NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.6717 0.0000 0.0000 62.5468 33.6333 174.6467 12 V 4.8393 8.9194 114.3367 59.3113 35.8971 173.1370 13 L 5.1751 9.8551 123.3890 53.2020 45.2738 175.7326 14 L 4.9551 8.7204 121.6731 53.1824 44.1891 174.9893 15 K 4.8153 8.8312 126.2642 54.1508 34.9158 175.1270 16 S 4.0367 8.8336 123.7765 58.2464 62.6208 174.9996 17 T 3.8050 8.3297 118.4344 64.6039 68.6558 175.7631 18 E 3.9832 7.6979 122.2217 58.2562 29.5084 177.1116 19 T 4.3366 7.5711 105.7437 60.2549 70.0303 174.9444 20 G 4.0429 8.0027 109.7726 46.3156 0.0000 173.4895 21 Q 4.4464 7.1688 118.6023 55.1804 30.5237 174.5413 22 Y 4.9389 9.0653 121.1314 56.4505 40.1049 175.0005 23 L 4.7084 9.0809 126.3330 55.3856 43.7526 175.6457 24 R 4.9275 9.2616 125.4667 54.7649 33.6287 173.5249 25 I 4.8308 7.8901 126.4396 59.8044 38.5312 175.6141 26 N 4.6028 8.9932 125.2688 51.7110 39.4496 174.7512 27 P 4.2155 0.0000 0.0000 65.5547 31.4763 177.2376 28 D 4.5187 7.9948 115.1673 53.5427 39.7236 177.1161 29 G 4.2621 8.5567 110.5138 45.1346 0.0000 173.8622 30 T 4.4624 8.2239 110.4942 61.5358 70.4276 173.7455 31 V 4.9904 8.2552 122.3684 61.4655 34.3712 174.1305 32 D 4.8202 9.0456 126.0821 52.6244 43.0679 173.7568 33 G 4.5882 8.8178 105.3241 45.2196 0.0000 172.8442 34 T 4.9039 8.8644 115.1680 60.7408 71.2041 174.4049 35 R 4.5587 8.6955 123.8686 56.1858 30.9603 176.7466 36 D 4.5519 8.1404 119.5114 53.5448 39.6480 176.4240 37 R 3.8469 8.3715 125.7315 57.4269 30.3610 177.0828 38 S 4.4097 8.1146 110.7985 59.3573 63.7787 174.0202 39 D 4.5464 7.6998 121.5550 53.7737 41.5226 176.1051 40 Q 4.0191 8.4554 125.7294 58.8027 29.6083 176.5877 41 H 4.2971 8.4872 114.4600 57.2070 28.7284 176.3353 42 I 4.5423 7.3488 111.4146 60.5800 38.4127 175.4808 43 Q 4.5554 7.5743 121.8060 55.6047 30.1012 174.8126 44 F 5.2606 9.3894 122.0363 55.6203 43.4204 173.6212 45 Q 4.9366 9.3682 122.4892 54.5096 31.4697 174.1809 46 I 4.9507 8.4397 127.2599 60.0489 38.6049 175.1796 47 S 4.8511 8.7420 121.3497 55.6018 66.3852 171.8814 48 P 4.7748 0.0000 0.0000 62.7570 32.0526 175.4715 49 E 4.2817 8.9684 125.4438 54.5654 30.6636 176.6763 50 G 3.6344 8.8236 119.7839 46.7712 0.0000 171.7570 51 G 4.0617 8.6166 111.4250 44.9612 0.0000 171.3861 52 G 4.2610 9.2085 114.1069 45.3715 0.0000 173.5517 53 E 4.8958 7.8870 118.0218 54.5032 32.8160 175.2032 54 V 5.0532 8.9194 113.5813 59.8842 36.5260 174.7611 55 L 5.2994 9.0082 122.0014 53.3083 44.7562 176.0663 56 L 4.7166 8.7155 121.6227 53.2136 44.0181 174.8849 57 K 4.8942 8.9516 126.2485 54.0305 35.0173 175.2000 58 S 3.9589 9.0234 123.3381 58.5830 62.5743 174.8980 59 T 3.8597 8.2968 118.7296 64.7405 68.5866 175.8650 60 E 4.1202 8.1327 120.3285 57.6215 29.9330 177.0465 61 T 4.2931 7.6276 106.6936 60.3708 70.3712 175.4418 62 G 3.7487 8.0722 109.5812 45.5078 0.0000 173.4174 63 Q 4.3811 7.4729 118.9072 55.4925 30.4547 174.6003 64 Y 5.0569 9.0064 120.7565 56.5301 40.1640 174.9292 65 L 4.6066 9.0721 126.1957 55.2741 43.7250 175.5985 66 R 4.9883 9.1782 125.6857 54.7234 33.5148 173.6139 67 I 4.7247 8.1455 126.9863 59.7711 38.4708 175.6696 68 N 4.6138 9.1547 125.5741 51.7683 39.4320 174.6104 69 P 4.1964 0.0000 0.0000 65.8516 31.4202 177.3315 70 D 4.4970 7.9741 114.5214 53.7356 39.7304 177.0377 71 G 4.1817 8.5183 110.5430 45.0497 0.0000 173.7988 72 T 4.4954 8.1939 110.4466 61.5072 70.4802 173.7780 73 V 5.0634 8.2613 122.2560 61.4275 34.4700 174.0742 74 D 4.8174 9.0477 126.1580 52.4822 43.3169 173.7544 75 G 4.6496 8.8123 105.3975 45.1154 0.0000 172.9773 76 T 4.8755 8.8976 115.4369 60.5352 71.2815 174.3039 76A R 4.5587 8.6256 124.1460 55.9805 30.8709 176.3361 77 D 4.5444 8.1639 119.7238 53.5230 39.9172 176.7317 78 R 3.8805 8.4703 127.5261 58.2702 30.3212 177.3225 79 S 4.3715 8.2588 110.8848 59.0094 63.6599 174.1189 80 D 4.3933 7.7823 121.9339 54.9184 41.2888 175.6996 81 Q 4.3499 8.6348 123.4705 56.4853 29.2660 175.6727 82 H 4.6973 8.9742 115.8438 55.5096 29.0917 175.0038 83 I 4.8663 7.4915 110.9843 60.1721 38.6471 175.0659 84 Q 4.6777 7.5738 123.2341 55.0954 30.3965 174.6411 85 F 5.3060 9.4322 122.2246 55.7091 43.4439 173.9027 86 Q 4.9744 9.1955 120.3609 54.2999 31.5216 174.6821 87 I 4.9378 8.4498 124.7716 60.0666 38.5243 175.1157 88 S 4.8666 8.6824 122.2066 55.5876 65.5164 172.2203 89 P 4.7551 0.0000 0.0000 63.0064 31.4299 176.0415 90 E 4.4790 9.1643 119.5708 55.0671 31.7623 