NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 M 4.4531 8.3049 120.3507 55.4581 32.4581 174.0548 10 N 5.1052 8.1933 122.4518 49.6484 42.9809 171.4829 11 Y 5.4948 7.4322 117.7519 55.8579 42.1796 173.6151 12 E 4.9046 9.4724 117.4513 54.5464 33.3259 174.2938 13 E 4.1813 9.2219 124.0682 56.7921 29.9358 176.0015 14 V 4.5198 8.2348 119.4899 62.6325 34.3536 175.3732 15 F 4.8725 7.1279 112.4883 56.5703 40.8490 172.7128 16 S 5.3260 9.7771 115.0279 56.8506 67.1119 173.5215 17 I 5.2283 8.9049 122.0026 60.0295 41.0832 174.5708 18 T 4.8992 8.9307 123.3961 62.1026 70.6121 173.3583 19 I 4.8176 8.8751 128.1603 59.7701 40.2480 174.8155 20 T 5.0308 8.7846 123.0783 62.0678 70.4123 174.1668 21 V 4.7514 8.3755 119.4577 59.5950 34.7574 175.2343 22 D 4.7418 8.9964 123.6134 52.9618 42.8451 176.0224 23 K 4.2347 8.4047 118.7739 55.5196 32.6432 175.4216 24 P 4.5615 0.0000 0.0000 62.6749 32.3760 176.3323 25 I 4.0960 9.0578 125.5749 60.3929 37.9806 174.8904 26 L 4.2890 8.4824 130.3867 55.3144 42.1915 175.8338 27 I 4.1377 8.4938 127.8164 61.7031 38.0290 176.1256 28 G 4.0411 7.5819 105.6898 46.6137 0.0000 170.7686 29 Q 5.7359 8.8373 118.9552 56.1088 32.0562 172.7870 30 D 4.7125 8.3746 123.7157 52.6906 42.9485 174.8852 31 D 4.8559 8.6605 116.2054 53.6188 39.6516 176.4000 32 I 4.2578 7.8738 118.8545 63.4537 38.7911 177.2990 33 V 3.8129 8.3745 112.6679 62.1922 32.4255 175.9955 34 G 3.7299 8.0091 104.5803 43.6779 0.0000 171.1111 35 R 4.7816 8.6582 121.2157 54.7651 32.0043 176.2652 36 R 5.1763 8.9093 128.4491 55.1489 31.8995 175.0302 37 Q 5.0757 9.2780 123.3092 54.9473 32.8514 173.0841 38 L 5.0786 8.8028 120.6479 53.2333 44.4586 175.5992 39 I 4.6183 8.7365 125.3789 58.7110 39.2239 173.1720 40 P 4.7677 0.0000 0.0000 62.5508 32.5069 175.8184 41 I 4.2207 8.1175 126.0688 60.7636 37.0865 176.0945 42 I 4.0338 8.7562 129.5971 63.8820 37.4463 176.3484 43 S 4.5402 7.4479 113.8586 57.8866 66.2265 173.2889 44 G 4.2571 7.9897 103.4311 45.4545 0.0000 172.2630 45 K 4.8481 8.7004 124.7244 54.3731 34.5640 174.9786 46 V 4.8690 8.5869 128.6103 62.0995 33.0823 174.8399 47 S 5.3065 9.5064 121.6124 56.6059 67.0457 173.3902 48 G 4.4743 8.4295 110.2259 46.1559 0.0000 171.6201 49 N 4.7882 8.7035 118.2983 54.1242 38.6671 174.8325 50 N 4.2680 8.9350 122.2518 53.9425 37.7863 174.7906 51 F 4.6770 7.8845 114.9967 56.7809 41.0458 172.1238 52 N 5.3685 8.2357 120.5822 50.3431 43.1753 175.0282 53 G 4.1787 7.5316 107.6942 46.0698 0.0000 171.3600 54 K 5.1465 7.6412 119.3115 55.0213 36.7679 176.0654 55 V 4.3094 8.4693 121.6135 62.7923 32.0512 175.9221 56 L 4.5305 8.7778 128.0692 53.0636 42.9336 174.9052 57 P 4.3153 0.0000 0.0000 63.6671 31.7356 177.0518 58 G 3.9917 8.9304 107.7233 45.0595 0.0000 173.7072 59 G 4.0030 7.8882 107.7214 46.0849 0.0000 173.2500 60 I 5.1784 8.6710 124.3772 59.7388 42.2503 173.4675 61 D 5.1270 9.3519 127.3050 52.9586 42.8822 174.9363 62 S 5.0474 9.0399 122.5163 57.3938 63.7844 172.7264 63 Q 5.2254 9.2652 126.5557 54.0439 32.5880 174.4298 64 I 4.9448 8.5139 122.6094 59.2384 41.3608 174.1076 65 V 4.5248 8.5269 130.2361 61.7546 32.4320 176.0749 66 R 4.4790 9.3603 128.0728 55.1406 30.7425 176.1230 67 P 4.2216 0.0000 0.0000 65.7866 31.3139 177.5932 68 D 4.4644 7.9765 114.8827 54.0908 39.4914 176.8638 69 G 3.9927 8.2158 109.5886 45.0172 0.0000 174.0948 70 K 4.1188 8.6097 122.3916 56.6925 33.5404 174.9858 71 C 5.0605 8.9397 127.4440 57.8378 33.8094 171.8641 72 E 5.0798 9.2455 126.3357 54.6620 31.6148 174.9549 73 L 5.2502 8.9355 124.3341 53.0556 45.6804 176.0580 74 S 4.8293 9.1835 116.9819 57.2218 65.2428 172.1746 75 A 5.3112 9.2209 130.1248 50.3233 21.9861 175.5434 76 R 5.0079 8.7643 119.8677 54.7571 33.5237 174.4043 77 Y 5.3194 8.1236 120.8280 56.3107 42.0711 173.0361 78 A 5.3919 8.8286 120.2099 50.1164 23.0392 174.9515 79 I 5.0361 8.9546 112.9022 59.0181 41.6409 174.3542 80 R 4.8842 8.6981 123.3788 54.5556 32.8078 175.3841 81 L 4.4717 8.8173 127.0598 53.7864 42.5076 177.7590 82 D 4.3241 8.4370 120.0781 55.9915 39.3942 177.0690 83 D 4.5215 7.9787 117.7702 53.3860 39.4362 177.2470 84 G 3.8634 8.1681 108.7044 45.5061 0.0000 174.2345 85 A 4.0433 8.0988 123.3348 51.8757 19.0189 