NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4839 8.1749 117.3746 63.4622 70.0877 172.8762 2 S 4.6409 9.6515 121.7976 54.9672 65.9678 171.6085 3 I 5.3307 8.1237 118.0562 59.6982 41.2138 173.9134 4 M 4.8267 8.7925 119.1735 54.5931 34.8274 173.1876 5 A 5.1636 8.4527 120.8664 50.3360 22.5018 175.5870 6 V 4.5293 8.9526 121.9786 61.1962 34.8523 174.6800 7 T 4.7612 8.7102 118.3063 60.7359 70.1973 173.6767 8 F 5.0081 8.2715 118.4084 54.6304 41.4570 175.1253 9 K 3.7917 9.1104 121.0093 59.9796 31.5818 176.8840 10 D 4.6029 7.9089 114.1561 53.8741 43.1941 176.6005 11 G 4.3183 5.7446 112.5442 44.7521 0.0000 175.8022 12 V 4.8892 7.9149 115.5036 60.7052 33.8977 172.2727 13 I 4.6831 8.6602 122.7816 59.5737 40.6366 174.2795 14 L 5.1388 8.5567 125.2568 53.0328 44.0483 176.0358 15 G 4.3555 9.1516 109.3060 44.9361 0.0000 171.0491 16 A 5.7522 8.4824 120.8496 51.8641 22.2821 175.8508 17 D 4.8014 8.5019 119.6894 52.1029 42.1902 176.1163 18 S 4.9681 8.3294 111.1638 57.2384 64.2741 172.9121 19 R 5.1269 8.5209 121.0636 55.6243 31.9278 174.9764 20 T 4.8148 8.8218 116.6873 60.0393 71.3857 173.1518 21 T 5.0836 8.5703 114.3400 60.3368 72.6274 174.1484 22 T 4.5224 8.6382 119.0512 61.9667 70.2381 175.8100 23 G 3.9725 8.1355 119.4643 46.6922 0.0000 172.1493 24 A 4.5320 8.8466 127.1247 51.5515 19.3678 176.0809 25 Y 4.5171 7.7905 118.9784 56.4482 39.8454 175.0365 26 I 4.2294 7.3567 127.9788 59.8741 36.4132 175.3594 27 A 4.1174 8.2159 129.2664 54.3499 18.6589 177.7107 28 N 4.8933 7.9426 113.1672 52.0292 41.7064 174.6163 29 R 4.5111 8.6316 120.5248 56.3231 30.5885 176.4199 30 V 4.5621 8.0289 112.8230 61.2478 32.1207 176.2911 31 T 3.9673 8.3789 117.2469 63.9892 69.8120 173.6408 32 D 4.9789 8.6446 124.8406 52.8608 41.9627 175.6927 33 K 4.3297 8.6822 124.5357 56.7989 33.6381 176.3785 34 L 4.7124 8.1329 121.1070 53.9768 42.0685 175.8520 35 T 4.5679 8.6755 121.5147 61.5105 71.2328 174.1704 36 R 3.1841 7.8084 126.0095 55.1124 30.3421 176.2485 37 V 4.1518 7.4545 117.8893 61.1948 33.0363 174.9629 38 H 4.4413 7.5882 117.5064 55.5499 32.3912 174.1895 39 D 4.5498 8.3018 123.9247 56.7985 40.7951 179.7149 40 K 5.0074 8.1425 117.3355 56.1228 34.0275 175.6745 41 I 5.1561 8.4840 121.2628 59.9053 40.8432 174.8124 42 W 5.2982 9.5911 127.2649 54.8945 33.2598 174.1633 43 C 5.3606 9.4523 114.8965 57.2624 33.4387 172.5576 44 C 5.2906 9.0884 117.2257 58.1162 30.4544 173.2893 45 R 5.1053 8.5332 123.2454 54.5992 31.5544 175.9909 46 S 4.5567 8.9241 116.7240 57.1733 66.6609 172.8349 47 G 4.0782 9.0085 105.6244 44.2491 0.0000 175.2587 48 S 4.1933 9.8330 120.7328 57.5954 62.9350 174.5656 49 A 3.9893 8.9328 129.9227 55.2337 18.1391 179.1124 50 A 3.9357 7.9303 118.6211 55.3978 18.5074 179.2332 51 D 4.3390 8.5140 117.9996 57.9380 40.9942 179.3512 52 T 3.9479 8.2242 110.3450 64.8429 68.6140 176.4718 53 Q 3.9616 8.3123 120.6217 58.7107 28.8410 178.5644 54 A 3.9915 8.1884 121.8116 55.1957 18.3518 179.7174 55 I 3.5837 8.0803 118.1937 64.4063 37.1646 178.3448 56 A 3.9948 8.4802 121.8595 55.5275 18.2808 179.2098 57 D 4.3349 8.3813 117.5426 57.7362 40.7914 179.4531 58 I 3.7596 7.6887 119.9650 64.3414 37.1153 178.5858 59 V 3.4029 7.7196 119.1975 65.8519 31.1773 177.6106 60 Q 4.0457 8.2800 119.6161 59.4671 28.8710 177.6373 61 Y 4.0702 8.0427 120.2678 61.1849 38.7372 177.9160 62 H 3.7251 8.4488 117.0807 58.9229 28.8601 177.9059 63 L 3.9682 8.2885 121.0821 57.5501 41.3717 179.1789 64 E 3.9724 8.2804 119.6225 59.1813 29.0460 178.6618 65 L 3.8659 7.6816 120.3945 57.7281 41.9502 178.3468 66 Y 3.8730 8.0047 119.8498 60.8443 38.5823 177.8615 67 T 4.4824 8.1536 116.8448 66.5081 68.7293 176.1299 68 S 4.1348 7.5644 115.3095 61.5377 62.8724 176.1851 69 Q 4.1061 6.9627 117.6051 56.5419 29.4397 176.1436 70 Y 4.4885 7.7115 115.6755 57.6442 39.4560 175.2148 *72 G 3.8718 7.5834 109.0220 45.1344 0.0000 172.2756 73 T 4.1961 8.5862 115.1458 63.6723 68.6743 172.5338 74 P 4.5399 0.0000 0.0000 61.7212 32.7653 176.1003 75 S 4.4240 8.0938 114.3472 58.0901 64.0985 175.3770 76 T 3.9240 8.3281 117.8848 66.6490 68.1428 176.6184 77 E 3.9341 8.1095 120.9712 59.4582 29.6407 178.9186 78 T 3.7893 7.7781 115.7356 66.4143 68.4640 176.5465 79 A 3.9689 7.8175 122.0994 55.1780 18.3220 179.5893 80 A 4.1173 8.1309 119.3357 55.2503 18.3298 179.8364 81 S 4.0286 7.9890 111.8366 61.4640 62.4480 176.6222 82 V 3.5281 7.8307 121.0365 65.8904 31.2256 178.0056 83 F 3.9994 8.2254 117.5984 60.3845 38.7988 177.5212 84 K 3.9995 8.5204 119.4996 59.5415 32.1088 178.2141 85 E 4.0065 8.5441 119.9303 59.4077 29.3426 178.9298 86 L 4.0050 7.9893 118.7289 58.1759 41.5536 179.3163 87 C 4.2246 8.3510 115.6805 62.8308 28.3064 175.4612 88 Y 4.2185 8.7647 121.4471 60.8071 38.3786 177.3453 89 E 3.9515 8.0737 118.1423 58.1505 28.7534 176.8210 90 N 5.0207 7.6996 116.2946 52.4415 