NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.8167 8.3531 120.5555 54.8203 42.6884 173.5320 4 G 3.7511 8.2024 113.8711 45.6917 0.0000 173.7296 *6 R 3.8710 8.6794 126.3494 55.1623 31.4747 172.8490 7 V 3.8053 8.1951 125.2692 64.5165 31.8245 175.7137 8 G 4.0561 8.8232 116.4549 44.9459 0.0000 173.6415 9 E 4.2569 8.1473 118.7330 56.4781 30.7957 176.2435 10 R 5.2995 8.6768 120.7128 54.4631 33.3553 174.6823 11 F 5.2891 9.3965 125.4949 56.6125 42.2510 174.0495 12 T 5.1867 7.6521 114.3522 59.4513 72.0391 173.0810 13 H 4.3149 7.9844 121.5637 55.4685 32.8315 171.7341 14 D 5.2716 8.3656 125.6243 52.9350 43.4325 176.3540 15 F 4.4537 8.4738 124.0081 57.1352 42.6866 173.3986 16 V 3.7679 7.7700 127.6445 62.4236 32.1772 175.5903 17 V 3.4767 8.2480 129.6063 62.0947 32.2959 174.1123 18 P 4.7265 0.0000 0.0000 60.7923 32.5363 174.9716 19 P 4.2088 0.0000 0.0000 65.9953 31.2361 177.7131 20 H 4.3557 7.9286 110.7033 55.5070 28.5308 175.3418 21 K 3.7449 7.6782 119.0328 56.4403 32.5546 176.4682 22 T 5.5206 7.2415 109.3227 59.5957 70.5640 175.7101 23 V 3.3558 8.5533 121.0545 66.0276 31.3630 178.0192 24 R 4.1695 8.0200 114.7007 58.3917 29.5636 177.4746 25 H 4.5596 8.0894 115.1587 57.1330 29.5697 176.5315 26 L 3.8903 7.8386 120.9952 57.6246 42.1473 176.8894 27 Y 5.2349 7.3902 116.1737 53.9569 37.8749 174.0579 28 P 4.6170 0.0000 0.0000 64.4492 32.2277 177.3579 29 E 4.1695 8.3339 114.2918 56.7502 29.8956 175.6812 30 S 4.5639 8.3391 116.7165 56.2213 62.5594 172.7146 31 P 4.3276 0.0000 0.0000 65.6183 31.3234 178.1505 32 E 4.1119 8.0241 116.4587 58.7243 29.6650 177.7304 33 F 4.8990 7.9109 116.4234 58.6106 39.6720 177.6335 34 A 4.1346 7.7785 122.8983 54.4393 18.1687 177.8775 35 E 4.7496 8.1993 112.8844 55.9686 30.3468 176.2125 36 F 4.1526 8.6787 118.9416 56.3772 39.4650 173.5382 37 P 4.4151 0.0000 0.0000 63.5622 31.3099 176.6074 38 E 4.5586 8.4087 119.5770 54.9425 28.3819 175.5307 39 V 4.8547 7.5275 114.8794 58.5816 36.6249 174.2002 40 F 4.9118 9.1180 125.6593 59.1851 39.6189 175.0190 41 A 4.1239 8.6728 128.2414 51.9441 18.9908 178.3603 42 T 3.6948 8.7014 117.8663 66.6940 68.8917 176.2816 43 G 3.5284 7.8008 109.7535 48.4808 0.0000 174.7414 44 F 4.7062 7.2105 118.0473 57.8997 38.6245 177.7254 *46 V 3.9248 8.0367 121.7041 62.9260 33.1061 176.8013 47 G 3.7177 7.7748 108.4686 48.5132 0.0000 175.7953 48 L 4.0774 8.1858 119.3212 55.6623 41.6544 178.3143 *50 E 4.1757 8.2864 118.5425 55.6344 31.6294 178.0472 51 W 4.3124 8.3643 127.8192 60.3418 30.7075 177.8547 52 A 3.9320 8.0447 120.7517 55.4850 17.6320 179.4487 53 C 3.0368 7.6346 113.3292 62.4797 28.1534 176.0204 54 V 3.7031 7.8769 119.3245 65.9559 31.1728 178.0695 55 R 4.0035 7.8396 116.5316 58.9956 29.9326 179.5676 56 A 3.7114 7.1635 115.8701 52.8306 18.6210 178.0390 *58 A 4.3765 7.9322 124.8999 53.2677 20.3292 178.3019 59 P 4.1955 0.0000 0.0000 64.7723 31.3394 176.5820 60 Y 4.5984 7.7832 113.5260 57.5625 38.9180 175.4635 61 L 4.6301 7.5068 120.4571 53.4533 43.0774 176.6863 62 E 4.2170 9.3041 122.4890 55.2459 30.1439 174.9433 63 P 4.3833 0.0000 0.0000 64.4381 31.8706 177.2714 64 G 3.8982 8.9979 110.2186 45.3478 0.0000 172.6588 65 E 4.9350 7.9185 119.0388 55.2378 31.4828 176.1443 66 G 4.1901 8.8611 108.3167 46.0675 0.0000 171.2579 67 S 5.2153 8.3966 113.1737 57.3419 66.1123 173.7129 68 L 4.7689 8.6278 120.1804 52.6333 45.4687 176.3826 69 G 4.1995 8.8007 110.2483 46.6458 0.0000 173.2993 70 T 4.8004 8.8323 112.8720 61.3965 70.9076 173.8623 71 A 4.6454 7.5875 121.6621 51.1788 22.5407 174.9062 72 I 5.0206 8.2929 119.8432 59.7215 41.5633 174.6748 73 C 4.6758 9.2998 129.2069 58.1975 33.5115 172.5273 74 V 5.1103 8.0849 117.5451 59.5375 35.4469 175.2975 75 T 4.3991 8.6694 114.0331 61.5032 71.0048 173.5779 76 H 5.3662 