NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7476 8.2833 119.1901 53.3187 39.0685 174.5065 2 T 3.7800 8.5060 124.6798 65.5144 68.6230 174.6358 3 W 3.8384 8.8150 131.3988 60.4865 31.2973 177.6524 4 Q 4.1097 8.1544 117.5239 58.9281 28.2217 178.4850 5 F 4.4707 8.0363 121.7809 61.0724 39.2210 177.4294 6 K 3.5404 7.4919 118.4365 59.1271 31.6318 179.0952 7 N 4.1553 7.5214 116.3283 56.2419 38.5196 177.2188 8 M 4.0358 7.8859 120.1347 58.5948 32.1206 178.7114 9 I 3.5558 7.2626 119.3717 64.6602 36.9613 178.6469 10 S 4.3795 7.5142 114.8192 61.3575 63.0033 175.5208 11 C 4.4686 8.4535 121.3487 58.6567 43.1116 174.8034 12 T 4.2135 7.6337 108.5436 61.8318 69.5748 174.6631 13 V 4.4175 8.0885 121.7149 60.1714 31.1594 173.8044 14 P 4.4775 0.0000 0.0000 64.5362 31.9901 177.7740 15 S 4.1571 7.5222 112.2910 59.5469 63.1558 173.8079 *17 R 4.5848 7.4684 118.8857 56.5725 31.1832 173.8315 18 S 4.9287 8.0581 112.1091 55.6966 65.2210 174.7669 19 W 4.4845 8.8148 121.2176 59.3326 27.6420 178.1927 20 W 4.1125 6.9223 119.5192 59.8443 28.1292 177.7926 21 D 4.2137 7.9718 117.7486 56.2462 40.5252 177.6338 22 F 4.7401 8.5153 116.5564 57.4116 39.8275 177.3726 23 A 4.5214 8.2770 121.8203 53.9813 19.3882 176.5155 24 D 4.8316 7.9736 116.2449 52.7477 42.0984 171.8517 25 Y 4.8881 7.6520 121.9822 56.1225 42.7192 175.6809 26 G 3.9865 7.9535 115.9924 46.5100 0.0000 172.3840 27 C 4.5352 10.4366 114.8135 57.8905 41.2809 174.9527 28 Y 4.1607 8.6073 115.4814 58.5748 39.2142 175.6828 29 C 4.7024 7.9031 115.6024 57.1995 40.9888 172.2532 30 G 4.5631 9.7477 115.0160 44.4935 0.0000 174.6736 31 R 4.6991 8.0965 121.2247 56.2840 37.3218 175.8652 32 G 3.6670 8.9681 103.7402 45.4357 0.0000 173.5573 33 G 3.7601 8.0522 113.3379 43.9918 0.0000 172.8472 34 S 4.4204 6.5434 110.6815 58.7415 64.9728 178.7144 35 G 3.8522 8.9206 110.5846 45.5165 0.0000 171.9825 36 T 4.4576 8.3920 116.0861 62.0734 69.8546 174.1386 37 P 4.1817 0.0000 0.0000 64.1395 31.5840 178.5237 38 S 3.9822 8.2707 109.2483 58.7751 62.9168 169.8302 39 D 4.5414 7.6254 116.2534 52.7288 44.7600 176.1168 40 D 4.3600 8.6105 124.2305 57.3823 40.7404 178.7356 41 L 3.9435 8.1163 120.2696 58.4148 42.1052 178.4476 42 D 4.4803 8.2330 117.3797 57.3287 41.2460 177.8032 43 R 3.8511 8.6881 119.8634 59.5001 29.9446 177.9014 44 C 4.3467 8.2362 116.4143 60.3262 35.1936 175.3995 45 C 4.4594 8.1190 118.2395 60.0849 36.9517 175.9819 46 Q 3.9379 8.2355 121.2102 59.5317 28.4853 178.4825 47 T 3.8211 7.8964 116.7975 66.8455 68.5779 176.0354 48 H 3.8568 8.2668 120.1625 59.1467 29.7203 177.1917 49 D 4.2095 7.8960 120.4369 57.4794 40.7887 178.2014 50 N 4.3429 8.0398 116.9835 56.6372 38.4309 176.5620 51 C 4.2476 8.3544 119.8484 59.9550 44.4339 175.3463 52 Y 4.2484 7.7078 117.9087 61.1661 37.2097 177.9381 53 N 4.3610 8.5264 116.9768 56.3603 38.8377 177.1069 54 E 4.0837 8.4080 119.5775 59.5150 29.5733 179.2545 55 A 4.0171 8.3012 120.7896 54.9803 18.1510 178.7790 56 E 4.1762 8.0839 115.2005 57.8461 29.7146 178.7097 57 K 4.1310 8.1208 119.1892 57.9603 32.8459 177.7108 58 I 3.7684 7.1150 120.9153 60.6436 37.5889 175.2817 59 S 4.0858 8.7612 119.1383 59.8304 62.2500 173.8666 60 G 3.8390 8.8158 114.6639 46.3478 0.0000 173.3132 61 C 4.3599 8.0490 119.8596 55.9466 43.5615 173.3807 62 N 4.7895 8.3882 126.2646 50.5259 37.9618 173.5128 63 P 3.9684 0.0000 0.0000 65.4924 31.7167 178.3834 64 R 3.8623 7.9552 116.2737 58.5662 30.0081 178.0562 65 F 4.5233 8.0076 113.1591 57.1708 40.1743 175.6688 66 R 4.0176 8.1560 122.5918 56.2565 29.9885 175.6939 67 T 4.2148 8.4718 123.1292 62.7937 69.1563 173.8342 68 Y 4.8785 8.2014 125.0599 55.1969 40.8528 174.2863 69 S 5.0705 9.4542 115.0295 56.8544 64.4580 172.5542 70 Y 5.2809 8.4513 123.5587 56.2900 41.2910 173.3876 71 A 4.3918 9.2676 120.1124 50.2230 22.9146 174.3752 72 C 5.3534 8.7465 121.4824 55.2442 46.6219 173.4214 73 T 4.4152 8.7648 123.5902 62.4275 70.6837 174.3958 74 A 3.7491 9.8064 131.6728 53.2405 15.9939 177.5934 75 G 4.4812 8.3291 107.5245 45.9939 0.0000 173.5798 76 T 4.5200 7.8174 117.2948 61.9442 70.0472 173.3114 77 L 5.3222 8.3438 125.0738 53.4267 44.1384 176.0708 78 T 4.6605 8.9217 119.3801 62.0767 72.6474 172.3147 79 C 4.9764 8.8938 