NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.6063 8.1300 115.1800 56.7260 39.9013 177.0180 13 V 3.4433 7.9900 122.4873 66.7129 31.3344 174.6985 14 A 4.0124 8.7855 119.9600 55.4991 18.8637 178.5082 15 E 4.0949 8.2643 116.3951 59.6629 29.5227 179.5454 16 L 4.0753 8.2415 118.9881 57.5809 41.3622 178.9485 17 N 4.3137 8.2908 117.2033 56.5430 38.5926 176.3466 18 N 4.4293 7.8179 117.5974 55.6838 39.3124 175.8013 19 L 4.5008 7.7954 119.1908 53.3373 41.9695 176.1682 20 L 4.3779 7.0106 120.2875 56.4053 41.9007 177.7112 21 G 4.0045 9.4009 112.7423 44.9548 0.0000 173.4104 22 R 4.6589 7.7066 118.4517 54.3425 32.8810 175.3065 23 E 4.6637 8.5833 122.2915 56.5181 30.5885 175.9402 24 V 4.7276 9.0576 118.7565 60.0691 37.2318 173.4108 25 Q 5.0291 9.0171 122.3347 54.3958 32.1559 174.1382 26 V 4.7196 9.2458 125.8202 61.1498 34.5366 174.0517 27 V 4.5482 8.5324 128.2564 61.5693 33.2310 174.5690 28 L 5.4306 8.6295 127.6109 52.7884 44.1583 177.9271 29 S 4.2523 9.3113 117.0575 60.6069 63.0086 174.7748 30 N 4.6366 8.2104 117.3521 52.8869 37.4685 175.7554 31 G 4.0091 8.3498 108.5917 45.3486 0.0000 174.0569 32 E 4.3093 8.4819 119.3452 56.2678 31.4744 176.2171 33 V 4.8023 7.9252 120.3972 61.7418 34.9643 173.3479 34 Y 4.9766 9.0582 125.6740 56.0530 40.8611 174.6418 35 K 4.9349 8.8169 124.4544 54.5475 35.6598 175.5204 36 G 4.1433 8.3720 112.3805 46.2039 0.0000 171.5029 37 V 4.3810 7.7823 120.3373 62.0953 32.9131 175.3768 38 L 4.2524 8.9289 130.6080 56.0712 42.1183 176.3097 39 H 4.6759 9.3100 127.6622 57.9845 31.0360 175.1874 40 A 4.7583 7.6283 117.6559 50.5743 22.6119 175.2804 41 V 4.9905 8.3690 119.8368 61.2004 35.0544 174.1062 42 D 5.1030 8.3319 125.4330 51.0486 42.2885 176.3522 43 N 4.2324 8.6588 115.4686 56.3740 38.4377 176.2277 44 Q 3.9231 8.0353 114.3741 55.2801 28.8541 175.6072 45 L 3.7496 7.9277 116.7403 55.6777 39.5995 174.5250 46 N 4.8759 8.3761 115.8705 53.6443 39.9602 174.3191 47 I 4.9270 8.5533 120.9998 59.6125 41.8481 174.4024 48 V 4.6885 8.9663 125.9033 61.1111 34.0574 174.2440 49 L 5.2481 8.5988 127.2816 52.9760 44.7425 175.1400 50 A 4.9447 9.1176 123.7685 50.7077 21.7748 176.0344 51 N 4.4206 8.2840 117.6394 54.4041 36.6920 172.9442 52 A 5.1690 7.9355 120.5264 50.6509 22.9894 177.0766 53 S 5.8272 9.2542 112.4317 57.3100 67.1845 172.9987 54 N 5.4566 8.2361 117.7987 49.9700 39.9154 175.5259 55 K 3.8012 8.4606 117.1465 59.5630 32.0707 178.4672 56 A 3.9946 7.8553 119.0502 53.0240 18.2450 177.9785 57 G 3.8911 8.1710 104.1891 45.3521 0.0000 173.8862 58 E 4.1345 8.4419 119.5748 55.9493 30.6912 176.0449 59 K 4.9839 7.8841 121.3568 54.6513 35.6395 175.6028 60 F 4.7748 8.9603 121.4721 55.6958 43.1681 175.2986 61 N 4.4315 9.1350 121.2246 56.5155 39.8957 174.8066 62 R 4.9833 7.8551 114.7159 54.3640 34.6314 174.9363 63 V 4.0065 8.1395 121.9204 61.0456 34.5490 174.0616 64 F 4.8082 8.6718 126.9141 56.1214 39.9760 175.1055 65 I 4.4413 8.7479 129.1707 61.1100 39.9033 177.5562 *67 Y 4.7553 8.5338 121.3297 58.1154 39.7586 177.7928 68 R 3.6763 7.0614 117.9351 58.3679 30.3483 176.6401 69 Y 4.3482 7.8153 113.5668 57.5335 38.5481 174.4639 70 I 4.4636 7.5216 122.1841 60.8163 37.3654 176.0629 71 V 4.0047 8.9591 128.8911 65.5172 31.9291 175.4657 72 H 4.8747 7.6315 113.1028 54.9504 31.6053 171.9761 73 I 5.0350 8.3083 119.2307 59.6335 40.0627 174.7883 74 D 5.0736 9.1483 126.2280 52.4691 44.2490 174.9858 75 S 4.8541 8.5459 116.2049 56.4097 65.2154 173.5057 76 T 4.5197 8.5519 116.1513 61.3011 69.0299 173.6376 77 E 4.5721 7.9750 121.7406 54.9453 31.7499 175.6954 78 R 4.2577 8.5343 