NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.0077 8.3349 115.3746 57.8102 64.3293 172.7409 *2 I 4.3593 7.8680 121.5637 61.5510 38.8859 174.4324 3 Q 5.1438 9.0211 125.1593 54.0761 31.7247 174.2513 4 A 5.1568 8.9844 126.0871 50.3722 22.1194 175.2939 5 T 5.0494 8.6893 118.2365 61.9633 71.8054 172.9966 6 F 5.1627 9.5746 126.2953 56.0646 40.9649 175.6503 7 I 4.5120 8.7817 123.8839 59.5447 39.6981 174.3651 8 R 4.9755 8.5623 127.2044 54.5817 32.7172 174.9967 9 R 4.5249 8.5595 124.5020 55.4176 33.2159 175.6905 10 K 4.1030 9.9702 122.6374 57.3325 29.7054 176.2416 11 G 4.0027 8.6481 107.8957 44.8094 0.0000 174.1045 12 I 4.4870 7.1548 112.8485 58.5169 39.4389 175.1436 13 L 4.1622 8.5605 124.2364 55.0825 41.9839 176.5357 14 E 4.8130 9.1525 123.2268 57.4290 32.4304 176.0546 15 S 5.4714 7.7763 111.7091 57.2835 66.7810 173.7445 16 V 4.8011 8.9665 119.9136 60.0820 34.9488 173.5133 17 E 4.7128 9.0452 124.6427 54.2697 32.3776 174.3782 18 L 5.4120 8.1776 125.7667 53.1200 45.7537 175.4297 19 T 4.9384 9.0166 111.8515 61.1662 72.1063 175.0341 20 G 4.1674 9.2275 112.0841 45.7817 0.0000 174.7599 21 H 4.4428 7.8766 113.0220 56.7397 28.9684 176.0211 22 A 3.9622 7.6519 123.1023 53.3298 18.3322 178.4748 23 G 4.1935 8.2046 99.9390 45.5026 0.0000 173.6381 24 S 4.5535 9.3353 111.1207 57.0772 64.3115 175.3127 25 G 4.0038 8.7850 109.0498 45.3355 0.0000 173.1013 26 E 4.6950 7.8117 119.5919 54.3694 31.8944 175.2879 27 Y 4.1152 8.9633 125.3043 61.2526 38.8325 178.4116 28 G 3.7231 8.2987 105.3897 48.0888 0.0000 175.0060 29 F 2.9903 7.5893 122.4362 60.5221 39.4221 176.9096 30 D 4.2658 8.3628 118.9004 56.8288 40.5236 178.8401 31 I 3.4339 7.2205 120.7277 64.1790 36.9615 178.5190 32 V 3.4595 7.1302 118.5513 66.0567 31.2459 177.8052 33 C 3.7919 7.8802 116.6139 62.5407 27.8248 175.9062 34 A 3.8733 7.9193 122.0964 54.9899 18.0482 179.3487 35 A 3.8823 7.8380 119.2054 55.3882 18.3725 180.0176 36 V 3.5593 7.9483 116.8031 66.3999 31.4179 178.4094 37 S 4.1049 8.1894 113.8960 61.7712 62.6906 176.4620 38 T 4.0153 7.8543 117.6218 66.7041 68.4715 176.3242 39 L 4.3043 7.9073 120.4844 57.8884 41.8319 179.7277 40 S 3.7411 8.2504 111.4818 60.0050 62.6650 175.4614 *42 N 4.5675 8.0269 122.3118 53.5263 40.7047 176.0317 43 L 3.7504 7.9776 119.5585 58.1004 42.1413 179.0392 44 V 3.3974 7.2420 117.4493 66.1541 31.3873 177.7932 45 N 4.2763 7.9583 115.2742 56.2108 38.5051 177.1653 46 A 3.9653 8.5027 122.4783 54.9819 18.5835 179.4059 47 L 3.9192 8.2440 120.3501 58.7165 41.5233 180.2650 48 E 4.0236 7.6421 115.8210 61.3239 29.8047 180.9514 49 V 3.9314 8.0071 118.5968 65.0338 31.7537 176.6806 50 L 4.5045 8.3398 116.1297 54.5730 43.2708 176.8772 51 A 4.5190 7.8336 118.3158 50.8111 20.0373 175.0214 52 D 4.2672 8.1359 113.9814 55.2646 39.3441 174.1547 53 C 4.5209 7.9933 117.3280 58.0371 33.7024 172.7369 54 T 4.3298 8.4171 124.6237 62.5302 68.9839 175.4040 55 V 4.1636 8.0207 119.7756 60.4204 33.5234 175.4688 56 S 4.5304 8.1961 116.4020 57.7907 63.7223 172.8494 57 L 5.0165 8.3375 128.0056 53.7567 44.6941 174.6821 58 Q 4.7232 8.7377 127.2090 54.1623 32.3048 173.6398 *60 D 4.5410 8.3079 120.3143 53.5208 41.0698 175.7185 61 E 4.6070 8.7813 118.5501 56.6321 30.5996 177.4013 *62 F 4.0478 8.1962 118.6507 57.7869 39.1410 180.2687 63 D 4.2974 9.1132 120.2994 55.8007 37.7979 175.1479 64 G 3.9480 7.6269 111.8408 44.5423 0.0000 173.4510 65 G 4.1242 9.3854 107.2039 45.8508 0.0000 171.7549 66 Y 5.4475 8.1424 121.7754 54.4286 43.1756 173.9641 *68 K 4.0287 8.3678 120.8539 56.2535 33.8084 174.0004 69 I 4.7344 8.4508 128.7465 59.8027 38.9074 174.2608 70 D 5.0771 9.1236 126.5773 52.7671 43.9884 175.5854 71 L 4.7288 9.4081 125.5430 54.4375 42.6045 178.4146 72 S 3.9738 8.5084 116.3870 61.6849 62.7609 175.1019 73 Y 4.4303 7.9515 113.6983 