8.7160 122.1329 55.2112 31.1642 172.2672 77 T 4.6548 9.2705 115.8326 61.5359 70.3659 174.4421 78 A 4.6853 7.9493 122.8891 50.3708 22.4302 174.6134 79 A 4.7579 8.3688 121.1268 51.0145 21.1751 177.2078 80 T 4.6389 8.3731 116.4683 61.0100 72.0388 172.1049 81 P 5.0084 0.0000 0.0000 61.4195 33.1609 174.2737 82 P 4.4106 0.0000 0.0000 64.2374 31.7173 176.6602 83 G 3.9715 9.0273 110.2415 45.2105 0.0000 174.1022 84 L 4.3502 7.2407 118.4941 54.4280 43.7084 176.0517 85 T 4.5847 8.1379 117.9855 62.4137 70.3613 173.9558 86 V 4.2680 8.9039 128.1782 62.3486 33.1544 174.6940 87 T 4.7124 8.6730 125.8911 62.2164 70.1870 173.7971 88 V 4.6782 8.6125 127.7729 61.7035 33.8717 174.4698 89 T 5.0042 8.8498 124.5646 61.7730 70.9133 173.0986 90 A 5.2262 9.2480 128.8721 50.1493 21.7354 174.3629 91 E 5.1919 9.5167 124.5811 54.3082 32.5121 174.7415 92 L 3.7075 8.6224 129.4600 55.1455 42.5290 177.0790 93 R 4.3465 8.6156 125.7187 57.7266 31.9171 176.7671 94 S 4.5280 7.1335 110.1097 57.2749 66.1077 174.2659 95 V 4.5604 8.1662 120.7588 61.4491 34.0067 175.5038 96 E 4.5499 8.9674 127.4281 54.7896 31.5042 177.9445 97 G 3.9264 8.1552 116.8551 46.8479 0.0000 174.1570 98 R 4.1100 8.9978 129.9005 57.5375 30.7393 175.9315 99 R 5.0169 7.6557 120.1206 55.3909 31.1290 180.9468 100 L 5.0656 9.0093 124.5531 52.0367 45.0993 175.6005 101 S 5.1946 8.4850 118.3139 56.5760 65.7673 173.2647 102 W 5.3078 9.4278 123.5950 54.8911 33.2635 174.1485 103 R 4.9939 9.4238 124.0684 55.2093 31.3488 175.4156 104 V 5.1167 8.9269 119.6079 59.9007 35.2859 174.6281 105 S 5.1692 8.7450 116.7732 57.1784 66.3130 172.5950 106 A 5.3914 9.2462 126.8140 50.8260 22.9330 174.7049 107 H 5.3485 9.0150 115.1169 53.7219 32.5158 173.4199 108 D 5.1904 8.5629 118.6929 52.3889 39.4731 177.0148 109 G 4.1449 8.7141 110.4767 45.8107 0.0000 174.9022 110 V 4.1564 7.9430 116.5261 63.8730 33.0333 175.2083 111 D 4.9756 8.8922 118.6242 51.7443 44.3281 174.7821 112 E 4.3928 8.8254 123.1667 56.5921 30.1622 176.4405 113 I 4.4357 8.8790 119.3517 60.4087 39.9570 175.4835 114 G 4.5111 7.9699 111.0408 46.4666 0.0000 171.7597 115 S 5.0821 7.0267 112.6129 56.4228 66.5986 175.9239 116 G 4.2435 7.7244 109.2649 46.5874 0.0000 172.2773 117 T 5.3185 8.5793 114.3514 60.2030 72.6781 172.8025 118 H 5.4359 9.5642 122.5070 54.8515 33.8423 171.6576 119 E 5.3448 9.1217 124.5693 54.7487 32.5268 175.2721 120 R 5.1904 9.1997 121.3708 54.3389 35.1465 173.9644 121 A 5.2007 8.7784 122.6500 49.9171 21.9676 175.9272 122 V 4.3310 8.9331 123.8965 62.8897 32.3448 175.3914 123 I 4.6915 8.6873 120.7569 59.1850 41.5801 174.2220 124 H 4.8196 8.7193 123.4561 55.2364 30.1432 175.7842 125 L 4.0861 8.7622 128.7177 58.1748 41.6195 179.4859 126 E 4.1602 8.1685 117.7939 58.9464 29.7144 179.1997 127 K 4.0257 8.3133 118.3696 59.4345 32.1149 178.9723 128 F 4.2126 8.5247 120.9594 61.3446 39.3659 177.0051 129 N 4.1882 8.4722 115.9999 56.2342 38.0857 177.2830 130 A 4.0039 7.7248 121.0238 54.7960 18.5727 179.6351 131 K 3.9703 7.8083 116.7632 59.6525 32.1857 179.6373 132 V 3.3756 7.4817 118.5652 66.0556 31.3018 178.2488 133 R 3.9006 8.0060 117.7189 59.2697 29.6830 178.8380 134 Q 4.1166 7.5938 116.9842 57.7101 28.7527 177.5633 135 K 4.5105 7.3600 115.8678 56.1965 33.5945 176.4442 136 T 4.0861 7.5552 110.8036 61.0616 69.4990 172.8806 137 P 4.4030 0.0000 0.0000 62.9458 31.4288 176.2460 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 3 D 8.35 4.82 0.00 2.99 2.65 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 4 G 8.20 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *6 R 8.68 3.87 0.00 1.85 1.83 0.00 3.19 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 1.55 1.59 0.00 7 V 8.20 3.81 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 0.83 0.00 0.00 0.80 