120.7535 55.0775 30.3177 175.8652 79 R 4.6270 8.3116 120.9010 54.1383 33.3770 174.7341 80 I 4.2879 8.1057 119.3210 59.7057 39.0241 174.9564 81 D 4.9915 8.5212 123.8220 52.4146 44.3977 176.1512 *83 R 3.8740 8.3308 117.1036 56.1678 32.0542 178.1328 84 E 3.9471 8.0729 116.7038 59.2725 29.3725 179.1305 85 F 3.1328 7.8227 120.0644 60.9244 39.3530 177.0013 86 A 3.9693 8.0058 119.8231 54.9537 17.9361 179.6182 87 K 3.8309 7.6569 116.1942 59.7870 32.3722 179.2782 88 Q 3.9894 7.9261 118.0290 58.8464 28.5889 178.7490 89 A 3.9663 8.0405 122.0052 54.9947 18.2713 179.5417 90 E 4.1861 8.0962 117.2586 59.3616 29.2345 179.5833 91 K 4.0244 7.5836 117.6649 58.7869 32.1062 178.6777 92 I 3.8515 7.3423 118.5317 61.7057 38.9744 176.0763 93 F 4.8981 8.2002 116.7036 54.5372 38.9364 173.4533 94 P 4.6839 0.0000 0.0000 63.6561 32.0031 176.8667 95 G 3.6322 8.3819 108.1101 46.6329 0.0000 174.0744 *97 V 4.1655 7.5283 116.5696 62.5006 33.0112 175.0332 98 K 4.7041 8.7218 126.2008 54.7922 35.5349 174.5358 99 Y 4.8110 8.7224 125.8757 56.7904 40.8918 174.0992 100 I 4.2169 7.8885 128.1680 59.1815 38.1326 176.2566 101 E 3.8004 8.4644 126.1554 58.7549 29.9664 178.5945 102 E 4.0650 8.1705 118.8721 58.7818 29.5407 177.5235 103 T 4.3650 7.4837 104.5141 60.2207 69.8370 172.8612 104 N 4.1143 7.7130 118.8115 54.3313 37.9500 173.0751 105 V 4.6622 7.1337 114.9719 60.9147 36.0063 174.0904 106 V 4.9287 8.8128 123.8219 61.1347 34.0946 174.1523 107 L 4.9308 8.8484 128.3092 53.6543 43.9403 175.9230 108 I 4.0734 8.3593 123.9241 60.2659 39.2892 176.2482 109 G 3.8848 8.5317 118.5812 45.0005 0.0000 172.2092 110 D 4.8790 8.6491 123.0656 52.9725 39.6624 176.5759 111 K 4.4567 7.9386 117.1501 56.1023 34.3137 175.7719 112 V 4.5871 7.2850 119.2717 60.8305 34.3474 174.2104 113 R 4.9783 9.0004 127.5739 54.4845 33.2640 173.7753 114 V 4.6960 8.9020 126.8399 61.1422 34.1631 174.6187 115 S 5.0656 8.3213 122.7036 56.1040 66.2164 174.3173 116 E 4.5114 8.9564 116.0617 58.0474 29.5602 177.4082 117 I 4.0690 8.7630 120.3426 61.7368 38.1899 176.2399 118 G 2.8668 6.1450 106.3239 43.5467 0.0000 171.5283 119 V 4.0446 7.2162 120.0705 61.8966 32.3611 175.3389 120 E 4.4577 10.3460 127.8697 53.1270 31.5164 175.3671 121 G 4.6177 7.6125 112.8887 43.8899 0.0000 171.5067 122 V 4.3616 7.6379 112.7301 59.8902 35.4960 176.1323 123 G 3.9061 8.6008 107.4642 44.2815 0.0000 172.2839 124 P 4.2316 0.0000 0.0000 65.7898 31.0466 178.7564 125 V 3.7439 7.8924 115.8918 66.2851 31.5151 177.5429 126 A 3.9982 8.0910 119.7598 55.4588 18.2163 179.2375 127 E 4.0582 8.2301 116.9417 59.2443 29.6032 179.3625 128 R 4.0099 8.3819 118.8244 59.2278 30.1851 178.4247 129 A 4.3630 8.6926 121.1050 55.2509 18.4306 179.6364 130 K 3.9938 8.2887 117.0331 59.7454 32.1454 179.4614 131 R 3.9884 8.0554 118.5056 59.2833 29.9266 178.3396 132 L 4.0392 8.2513 120.0930 58.2243 42.2437 178.3940 133 F 4.3404 9.0968 121.1047 61.6555 39.0389 176.7058 134 E 4.0133 8.4240 117.3320 59.3491 29.7464 178.2374 135 E 4.0953 8.3848 118.5918 59.4291 29.3857 178.8144 136 F 4.2542 8.8079 120.0292 61.8709 39.5336 177.3610 137 L 3.5707 7.9597 116.8434 56.9833 41.3443 177.9258 138 K 4.2084 8.1868 122.7650 56.4986 32.2867 176.4628 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 12 F 8.13 5.61 0.00 3.28 3.41 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 13 V 7.99 3.44 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 1.02 0.00 0.00 0.92 0.00 0.00 14 A 8.79 4.01 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 15 E 8.26 4.09 0.00 2.15 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 