57.7298 38.5299 175.2541 74 I 4.2780 7.8926 123.6220 60.3297 38.0507 177.2184 75 T 3.9985 8.6465 115.9829 63.9932 69.1885 174.5683 76 N 4.9246 7.9949 119.0450 52.1540 37.8317 176.7624 77 K 3.8994 7.8924 121.6383 60.7453 32.3494 177.5502 78 S 4.4841 7.9232 110.9454 58.3868 63.7433 174.5404 79 D 4.5082 8.0430 122.5078 54.3849 42.4832 176.7112 80 E 3.9281 8.7288 123.2534 59.6730 29.7630 179.6196 81 K 4.0358 8.0003 117.9392 59.1893 32.1653 179.3863 82 V 3.5810 7.7474 118.1007 66.3521 31.5404 178.0909 83 Q 4.1995 8.4084 117.8588 58.5924 28.4352 178.4639 84 L 3.9888 8.1429 121.6191 58.1512 42.1932 178.9893 85 L 4.0310 7.9514 118.9578 57.8894 41.4992 179.3707 86 F 4.4171 8.4203 120.5831 61.4638 39.3203 177.1065 87 E 3.9908 8.9602 118.6137 59.1967 29.2456 179.0618 88 A 4.0625 8.3825 121.1018 55.0451 18.3993 179.4583 89 F 4.2531 8.5690 119.1342 61.4882 39.4869 176.9839 90 L 3.4253 8.4090 120.1667 57.9074 41.6470 178.6540 91 L 3.9247 8.3590 120.7240 58.0550 42.0501 179.2585 92 G 3.5221 8.1081 105.5624 47.7845 0.0000 175.7067 93 I 3.6107 7.5067 122.5497 64.3832 37.1333 178.5551 94 T 3.8114 7.9512 116.7412 66.8834 68.2474 176.3840 95 N 4.3677 8.3918 118.4303 56.2197 38.5146 177.5308 96 L 4.0192 8.0982 120.3287 57.6830 41.4869 179.3362 97 A 4.3509 8.1728 120.2435 55.0859 18.3131 179.3200 98 E 4.0662 8.0062 116.5836 59.5859 29.6984 178.7266 99 N 4.6283 8.0514 115.1424 54.5679 40.3206 175.8896 100 S 5.0497 8.7370 114.7859 55.1678 63.2691 173.2374 101 P 4.4674 0.0000 0.0000 65.4726 31.3192 178.2724 102 E 3.9867 7.9833 116.2445 57.7337 29.8773 177.7928 103 F 5.2262 8.0492 116.7036 57.3354 41.1429 175.5350 104 V 4.8533 7.7752 119.3608 61.4301 34.4496 174.5151 105 T 4.8324 9.2222 123.6925 61.6597 71.9560 172.6965 106 A 5.3379 8.7637 126.6934 50.0611 22.1671 175.3773 107 K 4.6300 9.5139 120.6249 54.8023 35.2838 175.9837 108 I 4.7785 8.3052 125.2639 59.6555 40.5588 175.6679 *110 T 4.3668 8.5518 111.4894 61.9071 68.3726 173.9063 111 Q 4.2243 8.3392 125.0915 56.5012 28.7618 175.9245 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 0 S 8.33 4.01 0.00 2.72 3.39 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 *2 I 7.87 4.36 2.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 1.03 0.00 0.00 3 Q 9.02 5.14 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 4 A 8.98 5.16 1.21 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 0.00 0.00 0.00 5 T 8.69 5.05 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 1.26 0.00 0.00 6 F 9.57 5.16 0.00 2.80 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 7 I 8.78 4.51 1.90 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 1.15 0.80 0.92 0.00 0.00 8 R 8.56 4.98 0.00 1.81 1.72 0.00 3.07 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 9 R 8.56 4.52 0.00 1.81 1.74 0.00 3.49 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 10 K 9.97 4.10 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.34 7.81 11 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.15 4.49 1.96 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 1.38 0.65 0.90 0.00 0.00 13 L 8.56 4.16 0.00 1.14 0.13 0.65 0.46 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 14 E 9.15 4.81 0.00 1.86 1.96 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 2.21 2.29 0.00 15 S 7.78 5.47 0.00 4.02 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 16 V 8.97 4.80 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 0.81 0.00 0.00 0.03 0.00 0.00 17 E 9.05 4.71 0.00 1.99 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 2.16 2.06 0.00 18 L 8.18 5.41 0.00 1.41 1.43 0.86 0.64 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 T 9.02 4.94 4.37 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 1.43 0.00 0.00 20 G 9.23 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 0.00 0.00 0.00 0.00 21 H 7.88 4.44 0.00 3.26 3.44 0.00 5.53 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 22 A 7.65 3.96 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 23 G 8.20 4.19 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 0.00 0.00 0.00 24 S 9.34 4.55 0.00 3.85 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 25 G 8.