0.00 0.00 8 G 8.82 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 0.00 0.00 0.00 9 E 8.15 4.26 0.00 2.14 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 2.37 2.43 0.00 10 R 8.68 5.30 0.00 1.75 1.92 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 11 F 9.40 5.29 0.00 3.10 2.92 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 12 T 7.65 5.19 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 1.13 0.00 0.00 13 H 7.98 4.31 0.00 2.59 2.96 0.00 5.66 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.37 5.27 0.00 2.47 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.45 0.00 2.85 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 16 V 7.77 3.77 1.71 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 0.58 0.00 0.00 0.74 0.00 0.00 17 V 8.25 3.48 1.83 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 0.78 0.00 0.00 0.31 0.00 0.00 18 P 0.00 4.73 0.00 2.01 2.00 0.00 3.66 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 19 P 0.00 4.21 0.00 2.19 2.16 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 20 H 7.93 4.36 0.00 3.13 3.25 0.00 5.48 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.68 3.74 0.00 1.82 1.65 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.03 1.57 7.81 22 T 7.24 5.52 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 1.37 0.00 0.00 23 V 8.55 3.36 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 -0.20 0.00 0.00 0.96 0.00 0.00 24 R 8.02 4.17 0.00 2.09 2.40 0.00 3.10 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 25 H 8.09 4.56 0.00 3.58 3.63 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.84 3.89 0.00 1.14 1.60 -0.26 1.06 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 27 Y 7.39 5.23 0.00 3.24 2.95 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 28 P 0.00 4.62 0.00 2.07 2.15 0.00 3.70 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 29 E 8.33 4.17 0.00 2.18 2.24 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 2.58 2.38 0.00 30 S 8.34 4.56 0.00 3.84 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 0.00 31 P 0.00 4.33 0.00 2.07 2.10 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 32 E 8.02 4.11 0.00 1.57 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 2.19 2.33 0.00 33 F 7.91 4.90 0.00 3.11 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 7.78 4.13 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 35 E 8.20 4.75 0.00 2.03 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 2.25 2.35 0.00 36 F 8.68 4.15 0.00 3.20 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 37 P 0.00 4.42 0.00 2.22 2.09 0.00 3.53 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 38 E 8.41 4.56 0.00 2.03 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 2.33 2.38 0.00 39 V 7.53 4.85 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 0.80 0.00 0.00 1.03 0.00 0.00 40 F 9.12 4.91 0.00 3.12 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 41 A 8.67 4.12 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 42 T 8.70 3.69 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 1.19 0.00 0.00 43 G 7.80 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.21 4.71 0.00 2.63 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 *46 V 8.04 3.92 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 0.72 0.00 0.00 0.91 0.00 0.00 47 G 7.77 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 48 L 8.19 4.08 0.00 2.03 1.74 0.64 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.29 4.18 0.00 2.25 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 2.08 2.39 0.00 51 W 8.36 4.31 0.00 3.53 3.32 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 52 A 8.04 3.93 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 53 C 7.63 