NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7028 8.2833 119.2051 53.6297 41.3118 176.6028 3 D 4.1959 8.0997 118.1719 56.8792 41.0097 177.0541 4 K 3.9792 8.8913 119.6470 59.3099 32.3701 179.1925 5 K 3.9756 7.9365 118.3619 59.5190 32.0618 179.2969 6 I 3.7357 7.4491 119.8363 64.3269 37.1316 178.1276 7 E 3.9516 8.5595 120.6162 59.1238 29.4034 178.7198 8 L 4.0162 8.1405 120.3893 58.2749 42.2623 178.9383 9 L 4.1246 8.4205 119.2917 57.9642 41.2242 179.8150 10 T 3.9833 8.1340 115.6055 66.8381 68.7371 176.8453 11 T 4.0952 7.8720 117.1605 66.7187 68.5784 175.9964 12 Y 4.0561 8.4585 121.8611 61.0914 38.9291 178.5177 13 L 4.3647 8.3372 119.1524 57.5350 41.4653 179.4313 14 S 4.4313 7.9386 114.2785 60.7470 62.9363 175.7481 15 L 4.1926 8.1197 121.2697 55.4949 41.3128 175.7425 16 Y 5.7272 7.2092 115.6290 55.4520 41.2004 174.9224 17 I 4.4889 8.0647 119.6752 58.8310 41.7881 173.8439 18 D 4.7804 8.6312 128.5567 54.6076 41.8417 176.9166 19 H 4.4483 9.0605 121.3936 58.9777 28.5640 177.5741 20 H 4.1390 8.0343 118.9548 59.0785 28.1411 177.7881 21 T 3.9536 7.7676 117.6641 66.2992 67.9591 176.9510 22 V 3.5914 7.5316 119.3143 65.5683 31.7706 177.3837 23 L 4.2938 8.0209 119.3093 57.9830 42.2309 178.4769 24 A 4.2406 8.3420 121.0711 54.8283 18.1036 179.0446 25 D 4.7197 7.7214 115.0470 54.6323 40.9131 177.9933 *27 Q 4.2742 7.9396 117.1728 55.7088 30.7519 176.6336 28 N 4.3652 8.2693 113.4866 53.9683 38.6672 175.4605 29 A 3.8334 7.9388 120.8116 53.1051 17.1205 178.4907 30 T 4.0492 7.8238 106.6044 64.3849 69.3601 174.5720 31 G 4.0832 7.1101 106.5924 46.6683 0.0000 173.4599 32 K 4.4821 9.0321 118.3662 56.6012 35.0001 176.4538 33 Y 5.2118 8.1171 118.0635 56.3792 41.1913 174.9154 34 V 4.2581 8.4616 123.8823 60.9828 34.3782 174.2973 35 V 4.5850 8.3862 128.1168 61.9500 33.0794 174.1716 36 L 4.9623 8.8062 129.2222 53.1670 43.6201 175.4662 37 D 3.3700 8.5086 125.1937 52.9412 41.1578 175.6058 38 V 4.2516 7.4992 119.4855 60.8669 32.8824 176.0808 39 R 4.4000 7.4077 117.5732 55.3151 30.2701 176.0153 40 N 4.5483 8.6705 118.7207 53.2237 38.4588 174.6245 41 A 4.6669 7.9626 128.3149 50.9268 21.4216 174.2007 42 P 4.4029 0.0000 0.0000 62.3267 32.1866 177.3375 43 A 4.0068 8.7236 122.0231 55.4485 17.8390 180.1883 44 Q 3.9403 8.0256 115.2192 59.2444 28.8307 178.2397 45 V 3.9330 7.7867 119.3284 65.1728 31.9440 178.0496 46 K 4.2371 8.1387 118.0566 59.0992 32.2315 178.8481 47 K 3.3659 8.3598 114.0543 57.9922 33.2770 173.7296 48 D 5.2568 8.1270 118.1792 52.3866 44.3415 175.2021 49 Q 4.6253 7.8323 116.2179 55.4979 33.4069 173.0473 50 I 3.9882 7.7775 126.9825 60.7441 38.4365 175.0476 51 K 3.8921 8.3592 127.3996 58.7744 31.8698 176.7959 52 G 3.9070 8.5529 114.4709 45.0271 0.0000 172.7618 53 A 4.4264 8.1474 121.3965 52.0042 19.6207 177.1903 54 I 4.4611 8.7116 120.4908 59.2503 39.4384 175.8319 55 A 4.2646 8.4967 128.8082 51.2337 19.4949 174.8548 *57 P 3.9955 0.0000 0.0000 61.9399 32.4276 178.0421 58 A 3.9039 8.5122 125.3087 55.2535 18.4048 179.5962 59 K 4.4155 7.9152 110.8979 57.7022 32.5857 176.9767 60 D 4.7523 8.1235 118.0217 53.7304 43.4716 177.2377 61 L 3.7294 7.7057 120.6145 58.0520 41.9888 178.7100 62 A 4.1534 7.9079 118.6887 54.1235 18.4017 177.5682 63 T 4.4706 7.7762 110.7000 63.3288 70.3437 175.2083 64 R 4.5369 7.4951 118.4622 55.4498 31.5111 176.9693 65 I 3.4399 7.6954 120.1568 63.7633 37.9552 177.8613 66 G 3.7591 8.0140 107.6436 47.5591 0.0000 173.9091 67 E 4.1934 8.0947 118.6607 57.7378 29.9541 176.9648 68 L 4.4635 7.7308 118.8930 53.7592 42.9556 175.4862 69 D 4.9350 9.2842 121.4137 52.0944 42.1682 175.1889 70 P 3.6500 0.0000 0.0000 65.6197 31.3562 177.7608 71 A 4.0848 7.8851 118.8429 54.7611 18.4423 178.0099 72 K 4.2832 7.9603 114.5838 56.6816 33.4058 176.9046 73 T 4.8435 7.8486 118.5873 62.3438 70.7645 173.4870 74 Y 4.9125 8.9415 124.6146 56.9287 40.4563 175.2516 75 V 4.8592 8.9655 122.2750 61.4854 34.2745 174.6609 76 V 4.8642 8.6100 122.3281 60.5339 33.7429 175.0999 77 Y 5.0846 8.2435 120.8717 55.8926 41.9624 173.7216 78 D 5.3246 8.3924 120.0530 52.7479 44.9848 175.3785 79 W 4.4095 10.0632 117.9517 59.9770 29.2945 178.5483 80 T 4.5974 