39.5930 176.3656 91 K 4.1971 7.8394 120.9021 60.2940 32.6979 177.9696 92 D 4.2957 7.9127 118.4656 56.9763 40.9293 177.3646 *94 N 5.1436 7.8868 114.0990 52.6203 40.0122 173.6979 95 L 5.1940 7.3971 117.1915 53.6007 45.6271 176.9879 96 T 4.7274 8.8633 116.7573 61.4999 69.7759 170.9133 97 A 4.9161 8.2663 123.6864 49.8767 22.4966 175.5209 98 G 4.2216 9.3759 111.1410 44.1277 0.0000 172.1642 99 I 5.0570 8.2800 126.8089 58.9870 40.4526 175.2862 100 I 4.3259 8.3757 126.9918 59.5415 39.4664 174.5695 101 V 4.6399 8.3049 127.1821 61.1798 32.8815 174.7058 102 A 4.8449 9.0855 129.3167 50.2831 22.1852 174.8807 103 G 4.6662 8.6430 107.1302 45.0749 0.0000 171.3537 104 Y 4.6333 9.0419 123.2232 55.5309 40.5470 175.2608 105 D 4.2607 7.8695 125.1245 54.1638 41.4812 175.4586 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 T 8.17 4.48 4.25 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 1.22 0.00 0.00 2 S 9.65 4.64 0.00 3.72 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 3 I 8.12 5.33 1.88 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 1.40 0.92 0.92 0.00 0.00 4 M 8.79 4.83 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 5 A 8.45 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 6 V 8.95 4.53 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 1.11 0.00 0.00 0.94 0.00 0.00 7 T 8.71 4.76 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 1.23 0.00 0.00 8 F 8.27 5.01 0.00 3.29 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 9 K 9.11 3.79 0.00 1.82 2.11 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 D 7.91 4.60 0.00 2.71 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 11 G 5.74 4.32 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 0.00 12 V 7.91 4.89 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 0.75 0.00 0.00 1.03 0.00 0.00 13 I 8.66 4.68 1.85 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.04 0.84 0.00 0.00 14 L 8.56 5.14 0.00 1.43 1.57 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.15 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 0.00 0.00 0.00 0.00 16 A 8.48 5.75 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 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.50 4.80 0.00 2.69 2.72 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 18 S 8.33 4.97 0.00 3.96 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 19 R 8.52 5.13 0.00 1.80 2.03 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 20 T 8.82 4.81 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 1.22 0.00 0.00 21 T 8.57 5.08 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 1.21 0.00 0.00 22 T 8.64 4.52 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 1.27 0.00 0.00 23 G 8.14 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 24 A 8.85 4.53 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 25 Y 7.79 4.52 0.00 3.07 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 26 I 7.36 4.23 1.55 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.80 0.00 0.00 27 A 8.22 4.12 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 28 N 7.94 4.89 0.00 2.70 2.59 0.00 0.00 6.87 7.53 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 29 R 8.63 4.51 0.00 1.90 1.94 0.00 3.00 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 30 V 8.03 4.56 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.38 3.97 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 1.23 0.00 0.00 32 D 8.64 4.98 0.00 2.70 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 33 K 8.68 4.33 0.00 1.79 1.99 0.00 1.83 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.13 4.71 0.00 1.87 1.87 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.68 4.57 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 1.17 0.00 0.00 36 R 7.81 3.18 0.00 0.67 1.07 0.00 3.07 0.00 0.00 2.90 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 37 V 7.45 4.15 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 0.88 0.00 0.00 1.08 0.00 0.00 38 H 7.59 4.44 0.00 3.13 3.12 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.30 4.55 0.00 2.68 2.79 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 40 K 8.14 5.01 0.00 1.84 2.08 0.00 1.78 0.00 0.00 2.16 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 41 I 8.48 5.16 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.03 1.02 0.00 0.00 42 W 9.59 5.30 0.00 3.22 3.27 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 43 C 9.45 5.36 0.00 2.75 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 44 C 9.09 5.29 0.00 2.80 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 45 R 8.53 5.11 0.00 1.74 1.87 0.00 3.18 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 46 S 8.92 4.56 0.00 3.85 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 47 G 9.01 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 