2.44 2.64 0.00 16 L 8.24 4.08 0.00 1.81 1.78 1.15 0.27 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 17 N 8.29 4.31 0.00 3.06 2.92 0.00 0.00 6.75 6.10 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 18 N 7.82 4.43 0.00 2.83 3.03 0.00 0.00 7.18 8.83 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 19 L 7.80 4.50 0.00 1.87 1.66 0.89 0.45 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 20 L 7.01 4.38 0.00 1.65 1.63 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.40 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 22 R 7.71 4.66 0.00 1.82 2.03 0.00 3.30 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 23 E 8.58 4.66 0.00 1.99 1.84 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 2.29 2.50 0.00 24 V 9.06 4.73 2.20 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 0.65 0.00 0.00 0.95 0.00 0.00 25 Q 9.02 5.03 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 26 V 9.25 4.72 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 0.93 0.00 0.00 0.97 0.00 0.00 27 V 8.53 4.55 1.74 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 0.99 0.00 0.00 0.84 0.00 0.00 28 L 8.63 5.43 0.00 1.90 1.70 1.01 0.65 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 29 S 9.31 4.25 0.00 4.00 4.06 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 30 N 8.21 4.64 0.00 2.86 2.97 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 32 E 8.48 4.31 0.00 2.19 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 2.35 2.43 0.00 33 V 7.93 4.80 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 1.00 0.00 0.00 0.92 0.00 0.00 34 Y 9.06 4.98 0.00 2.95 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 35 K 8.82 4.93 0.00 1.79 1.62 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.32 1.44 7.81 36 G 8.37 4.14 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 0.00 0.00 0.00 37 V 7.78 4.38 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 0.95 0.00 0.00 0.94 0.00 0.00 38 L 8.93 4.25 0.00 1.94 1.68 0.97 0.86 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 39 H 9.31 4.68 0.00 3.09 3.35 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.63 4.76 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 41 V 8.37 4.99 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 0.93 0.00 0.00 0.97 0.00 0.00 42 D 8.33 5.10 0.00 2.88 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 43 N 8.66 4.23 0.00 2.68 2.86 0.00 0.00 6.84 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.04 3.92 0.00 1.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 45 L 7.93 3.75 0.00 1.75 1.86 1.00 0.77 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 46 N 8.38 4.88 0.00 3.04 2.86 0.00 0.00 6.80 6.84 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 47 I 8.55 4.93 1.92 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 1.17 0.74 0.93 0.00 0.00 48 V 8.97 4.69 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 0.79 0.00 0.00 1.11 0.00 0.00 49 L 8.60 5.25 0.00 1.54 1.52 0.98 0.55 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 50 A 9.12 4.94 1.10 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 0.00 0.00 0.00 0.00 0.00 51 N 8.28 4.42 0.00 2.80 2.82 0.00 0.00 6.82 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 52 A 7.94 5.17 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 53 S 9.25 5.83 0.00 3.97 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 54 N 8.24 5.46 0.00 2.30 1.62 0.00 0.00 6.75 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 55 K 8.46 3.80 