124.5360 56.4895 41.1799 173.9613 80 T 4.2947 8.5647 114.9446 60.9233 69.4604 175.2529 81 G 3.7326 8.7121 110.2439 47.9892 0.0000 175.7065 82 R 4.1150 7.9760 114.4454 57.5766 29.4415 176.5077 83 N 4.6856 7.6710 117.0307 53.1554 39.7128 174.4038 84 N 4.9608 8.1654 117.0048 51.5840 40.4153 174.5622 85 A 3.9658 8.7553 118.5053 56.1628 18.2731 180.4206 86 C 4.1397 8.2436 115.8279 59.8794 44.5270 175.2349 87 A 3.9802 8.2885 122.1119 55.2300 18.0437 179.4887 88 A 3.8777 8.1428 119.0902 55.3323 18.5959 180.0967 89 S 3.9978 7.8441 113.1420 61.7666 63.0253 177.1100 90 V 3.5843 7.8549 120.9480 66.1586 31.2355 177.1393 91 C 2.9170 8.1004 118.3591 59.2255 41.7099 175.1275 92 D 4.0767 7.7592 119.1857 57.2417 40.8059 177.3764 93 C 4.0927 7.8905 116.6974 60.2018 41.4679 175.7923 94 D 3.7101 7.6764 119.9236 57.1866 40.1299 178.8064 95 R 3.7393 7.7573 119.0489 59.7342 30.0409 178.3540 96 N 4.2545 8.4130 116.1884 55.9396 38.4385 177.4268 97 A 3.6075 7.7309 122.1358 54.9368 18.4447 179.3951 98 A 3.6556 7.7583 119.2813 55.3026 18.2100 180.0390 99 I 3.6601 7.3468 117.9850 64.6721 37.0016 177.8412 100 C 4.3272 7.9302 118.1611 59.4988 37.8239 175.5145 101 F 4.4706 8.6733 119.7185 60.6233 38.4221 177.3744 102 A 4.3594 8.1373 118.0169 53.9142 18.2090 178.6790 103 G 3.8279 7.7368 102.8298 44.2120 0.0000 173.8469 104 A 4.6988 7.1854 122.8617 49.9281 20.5310 175.1941 105 P 4.3815 0.0000 0.0000 62.4630 32.1066 175.9367 106 Y 4.1431 8.4119 123.4231 56.1353 38.5133 174.9532 107 N 4.6046 8.5295 128.2761 52.1406 38.6519 175.1416 108 D 4.3109 8.6706 127.2578 57.5942 41.0579 178.9860 109 S 4.3246 8.2322 112.7848 59.9399 62.9693 174.3037 110 N 4.4324 7.8995 117.9752 52.7555 39.0567 173.9211 111 Y 4.4439 7.4516 120.5142 58.1698 39.9862 174.8406 112 N 3.8100 7.7916 123.7417 54.0959 36.0536 172.9974 113 I 4.1280 6.8886 111.2007 58.8619 40.7298 176.1415 114 D 4.4939 8.1576 120.1444 53.0902 40.0944 176.1795 115 L 3.9561 8.4667 128.0106 57.7944 42.0889 180.0139 116 Q 3.8171 8.2787 118.2452 58.6174 29.4960 177.0480 117 A 4.7726 7.2210 119.0175 50.4624 18.7438 175.6383 118 R 4.4776 7.1838 122.3255 56.8634 36.4607 177.1426 119 C 4.9815 8.3270 113.0114 56.4208 41.1274 173.7197 120 N 4.4934 8.2340 123.0255 53.7389 38.0661 174.8129 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 N 8.28 4.75 0.00 2.72 2.56 0.00 0.00 7.07 6.33 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 2 T 8.51 3.78 4.13 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 1.13 0.00 0.00 3 W 8.82 3.84 0.00 3.28 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 4 Q 8.15 4.11 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 5 F 8.04 4.47 0.00 2.97 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 6 K 7.49 3.54 0.00 1.06 1.06 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.99 7.81 7 N 7.52 4.16 0.00 2.92 2.91 0.00 0.00 7.15 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 8 M 7.89 4.04 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 9 I 7.26 3.56 1.79 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.04 0.76 0.00 0.00 10 S 7.51 4.38 0.00 3.91 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 11 C 8.45 4.47 0.00 3.13 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 12 T 7.63 4.21 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 1.19 0.00 0.00 13 V 8.09 4.42 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 1.07 0.00 0.00 0.99 0.00 0.00 14 P 0.00 4.48 0.00 2.08 2.11 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 15 S 7.52 4.16 0.00 4.14 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 *17 R 7.47 4.58 0.00 1.87 1.80 0.00 2.95 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.41 0.00 18 S 8.06 4.93 0.00 3.82 3.71 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 19 W 8.81 4.48 0.00 3.39 3.22 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 20 W 6.92 4.11 0.00 3.02 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 21 D 7.97 4.21 0.00 1.92 1.76 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 22 F 8.52 4.74 0.00 3.14 2.99 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 23 A 8.28 4.52 1.64 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 