3.04 0.00 2.65 1.80 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 54 V 7.88 3.70 2.32 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 0.86 0.00 0.00 0.95 0.00 0.00 55 R 7.84 4.00 0.00 1.74 1.54 0.00 2.99 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 56 A 7.16 3.71 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 *58 A 7.93 4.38 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 59 P 0.00 4.20 0.00 1.16 1.79 0.00 3.84 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 1.81 1.93 0.00 60 Y 7.78 4.60 0.00 2.98 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 61 L 7.51 4.63 0.00 1.63 1.61 0.95 1.48 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 62 E 9.30 4.22 0.00 2.04 1.88 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 2.46 2.44 0.00 63 P 0.00 4.38 0.00 2.03 1.99 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 G 9.00 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 0.00 0.00 0.00 65 E 7.92 4.93 0.00 2.19 1.88 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 2.29 2.24 0.00 66 G 8.86 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 67 S 8.40 5.22 0.00 3.95 3.81 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 0.00 0.00 0.00 0.00 68 L 8.63 4.77 0.00 1.46 1.45 0.42 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.80 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 0.00 0.00 0.00 0.00 70 T 8.83 4.80 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 1.26 0.00 0.00 71 A 7.59 4.65 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 72 I 8.29 5.02 1.92 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 1.22 0.86 0.93 0.00 0.00 73 C 9.30 4.68 0.00 3.02 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 74 V 8.08 5.11 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 0.85 0.00 0.00 0.93 0.00 0.00 75 T 8.67 4.40 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 1.24 0.00 0.00 76 H 8.72 5.37 0.00 3.10 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.27 4.65 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 1.25 0.00 0.00 78 A 7.95 4.69 1.30 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 0.00 0.00 0.00 79 A 8.37 4.76 1.26 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 0.00 0.00 80 T 8.37 4.64 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 1.15 0.00 0.00 81 P 0.00 5.01 0.00 2.11 2.19 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.41 0.00 2.03 1.95 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 G 9.03 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 84 L 7.24 4.35 0.00 1.65 1.66 0.91 0.57 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 85 T 8.14 4.58 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 1.09 0.00 0.00 86 V 8.90 4.27 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 0.97 0.00 0.00 0.66 0.00 0.00 87 T 8.67 4.71 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 1.17 0.00 0.00 88 V 8.61 4.68 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 0.94 0.00 0.00 0.94 0.00 0.00 89 T 8.85 5.00 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 90 A 9.25 5.23 1.14 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 91 E 9.52 5.19 0.00 2.09 1.89 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 2.23 2.40 0.00 92 L 8.62 3.71 0.00 1.13 1.24 -0.34 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.62 4.35 0.00 1.69 1.87 0.00 3.28 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 94 S 7.13 4.53 0.00 3.75 3.81 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 0.00 0.00 0.00 0.00 95 V 8.17 4.56 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 0.75 0.00 0.00 0.71 0.00 0.00 96 E 8.97 4.55 0.00 1.95 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 2.17 