176.0109 86 A 5.1554 8.2690 123.0133 50.3043 21.6727 176.3498 87 I 4.6375 8.4250 121.2915 59.6739 41.1319 173.9311 88 Y 4.9116 9.1281 129.1750 56.7765 40.5551 174.0308 89 I 4.5434 8.5652 127.6599 59.1356 40.7087 173.8952 90 E 4.6971 8.2940 127.7114 54.2830 31.9755 173.9362 91 N 5.1822 9.1848 127.0298 52.0347 41.3344 172.7207 92 N 5.4001 8.8417 124.6887 51.8518 41.4839 174.3951 93 G 4.0490 8.5272 110.6776 45.8291 0.0000 171.5147 94 I 5.3041 8.5704 112.3652 59.2120 41.7275 174.5943 95 R 5.0848 9.1537 124.4856 55.0265 32.7718 173.9716 96 T 5.1338 9.1921 116.7594 60.0583 72.0567 173.5026 97 V 4.8730 8.1836 114.9732 58.5953 35.7777 173.5493 98 P 4.5351 0.0000 0.0000 62.6161 32.2389 177.0860 99 D 4.3840 8.7652 118.1800 57.5248 40.4004 178.8602 100 E 3.9906 7.9679 115.9430 58.7809 30.0634 177.6741 101 Y 4.3588 7.5881 116.7777 58.7827 38.1099 177.2628 102 I 3.7363 7.5117 122.0508 64.7468 37.1076 178.0872 103 E 4.0651 8.1368 116.6738 58.7529 29.3682 178.9081 104 A 4.1346 7.9066 120.1066 55.3330 18.7091 179.2836 105 V 3.9516 7.7662 115.4486 64.1638 32.1034 175.7561 106 K 4.3901 7.6663 117.7843 54.9409 31.5346 175.6217 107 S 4.2947 7.9315 119.9916 59.0796 64.2137 177.2476 108 G 3.9297 7.4195 112.3444 42.7048 0.0000 170.8579 *113 P 4.7169 0.0000 0.0000 62.6558 32.9149 178.9289 114 N 4.4133 8.0946 113.6886 55.8785 39.1171 175.6910 115 A 4.0171 7.6581 120.1568 54.9967 18.6744 177.4740 116 Y 4.5397 7.1288 112.4940 58.2999 38.9174 175.3822 117 Y 4.5166 9.3390 125.4983 56.7717 40.5047 174.1892 118 F 5.3533 8.3089 128.7466 56.7616 42.1925 173.0090 119 R 4.9432 8.6944 124.2961 54.4863 34.6550 174.5881 120 T 5.0348 8.6992 111.3056 60.2386 73.2987 172.6005 121 I 4.8033 8.6959 123.5175 58.9492 39.4024 173.3471 122 P 4.7842 0.0000 0.0000 62.3069 32.8695 175.4817 123 T 4.4110 8.1648 118.5544 61.7332 71.2472 173.1991 124 F 5.3723 8.4960 123.6620 55.5969 42.3203 174.4287 125 E 4.6559 9.0764 122.2800 54.6617 32.2404 174.6707 126 T 4.3773 8.1372 115.8059 59.5917 72.2330 173.0540 127 Y 4.8229 8.1352 117.4419 57.2322 39.5088 175.5060 128 S 4.7652 7.7340 113.0925 55.3310 65.8482 173.2961 129 P 4.2445 0.0000 0.0000 65.7367 30.7862 178.6987 130 K 3.8090 8.1395 117.1985 58.8568 32.1213 177.0237 131 Y 4.5717 7.8207 114.1400 57.2959 38.7643 177.4515 132 K 4.0060 8.0567 121.4548 58.6812 32.1155 178.8588 133 W 4.4059 8.4220 116.9598 59.8847 27.6466 177.9303 134 M 3.9111 7.3798 118.4947 57.3962 31.2956 177.3615 135 M 4.5856 7.9189 117.0051 55.2709 32.5744 175.9835 136 N 5.1386 8.0550 115.1608 52.8856 40.1471 173.6131 137 H 5.0422 8.2851 114.0139 53.8892 32.8072 172.9113 138 I 4.4199 8.0665 122.0254 61.1237 38.4634 174.9890 139 F 5.4505 8.9614 123.1653 55.8103 42.9131 174.4373 140 V 4.6664 9.0223 120.0125 61.3070 35.3047 173.6568 141 C 4.9306 9.1857 126.7982 57.6916 34.3329 172.0692 142 C 4.7264 8.8550 124.0056 58.1647 29.7096 172.7888 143 A 4.8739 8.0035 124.2353 50.2112 22.2943 174.9782 144 S 4.6644 8.6135 112.5937 56.7652 66.4710 172.7126 145 R 4.9193 8.7090 126.4803 54.7820 31.2964 174.9276 146 L 4.7774 8.9564 126.4580 51.9784 44.5588 175.7297 147 P 4.2948 0.0000 0.0000 65.8982 31.2787 177.5332 148 E 4.8235 8.1611 113.8654 55.7645 31.8697 174.9684 149 N 6.2019 8.4324 116.1689 50.7491 43.6937 173.6563 150 V 4.8676 8.3376 120.5625 59.8520 34.8129 173.7699 151 L 5.0638 8.8095 126.4568 53.3804 44.2269 174.8241 152 L 4.9491 8.9534 125.8989 52.7056 45.2715 175.4215 153 K 4.7124 8.7520 122.9460 54.5054 35.1687 174.9279 154 F 4.8181 8.7252 124.2013 55.8985 41.1410 174.3854 155 Y 5.2081 9.0773 121.3012 56.0354 41.2819 174.5760 156 K 4.0116 9.3448 126.0707 55.4812 33.9496 175.4361 157 I 4.4068 8.1643 129.1308 60.7787 37.8636 176.1908 158 S 4.4467 8.6502 122.8698 58.6463 62.4453 174.3365 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 9 M 8.30 4.45 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 10 N 8.19 5.11 0.00 2.67 2.51 0.00 0.00 6.53 6.59 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 11 Y 7.43 5.49 0.00 3.04 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 12 E 9.47 4.90 0.00 2.04 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 2.23 2.26 0.00 13 E 