176.8559 91 G 3.7799 8.0775 106.7161 47.4688 0.0000 173.5081 92 G 3.7553 8.5864 111.3661 45.5034 0.0000 174.1888 93 G 3.9108 8.1511 105.2321 45.2581 0.0000 173.5603 94 E 4.8622 7.7127 118.9418 55.1512 31.7043 175.5160 95 V 5.0365 8.8540 115.4072 59.7471 36.4340 174.5053 96 L 5.2426 8.9164 122.2730 53.3823 44.6330 176.0447 97 L 4.7351 8.6817 121.7338 53.1972 43.8015 174.7442 98 K 4.8164 8.8738 126.2451 54.3727 34.6007 175.0380 99 S 4.1422 8.9491 123.7132 57.8534 62.5882 174.7277 100 T 3.6746 8.2448 118.8715 64.8960 68.4497 175.5885 101 E 3.9418 7.5341 119.8212 58.2470 29.6748 177.1716 102 T 4.3100 7.5277 104.9795 60.3718 70.1841 174.7245 103 G 3.5866 8.1364 110.9545 46.3146 0.0000 172.8771 *107 Q 4.5113 7.4924 117.4545 55.8862 30.7873 173.7585 108 Y 4.9728 8.8924 120.8603 56.6060 40.0183 174.9152 109 L 4.5241 9.1013 126.4211 55.3726 43.6240 175.6091 110 R 5.0638 9.3407 126.0443 54.6768 33.5502 173.7319 111 I 4.8094 8.2345 127.0629 59.6352 38.6165 175.6706 112 N 4.4966 9.0734 125.5227 51.9243 39.2510 174.7398 113 P 4.1585 0.0000 0.0000 65.7375 31.4299 177.3587 114 D 4.4744 7.9519 114.7767 53.7858 39.6941 177.0718 115 G 4.1561 8.4934 110.5080 45.0640 0.0000 173.7858 116 T 4.4748 8.2515 110.5850 61.5478 70.4069 173.7356 117 V 5.0357 8.2364 122.2728 61.4790 34.4410 174.1086 118 D 4.8136 9.0510 125.9348 52.7187 43.2182 173.7185 119 G 4.6674 8.9244 105.1029 44.7459 0.0000 172.7701 *123 T 4.7053 8.1090 115.3296 62.0571 68.8398 174.2854 123A R 4.4749 8.6297 124.2117 56.1650 30.7417 176.4273 124 D 4.5931 8.2546 119.9325 53.1682 39.9896 176.7434 125 R 3.6821 8.5450 127.3909 57.9515 30.2799 177.0310 126 S 4.5082 8.0064 110.2048 58.2072 63.7686 173.8073 127 D 4.3703 7.7635 121.6575 55.1563 41.2797 175.7816 128 Q 4.4911 8.4328 122.7998 55.7371 29.1857 175.7065 129 H 4.7521 9.0776 115.5737 55.4479 29.3021 174.7042 130 I 4.8984 7.4971 110.8548 60.1049 38.2943 175.1114 131 Q 4.6044 7.6772 123.3737 55.3228 30.1452 174.7031 132 F 5.0091 9.4168 122.5057 55.6138 43.2972 173.7390 133 Q 4.8587 9.1763 122.9439 54.5495 31.2265 174.1583 134 I 5.0443 8.4413 127.4417 59.9575 38.7896 175.1561 135 S 4.7986 8.8064 121.6254 55.5220 66.1718 171.8054 136 P 4.5765 0.0000 0.0000 62.6083 31.7389 175.8780 137 E 4.1715 8.8654 125.1041 56.4742 29.1680 176.3391 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 11 P 0.00 4.67 0.00 2.08 2.10 0.00 3.49 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 1.98 2.11 0.00 12 V 8.92 4.84 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 0.77 0.00 0.00 1.06 0.00 0.00 13 L 9.86 5.18 0.00 1.73 1.78 0.75 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.72 4.96 0.00 1.38 1.37 -0.18 0.69 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 15 K 8.83 4.82 0.00 1.76 1.57 0.00 1.25 0.00 0.00 1.33 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.96 0.28 7.81 16 S 8.83 4.04 0.00 3.41 3.48 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 17 T 8.33 3.81 4.16 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 1.18 0.00 0.00 18 E 7.70 3.98 0.00 1.99 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 1.95 2.19 0.00 19 T 7.57 4.34 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 1.22 0.00 0.00 20 G 8.00 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 0.00 0.00 0.00 21 Q 7.17 4.45 0.00 1.79 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 22 Y 9.07 4.94 0.00 3.12 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 23 L 9.08 4.71 0.00 1.86 1.60 1.01 0.53 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 24 R 9.26 4.93 0.00 1.98 2.08 0.00 3.23 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 25 I 7.89 4.83 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.93 0.00 0.00 26 N 8.99 4.60 0.00 2.88 2.66 0.00 0.00 6.56 8.60 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 27 P 0.00 4.22 0.00 2.02 2.12 0.00 3.55 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 1.99 2.10 0.00 28 D 7.99 4.52 0.00 2.76 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 29 G 8.56 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 0.00 0.00 0.00 0.00 30 T 8.22 4.46 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 31 V 8.26 4.99 2.30 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 1.03 0.00 0.00 1.00 0.00 0.00 32 D 9.05 4.82 0.00 2.98 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 33 G 