NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5838 8.2227 120.3149 52.9977 41.0424 175.3062 4 I 3.4969 8.1513 117.4671 64.0740 37.5006 176.4386 5 N 4.3416 8.9738 117.5160 56.1732 39.0753 176.4274 6 E 4.4156 8.3418 121.2546 59.0158 29.6494 179.0394 7 I 3.7964 7.7336 119.8868 64.8300 37.0568 178.0812 8 R 4.2263 7.9359 115.6993 57.6388 30.1691 177.8275 9 E 4.1033 8.7788 119.0828 57.6276 29.4675 177.3156 10 Y 4.2668 7.7187 114.7440 57.7730 39.7844 175.6628 11 L 4.9498 7.8033 119.3337 52.2664 43.8454 174.8405 12 P 4.5118 0.0000 0.0000 64.0931 32.1158 176.2769 13 H 4.1482 8.3909 116.1392 56.7856 29.1294 174.1469 14 R 4.7921 8.2342 120.0649 54.2169 34.3782 173.6565 15 Y 4.4837 8.6560 119.7064 57.9231 39.1423 174.1983 16 P 4.0850 0.0000 0.0000 62.6847 31.7301 175.4358 17 F 4.4558 8.9511 114.0575 58.1698 40.4951 175.0840 18 L 4.5441 8.1709 123.4015 53.8895 41.9482 175.9181 19 L 4.6237 8.7190 129.2147 54.2273 42.2048 177.2744 20 V 4.2194 7.5507 117.8604 61.4801 33.5439 174.1508 21 D 4.6112 8.4449 127.6479 55.9361 41.8514 176.9458 22 R 4.2674 7.0432 115.7418 55.1294 33.4911 173.6202 23 V 4.4546 8.2308 124.7633 61.5006 32.5044 175.4041 24 V 4.0460 8.5849 122.1574 63.4805 32.7160 176.6531 25 E 4.5712 8.6173 120.6713 54.4891 33.2686 174.4806 26 L 4.5916 8.4923 128.4909 52.9913 42.1299 175.4691 27 D 4.6903 8.5489 126.0077 52.7860 39.0650 176.2767 28 I 3.6466 7.7963 122.9858 63.7287 38.6812 175.5642 29 E 4.3898 8.1293 117.2941 58.6596 30.1167 178.1429 30 G 3.7595 8.6487 105.0139 44.6227 0.0000 172.9273 31 K 3.9408 8.0732 119.9991 56.8600 30.3844 174.2807 32 R 5.2595 7.6847 112.6293 55.0718 34.0048 174.8353 33 I 5.0152 9.0339 119.8653 59.4065 42.1466 173.9421 34 R 5.1207 9.1671 127.1933 54.4582 32.6815 174.7132 35 A 5.1544 9.1049 125.1161 50.7313 23.6567 173.7555 36 Y 5.3630 8.8715 116.7596 55.2587 42.4420 174.3599 37 K 4.8873 9.1269 120.3158 54.5973 35.2319 174.9507 38 N 4.8361 9.8262 126.5275 53.3147 39.5481 174.7724 39 V 4.6229 8.7225 123.7556 61.4529 33.3793 174.4619 40 S 5.0895 10.2441 123.3285 56.3026 65.0474 173.9697 41 I 3.5055 8.4540 124.1572 63.6109 38.1192 175.5936 42 N 4.7268 7.7641 118.7095 54.0822 38.6805 174.1835 43 E 4.7574 7.8308 115.7069 53.2732 32.5215 175.8998 44 P 4.1059 0.0000 0.0000 65.3601 31.8853 177.5996 45 F 4.4324 7.2056 113.5910 58.7943 38.7997 177.5429 46 F 4.4940 6.9882 120.6148 60.9297 38.3985 177.0641 47 N 4.4758 8.4402 114.3816 55.7215 38.3988 176.4012 48 G 4.1532 7.7565 103.5103 44.2247 0.0000 174.0394 49 H 3.8366 8.1879 120.6488 54.3821 30.7724 171.5421 50 F 5.0823 8.9410 121.5577 54.0730 43.4036 172.9774 51 P 4.5015 0.0000 0.0000 64.3613 31.3328 177.3001 52 E 4.0036 9.6169 121.2523 57.1238 28.1979 174.9492 53 H 4.9408 8.0222 115.7266 53.2034 30.1951 168.9343 54 P 4.9792 0.0000 0.0000 61.9080 31.8464 175.0092 55 I 4.6509 8.7930 128.5722 60.2125 42.4259 174.9616 *57 P 3.6744 0.0000 0.0000 63.1424 32.2473 177.1231 58 G 2.9035 8.2062 109.3808 47.8064 0.0000 176.5732 59 V 3.7011 7.6044 114.4014 64.2573 31.5112 178.4792 60 L 3.7411 7.2826 117.9349 57.3833 41.0996 179.4745 61 I 3.7292 7.5962 119.6954 64.0253 37.0634 178.1936 62 I 3.7336 7.5573 119.5728 64.3795 37.4084 177.1895 63 E 3.8113 8.2671 120.0586 59.3476 29.3658 179.1953 64 A 3.6707 7.6926 116.0968 53.1206 18.1853 178.6895 *66 A 3.9074 7.9043 124.7546 53.4483 20.7872 179.9941 67 Q 3.8613 7.8666 114.5263 59.0480 28.6640 179.0698 68 A 3.8631 7.7381 121.0701 54.6777 18.2873 179.5006 69 A 3.4012 7.4839 119.0033 54.9270 18.3570 179.5261 70 G 3.0760 7.7184 104.5123 47.9660 0.0000 175.4318 71 I 3.6841 7.3003 122.5029 63.8697 36.9360 177.9226 72 L 3.9192 7.3034 119.3217 58.4224 41.9868 178.8958 73 G 3.2837 7.5966 104.1828 47.5761 0.0000 175.2743 74 F 4.7344 7.5630 119.1047 60.1415 39.4132 180.0065 75 K 4.2138 7.8685 119.9556 55.7965 31.7342 178.0008 *77 L 4.1596 7.7407 115.4846 54.8228 43.4267 176.9897 78 D 4.3984 7.7047 115.7521 55.9049 39.9177 172.9157 79 V 4.5429 7.5575 111.3367 59.3411 35.2021 175.9612 80 K 4.3275 8.1256 119.2329 54.2516 33.7244 174.5114 81 P 3.8701 0.0000 