24 D 7.97 4.83 0.00 2.62 2.07 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 25 Y 7.65 4.89 0.00 3.29 2.76 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 26 G 7.95 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 27 C 10.44 4.54 0.00 3.15 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 28 Y 8.61 4.16 0.00 3.21 3.12 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 29 C 7.90 4.70 0.00 3.56 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.75 4.56 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 0.00 0.00 0.00 31 R 8.10 4.70 0.00 1.83 1.71 0.00 3.32 0.00 0.00 3.29 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 32 G 8.97 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 33 G 8.05 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 34 S 6.54 4.42 0.00 3.86 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 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 36 T 8.39 4.46 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 1.24 0.00 0.00 37 P 0.00 4.18 0.00 2.18 2.09 0.00 3.71 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 2.04 1.88 0.00 38 S 8.27 3.98 0.00 4.01 4.13 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 39 D 7.63 4.54 0.00 2.83 2.60 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 40 D 8.61 4.36 0.00 2.76 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 41 L 8.12 3.94 0.00 1.71 1.86 0.63 0.52 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 42 D 8.23 4.48 0.00 3.02 3.06 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 0.00 0.00 0.00 43 R 8.69 3.85 0.00 2.08 2.09 0.00 3.13 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 44 C 8.24 4.35 0.00 3.57 3.42 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 45 C 8.12 4.46 0.00 3.48 3.38 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 46 Q 8.24 3.94 0.00 1.39 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.10 1.73 0.00 47 T 7.90 3.82 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 1.16 0.00 0.00 48 H 8.27 3.86 0.00 3.17 3.39 0.00 5.58 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 49 D 7.90 4.21 0.00 3.13 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 50 N 8.04 4.34 0.00 2.88 2.87 0.00 0.00 6.73 7.78 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 51 C 8.35 4.25 0.00 3.02 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 52 Y 7.71 4.25 0.00 3.15 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 53 N 8.53 4.36 0.00 2.86 2.92 0.00 0.00 7.10 7.51 0.00 0.00 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 E 8.41 4.08 0.00 2.19 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 2.50 2.46 0.00 55 A 8.30 4.02 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 56 E 8.08 4.18 0.00 2.18 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 2.31 2.42 0.00 57 K 8.12 4.13 0.00 1.77 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.77 7.81 58 I 7.12 3.77 1.98 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 1.17 1.04 0.90 0.00 0.00 59 S 8.76 4.09 0.00 3.82 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 60 G 8.82 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 0.00 0.00 0.00 61 C 8.05 4.36 0.00 3.03 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 62 N 8.39 4.79 0.00 2.91 2.92 0.00 0.00 7.05 8.03 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 63 P 0.00 3.97 0.00 1.17 0.78 0.00 3.55 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 1.71 1.86 0.00 64 R 7.96 3.86 0.00 1.51 1.55 0.00 3.26 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 65 F 8.01 4.52 0.00 2.93 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 66 R 8.16 4.02 0.00 1.87 1.88 0.00 3.33 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 67 T 8.47 4.21 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 1.16 0.00 0.00 68 Y 8.20 4.88 0.00 3.09 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 69 S 9.45 5.07 0.00 3.96 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 70 Y 8.45 5.28 0.00 3.20 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 71 A 9.27 4.39 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 72 C 8.75 5.35 0.00 3.15 