109 15 I 4.2903 8.4317 126.7109 62.3503 38.6536 175.9420 16 K 4.4421 8.0729 119.9341 55.4744 36.1092 173.9269 17 A 4.5441 8.7507 130.3607 51.9652 19.3763 176.2165 18 I 4.2767 8.2571 123.1014 62.2360 39.0466 175.7573 19 D 4.6174 8.0181 117.9700 52.5712 41.5533 174.3749 20 G 3.9937 9.3546 106.3285 48.2582 0.0000 173.7870 21 D 5.0471 8.3155 116.3440 52.7214 41.5573 175.1855 22 T 5.1936 8.3530 115.5567 62.4146 72.5381 173.4010 23 V 4.8369 8.7193 118.0530 59.6500 36.9101 173.9340 24 K 4.9764 9.3269 125.9236 55.2993 33.5145 175.3345 25 L 5.3067 9.5427 126.9161 53.1701 46.5683 175.1651 26 M 4.9397 9.1855 121.4521 54.5176 33.8870 174.0344 27 Y 5.0644 8.8189 127.9039 56.1739 41.8947 175.6437 28 K 3.6564 9.5453 125.8835 57.4338 29.7970 176.2006 29 G 3.9732 8.5608 104.4601 45.4346 0.0000 173.8111 30 Q 4.7666 7.8243 118.7430 52.9673 32.1559 173.4068 31 P 4.9176 0.0000 0.0000 63.2140 32.2789 175.5261 32 M 4.7866 9.3397 123.2053 54.7090 36.4476 173.3017 33 T 4.9005 8.5278 122.3548 62.7692 70.5311 173.4668 34 F 5.0787 9.6169 125.5117 55.6413 41.9130 174.5059 35 R 4.9862 9.1658 123.7858 54.2067 32.2803 175.0118 36 L 4.3424 8.6510 127.4860 54.6223 42.2199 177.2616 37 L 3.9417 8.6249 124.3953 55.5791 42.7650 177.7254 38 L 4.4920 8.8298 119.4216 54.7644 39.5835 173.8512 39 V 5.1637 7.2568 109.4455 59.8707 35.8922 175.1436 40 D 4.7479 8.7290 121.0862 54.1176 43.2173 174.2464 41 T 4.8305 8.9389 117.2934 59.5340 71.3179 172.9846 42 P 4.3940 0.0000 0.0000 62.2731 32.3457 176.5844 43 E 4.0918 9.0957 121.1733 56.5511 30.0527 177.8587 *50 F 4.5932 8.3887 122.3591 58.4103 41.1424 176.1418 51 N 4.4673 8.2199 116.7602 55.7076 38.8702 175.1885 52 E 4.3029 8.0141 117.7574 54.8648 30.5794 175.9720 53 K 3.9308 8.1352 119.6308 58.0754 32.5167 177.6217 54 Y 4.2851 7.7658 118.4720 59.0160 36.1742 171.4469 55 G 3.5994 7.8200 107.4358 47.6079 0.0000 174.2663 56 P 4.2447 0.0000 0.0000 64.9075 31.3448 178.6667 57 E 4.0206 8.0978 116.9114 59.2398 29.5037 179.0407 58 A 4.0281 8.2406 120.8757 55.3683 18.4132 179.8974 59 S 4.2532 8.3459 113.4963 61.6801 62.8990 176.8373 60 A 4.0404 8.5398 123.9061 55.0036 18.1704 179.3264 61 F 4.0064 8.7109 119.5641 61.8656 39.4970 177.4703 62 T 3.9227 8.2315 115.1699 66.4549 68.2315 176.2857 63 K 3.8302 8.2825 121.7223 59.5416 32.2637 178.4431 64 K 3.8099 8.0855 119.5284 59.7577 31.9047 178.1683 65 M 3.8254 7.5547 116.8401 58.8645 32.2534 178.1932 66 V 3.8512 7.9106 112.1417 63.9375 31.6857 178.4714 67 E 3.9570 8.3042 117.6314 58.7954 29.4254 177.3733 68 N 4.6682 7.8671 113.4787 52.8202 39.0371 174.9370 69 A 4.5596 7.2897 122.2000 51.6118 19.4720 178.0508 70 K 4.2415 9.2207 120.8469 57.7829 32.9861 177.6602 71 K 4.6407 8.5978 119.8549 54.5793 35.9591 175.1344 72 I 5.0293 8.4711 127.2528 59.6182 40.1981 174.2562 73 E 5.2102 9.2481 125.9455 54.6066 33.3741 175.3893 74 V 4.7571 8.9498 115.4892 59.6251 35.4271 174.8450 75 E 4.7912 8.7368 123.7328 54.6618 32.3522 174.6774 76 F 4.6021 8.9554 125.9316 57.5471 40.1822 175.5966 77 D 5.0070 8.4523 121.0228 53.0672 43.4968 175.8127 78 K 4.2806 9.1887 118.2364 59.5475 32.9733 178.9991 79 G 4.1184 7.9198 114.3315 44.7970 0.0000 173.7153 80 Q 4.0403 8.6801 123.3521 56.6965 29.3422 176.4391 81 R 4.6506 8.5087 119.4428 56.9037 32.1880 176.0570 82 T 5.1509 7.7882 114.1767 61.6608 72.3477 173.3972 83 D 4.7967 8.5140 124.8558 51.3422 42.0205 177.2266 84 K 3.7012 8.3855 116.7888 59.6935 32.3166 177.0995 85 Y 4.4488 7.7401 115.2224 57.5467 37.9151 176.1234 86 G 3.8919 8.1376 107.8375 45.6891 0.0000 174.0818 87 R 4.3258 8.3372 119.4925 55.1184 31.6927 176.3895 88 G 3.4805 8.5436 110.7670 46.0172 0.0000 172.4314 89 