9.22 4.18 0.00 2.09 1.92 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 2.14 1.80 0.00 14 V 8.23 4.52 2.37 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 1.10 0.00 0.00 1.19 0.00 0.00 15 F 7.13 4.87 0.00 3.26 2.75 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 16 S 9.78 5.33 0.00 3.78 3.80 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 17 I 8.90 5.23 2.12 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 1.07 0.00 0.00 18 T 8.93 4.90 4.27 0.00 0.00 0.00 0.00 0.00 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 19 I 8.88 4.82 1.92 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.92 0.80 0.00 0.00 20 T 8.78 5.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 V 8.38 4.75 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.92 0.00 0.00 22 D 9.00 4.74 0.00 2.75 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 23 K 8.40 4.23 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.46 7.81 24 P 0.00 4.56 0.00 2.00 1.97 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 25 I 9.06 4.10 1.88 0.00 0.00 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 1.12 0.60 0.92 0.00 0.00 26 L 8.48 4.29 0.00 1.64 1.57 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.49 4.14 1.97 0.00 0.00 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 1.28 0.99 0.92 0.00 0.00 28 G 7.58 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 29 Q 8.84 5.74 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 30 D 8.37 4.71 0.00 2.79 2.74 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 0.00 0.00 0.00 31 D 8.66 4.86 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 32 I 7.87 4.26 1.98 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 1.41 0.64 0.91 0.00 0.00 33 V 8.37 3.81 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 0.65 0.00 0.00 1.01 0.00 0.00 34 G 8.01 3.73 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 0.00 0.00 0.00 35 R 8.66 4.78 0.00 1.87 1.80 0.00 3.09 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 R 8.91 5.18 0.00 1.96 1.77 0.00 3.19 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 37 Q 9.28 5.08 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 38 L 8.80 5.08 0.00 1.61 1.61 0.93 0.73 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 39 I 8.74 4.62 1.87 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 0.65 0.90 0.00 0.00 40 P 0.00 4.77 0.00 2.07 1.98 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 41 I 8.12 4.22 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.43 0.76 0.00 0.00 42 I 8.76 4.03 1.96 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 1.35 0.73 0.91 0.00 0.00 43 S 7.45 4.54 0.00 3.84 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 44 G 7.99 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 45 K 8.70 4.85 0.00 1.84 1.70 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 46 V 8.59 4.87 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 1.05 0.00 0.00 1.01 0.00 0.00 47 S 9.51 5.31 0.00 3.90 3.96 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 48 G 8.43 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.70 4.79 0.00 2.79 2.84 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.94 4.27 0.00 2.86 2.94 0.00 0.00 6.94 7.02 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 51 F 7.88 4.68 0.00 3.12 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 52 N 8.24 5.37 0.00 2.89 2.65 0.00 0.00 6.75 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 53 G 7.53 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 54 K 7.64 5.15 0.00 1.80 1.85 0.00 1.30 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.35 7.81 55 V 8.47 4.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 56 L 8.78 4.53 0.00 1.71 1.61 0.92 0.90 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 57 P 0.00 4.32 0.00 2.05 2.00 0.00 3.67 0.00 0.00 3.67 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 58 G 8.