NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6681 0.0000 0.0000 62.4334 33.5497 174.6129 2 I 4.9990 8.5402 123.9007 58.3162 38.8150 173.6290 3 M 4.9205 9.8151 124.5531 53.5746 35.7196 173.5355 4 L 4.9187 8.4241 119.9701 54.2108 43.0319 176.8015 5 R 4.4286 8.8974 122.9213 55.4343 33.4615 175.6015 6 G 4.0862 9.8867 111.3131 46.5035 0.0000 174.5349 7 G 3.9738 8.6804 108.4214 44.4334 0.0000 174.0038 8 R 4.7830 7.3864 115.4495 53.9360 32.9607 175.2685 9 Q 4.6680 8.5842 119.3152 56.2120 29.3742 175.5491 10 E 4.8687 9.6050 122.6121 54.7068 34.1564 173.8361 11 Y 5.2733 8.5577 122.5968 55.8897 41.6418 174.1277 12 E 4.4305 7.6829 122.7438 53.5688 32.8601 173.6684 13 P 4.2718 0.0000 0.0000 61.3423 32.1895 176.5015 14 V 3.4403 7.9461 119.9357 63.1463 32.0904 176.4340 15 G 4.0869 8.2244 112.6117 42.7532 0.0000 173.0782 16 P 4.4528 0.0000 0.0000 65.1405 31.2810 179.4411 17 G 3.6204 8.0372 104.3691 47.7454 0.0000 175.4021 18 L 4.1141 7.9069 122.7232 57.7507 42.1504 178.7126 19 I 3.8630 8.0092 119.5906 64.5467 37.1404 178.1202 20 A 4.0218 8.6188 121.5532 55.1894 18.2108 179.5863 21 A 4.0184 8.2821 119.1739 55.0179 18.5521 179.5663 22 W 4.2936 8.8744 127.3492 60.7799 30.7330 178.0597 23 L 3.7153 8.3183 119.0764 57.6906 40.9999 179.6687 24 K 3.8199 8.0388 118.2848 59.3620 31.9888 179.0257 25 Q 3.7228 7.7540 119.6818 59.1755 28.8039 178.7341 26 V 3.1678 6.9688 119.0279 65.7008 31.2260 177.8004 27 Q 3.7773 7.8041 118.6389 59.1978 29.0254 177.5110 28 E 3.9603 8.1765 119.3085 58.3905 29.7188 176.7303 29 H 4.6438 8.2197 113.0081 54.1906 31.0328 174.4907 30 G 3.9487 8.0083 107.3353 44.9956 0.0000 174.4359 31 L 3.8690 8.6204 124.3366 57.4693 42.3464 177.8908 32 T 4.5260 7.6718 105.8265 61.3324 69.4181 173.2705 33 H 4.2986 7.7821 120.9447 55.9666 31.7002 173.9654 34 P 4.2647 0.0000 0.0000 66.0423 31.2282 178.9023 35 A 4.1587 8.3166 118.7395 55.3130 18.2777 179.7012 36 T 3.9966 7.8795 114.1542 66.7209 68.5475 176.9392 37 I 3.9212 8.0519 121.8546 64.7690 37.1035 178.5618 38 T 3.9281 8.0747 116.6220 66.7628 68.2957 175.9905 39 Y 4.0111 8.3312 121.4519 60.7320 38.8878 177.8760 40 F 4.1153 9.2497 122.1802 61.2462 39.2389 177.1446 41 G 3.5698 8.1698 104.3660 47.7822 0.0000 175.5125 42 V 3.5833 7.8226 120.9575 65.6449 31.4148 178.1295 43 I 3.6008 7.2336 110.9840 62.6799 37.8439 177.0967 44 S 2.7900 6.8333 114.9900 56.3572 63.1097 173.8565 45 I 3.6475 6.1410 116.6036 62.5507 37.6503 175.6019 46 N 4.3493 8.9211 119.6971 53.9712 35.9734 173.8422 47 F 4.8511 8.1668 117.3917 57.4554 39.6873 176.3211 48 T 4.3665 8.8839 115.7181 61.1201 71.1512 176.1928 49 S 4.4169 8.4313 116.6454 61.6998 62.7375 177.1213 50 V 3.5945 7.6297 120.6240 65.9599 31.4425 177.6537 51 D 4.2248 8.1346 118.6618 57.4139 40.6252 178.7951 52 I 3.9687 8.0907 120.3254 64.6913 37.1002 178.3329 53 N 4.5325 8.5486 117.2439 56.1523 38.3946 177.1947 54 M 4.0406 8.0813 119.9114 58.7261 32.1408 178.3206 55 L 4.0882 7.6542 117.3941 57.7095 42.0807 179.2272 56 L 4.2684 8.1139 118.9084 58.1010 41.4253 179.4547 57 N 4.5097 8.5319 115.5772 55.7477 38.5453 177.1243 58 V 4.0905 7.6631 118.4287 61.9623 32.0879 176.1555 59 T 4.3914 7.3804 118.0037 61.8855 69.4537 173.8172 60 P 4.6483 0.0000 0.0000 62.2636 31.5979 174.2757 *64 A 4.4634 8.0441 119.3511 51.8617 19.9257 178.6399 65 E 3.9670 9.0213 119.0013 61.8931 29.3507 178.2828 66 K 3.9396 7.9857 120.2456 59.2043 32.2448 178.4095 67 Q 4.0036 8.0365 119.4189 59.1028 29.0254 177.9877 68 L 3.9816 7.9947 120.2080 57.6232 41.6154 179.7038 69 V 3.5576 7.7786 118.1475 66.0874 31.5428 178.1633 70 I 3.7632 7.8619 119.5505 64.5115 36.9105 178.0762 71 D 4.3990 8.4616 120.0547 57.4192 40.6317 179.1241 72 K 3.9873 8.1109 118.9539 59.3815 32.0077 179.4666 73 I 3.7046 7.8344 120.1632 64.3959 36.9799 178.6216 