L 5.1647 9.1336 123.6601 52.2438 43.4282 175.6434 90 A 4.3251 8.1415 124.0762 51.2337 23.3362 173.7379 91 Y 4.7400 8.5555 117.2021 56.9659 39.6371 174.8829 92 E 5.0303 9.2147 125.7666 54.6280 32.4036 173.9587 93 Y 5.1666 9.2123 123.7732 56.2480 41.1681 174.5474 94 A 4.8452 9.2979 127.1860 49.9962 19.7430 175.9378 95 D 4.2181 9.6703 125.5362 56.1977 38.6220 176.1708 96 G 3.9860 8.3239 107.1888 45.3459 0.0000 173.3290 97 K 4.2548 7.5981 121.9394 55.4871 33.0587 175.2660 98 M 4.1242 8.5799 125.9637 54.9855 33.0333 176.8094 99 V 3.6543 8.6735 127.6205 66.0160 31.6196 177.5507 100 N 4.3083 8.0261 115.7846 56.4201 38.5086 176.7280 101 E 3.8944 8.1018 119.6549 59.1873 29.9391 178.2600 102 A 4.0685 8.0132 120.8125 55.4066 18.4746 179.5371 103 L 3.5287 8.0332 117.2618 57.9308 41.8101 180.0651 104 V 3.8088 7.5481 117.9240 65.9712 31.2492 178.0996 105 R 4.1113 8.3444 118.0397 59.0949 30.0127 177.5872 106 Q 4.3052 7.7322 115.0178 55.0938 29.1484 176.0737 107 G 3.9484 7.7870 108.2613 46.7257 0.0000 174.8424 108 L 4.4646 7.6513 117.3039 54.1751 42.3599 176.3944 109 A 4.8003 7.5765 119.3537 50.3378 22.4914 175.3815 110 K 4.7676 8.6360 121.0810 54.2944 35.2988 175.6080 111 V 4.3117 8.8819 126.5756 63.2043 32.2406 174.9103 112 A 4.3452 9.3763 128.1626 50.8144 23.3419 174.8892 113 Y 3.2660 7.6378 113.9892 59.0796 35.2962 173.3541 114 V 3.9804 7.3924 118.3635 62.3691 31.5438 174.1905 115 Y 4.7560 8.2513 124.9014 55.5014 40.2317 175.8155 116 K 4.1311 8.6030 121.9785 58.2977 32.6849 177.6683 117 G 4.1228 9.4336 112.3342 45.3190 0.0000 173.0692 118 N 5.5348 7.7620 116.5999 53.1019 39.4501 173.8582 119 N 5.2928 7.9585 110.8081 52.7868 38.3378 176.8946 120 T 3.8412 8.6360 117.7633 68.1516 68.9905 175.4041 121 H 4.7968 8.0543 116.4332 55.7933 29.0330 176.5170 122 E 3.9672 8.1964 122.5877 59.8099 29.3536 178.9344 123 Q 3.9800 8.1252 117.2668 58.8995 28.9082 178.5683 124 L 3.9456 7.9083 120.6313 58.3436 42.1686 178.9737 125 L 4.0505 7.8955 118.6469 57.8255 41.5378 179.6737 126 R 3.9195 8.3366 118.3923 58.9105 29.7983 179.0127 127 K 3.8565 8.1702 119.2104 59.5687 32.3917 178.7647 128 A 3.9879 7.8636 120.7324 54.9696 18.1871 179.2927 129 E 3.8228 8.3642 117.6783 59.4752 29.8736 178.8427 130 A 3.8301 7.9557 120.7264 55.1335 18.2763 179.7808 131 Q 3.8158 7.8262 116.2896 59.1289 28.8876 178.6461 132 A 4.0203 7.7946 121.5180 54.9151 17.8734 179.6105 133 K 3.1826 7.9914 118.6604 59.3330 31.9142 179.2489 134 K 4.0513 7.6196 117.5670 58.7885 32.1242 178.3418 135 E 4.2149 8.0316 116.4263 55.4602 30.1338 176.2372 136 K 3.9483 7.4672 116.5442 57.2334 30.4657 175.6279 137 L 4.2307 8.2274 118.4764 55.6499 44.1609 178.8851 138 N 3.5660 9.4667 118.7361 54.2526 38.3321 176.1533 139 I 3.0812 4.0000 127.0903 64.3051 37.9153 176.9429 140 W 4.7580 7.5585 117.8054 56.5873 29.1192 176.5469 141 S 4.3633 7.9850 120.9504 58.9036 62.1661 174.0021 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 6 K 8.31 4.27 0.00 1.73 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.57 7.81 7 L 8.34 4.48 0.00 1.94 1.67 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.25 5.01 0.00 3.27 3.27 0.00 5.52 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 9 K 8.56 4.52 0.00 1.57 1.67 0.00 1.33 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.08 1.26 7.81 10 E 9.50 5.03 0.00 2.12 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 2.41 2.38 0.00 11 P 0.00 4.81 0.00 2.11 2.08 0.00 3.91 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 2.04 2.01 0.00 12 A 8.24 4.82 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 13 T 8.43 4.64 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 