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.67 5.18 1.93 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 1.16 1.10 0.94 0.00 0.00 61 D 9.35 5.13 0.00 2.70 2.55 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 0.00 0.00 0.00 0.00 62 S 9.04 5.05 0.00 3.96 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 63 Q 9.27 5.23 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 64 I 8.51 4.94 1.87 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 1.12 1.74 0.92 0.00 0.00 65 V 8.53 4.52 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 1.03 0.00 0.00 0.92 0.00 0.00 66 R 9.36 4.48 0.00 2.07 1.84 0.00 3.36 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 67 P 0.00 4.22 0.00 2.04 2.12 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 68 D 7.98 4.46 0.00 2.79 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 69 G 8.22 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.61 4.12 0.00 1.86 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.42 7.81 71 C 8.94 5.06 0.00 3.00 2.81 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 72 E 9.25 5.08 0.00 1.91 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 2.25 2.27 0.00 73 L 8.94 5.25 0.00 1.65 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.18 4.83 0.00 3.87 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 75 A 9.22 5.31 1.46 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 0.00 0.00 76 R 8.76 5.01 0.00 1.86 1.99 0.00 3.25 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 77 Y 8.12 5.32 0.00 3.14 3.06 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 78 A 8.83 5.39 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 79 I 8.95 5.04 1.88 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 1.05 0.00 0.00 80 R 8.70 4.88 0.00 1.80 1.72 0.00 3.04 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 81 L 8.82 4.47 0.00 1.57 1.27 -0.10 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.44 4.32 0.00 2.72 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 83 D 7.98 4.52 0.00 2.83 2.81 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 84 G 8.17 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 0.00 0.00 0.00 85 A 8.10 4.04 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 86 A 8.27 5.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.42 4.64 1.66 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.23 0.74 0.00 0.00 88 Y 9.13 4.91 0.00 3.15 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 89 I 8.57 4.54 0.83 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 1.22 0.74 0.54 0.00 0.00 90 E 8.29 4.70 0.00 1.76 1.59 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 2.09 2.30 0.00 91 N 9.18 5.18 0.00 2.75 2.73 0.00 0.00 6.57 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.84 5.40 0.00 2.66 2.68 0.00 0.00 6.28 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 93 G 8.53 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.57 5.30 1.97 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 1.30 1.01 0.97 0.00 0.00 95 R 9.15 5.08 0.00 1.06 1.43 0.00 2.21 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.21 0.00 96 T 9.19 5.13 4.30 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 1.29 0.00 0.00 97 V 8.18 4.87 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 0.47 0.00 0.00 0.98 0.00 0.00 98 P 0.00 4.54 0.00 2.33 2.27 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.09 0.00 99 D 8.77 4.38 0.00 2.69 2.74 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 0.00 0.00 0.00 100 E 7.97 3.99 0.00 1.88 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 1.47 1.80 0.00 101 Y 7.59 4.36 0.00 3.05 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 0.00 102 I 7.51 3.74 1.95 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 1.67 1.54 0.97 0.00 0.00 103 E 8.14 4.07 0.00 1.93 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 2.30 2.31 0.00 104 A 7.91 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.77 3.95 2.26 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 0.93 0.00 0.00 1.05 0.00 0.00 106 K 7.67 4.39 0.00 1.86 1.81 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.43 7.81 107 S 7.93 4.29 0.00 4.00 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 0.00 108 G 7.42 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 *113 P 0.00 4.72 0.00 2.25 2.23 0.00 3.51 