74 K 3.9976 8.2092 119.2629 59.4551 31.8422 179.2538 75 E 3.9134 8.0611 118.9248 59.3389 29.2713 179.5866 76 K 3.6755 7.8474 118.3140 59.0150 31.9526 179.2779 77 A 3.8665 7.6500 121.0833 55.1391 18.4012 179.7329 78 I 3.6691 7.9406 118.1949 64.4643 37.3220 178.4959 79 A 3.9732 8.0319 121.5477 54.8259 18.2019 179.2896 80 W 4.2266 8.4802 127.1804 61.0939 30.6265 178.0310 81 D 4.5074 8.2584 117.1564 57.1615 40.2702 178.0817 82 E 4.0452 7.9353 119.2957 59.4344 29.7437 178.3811 83 M 4.2036 7.6503 116.7731 56.4345 33.2843 176.4027 84 H 4.6410 7.3013 115.4458 52.2483 29.2204 170.9299 85 P 4.3361 0.0000 0.0000 61.4898 32.1555 174.8319 86 P 4.2767 0.0000 0.0000 62.1546 31.6489 174.7999 87 P 4.3507 0.0000 0.0000 61.8843 31.5951 174.0803 88 P 4.0915 0.0000 0.0000 63.1491 31.6157 176.1465 89 A 3.7535 8.6352 131.3011 52.1591 18.8458 175.6105 *91 A 4.0844 7.6291 122.7297 52.0953 20.1443 176.7592 92 A 4.0759 8.3285 120.9688 52.3908 18.7910 177.9340 93 G 3.9112 8.2011 109.8791 43.7251 0.0000 171.5367 94 P 4.2923 0.0000 0.0000 62.4319 31.6732 177.6669 95 V 3.8318 8.2121 121.3494 59.6613 31.9640 171.1953 96 P 4.5762 0.0000 0.0000 61.5462 31.9331 175.7721 97 L 4.9637 8.2749 120.3143 53.1776 44.4439 177.0829 98 T 4.6290 8.8309 112.1644 61.2072 71.1173 176.0859 99 S 4.2744 9.3399 116.9842 61.6576 62.9378 176.3666 100 D 4.3379 8.2027 122.0556 57.3605 40.6316 178.6155 101 Q 3.9767 8.0516 118.2163 59.0877 28.5455 178.8174 102 I 3.4740 7.4862 119.5088 64.3034 37.1668 178.0785 103 R 2.6555 7.7388 116.1970 55.7688 30.2569 177.4252 104 G 3.5944 7.5629 107.5663 45.7320 0.0000 173.3185 105 I 3.8542 7.5118 121.1083 62.0790 37.2121 176.7689 106 G 3.8794 8.8067 112.8597 45.6032 0.0000 172.8956 107 L 4.4748 7.2581 119.3868 53.2826 42.9363 177.5982 108 S 4.3538 8.6375 118.1189 57.4151 64.9581 173.8082 109 P 4.1101 0.0000 0.0000 66.2278 31.4342 179.2385 110 E 3.8556 7.8783 116.5735 61.0388 29.7676 180.8514 111 E 4.1418 7.9958 119.7907 59.2988 29.3689 179.4770 112 A 3.5879 7.6748 118.5830 53.9747 18.4389 178.4441 113 A 4.3602 7.2425 117.2926 51.4932 19.5957 177.7590 114 G 3.8892 7.4685 107.7119 43.9474 0.0000 173.4115 115 P 4.2648 0.0000 0.0000 65.3368 31.3780 178.6507 116 R 3.6646 7.9755 118.2830 58.4490 30.0654 176.7422 117 F 4.7488 8.1216 114.3596 57.0542 39.8489 177.0902 118 A 3.9850 7.9856 125.4515 55.5077 18.0710 180.1128 119 D 4.2498 8.0355 115.8288 57.2316 41.2914 177.9756 120 A 3.8008 7.9626 121.2200 55.0716 18.4152 179.6091 121 R 3.8974 8.3241 114.8450 59.7030 29.4564 179.3299 122 T 3.8151 7.4773 115.7921 66.2493 68.3630 176.4390 123 L 3.7201 7.8972 122.3768 58.1478 42.0449 178.3311 124 Y 3.7975 7.8780 119.8119 60.5708 38.6283 177.9544 125 R 3.8189 8.0878 119.6420 59.7095 30.0496 178.5974 126 T 3.9090 7.7304 115.3687 66.5061 68.3892 176.4937 127 W 4.4489 8.3751 121.0196 59.9216 29.0067 178.8224 128 V 3.4853 7.9613 118.0328 65.8987 30.9672 177.9515 129 L 4.0055 8.1341 118.8348 57.9839 41.4044 179.4486 130 E 3.9728 8.6598 118.4879 59.3294 29.1970 179.2435 131 A 3.9679 8.0760 119.8835 55.1251 18.6130 179.2683 132 L 4.0510 8.0394 117.5986 58.0830 41.8268 179.6282 133 Q 3.9824 8.0630 119.3641 59.2712 28.8279 178.0041 134 E 4.1400 8.4100 118.2128 58.4188 29.5897 177.8724 135 C 4.5164 7.3475 114.9150 58.4497 29.1190 173.6179 136 Q 4.2061 7.2981 122.4294 55.6327 29.3105 175.3618 137 R 4.4152 8.8379 124.8752 57.8269 32.7857 176.4045 138 T 4.2130 7.7966 112.7412 60.7484 69.2232 175.5116 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 P 0.00 4.67 0.00 1.97 2.19 0.00 3.39 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 2 I 8.54 5.00 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 1.00 0.00 0.00 3 M 9.82 4.92 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 4 L 8.42 4.92 0.00 1.55 1.64 