0.0000 61.6383 32.2379 175.6232 82 A 4.4259 7.8774 119.3675 52.6996 21.1614 177.9658 *84 G 4.0802 8.0560 102.4866 46.5780 0.0000 173.6457 85 T 4.6549 7.8298 116.9921 63.2795 69.1832 173.4990 86 L 4.8457 9.2398 127.3623 54.0849 46.2700 174.7101 87 Y 4.5375 8.7830 123.4948 56.4976 37.2880 173.1974 88 Y 4.2329 8.7617 125.1032 57.4290 40.2557 174.5680 89 F 4.9617 8.6080 129.2528 58.8696 38.5905 174.5646 90 V 3.8350 8.6376 120.4241 61.7391 32.8657 176.2991 91 G 3.6566 7.1670 107.8170 46.0430 0.0000 171.2626 92 S 5.1467 8.0222 110.6314 58.1575 66.6061 173.3891 93 D 4.6420 8.8473 124.7465 54.2507 41.8035 179.4440 94 K 3.9593 9.3022 127.7666 57.6418 33.6068 175.9268 95 L 4.9097 8.3205 126.7596 53.7815 44.5852 175.1665 96 R 4.6607 9.0127 124.8715 54.5753 34.9416 174.2751 97 F 5.3410 8.6801 118.5574 56.0452 42.9755 175.4273 98 R 4.6581 9.0617 119.5707 56.3390 31.8495 179.8415 99 Q 4.2272 9.3681 121.9988 56.0285 29.5442 174.1354 100 P 4.5395 0.0000 0.0000 62.2168 32.5065 175.8451 101 V 4.0905 8.2017 120.3654 62.3790 32.4905 175.2035 102 L 4.9806 9.0302 126.3471 51.7386 44.8814 174.1536 103 P 4.5246 0.0000 0.0000 64.2284 31.4682 176.9752 104 G 4.0801 8.7925 111.1655 45.3332 0.0000 173.7237 105 D 4.5804 8.2189 119.7869 54.2106 42.4960 175.5494 106 Q 4.9397 8.3919 122.9365 53.6380 29.4216 173.0365 107 L 4.0602 8.5561 126.4197 55.2995 43.4196 175.3238 108 Q 4.8649 9.2354 126.7097 54.9362 30.6490 174.8589 109 L 5.1947 9.6897 124.1817 53.2642 44.9741 175.2427 110 H 5.5319 9.3413 119.6064 54.0558 33.0169 172.4456 111 A 5.1043 8.8752 123.0769 50.2460 22.8350 174.7137 112 K 5.0665 8.7909 122.9528 54.1620 35.4358 175.0867 113 F 3.9249 9.8231 131.4285 59.7386 39.4752 172.5822 114 I 3.7972 7.3953 126.5545 60.8704 37.8614 178.3048 115 S 4.5043 7.2476 126.5103 59.5412 66.8608 175.6377 116 V 4.9180 7.6026 117.3063 62.3409 31.8723 170.9606 117 K 4.2051 7.8037 129.5468 55.9060 32.8806 178.6458 118 R 3.9995 8.8957 130.0988 56.7184 26.6115 177.7715 119 S 4.7401 9.1526 126.1873 59.2963 64.2759 172.4034 120 I 4.7090 7.3789 120.3252 61.3076 38.5189 175.0133 121 W 5.2991 9.6744 124.6196 54.8973 33.6089 174.3907 122 K 5.2669 8.2595 121.4561 54.7207 35.3196 175.1265 123 F 5.1484 9.6091 122.4551 55.7374 43.8043 173.7386 124 D 4.7802 9.0833 122.1097 53.2065 42.4336 174.4870 125 C 5.3592 8.9957 124.5081 58.4042 31.1345 172.9809 126 H 5.3835 9.3186 118.6026 54.0575 32.8302 172.0985 127 A 5.4088 9.0074 124.6140 50.4327 21.7660 175.3656 128 T 5.0281 9.1475 111.4016 60.0711 72.9017 172.9503 129 V 4.4554 8.5268 123.9276 61.3493 33.6800 175.1944 130 D 4.3143 9.5686 129.1591 55.6718 38.3416 175.1929 131 D 4.9160 8.3559 120.0230 54.7109 41.0267 175.9684 132 K 4.1337 7.8494 119.6048 55.1976 32.4189 174.7603 133 P 4.6125 0.0000 0.0000 62.9877 31.9813 176.0626 134 V 4.4455 8.7208 119.9253 63.6477 34.5324 174.3688 135 C 5.2166 7.9116 118.3224 58.6778 35.2078 172.6854 136 S 4.9663 8.6601 116.3201 57.5218 66.2034 173.2575 137 A 5.3282 8.5934 122.7306 52.3376 22.8773 175.0549 138 E 4.7839 8.5394 121.0991 54.6466 30.6139 174.8380 139 I 4.3336 8.5467 128.3828 61.0860 38.9319 175.2122 140 I 5.2435 8.9228 126.3837 59.9538 40.0337 174.4661 141 C 5.6951 9.5229 123.9654 57.8875 32.6823 173.1438 142 A 5.1751 9.0847 122.9089 49.8770 21.2892 175.1544 143 E 3.7251 8.6930 124.3763 57.4757 30.3162 175.8794 144 R 4.7779 9.3116 127.2764 54.5038 34.7091 173.5384 145 K 4.9803 8.3156 118.2606 54.1716 35.2371 176.9072 146 L 4.1845 8.4986 124.6501 55.1733 41.2257 177.4503 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 8.22 4.58 0.00 2.91 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 4 I 8.15 3.50 1.85 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 1.63 1.19 0.90 0.00 0.00 5 N 8.97 4.34 0.00 2.87 2.85 0.00 0.00 6.93 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 6 E 8.34 4.42 0.00 2.11 2.10 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 2.35 2.46 0.00 7 I 7.73 3.80 2.09 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 1.52 0.82 0.92 0.00 0.00 8 R 7.94 4.23 0.00 1.91 1.98 0.00 3.18 