14 L 8.60 4.26 0.00 1.63 1.58 0.90 1.07 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 15 I 8.43 4.29 2.00 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 1.27 0.84 0.94 0.00 0.00 16 K 8.07 4.44 0.00 1.79 1.59 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.34 7.81 17 A 8.75 4.54 1.25 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 0.00 0.00 18 I 8.26 4.28 1.98 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 1.47 0.68 0.89 0.00 0.00 19 D 8.02 4.62 0.00 2.80 2.67 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 20 G 9.35 3.99 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 0.00 0.00 0.00 21 D 8.32 5.05 0.00 2.78 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 22 T 8.35 5.19 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 1.22 0.00 0.00 23 V 8.72 4.84 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 0.68 0.00 0.00 0.99 0.00 0.00 24 K 9.33 4.98 0.00 1.81 1.72 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 L 9.54 5.31 0.00 1.62 1.49 0.33 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.19 4.94 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 27 Y 8.82 5.06 0.00 3.30 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 28 K 9.55 3.66 0.00 1.45 1.62 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.99 0.21 7.81 29 G 8.56 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 30 Q 7.82 4.77 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 31 P 0.00 4.92 0.00 1.97 2.03 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 32 M 9.34 4.79 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.18 0.00 33 T 8.53 4.90 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 1.22 0.00 0.00 34 F 9.62 5.08 0.00 3.02 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 35 R 9.17 4.99 0.00 1.85 1.72 0.00 3.31 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 36 L 8.65 4.34 0.00 1.66 1.60 0.98 1.13 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 37 L 8.62 3.94 0.00 0.90 1.21 0.23 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.83 4.49 0.00 2.01 1.86 1.17 1.23 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 39 V 7.26 5.16 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 0.74 0.00 0.00 1.02 0.00 0.00 40 D 8.73 4.75 0.00 2.94 2.56 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 0.00 0.00 0.00 0.00 41 T 8.94 4.83 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 1.29 0.00 0.00 42 P 0.00 4.39 0.00 2.08 2.02 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 43 E 9.10 4.09 0.00 2.34 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 2.35 2.33 0.00 *50 F 8.39 4.59 0.00 2.99 3.15 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 51 N 8.22 4.47 0.00 2.78 2.87 0.00 0.00 6.95 7.66 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 52 E 8.01 4.30 0.00 2.13 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 2.31 2.28 0.00 53 K 8.14 3.93 0.00 1.69 1.46 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.35 7.81 54 Y 7.77 4.29 0.00 3.12 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 55 G 7.82 3.60 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 0.00 0.00 0.00 56 P 0.00 4.24 0.00 1.97 1.80 0.00 3.35 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.89 0.00 57 E 8.10 4.02 0.00 2.34 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 2.50 2.48 0.00 58 A 8.24 4.03 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 59 S 8.35 4.25 0.00 4.26 4.07 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 60 A 8.54 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.71 4.01 0.00 3.28 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 