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.90 4.43 0.00 1.86 1.76 0.00 3.39 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 6 G 9.89 4.09 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 0.00 0.00 0.00 7 G 8.68 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 8 R 7.39 4.78 0.00 1.84 2.02 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 9 Q 8.58 4.67 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 E 9.61 4.87 0.00 1.81 1.79 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 2.22 2.23 0.00 11 Y 8.56 5.27 0.00 3.05 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 12 E 7.68 4.43 0.00 1.73 1.63 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 1.93 1.98 0.00 13 P 0.00 4.27 0.00 1.98 2.00 0.00 3.56 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 14 V 7.95 3.44 1.97 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 0.78 0.00 0.00 0.41 0.00 0.00 15 G 8.22 4.09 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 0.00 0.00 0.00 16 P 0.00 4.45 0.00 2.19 2.13 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 17 G 8.04 3.62 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 18 L 7.91 4.11 0.00 1.85 1.89 1.05 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.01 3.86 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 1.03 0.00 0.00 20 A 8.62 4.02 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 21 A 8.28 4.02 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 22 W 8.87 4.29 0.00 3.53 3.45 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 23 L 8.32 3.72 0.00 1.86 1.65 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.04 3.82 0.00 1.93 1.79 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.53 7.81 25 Q 7.75 3.72 0.00 1.33 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 1.42 1.92 0.00 26 V 6.97 3.17 1.52 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 0.69 0.00 0.00 -0.40 0.00 0.00 27 Q 7.80 3.78 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 28 E 8.18 3.96 0.00 1.80 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 2.06 1.92 0.00 29 H 8.22 4.64 0.00 3.07 3.05 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.01 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 0.00 0.00 0.00 31 L 8.62 3.87 0.00 1.53 1.94 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.67 4.53 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 1.24 0.00 0.00 33 H 7.78 4.30 0.00 3.35 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.26 0.00 2.18 2.10 0.00 3.02 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 2.00 2.11 0.00 35 A 8.32 4.16 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 36 T 7.88 4.00 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 1.17 0.00 0.00 37 I 8.05 3.92 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.88 1.00 0.00 0.00 38 T 8.07 3.93 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 1.25 0.00 0.00 39 Y 8.33 4.01 0.00 3.37 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 40 F 9.25 4.12 0.00 3.29 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 41 G 8.17 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.82 3.58 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 0.84 0.00 0.00 0.90 0.00 0.00 43 I 7.23 3.60 1.62 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 1.51 -0.02 0.62 0.00 0.00 44 S 6.83 2.79 0.00 3.23 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 45 I 6.14 3.65 1.77 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 1.28 0.49 0.84 0.00 0.00 46 N 8.92 4.35 0.00 2.99 3.13 0.00 0.00 7.17 8.13 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 47 F 8.17 4.85 0.00 2.94 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 48 T 8.88 4.37 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 1.26 