8.0158 104.6235 59.8795 69.6352 174.9178 81 G 4.0496 8.6130 109.1608 46.0248 0.0000 173.7449 82 G 4.1165 7.8462 108.3416 45.4466 0.0000 173.3470 83 T 4.7710 7.6478 109.8910 59.6583 71.9266 173.9867 84 T 4.4664 8.2419 110.0678 62.0450 68.8691 175.9163 85 L 4.0732 7.7327 125.2923 58.3338 42.0586 179.2313 86 G 3.6163 7.8878 106.6488 47.3017 0.0000 175.8184 87 K 3.9489 7.9301 120.8077 59.0187 31.6720 179.2973 88 T 3.7968 7.8929 116.0173 66.6844 68.4314 176.2369 89 A 3.8984 7.6077 122.4127 55.1023 18.4407 179.2232 90 L 3.7560 7.7518 118.8008 58.2894 42.0586 178.9383 91 L 3.9116 8.0900 120.3397 58.0221 41.9687 179.1204 92 V 3.5002 7.3889 117.5683 66.0723 31.6188 178.0293 93 L 3.8322 7.8523 118.6435 57.8356 41.2688 179.6319 94 L 4.2267 8.4755 119.1988 57.7934 41.2614 179.7491 95 S 4.1896 7.9464 114.4738 61.1428 62.8712 175.7264 96 A 4.3479 7.7898 120.2694 52.4883 18.1084 178.2879 97 G 3.7934 7.8261 106.9426 45.3437 0.0000 173.9925 98 F 4.4413 7.8274 118.1003 57.0664 40.6154 174.4480 99 E 4.5903 9.0255 119.5996 54.6781 31.5547 174.1959 100 A 5.7349 8.0555 127.0536 49.5648 22.9626 173.9418 101 Y 4.8553 8.1909 114.9139 56.3513 43.2678 173.7507 102 E 4.8061 9.3503 123.2947 54.6134 31.7406 174.8966 103 L 4.1780 8.9309 129.4393 54.6767 43.1660 176.1343 104 A 4.3850 8.5305 130.7330 53.9605 18.8878 176.5117 105 G 3.9751 9.0517 111.2499 43.8266 0.0000 174.2615 106 A 3.9280 8.0356 121.9841 52.0541 18.2420 176.9464 107 L 3.7118 8.0988 113.9585 58.5175 42.0195 179.8923 108 E 4.1405 8.1888 118.3316 59.6364 29.2656 179.6747 109 G 3.6697 7.8928 103.7448 47.6498 0.0000 174.8999 110 W 4.2007 8.0640 131.1579 60.2079 30.4540 178.2331 111 K 4.2352 8.4627 117.4780 58.9044 31.6681 180.2238 112 G 3.8514 8.1697 106.7206 44.4594 0.0000 173.9422 *114 Q 4.2182 7.9178 116.4627 55.0839 30.3826 175.8395 115 L 3.8653 7.4334 117.7189 53.1169 42.4558 174.7300 116 P 4.2336 0.0000 0.0000 62.6946 31.6164 174.8809 117 V 5.0612 8.4795 123.8924 60.8713 35.0167 173.8231 118 E 4.9056 9.3909 123.9019 54.8551 33.6869 174.3132 119 T 4.5994 7.8548 115.8063 61.0574 70.8981 174.3969 120 L 4.0620 8.3641 127.2764 55.8538 42.1312 173.6344 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 2 N 8.28 4.70 0.00 2.74 2.88 0.00 0.00 7.10 7.61 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 3 D 8.10 4.20 0.00 2.85 2.70 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 4 K 8.89 3.98 0.00 1.80 1.88 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 5 K 7.94 3.98 0.00 1.99 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 6 I 7.45 3.74 2.00 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 1.69 0.98 0.93 0.00 0.00 7 E 8.56 3.95 0.00 2.11 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 0.00 2.34 2.35 0.00 8 L 8.14 4.02 0.00 1.85 1.75 1.01 0.50 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 9 L 8.42 4.12 0.00 1.89 1.74 0.92 0.66 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 10 T 8.13 3.98 4.31 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 1.26 0.00 0.00 11 T 7.87 4.10 4.34 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 1.27 0.00 0.00 12 Y 8.46 4.06 0.00 3.24 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 13 L 8.34 4.36 0.00 1.92 1.82 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.94 4.43 0.00 4.18 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 15 L 8.12 4.19 0.00 1.40 1.36 0.64 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.21 5.73 0.00 3.00 2.93 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 17 I 8.06 4.49 1.48 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.06 0.78 0.00 0.00 18 D 8.63 4.78 0.00 2.77 2.48 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 19 H 9.06 4.45 0.00 3.83 3.74 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.03 4.14 0.00 3.40 3.35 0.00 5.81 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 21 T 7.77 3.95 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 1.25 0.00 0.00 22 V 7.53 3.59 2.37 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 0.81 0.00 0.00 0.68 0.00 0.00 23 L 8.02 4.29 0.00 1.95 1.88 0.92 0.75 