62 T 8.23 3.92 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 1.25 0.00 0.00 63 K 8.28 3.83 0.00 2.04 1.98 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.47 7.81 64 K 8.09 3.81 0.00 1.91 1.78 0.00 1.64 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 65 M 7.55 3.83 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 66 V 7.91 3.85 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 0.79 0.00 0.00 1.00 0.00 0.00 67 E 8.30 3.96 0.00 2.02 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 2.34 2.37 0.00 68 N 7.87 4.67 0.00 2.75 2.81 0.00 0.00 6.97 7.26 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 69 A 7.29 4.56 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 70 K 9.22 4.24 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.51 7.81 71 K 8.60 4.64 0.00 1.78 1.69 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.40 7.81 72 I 8.47 5.03 2.02 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 1.34 1.02 0.86 0.00 0.00 73 E 9.25 5.21 0.00 1.92 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 2.21 2.25 0.00 74 V 8.95 4.76 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.75 0.00 0.00 75 E 8.74 4.79 0.00 2.26 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 0.00 2.45 2.55 0.00 76 F 8.96 4.60 0.00 2.99 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 77 D 8.45 5.01 0.00 2.74 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 78 K 9.19 4.28 0.00 1.98 1.89 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 G 7.92 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.68 4.04 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 81 R 8.51 4.65 0.00 1.63 1.76 0.00 2.73 0.00 0.00 2.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 82 T 7.79 5.15 4.17 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 1.14 0.00 0.00 83 D 8.51 4.80 0.00 2.60 2.71 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 84 K 8.39 3.70 0.00 1.50 1.69 0.00 0.91 0.00 0.00 1.27 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.72 0.21 7.81 85 Y 7.74 4.45 0.00 3.09 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 86 G 8.14 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 0.00 0.00 0.00 87 R 8.34 4.33 0.00 2.02 1.77 0.00 3.11 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.54 3.48 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 0.00 0.00 0.00 89 L 9.13 5.16 0.00 1.48 1.55 0.83 0.78 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 90 A 8.14 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.56 4.74 0.00 2.97 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 92 E 9.21 5.03 0.00 1.89 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 0.00 2.14 2.10 0.00 93 Y 9.21 5.17 0.00 2.80 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 94 A 9.30 4.85 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 95 D 9.67 4.22 0.00 2.91 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 96 G 8.32 3.99 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 0.00 0.00 0.00 97 K 7.60 4.25 0.00 1.84 1.91 0.00 1.56 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.45 7.81 98 M 8.58 4.12 0.00 1.96 1.68 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.34 0.00 99 V 8.67 3.65 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 1.04 0.00 0.00 0.95 0.00 0.00 100 N 8.03 4.31 0.00 2.90 2.93 0.00 0.00 6.78 7.66 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 0.00 101 E 8.10 3.89 0.00 2.00 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 2.38 2.37 0.00 102 A 8.01 4.07 1.63 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 0.00 0.00 103 L 8.03 3.53 