48 S 9.83 4.19 0.00 3.84 3.94 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 49 A 8.93 3.99 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 50 A 7.93 3.94 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 51 D 8.51 4.34 0.00 2.81 2.77 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 52 T 8.22 3.95 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 1.28 0.00 0.00 53 Q 8.31 3.96 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 54 A 8.19 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 55 I 8.08 3.58 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.99 0.00 0.00 56 A 8.48 3.99 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 57 D 8.38 4.33 0.00 2.85 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 58 I 7.69 3.76 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 1.00 0.00 0.00 59 V 7.72 3.40 1.70 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 0.65 0.00 0.00 -0.19 0.00 0.00 60 Q 8.28 4.05 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 Y 8.04 4.07 0.00 3.10 3.19 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 62 H 8.45 3.73 0.00 3.39 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.29 3.97 0.00 1.60 1.58 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.28 3.97 0.00 2.01 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 2.24 2.28 0.00 65 L 7.68 3.87 0.00 1.33 1.46 0.81 0.76 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 66 Y 8.00 3.87 0.00 3.26 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 67 T 8.15 4.48 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 1.27 0.00 0.00 68 S 7.56 4.13 0.00 3.88 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 69 Q 6.96 4.11 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.13 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 70 Y 7.71 4.49 0.00 2.31 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 *72 G 7.58 3.87 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 0.00 0.00 0.00 73 T 8.59 4.20 4.32 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 1.30 0.00 0.00 74 P 0.00 4.54 0.00 1.72 1.21 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 75 S 8.09 4.42 0.00 3.99 4.01 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 76 T 8.33 3.92 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 1.26 0.00 0.00 77 E 8.11 3.93 0.00 2.00 1.91 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 2.36 2.38 0.00 78 T 7.78 3.79 4.18 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 0.00 0.00 0.78 0.00 0.00 79 A 7.82 3.97 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 80 A 8.13 4.12 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 81 S 7.99 4.03 0.00 4.05 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 82 V 7.83 3.53 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 0.77 0.00 0.00 0.85 0.00 0.00 83 F 8.23 4.00 0.00 3.32 3.07 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 84 K 8.52 4.00 0.00 1.91 2.06 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.44 7.81 85 E 8.54 4.01 0.00 2.32 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 2.32 2.45 0.00 86 L 7.99 4.01 0.00 1.94 1.72 0.83 0.98 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 87 C 8.35 4.22 0.00 3.08 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 88 Y 8.76 4.22 0.00 2.96 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 89 E 8.07 3.95 0.00 2.36 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 2.41 0.00 90 N 7.70 5.02 0.00 2.89 2.73 0.00 0.00 6.55 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.84 4.20 0.00 1.84 2.06 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.35 1.33 7.81 92 D 7.91 4.30 0.00 2.73 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 *94 N 7.89 5.14 0.00 2.73 2.87 0.00 0.00 7.05 7.85 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 95 L 7.40 5.19 0.00 1.77 1.54 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.86 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 1.22 0.00 0.00 97 A 8.27 4.92 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 98 G 9.38 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 0.00 0.00 0.00 0.00 99 I 8.28 5.06 1.72 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.73 0.36 0.00 0.00 100 I 8.38 4.33 1.84 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 1.09 0.48 0.89 0.00 0.00 101 V 8.30 4.64 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 0.81 0.00 0.00 0.46 0.00 0.00 102 A 9.09 4.84 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 0.00 103 G 8.64 4.67 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 0.00 104 Y 9.04 4.63 0.00 2.96 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 0.00 105 D 7.87 4.26 0.00 2.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.