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 9 E 8.78 4.10 0.00 1.85 1.53 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 2.16 2.43 0.00 10 Y 7.72 4.27 0.00 3.14 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 11 L 7.80 4.95 0.00 1.69 1.67 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.51 0.00 2.20 2.20 0.00 4.02 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 1.99 2.05 0.00 13 H 8.39 4.15 0.00 3.18 3.60 0.00 5.84 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 14 R 8.23 4.79 0.00 1.84 1.88 0.00 3.35 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.58 0.00 15 Y 8.66 4.48 0.00 2.92 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 16 P 0.00 4.08 0.00 1.80 0.94 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 17 F 8.95 4.46 0.00 2.84 3.09 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 18 L 8.17 4.54 0.00 1.65 1.65 0.98 1.02 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 19 L 8.72 4.62 0.00 1.45 1.49 0.39 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.55 4.22 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 0.73 0.00 0.00 0.82 0.00 0.00 21 D 8.44 4.61 0.00 2.43 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 22 R 7.04 4.27 0.00 1.39 0.66 0.00 3.24 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 23 V 8.23 4.45 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 0.83 0.00 0.00 0.85 0.00 0.00 24 V 8.58 4.05 2.15 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 0.93 0.00 0.00 1.03 0.00 0.00 25 E 8.62 4.57 0.00 2.02 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 2.21 2.26 0.00 26 L 8.49 4.59 0.00 1.56 1.53 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.55 4.69 0.00 2.74 2.70 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 28 I 7.80 3.65 1.88 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 1.70 0.80 0.92 0.00 0.00 29 E 8.13 4.39 0.00 2.24 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 0.00 2.33 2.37 0.00 30 G 8.65 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 31 K 8.07 3.94 0.00 2.07 2.03 0.00 1.46 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.55 7.81 32 R 7.68 5.26 0.00 2.02 2.04 0.00 2.75 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 33 I 9.03 5.02 1.85 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 1.59 0.99 0.00 0.00 34 R 9.17 5.12 0.00 1.74 1.77 0.00 3.25 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 1.60 1.59 0.00 35 A 9.10 5.15 1.13 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 0.00 0.00 36 Y 8.87 5.36 0.00 3.05 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 37 K 9.13 4.89 0.00 1.85 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.62 7.81 38 N 9.83 4.84 0.00 2.85 2.84 0.00 0.00 6.89 7.72 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 39 V 8.72 4.62 2.31 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 1.30 0.00 0.00 1.09 0.00 0.00 40 S 10.24 5.09 0.00 3.83 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 41 I 8.45 3.51 1.69 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.86 0.00 0.00 42 N 7.76 4.73 0.00 2.74 2.79 0.00 0.00 7.02 7.31 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 43 E 7.83 4.76 0.00 1.47 1.12 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 2.24 2.32 0.00 44 P 0.00 4.11 0.00 2.14 2.25 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 45 F 7.21 4.43 0.00 3.05 3.23 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 46 F 6.99 4.49 0.00 3.18 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 47 N 8.44 4.48 0.00 2.71 2.94 0.00 0.00 6.75 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 48 G 7.76 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 0.00 0.00 0.00 0.00 49 H 8.19 3.84 0.00 2.84 3.03 0.00 5.53 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 50 F 8.94 5.08 0.00 3.22 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 51 P 0.00 4.50 0.00 2.11 2.05 0.00 3.95 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 2.12 2.37 0.00 52 E 9.62 4.00 0.00 2.04 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 