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 24 A 8.34 4.24 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 25 D 7.72 4.72 0.00 3.14 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 *27 Q 7.94 4.27 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 28 N 8.27 4.37 0.00 2.96 2.88 0.00 0.00 7.11 6.82 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 29 A 7.94 3.83 1.33 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 0.00 0.00 30 T 7.82 4.05 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 1.21 0.00 0.00 31 G 7.11 4.08 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 0.00 0.00 0.00 32 K 9.03 4.48 0.00 1.51 1.80 0.00 1.05 0.00 0.00 1.34 0.00 0.00 2.30 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.21 0.34 7.81 33 Y 8.12 5.21 0.00 3.06 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.46 4.26 1.20 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 1.04 0.00 0.00 0.64 0.00 0.00 35 V 8.39 4.59 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 0.95 0.00 0.00 0.82 0.00 0.00 36 L 8.81 4.96 0.00 1.52 1.45 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.51 3.37 0.00 2.41 2.35 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 38 V 7.50 4.25 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 0.65 0.00 0.00 0.81 0.00 0.00 39 R 7.41 4.40 0.00 1.81 1.92 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.22 0.00 40 N 8.67 4.55 0.00 2.78 2.85 0.00 0.00 6.84 7.35 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 41 A 7.96 4.67 1.45 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 0.00 0.00 42 P 0.00 4.40 0.00 2.25 2.21 0.00 3.79 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 2.12 2.00 0.00 43 A 8.72 4.01 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 44 Q 8.03 3.94 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 45 V 7.79 3.93 2.31 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 0.98 0.00 0.00 0.98 0.00 0.00 46 K 8.14 4.24 0.00 1.84 1.74 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.70 7.81 47 K 8.36 3.37 0.00 2.05 2.14 0.00 1.47 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.59 7.81 48 D 8.13 5.26 0.00 2.61 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 49 Q 7.83 4.63 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 50 I 7.78 3.99 1.47 0.00 0.00 -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 0.26 -0.36 0.31 0.00 0.00 51 K 8.36 3.89 0.00 1.81 1.92 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.52 7.81 52 G 8.55 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 0.00 0.00 0.00 53 A 8.15 4.43 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 54 I 8.71 4.46 1.89 0.00 0.00 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 1.18 0.89 0.90 0.00 0.00 55 A 8.50 4.26 1.16 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 0.00 0.00 *57 P 0.00 4.00 0.00 2.16 1.97 0.00 3.54 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 1.96 2.02 0.00 58 A 8.51 3.90 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 59 K 7.92 4.42 0.00 1.86 2.05 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 60 D 8.12 4.75 0.00 2.63 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 61 L 7.71 3.73 0.00 1.63 1.57 0.65 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.91 4.15 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 63 T 7.78 4.47 4.34 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 1.19 0.00 0.00 64 R 7.50 4.54 0.00 1.74 2.03 0.00 3.10 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 65 I 7.70 3.44 1.89 0.00 0.00 0.78 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 1.12 0.90 0.00 0.00 66 G 8.01 3.76 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 0.00 67 E 8.09 4.19 0.00 1.98 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 2.32 2.38 0.00 68 L 7.73 4.46 0.00 1.41 1.13 -0.