0.00 0.00 49 S 8.43 4.42 0.00 3.71 3.79 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 50 V 7.63 3.59 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 1.04 0.00 0.00 0.83 0.00 0.00 51 D 8.13 4.22 0.00 2.71 1.75 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 52 I 8.09 3.97 2.23 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.28 0.86 0.00 0.00 53 N 8.55 4.53 0.00 2.94 2.93 0.00 0.00 6.67 6.98 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 54 M 8.08 4.04 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 55 L 7.65 4.09 0.00 1.91 1.50 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.11 4.27 0.00 1.93 1.78 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.53 4.51 0.00 2.79 2.93 0.00 0.00 7.12 7.30 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 58 V 7.66 4.09 2.28 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 1.00 0.00 0.00 1.01 0.00 0.00 59 T 7.38 4.39 4.52 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 1.25 0.00 0.00 60 P 0.00 4.65 0.00 2.16 2.02 0.00 3.79 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 1.96 1.96 0.00 *64 A 8.04 4.46 1.01 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 65 E 9.02 3.97 0.00 2.20 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 2.35 2.35 0.00 66 K 7.99 3.94 0.00 1.86 1.86 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.54 1.54 7.81 67 Q 8.04 4.00 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 68 L 7.99 3.98 0.00 1.90 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.78 3.56 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 0.99 0.00 0.00 0.96 0.00 0.00 70 I 7.86 3.76 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.02 0.95 0.00 0.00 71 D 8.46 4.40 0.00 2.86 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 72 K 8.11 3.99 0.00 1.94 1.83 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.61 7.81 73 I 7.83 3.70 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 1.22 0.00 0.00 74 K 8.21 4.00 0.00 1.98 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.67 7.81 75 E 8.06 3.91 0.00 2.13 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 2.30 2.55 0.00 76 K 7.85 3.68 0.00 1.16 0.74 0.00 1.50 0.00 0.00 1.30 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.18 1.44 7.81 77 A 7.65 3.87 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 78 I 7.94 3.67 1.99 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 1.47 1.17 0.91 0.00 0.00 79 A 8.03 3.97 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 80 W 8.48 4.23 0.00 3.71 3.46 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 81 D 8.26 4.51 0.00 2.80 2.80 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 82 E 7.94 4.05 0.00 1.98 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 2.27 2.32 0.00 83 M 7.65 4.20 0.00 1.67 1.72 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 84 H 7.30 4.64 0.00 2.66 2.95 0.00 5.67 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 85 P 0.00 4.34 0.00 2.02 1.98 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 86 P 0.00 4.28 0.00 2.06 2.06 0.00 3.71 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 2.06 2.14 0.00 87 P 0.00 4.35 0.00 2.18 2.09 0.00 3.83 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 2.01 2.20 0.00 88 P 0.00 4.09 0.00 2.06 2.08 0.00 3.72 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 2.11 0.00 89 A 8.64 3.75 1.28 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 0.00 0.00 0.00 *91 A 7.63 4.08 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 92 A 8.33 4.08 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 93 G 8.20 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 P 0.00 4.29 0.00 2.03 1.97 0.00 3.67 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 2.05 0.00 95 V 8.21 