2.13 2.30 0.00 53 H 8.02 4.94 0.00 3.30 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.98 0.00 1.42 1.81 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 55 I 8.79 4.65 2.17 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 1.04 0.00 0.00 *57 P 0.00 3.67 0.00 1.54 1.55 0.00 2.22 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.10 0.00 58 G 8.21 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 0.00 0.00 0.00 59 V 7.60 3.70 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 0.86 0.00 0.00 0.83 0.00 0.00 60 L 7.28 3.74 0.00 1.47 1.24 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.60 3.73 2.22 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 1.49 0.61 0.98 0.00 0.00 62 I 7.56 3.73 2.06 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.74 0.00 0.00 63 E 8.27 3.81 0.00 1.95 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 1.94 2.20 0.00 64 A 7.69 3.67 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 *66 A 7.90 3.91 0.87 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 67 Q 7.87 3.86 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 1.99 2.41 0.00 68 A 7.74 3.86 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 69 A 7.48 3.40 0.16 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 70 G 7.72 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 0.00 0.00 0.00 71 I 7.30 3.68 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.66 0.00 0.00 72 L 7.30 3.92 0.00 1.58 1.86 0.95 1.31 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 73 G 7.60 3.28 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 0.00 74 F 7.56 4.73 0.00 3.23 3.13 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 75 K 7.87 4.21 0.00 1.70 1.77 0.00 1.33 0.00 0.00 0.63 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.41 7.81 *77 L 7.74 4.16 0.00 1.85 1.87 1.22 1.25 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 78 D 7.70 4.40 0.00 2.76 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 79 V 7.56 4.54 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 0.91 0.00 0.00 1.25 0.00 0.00 80 K 8.13 4.33 0.00 1.60 1.50 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.44 7.81 81 P 0.00 3.87 0.00 1.68 1.59 0.00 3.15 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.00 82 A 7.88 4.43 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 *84 G 8.06 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 0.00 0.00 0.00 85 T 7.83 4.65 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 1.41 0.00 0.00 86 L 9.24 4.85 0.00 1.79 1.52 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.78 4.54 0.00 2.72 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 88 Y 8.76 4.23 0.00 3.15 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 89 F 8.61 4.96 0.00 2.82 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 90 V 8.64 3.84 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 0.98 0.00 0.00 1.08 0.00 0.00 91 G 7.17 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 0.00 0.00 0.00 92 S 8.02 5.15 0.00 4.02 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 93 D 8.85 4.64 0.00 2.58 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 0.00 0.00 0.00 94 K 9.30 3.96 0.00 1.73 1.72 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.48 7.81 95 L 8.32 4.91 0.00 1.53 1.47 0.54 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 R 9.01 4.66 0.00 1.63 1.65 0.00 3.10 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 97 F 8.68 5.34 0.00 2.90 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 98 R 9.06 4.66 0.00 1.81 1.21 0.00 3.36 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 99 Q 9.37 4.23 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 100 P 0.00 4.54 0.00 2.26 2.12 0.00 3.79 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 2.02 1.99 0.00 101 V 8.20 4.09 2.14 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 0.91 0.00 0.00 0.99 0.00 0.00 102 L 9.03 4.98 0.00 1.71 1.53 0.95 0.87 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 0.00 103 P 0.00 4.52 0.00 1.83 