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 4.69 0.00 2.16 1.95 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 2.28 2.31 0.00 27 Y 8.96 4.12 0.00 3.11 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 28 G 8.30 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.59 2.99 0.00 2.57 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 30 D 8.36 4.27 0.00 2.63 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 31 I 7.22 3.43 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.56 0.77 0.00 0.00 32 V 7.13 3.46 1.78 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 1.07 0.00 0.00 0.91 0.00 0.00 33 C 7.88 3.79 0.00 2.77 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 34 A 7.92 3.87 1.29 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 0.00 0.00 35 A 7.84 3.88 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 36 V 7.95 3.56 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 1.15 0.00 0.00 0.96 0.00 0.00 37 S 8.19 4.10 0.00 3.81 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.85 4.02 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 1.21 0.00 0.00 39 L 7.91 4.30 0.00 2.13 2.17 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.25 3.74 0.00 4.05 3.74 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 *42 N 8.03 4.57 0.00 2.89 2.97 0.00 0.00 6.74 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 43 L 7.98 3.75 0.00 1.39 1.20 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.24 3.40 1.95 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 0.88 0.00 0.00 0.79 0.00 0.00 45 N 7.96 4.28 0.00 2.72 2.80 0.00 0.00 6.94 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.50 3.97 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 47 L 8.24 3.92 0.00 1.79 1.82 0.66 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 48 E 7.64 4.02 0.00 2.10 1.87 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 2.26 2.19 0.00 49 V 8.01 3.93 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 0.98 0.00 0.00 0.95 0.00 0.00 50 L 8.34 4.50 0.00 1.74 1.67 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.83 4.52 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 52 D 8.14 4.27 0.00 2.78 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 53 C 7.99 4.52 0.00 3.06 2.89 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 54 T 8.42 4.33 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 1.19 0.00 0.00 55 V 8.02 4.16 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 0.55 0.00 0.00 0.83 0.00 0.00 56 S 8.20 4.53 0.00 3.97 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 57 L 8.34 5.02 0.00 1.54 1.43 0.81 0.62 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 58 Q 8.74 4.72 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.29 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 *60 D 8.31 4.54 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.78 4.61 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 2.23 2.22 0.00 *62 F 8.20 4.05 0.00 2.15 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 0.00 0.00 0.00 0.00 63 D 9.11 4.30 0.00 2.75 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 64 G 7.63 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 65 G 9.39 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 66 Y 8.14 5.45 0.00 2.95 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 *68 K 8.37 4.03 0.00 1.66 1.71 0.00 1.88 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 69 I 8.45 4.73 1.67 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.36 0.64 0.00 0.00 70 D 9.12 5.08 0.00 2.72 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 71 L 9.41 4.73 0.00 1.95 1.74 1.17 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.51 3.97 0.00 3.84 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 73 Y 7.95 4.43 0.00 2.97 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 74 I 7.89 4.28 1.92 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 1.56 1.05 0.97 0.00 0.00 75 T 8.65 4.00 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 1.24 0.00 0.00 76 N 7.99 4.92 0.00 3.25 3.07 0.00 0.00 6.01 7.03 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 77 K 7.89 3.90 0.00 1.97 2.26 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.42 7.81 78 S 7.92 4.48 0.00 4.01 4.02 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 79 D 8.04 4.51 0.00 2.93 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 80 E 8.73 3.93 0.00 2.04 1.96 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 2.39 2.42 0.00 81 K 8.00 4.04 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.50 7.81 82 V 7.75 3.58 2.26 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 1.22 0.00 0.00 0.95 0.00 0.00 83 Q 8.41 4.20 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 84 L 8.14 3.99 0.00 1.87 1.84 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.95 4.03 0.00 1.93 1.71 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.42 4.42 0.00 3.33 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 87 E 8.96 3.99 0.00 2.19 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 2.51 2.49 0.00 88 A 8.38 4.06 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 89 F 8.57 4.25 0.00 3.21 3.55 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 90 L 8.41 3.43 0.00 1.39 1.66 -0.46 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.36 3.92 0.00 1.81 1.82 0.88 0.96 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 G 8.11 3.52 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 0.00 93 I 7.51 3.61 1.76 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 0.74 0.35 1.00 0.00 0.00 94 T 7.95 3.81 4.29 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 1.14 0.00 0.00 95 N 8.39 4.37 0.00 2.87 2.85 0.00 0.00 7.05 7.54 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 96 L 8.10 4.02 0.00 1.87 1.73 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.17 4.35 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 98 E 8.01 4.07 0.00 2.14 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 2.52 2.47 0.00 99 N 8.05 4.63 0.00 2.78 2.89 0.00 0.00 6.86 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 0.00 100 S 8.74 5.05 0.00 4.03 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 0.00 101 P 0.00 4.47 0.00 2.14 2.18 0.00 3.82 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 1.95 1.95 0.00 102 E 7.98 3.99 0.00 1.78 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 1.47 1.49 0.00 103 F 8.05 5.23 0.00 3.16 3.31 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 0.00 104 V 7.78 4.85 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 0.87 0.00 0.00 1.04 0.00 0.00 105 T 9.22 4.83 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 1.25 0.00 0.00 106 A 8.76 5.34 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 0.00 107 K 9.51 4.63 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.43 7.81 108 I 8.31 4.78 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.85 0.00 0.00 *110 T 8.55 4.37 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 1.19 0.00 0.00 111 Q 8.34 4.22 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.