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 2.02 2.11 0.00 114 N 8.09 4.41 0.00 2.68 2.84 0.00 0.00 6.93 7.96 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 0.00 115 A 7.66 4.02 0.58 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 0.00 116 Y 7.13 4.54 0.00 3.01 2.82 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 0.00 0.00 0.00 117 Y 9.34 4.52 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 F 8.31 5.35 0.00 2.78 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 0.00 119 R 8.69 4.94 0.00 1.53 1.54 0.00 3.01 0.00 0.00 2.84 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 120 T 8.70 5.03 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 1.07 0.00 0.00 121 I 8.70 4.80 1.85 0.00 0.00 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 1.28 0.96 0.98 0.00 0.00 122 P 0.00 4.78 0.00 1.25 2.00 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 123 T 8.16 4.41 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 1.14 0.00 0.00 124 F 8.50 5.37 0.00 2.86 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 0.00 125 E 9.08 4.66 0.00 2.12 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 1.88 2.16 0.00 126 T 8.14 4.38 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 0.97 0.00 0.00 127 Y 8.14 4.82 0.00 2.97 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 0.00 128 S 7.73 4.77 0.00 4.04 4.02 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 0.00 129 P 0.00 4.24 0.00 2.19 2.17 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 130 K 8.14 3.81 0.00 1.61 1.59 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.45 1.26 7.81 131 Y 7.82 4.57 0.00 2.93 2.66 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 0.00 132 K 8.06 4.01 0.00 1.78 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.62 7.81 133 W 8.42 4.41 0.00 3.74 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 7.38 3.91 0.00 1.22 1.76 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.81 0.00 135 M 7.92 4.59 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 136 N 8.05 5.14 0.00 2.81 2.79 0.00 0.00 6.69 8.14 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 0.00 137 H 8.29 5.04 0.00 3.12 2.99 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.07 4.42 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 0.96 0.00 0.00 139 F 8.96 5.45 0.00 2.96 3.15 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 0.00 140 V 9.02 4.67 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 141 C 9.19 4.93 0.00 2.44 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 0.00 142 C 8.85 4.73 0.00 2.92 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 0.00 143 A 8.00 4.87 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.61 4.66 0.00 3.84 3.61 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 0.00 145 R 8.71 4.92 0.00 1.56 1.22 0.00 3.29 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.59 0.00 146 L 8.96 4.78 0.00 1.65 1.58 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.29 0.00 2.05 2.15 0.00 3.64 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 2.05 2.16 0.00 148 E 8.16 4.82 0.00 1.87 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 2.28 2.30 0.00 149 N 8.43 6.20 0.00 2.68 2.63 0.00 0.00 6.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.34 4.87 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 0.88 0.00 0.00 0.94 0.00 0.00 151 L 8.81 5.06 0.00 1.75 1.50 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.95 4.95 0.00 1.64 1.04 1.04 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.75 4.71 0.00 1.65 1.33 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.29 7.81 154 F 8.73 4.82 0.00 1.87 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 0.00 155 Y 9.08 5.21 0.00 2.94 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 0.00 156 K 9.34 4.01 0.00 1.95 1.72 0.00 1.46 0.00 0.00 1.90 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.90 7.81 157 I 8.16 4.41 1.93 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 1.36 0.96 0.99 0.00 0.00 158 S 8.65 4.45 0.00 3.75 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 * Residues marked with a * may have inaccurate shift predictions.