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 73 T 8.76 4.42 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 1.21 0.00 0.00 74 A 9.81 3.75 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 75 G 8.33 4.48 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 76 T 7.82 4.52 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 1.22 0.00 0.00 77 L 8.34 5.32 0.00 1.51 1.59 0.88 0.99 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 78 T 8.92 4.66 4.28 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 1.23 0.00 0.00 79 C 8.89 4.98 0.00 2.81 2.97 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 80 T 8.56 4.29 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 1.24 0.00 0.00 81 G 8.71 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 82 R 7.98 4.12 0.00 1.93 2.09 0.00 3.12 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 83 N 7.67 4.69 0.00 2.71 2.90 0.00 0.00 6.85 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 84 N 8.17 4.96 0.00 2.94 2.99 0.00 0.00 5.80 7.06 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 85 A 8.76 3.97 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 86 C 8.24 4.14 0.00 3.00 3.24 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 87 A 8.29 3.98 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 0.00 0.00 0.00 88 A 8.14 3.88 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 89 S 7.84 4.00 0.00 3.99 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 90 V 7.85 3.58 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 1.11 0.00 0.00 0.82 0.00 0.00 91 C 8.10 2.92 0.00 2.41 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 92 D 7.76 4.08 0.00 2.91 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 93 C 7.89 4.09 0.00 3.19 2.84 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 94 D 7.68 3.71 0.00 2.45 2.62 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 95 R 7.76 3.74 0.00 1.79 1.98 0.00 3.05 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 96 N 8.41 4.25 0.00 2.83 2.75 0.00 0.00 6.97 7.04 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 97 A 7.73 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.76 3.66 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 99 I 7.35 3.66 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.90 0.00 0.00 100 C 7.93 4.33 0.00 3.15 3.34 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 0.00 101 F 8.67 4.47 0.00 3.08 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 0.00 102 A 8.14 4.36 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.19 4.70 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 0.00 105 P 0.00 4.38 0.00 2.09 2.03 0.00 3.71 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 2.10 0.00 106 Y 8.41 4.14 0.00 2.80 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 0.00 107 N 8.53 4.60 0.00 2.79 2.68 0.00 0.00 6.87 8.62 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 0.00 108 D 8.67 4.31 0.00 2.83 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 0.00 109 S 8.23 4.32 0.00 3.98 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 0.00 110 N 7.90 4.43 0.00 2.18 1.65 0.00 0.00 6.56 8.27 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 0.00 111 Y 7.45 4.44 0.00 2.87 2.94 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 0.00 112 N 7.79 3.81 0.00 2.56 2.68 0.00 0.00 6.93 6.99 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 0.00 113 I 6.89 4.13 1.78 0.00 0.00 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 1.16 0.51 0.79 0.00 0.00 114 D 8.16 4.49 0.00 2.74 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 0.00 115 L 8.47 3.96 0.00 1.70 1.68 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.28 3.82 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 117 A 7.22 4.77 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 0.00 118 R 7.18 4.48 0.00 1.99 1.88 0.00 3.29 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 119 C 8.33 4.98 0.00 3.00 3.21 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 0.00 120 N 8.23 4.49 0.00 2.71 2.74 0.00 0.00 6.91 7.56 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 * Residues marked with a * may have inaccurate shift predictions.