8.82 4.59 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 0.00 0.00 0.00 34 T 8.86 4.90 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 1.33 0.00 0.00 35 R 8.70 4.56 0.00 1.88 2.01 0.00 3.27 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 36 D 8.14 4.55 0.00 2.81 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 37 R 8.37 3.85 0.00 1.80 1.88 0.00 3.34 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.00 38 S 8.11 4.41 0.00 4.01 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 39 D 7.70 4.55 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.46 4.02 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 41 H 8.49 4.30 0.00 3.37 3.43 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.35 4.54 1.97 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.37 0.99 0.00 0.00 43 Q 7.57 4.56 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 44 F 9.39 5.26 0.00 3.08 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 45 Q 9.37 4.94 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 46 I 8.44 4.95 1.89 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 1.37 0.73 0.92 0.00 0.00 47 S 8.74 4.85 0.00 3.93 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 48 P 0.00 4.77 0.00 1.97 2.04 0.00 3.65 0.00 0.00 3.61 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 49 E 8.97 4.28 0.00 1.90 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 2.16 2.24 0.00 50 G 8.82 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 51 G 8.62 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 52 G 9.21 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 0.00 0.00 0.00 0.00 53 E 7.89 4.90 0.00 2.06 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 0.00 2.29 2.30 0.00 54 V 8.92 5.05 2.18 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 0.77 0.00 0.00 0.99 0.00 0.00 55 L 9.01 5.30 0.00 1.73 1.76 0.62 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.72 4.72 0.00 1.38 1.33 -0.23 0.63 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 57 K 8.95 4.89 0.00 1.86 1.60 0.00 1.22 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.95 0.21 7.81 58 S 9.02 3.96 0.00 3.54 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 59 T 8.30 3.86 4.16 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 1.13 0.00 0.00 60 E 8.13 4.12 0.00 1.81 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 2.15 2.15 0.00 61 T 7.63 4.29 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 1.20 0.00 0.00 62 G 8.07 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 63 Q 7.47 4.38 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 64 Y 9.01 5.06 0.00 3.13 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 65 L 9.07 4.61 0.00 1.89 1.62 1.03 0.32 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 66 R 9.18 4.99 0.00 2.00 2.09 0.00 3.16 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 67 I 8.15 4.72 1.82 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 1.38 0.93 0.94 0.00 0.00 68 N 9.15 4.61 0.00 2.93 2.68 0.00 0.00 6.56 7.58 0.00 0.00 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 P 0.00 4.20 0.00 2.01 2.13 0.00 3.57 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 1.97 2.11 0.00 70 D 7.97 4.50 0.00 2.77 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 71 G 8.52 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 0.00 0.00 0.00 0.00 72 T 8.19 4.50 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 1.23 0.00 0.00 73 V 8.26 5.06 2.30 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 0.99 0.00 0.00 0.98 0.00 0.00 74 D 9.05 4.82 0.00 2.96 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 75 G 8.81 4.65 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 0.00 0.00 0.00 76 T 8.90 4.88 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 1.34 0.00 0.00 76A R 8.63 4.56 0.00 1.87 1.98 0.00 3.26 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 77 D 8.16 4.54 0.00 2.81 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 78 R 8.47 3.88 0.00 1.84 1.95 0.00 2.91 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 79 S 8.26 4.37 0.00 4.00 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 80 D 7.78 4.39 0.00 2.77 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 81 Q 8.63 4.35 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 82 H 8.97 4.70 0.00 3.31 