3.83 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 0.93 0.00 0.00 96 P 0.00 4.58 0.00 2.11 2.10 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 97 L 8.27 4.96 0.00 1.63 1.63 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.83 4.63 4.38 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 1.34 0.00 0.00 99 S 9.34 4.27 0.00 4.43 4.66 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 0.00 100 D 8.20 4.34 0.00 2.75 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 0.00 101 Q 8.05 3.98 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 102 I 7.49 3.47 1.52 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 -0.22 0.00 0.00 103 R 7.74 2.66 0.00 1.76 1.67 0.00 3.45 0.00 0.00 3.30 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 104 G 7.56 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 0.00 105 I 7.51 3.85 1.92 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 1.19 0.49 0.89 0.00 0.00 106 G 8.81 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 0.00 107 L 7.26 4.47 0.00 1.48 1.30 -0.23 0.73 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 0.00 108 S 8.64 4.35 0.00 4.00 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 0.00 109 P 0.00 4.11 0.00 1.97 2.14 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 110 E 7.88 3.86 0.00 1.97 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 0.00 2.31 1.97 0.00 111 E 8.00 4.14 0.00 2.05 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 0.00 2.34 2.30 0.00 112 A 7.67 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.24 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.47 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 0.00 115 P 0.00 4.26 0.00 2.19 2.32 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 1.95 0.00 116 R 7.98 3.66 0.00 1.54 1.44 0.00 2.94 0.00 0.00 2.60 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.30 0.00 117 F 8.12 4.75 0.00 3.06 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 0.00 118 A 7.99 3.99 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 0.00 119 D 8.04 4.25 0.00 2.78 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 0.00 120 A 7.96 3.80 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 0.00 121 R 8.32 3.90 0.00 2.23 2.23 0.00 2.98 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.70 0.00 122 T 7.48 3.82 4.35 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 1.18 0.00 0.00 123 L 7.90 3.72 0.00 1.47 1.36 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 7.88 3.80 0.00 2.91 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 0.00 125 R 8.09 3.82 0.00 1.94 2.04 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 126 T 7.73 3.91 4.46 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 1.35 0.00 0.00 127 W 8.38 4.45 0.00 3.60 3.20 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 0.00 128 V 7.96 3.49 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 0.49 0.00 0.00 0.47 0.00 0.00 129 L 8.13 4.01 0.00 1.96 1.78 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.66 3.97 0.00 2.26 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 0.00 2.39 2.58 0.00 131 A 8.08 3.97 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 0.00 132 L 8.04 4.05 0.00 1.83 1.73 0.62 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.06 3.98 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 134 E 8.41 4.14 0.00 2.02 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 2.35 2.40 0.00 135 C 7.35 4.52 0.00 2.87 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 0.00 136 Q 7.30 4.21 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 137 R 8.84 4.42 0.00 1.78 1.90 0.00 3.37 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 138 T 7.80 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.