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.28 4.94 0.00 2.82 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 70 P 0.00 3.65 0.00 1.91 1.66 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 71 A 7.89 4.08 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 72 K 7.96 4.28 0.00 1.86 1.38 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.72 1.56 7.81 73 T 7.85 4.84 4.46 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 1.76 0.00 0.00 74 Y 8.94 4.91 0.00 2.89 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 75 V 8.97 4.86 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 1.02 0.00 0.00 0.90 0.00 0.00 76 V 8.61 4.86 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 0.62 0.00 0.00 0.92 0.00 0.00 77 Y 8.24 5.08 0.00 2.88 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 78 D 8.39 5.32 0.00 2.76 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 79 W 10.06 4.41 0.00 3.22 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 80 T 8.02 4.60 4.34 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 1.41 0.00 0.00 81 G 8.61 4.05 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 0.00 0.00 0.00 82 G 7.85 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 83 T 7.65 4.77 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 1.28 0.00 0.00 84 T 8.24 4.47 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 85 L 7.73 4.07 0.00 1.84 1.82 0.92 1.29 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 86 G 7.89 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 0.00 0.00 0.00 87 K 7.93 3.95 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.46 7.81 88 T 7.89 3.80 4.42 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 1.17 0.00 0.00 89 A 7.61 3.90 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 90 L 7.75 3.76 0.00 1.88 1.74 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.09 3.91 0.00 1.83 1.78 0.90 1.17 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 92 V 7.39 3.50 2.16 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 0.89 0.00 0.00 0.92 0.00 0.00 93 L 7.85 3.83 0.00 1.73 1.52 0.69 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.48 4.23 0.00 1.63 1.68 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.95 4.19 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.79 4.35 1.52 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 97 G 7.83 3.79 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 0.00 0.00 0.00 98 F 7.83 4.44 0.00 3.05 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 99 E 9.03 4.59 0.00 2.04 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 2.12 2.26 0.00 100 A 8.06 5.73 1.15 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 0.00 101 Y 8.19 4.86 0.00 2.82 2.73 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 0.00 102 E 9.35 4.81 0.00 1.40 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 2.24 2.13 0.00 103 L 8.93 4.18 0.00 1.80 1.60 0.92 0.54 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 0.00 104 A 8.53 4.39 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 0.00 105 G 9.05 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 0.00 106 A 8.04 3.93 1.58 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 0.00 107 L 8.10 3.71 0.00 1.69 1.91 0.74 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.19 4.14 0.00 2.18 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 2.65 0.00 109 G 7.89 3.67 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 0.00 0.00 0.00 110 W 8.06 4.20 0.00 3.44 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 0.00 111 K 8.46 4.24 0.00 1.81 1.90 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.65 7.81 112 G 8.17 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 *114 Q 7.92 4.22 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.97 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 115 L 7.43 3.87 0.00 0.27 0.23 -0.27 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.23 0.00 2.25 2.29 0.00 3.28 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.07 0.00 117 V 8.48 5.06 2.15 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 0.94 0.00 0.00 1.19 0.00 0.00 118 E 9.39 4.91 0.00 2.03 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 2.19 2.26 0.00 119 T 7.85 4.60 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 1.33 0.00 0.00 120 L 8.36 4.06 0.00 1.53 1.46 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.