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 A 7.86 3.99 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 57 G 8.17 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 58 E 8.44 4.13 0.00 2.26 1.74 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 2.30 2.30 0.00 59 K 7.88 4.98 0.00 1.38 1.53 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.31 7.81 60 F 8.96 4.77 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 61 N 9.13 4.43 0.00 2.84 2.86 0.00 0.00 6.89 7.65 0.00 0.00 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 R 7.86 4.98 0.00 1.55 0.97 0.00 3.09 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 63 V 8.14 4.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.68 0.00 0.00 64 F 8.67 4.81 0.00 2.93 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 65 I 8.75 4.44 1.96 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 1.07 1.02 0.93 0.00 0.00 *67 Y 8.53 4.76 0.00 3.32 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 68 R 7.06 3.68 0.00 1.33 1.41 0.00 2.96 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.00 69 Y 7.82 4.35 0.00 3.07 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 70 I 7.52 4.46 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 1.03 0.00 0.00 71 V 8.96 4.00 2.19 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 0.87 0.00 0.00 0.98 0.00 0.00 72 H 7.63 4.87 0.00 3.18 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.31 5.04 1.77 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 1.38 0.72 0.89 0.00 0.00 74 D 9.15 5.07 0.00 2.55 2.52 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 75 S 8.55 4.85 0.00 3.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.52 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 1.20 0.00 0.00 77 E 7.97 4.57 0.00 1.94 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 2.19 0.00 78 R 8.53 4.26 0.00 1.83 1.88 0.00 2.90 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 79 R 8.31 4.63 0.00 1.77 1.87 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 80 I 8.11 4.29 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 1.09 0.00 0.00 81 D 8.52 4.99 0.00 2.87 2.68 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 *83 R 8.33 3.87 0.00 1.86 1.72 0.00 3.24 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.81 0.00 84 E 8.07 3.95 0.00 2.38 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 0.00 2.36 2.36 0.00 85 F 7.82 3.13 0.00 1.70 2.83 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 86 A 8.01 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 87 K 7.66 3.83 0.00 1.88 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.56 7.81 88 Q 7.93 3.99 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 89 A 8.04 3.97 1.05 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 90 E 8.10 4.19 0.00 2.25 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 2.33 2.49 0.00 91 K 7.58 4.02 0.00 1.76 1.80 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.56 7.81 92 I 7.34 3.85 1.34 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 1.43 0.48 -0.01 0.00 0.00 93 F 8.20 4.90 0.00 2.93 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 94 P 0.00 4.68 0.00 2.17 2.07 0.00 3.54 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 95 G 8.38 3.63 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 0.00 *97 V 7.53 4.17 2.23 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 0.90 0.00 0.00 1.05 0.00 0.00 98 K 8.72 4.70 0.00 1.72 1.65 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.36 7.81 99 Y 8.72 4.81 0.00 3.11 