0.00 1.91 1.67 1.02 0.62 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 0.00 104 V 7.55 3.81 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 1.07 0.00 0.00 1.03 0.00 0.00 105 R 8.34 4.11 0.00 1.87 2.10 0.00 3.48 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.73 4.31 0.00 1.64 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.34 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 107 G 7.79 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 0.00 108 L 7.65 4.46 0.00 1.33 1.52 0.53 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.58 4.80 1.12 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 0.00 0.00 0.00 0.00 0.00 110 K 8.64 4.77 0.00 1.78 1.65 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.51 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.45 1.71 7.81 111 V 8.88 4.31 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 0.81 0.00 0.00 0.98 0.00 0.00 112 A 9.38 4.35 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 0.00 113 Y 7.64 3.27 0.00 3.22 3.30 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 0.00 114 V 7.39 3.98 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 0.89 0.00 0.00 0.94 0.00 0.00 115 Y 8.25 4.76 0.00 3.12 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 0.00 116 K 8.60 4.13 0.00 1.82 1.82 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.50 7.81 117 G 9.43 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 118 N 7.76 5.53 0.00 2.73 2.85 0.00 0.00 6.72 9.19 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 0.00 119 N 7.96 5.29 0.00 2.88 3.04 0.00 0.00 6.11 7.22 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 0.00 120 T 8.64 3.84 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 1.09 0.00 0.00 121 H 8.05 4.80 0.00 2.89 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.20 3.97 0.00 2.11 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 0.00 2.34 2.41 0.00 123 Q 8.13 3.98 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 124 L 7.91 3.95 0.00 1.75 1.87 0.91 0.56 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 0.00 125 L 7.90 4.05 0.00 1.93 1.74 1.06 0.95 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 0.00 126 R 8.34 3.92 0.00 1.98 1.96 0.00 3.27 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 127 K 8.17 3.86 0.00 1.96 2.08 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 A 7.86 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 0.00 129 E 8.36 3.82 0.00 2.16 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 2.02 2.46 0.00 130 A 7.96 3.83 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 0.00 131 Q 7.83 3.82 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 132 A 7.79 4.02 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 0.00 0.00 0.00 0.00 0.00 133 K 7.99 3.18 0.00 0.97 1.49 0.00 1.18 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 0.33 7.81 134 K 7.62 4.05 0.00 1.73 1.79 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.71 7.81 135 E 8.03 4.21 0.00 1.96 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 2.31 2.52 0.00 136 K 7.47 3.95 0.00 1.96 1.93 0.00 1.92 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 137 L 8.23 4.23 0.00 1.80 1.74 1.00 0.65 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 0.00 138 N 9.47 3.57 0.00 2.57 1.49 0.00 0.00 7.14 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 0.00 139 I 4.00 3.08 1.07 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.15 -0.11 0.00 0.00 140 W 7.56 4.76 0.00 3.23 3.15 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 0.00 141 S 7.98 4.36 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.