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.49 4.87 1.93 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.99 0.00 0.00 84 Q 7.57 4.68 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 85 F 9.43 5.31 0.00 2.96 2.88 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 86 Q 9.20 4.97 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 87 I 8.45 4.94 1.89 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 1.37 0.54 0.92 0.00 0.00 88 S 8.68 4.87 0.00 3.93 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 89 P 0.00 4.76 0.00 1.97 2.04 0.00 3.64 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 2.04 2.14 0.00 90 E 9.16 4.48 0.00 2.10 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 2.22 2.33 0.00 91 G 8.08 3.78 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 0.00 0.00 0.00 92 G 8.59 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 93 G 8.15 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 94 E 7.71 4.86 0.00 1.92 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 2.32 2.31 0.00 95 V 8.85 5.04 2.18 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 0.78 0.00 0.00 1.03 0.00 0.00 96 L 8.92 5.24 0.00 1.73 1.71 0.65 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.68 4.74 0.00 1.35 1.32 -0.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.87 4.82 0.00 1.92 1.63 0.00 1.27 0.00 0.00 1.44 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.00 0.31 7.81 99 S 8.95 4.14 0.00 3.36 3.48 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 0.00 100 T 8.24 3.67 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 1.16 0.00 0.00 101 E 7.53 3.94 0.00 1.89 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 1.80 2.12 0.00 102 T 7.53 4.31 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 1.21 0.00 0.00 103 G 8.14 3.59 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 0.00 0.00 0.00 *107 Q 7.49 4.51 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 108 Y 8.89 4.97 0.00 3.12 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 0.00 109 L 9.10 4.52 0.00 1.82 1.56 1.01 0.55 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 0.00 110 R 9.34 5.06 0.00 1.98 2.08 0.00 3.15 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 111 I 8.23 4.81 1.82 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.90 0.93 0.00 0.00 112 N 9.07 4.50 0.00 2.87 2.67 0.00 0.00 6.58 8.46 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 0.00 113 P 0.00 4.16 0.00 1.99 2.10 0.00 3.53 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 114 D 7.95 4.47 0.00 2.76 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 0.00 115 G 8.49 4.16 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 0.00 116 T 8.25 4.47 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 0.00 117 V 8.24 5.04 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 1.01 0.00 0.00 1.02 0.00 0.00 118 D 9.05 4.81 0.00 2.98 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 0.00 119 G 8.92 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 *123 T 8.11 4.71 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 1.40 0.00 0.00 123A R 8.63 4.47 0.00 1.88 1.99 0.00 3.26 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 124 D 8.25 4.59 0.00 2.81 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 0.00 125 R 8.54 3.68 0.00 1.85 1.90 0.00 3.34 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.09 0.00 126 S 8.01 4.51 0.00 3.98 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 0.00 127 D 7.76 4.37 0.00 2.76 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 0.00 128 Q 8.43 4.49 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 129 H 9.08 4.75 0.00 3.23 3.39 0.00 5.58 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.50 4.90 1.99 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.99 0.00 0.00 131 Q 7.68 4.60 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 132 F 9.42 5.01 0.00 2.85 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 0.00 133 Q 9.18 4.86 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 134 I 8.44 5.04 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.92 0.00 0.00 135 S 8.81 4.80 0.00 3.91 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 0.00 136 P 0.00 4.58 0.00 1.97 2.06 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 137 E 8.87 4.17 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.