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 0.00 100 I 7.89 4.22 1.64 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.35 0.86 0.00 0.00 101 E 8.46 3.80 0.00 2.22 2.29 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 2.27 2.33 0.00 102 E 8.17 4.06 0.00 1.89 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 0.00 2.29 2.34 0.00 103 T 7.48 4.36 4.20 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 1.17 0.00 0.00 104 N 7.71 4.11 0.00 2.95 2.93 0.00 0.00 6.87 7.73 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 0.00 105 V 7.13 4.66 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 1.00 0.00 0.00 0.88 0.00 0.00 106 V 8.81 4.93 2.39 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 1.22 0.00 0.00 1.33 0.00 0.00 107 L 8.85 4.93 0.00 1.61 1.52 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.36 4.07 1.57 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 1.02 0.95 -0.16 0.00 0.00 109 G 8.53 3.88 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 0.00 0.00 0.00 110 D 8.65 4.88 0.00 2.74 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 0.00 111 K 7.94 4.46 0.00 1.69 1.81 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.28 4.59 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 0.85 0.00 0.00 0.84 0.00 0.00 113 R 9.00 4.98 0.00 1.81 1.65 0.00 3.04 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 114 V 8.90 4.70 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 0.26 0.00 0.00 0.95 0.00 0.00 115 S 8.32 5.07 0.00 3.87 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 0.00 116 E 8.96 4.51 0.00 2.23 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 2.33 2.39 0.00 117 I 8.76 4.07 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 0.88 0.00 0.00 118 G 6.14 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 0.00 0.00 0.00 119 V 7.22 4.04 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 0.74 0.00 0.00 0.81 0.00 0.00 120 E 10.35 4.46 0.00 1.86 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 0.00 2.13 2.16 0.00 121 G 7.61 4.62 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 0.00 122 V 7.64 4.36 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.60 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 0.00 124 P 0.00 4.23 0.00 2.22 2.17 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 125 V 7.89 3.74 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 0.87 0.00 0.00 0.99 0.00 0.00 126 A 8.09 4.00 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 0.00 127 E 8.23 4.06 0.00 2.29 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 2.36 2.39 0.00 128 R 8.38 4.01 0.00 2.06 2.42 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 129 A 8.69 4.36 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 0.00 130 K 8.29 3.99 0.00 2.07 1.96 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 131 R 8.06 3.99 0.00 2.30 2.09 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 132 L 8.25 4.04 0.00 1.99 2.19 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.10 4.34 0.00 3.29 3.33 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 0.00 134 E 8.42 4.01 0.00 2.22 2.21 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 2.39 2.45 0.00 135 E 8.38 4.10 0.00 2.29 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 2.74 2.53 0.00 136 F 8.81 4.25 0.00 3.08 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 0.00 137 L 7.96 3.57 0.00 1.72 1.53 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.19 4.21 0.00 1.78 1.68 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.