1.66 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.00 104 G 8.79 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 0.00 0.00 0.00 105 D 8.22 4.58 0.00 2.86 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 0.00 106 Q 8.39 4.94 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.98 0.00 0.00 0.00 0.00 0.00 1.95 2.31 0.00 107 L 8.56 4.06 0.00 1.83 1.76 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 9.24 4.86 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 109 L 9.69 5.19 0.00 1.41 1.48 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 110 H 9.34 5.53 0.00 3.23 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.88 5.10 1.19 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 0.00 112 K 8.79 5.07 0.00 1.92 1.69 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 113 F 9.82 3.92 0.00 3.02 3.04 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 0.00 114 I 7.40 3.80 1.62 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 1.22 0.89 0.70 0.00 0.00 115 S 7.25 4.50 0.00 3.60 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 0.00 116 V 7.60 4.92 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 0.61 0.00 0.00 0.21 0.00 0.00 117 K 7.80 4.21 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.35 7.81 118 R 8.90 4.00 0.00 2.03 1.70 0.00 3.43 0.00 0.00 3.16 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 119 S 9.15 4.74 0.00 3.92 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 0.00 120 I 7.38 4.71 1.92 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 1.42 1.02 1.02 0.00 0.00 121 W 9.67 5.30 0.00 3.59 3.23 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 0.00 122 K 8.26 5.27 0.00 1.42 1.56 0.00 1.50 0.00 0.00 1.96 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.36 7.81 123 F 9.61 5.15 0.00 2.92 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 0.00 124 D 9.08 4.78 0.00 2.75 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 0.00 125 C 9.00 5.36 0.00 2.82 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 0.00 126 H 9.32 5.38 0.00 3.08 3.14 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 9.01 5.41 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 0.00 128 T 9.15 5.03 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 1.25 0.00 0.00 129 V 8.53 4.46 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 0.92 0.00 0.00 0.97 0.00 0.00 130 D 9.57 4.31 0.00 2.89 2.69 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 0.00 0.00 0.00 0.00 131 D 8.36 4.92 0.00 2.83 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 0.00 132 K 7.85 4.13 0.00 1.91 1.76 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.53 7.81 133 P 0.00 4.61 0.00 2.20 2.07 0.00 3.71 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 2.00 1.96 0.00 134 V 8.72 4.45 2.15 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 1.18 0.00 0.00 1.01 0.00 0.00 135 C 7.91 5.22 0.00 3.19 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 0.00 136 S 8.66 4.97 0.00 3.74 3.86 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 0.00 137 A 8.59 5.33 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 0.00 138 E 8.54 4.78 0.00 2.04 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 2.31 2.44 0.00 139 I 8.55 4.33 1.97 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 1.22 0.55 0.96 0.00 0.00 140 I 8.92 5.24 1.99 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 1.30 0.86 1.06 0.00 0.00 141 C 9.52 5.70 0.00 3.28 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 0.00 142 A 9.08 5.18 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 0.00 143 E 8.69 3.73 0.00 1.49 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 2.17 1.66 0.00 144 R 9.31 4.78 0.00 2.03 1.70 0.00 3.03 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 1.36 1.56 0.00 145 K 8.32 4.98 0.00 1.60 1.66 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.44 7.81 146 L 8.50 4.18 0.00 1.54 1.59 0.94 0.83 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 * Residues marked with a * may have inaccurate shift predictions.