2.16 0.00 97 G 8.16 3.93 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 0.00 0.00 0.00 98 R 9.00 4.11 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 99 R 7.66 5.02 0.00 1.47 1.81 0.00 3.22 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 100 L 9.01 5.07 0.00 1.44 1.19 0.93 0.59 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 0.00 101 S 8.49 5.19 0.00 3.63 3.70 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 0.00 102 W 9.43 5.31 0.00 3.35 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 0.00 103 R 9.42 4.99 0.00 1.90 1.87 0.00 3.06 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 104 V 8.93 5.12 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 0.71 0.00 0.00 1.04 0.00 0.00 105 S 8.74 5.17 0.00 3.93 3.66 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 0.00 106 A 9.25 5.39 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 0.00 107 H 9.01 5.35 0.00 3.31 3.35 0.00 5.23 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.56 5.19 0.00 2.71 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 0.00 109 G 8.71 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 0.00 110 V 7.94 4.16 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 0.87 0.00 0.00 0.93 0.00 0.00 111 D 8.89 4.98 0.00 2.68 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 0.00 112 E 8.83 4.39 0.00 1.93 1.89 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 2.32 2.40 0.00 113 I 8.88 4.44 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.20 1.03 0.00 0.00 114 G 7.97 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.03 5.08 0.00 4.01 4.11 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 0.00 0.00 0.00 116 G 7.72 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 0.00 0.00 0.00 0.00 117 T 8.58 5.32 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 1.25 0.00 0.00 118 H 9.56 5.44 0.00 3.21 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.12 5.34 0.00 1.99 1.80 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 2.22 2.31 0.00 120 R 9.20 5.19 0.00 1.85 1.89 0.00 3.02 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 121 A 8.78 5.20 1.18 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 0.00 0.00 0.00 122 V 8.93 4.33 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 0.85 0.00 0.00 1.00 0.00 0.00 123 I 8.69 4.69 1.79 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.88 0.73 0.00 0.00 124 H 8.72 4.82 0.00 3.22 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.76 4.09 0.00 1.81 1.74 0.91 0.80 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 0.00 126 E 8.17 4.16 0.00 2.12 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 2.43 2.49 0.00 127 K 8.31 4.03 0.00 2.09 1.91 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.63 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.19 7.81 128 F 8.52 4.21 0.00 3.18 3.25 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 0.00 129 N 8.47 4.19 0.00 2.82 2.85 0.00 0.00 6.92 6.55 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 0.00 130 A 7.72 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 0.00 131 K 7.81 3.97 0.00 1.80 1.69 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.58 7.81 132 V 7.48 3.38 1.94 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 0.92 0.00 0.00 0.20 0.00 0.00 133 R 8.01 3.90 0.00 2.00 1.93 0.00 3.17 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 134 Q 7.59 4.12 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 135 K 7.36 4.51 0.00 1.80 1.83 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.28 7.81 136 T 7.56 4.09 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 1.22 0.00 0.00 137 P 0.00 4.40 0.00 2.06 1.99 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.