NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1789 8.3144 120.1421 56.1649 33.5029 174.4743 3 V 4.1446 7.9388 122.9864 60.3388 33.6333 173.5996 4 F 4.4393 8.9931 125.6636 55.5240 42.0026 173.6240 5 E 4.4620 8.1697 126.4327 54.8255 30.8408 174.4268 6 F 5.2039 8.3346 122.1739 56.4585 43.9953 173.0479 7 E 4.8852 9.2048 118.3493 54.9109 32.7497 176.0858 8 V 4.6071 8.4246 115.6613 60.5565 33.7903 174.9482 9 G 4.2622 8.5978 110.7515 46.6915 0.0000 173.8200 10 K 4.3370 7.7415 118.9030 54.8260 34.0144 175.7313 11 G 4.2488 7.5907 106.8351 45.1182 0.0000 172.4491 12 F 5.1855 9.0863 120.7815 55.4147 43.4320 173.6608 13 L 5.3691 8.8281 122.1594 52.9971 44.2471 175.8041 14 L 4.7147 8.9602 123.1248 52.7732 45.7438 175.6466 15 R 4.8713 8.3629 122.5881 54.5668 31.0047 175.7126 16 L 4.3824 8.4299 126.8687 54.5099 42.3963 176.8897 17 D 4.6054 9.8161 122.0401 53.5623 41.6896 176.0219 18 Y 4.0657 8.4119 124.6858 58.9445 39.2603 176.5226 19 G 3.7721 8.4420 114.5780 45.4062 0.0000 173.3761 20 K 4.5589 7.1722 118.2960 54.0633 34.7645 175.1889 21 D 4.8364 8.3077 120.0632 54.0799 42.5261 176.6628 22 L 3.8465 9.1864 129.6522 58.3494 42.2808 179.4261 23 V 3.5112 7.7362 117.5140 66.1414 31.5476 177.8962 24 R 3.9334 8.7622 118.0952 59.4022 29.9073 179.1006 25 Q 4.0108 8.0655 117.7111 58.9632 28.6360 178.8677 26 I 3.7329 7.5079 120.5888 64.5911 37.1871 178.3112 27 E 3.9473 8.2753 119.2764 59.5033 29.2271 179.4300 28 E 3.9696 8.2546 118.6744 59.1528 29.5405 179.0156 29 F 4.0919 8.2260 120.6963 61.3135 39.3868 177.0964 30 L 3.6516 8.1518 118.7286 57.7958 41.1888 179.4120 31 E 3.8814 7.8295 117.2595 59.3526 29.4652 178.7057 32 E 3.9592 7.8160 118.1989 58.9347 29.8175 178.3776 33 K 4.0585 7.5251 116.0209 55.6971 32.5474 176.8762 34 G 3.7057 7.8165 107.2777 46.5040 0.0000 173.7828 35 I 4.0517 7.6416 120.5172 60.6316 37.8262 175.6280 36 H 5.0006 8.7093 121.2792 55.8743 31.1040 174.2349 37 A 5.2919 7.6813 119.6204 49.9710 22.5310 174.8868 38 A 4.4845 8.0097 121.5383 51.7837 22.9351 174.0569 39 H 5.2757 8.5428 119.0812 54.6060 32.4920 173.4352 40 I 4.9933 8.6357 125.2747 59.7110 40.8303 174.4377 41 S 5.2210 8.7102 118.6502 57.3670 66.1254 172.4763 42 A 5.2187 8.4852 125.8817 51.3456 22.6395 175.0768 43 I 4.5219 8.8274 111.8067 59.1859 41.7078 173.3207 44 G 4.0451 7.8350 109.5108 44.4581 0.0000 172.4557 45 A 5.1402 9.2207 125.7158 50.7762 23.2028 175.8161 46 V 4.8632 9.0186 112.3302 59.7967 35.4715 176.9817 47 R 4.2566 8.7579 121.4522 58.0801 31.1329 176.2486 48 S 4.6646 7.4914 111.6829 58.2539 66.0291 174.3810 49 A 4.8073 8.1157 120.4662 51.5842 23.3211 175.5587 50 V 4.8402 8.9787 119.0907 61.4900 34.7274 174.4335 51 I 5.2498 8.3048 121.9319 60.0391 41.3568 174.0725 52 G 4.6224 7.9081 107.2147 46.5498 0.0000 172.0009 53 Y 5.5006 8.3757 118.2744 55.1819 41.6981 173.9103 54 Y 4.6254 8.8403 122.2629 56.2627 40.2478 174.3765 55 D 4.5468 8.3898 127.8490 54.1108 41.5968 176.9751 56 Q 4.1240 8.8554 125.5318 57.7564 29.3668 177.0263 57 E 4.3635 8.1957 116.3718 58.1091 30.5546 177.6644 58 K 3.9557 8.4795 116.4538 57.0645 32.6852 176.9225 59 K 3.4721 7.5962 117.1156 56.2100 29.6197 174.8280 60 E 4.8228 6.4115 114.5830 55.2698 33.1067 175.6358 61 Y 4.8361 8.7347 119.0330 58.1680 39.4233 175.5608 62 V 4.2419 8.8599 121.9045 61.0516 34.0289 174.8126 63 K 5.0377 8.5238 127.2394 55.7639 34.8391 175.8280 64 K 4.6296 9.2341 122.2230 54.7946 35.3944 174.5912 65 E 4.9347 8.7953 126.2398 55.1209 31.3559 174.9809 66 L 4.6329 8.4440 122.2140 52.7768 46.7355 175.0187 *68 E 4.2033 8.5513 119.3639 55.1775 30.3573 173.3635 69 P 4.5514 0.0000 0.0000 63.3430 32.0753 175.6074 70 L 4.8763 8.9879 122.6854 53.1138 46.7222 175.4456 71 E 4.4891 8.7302 121.1103 56.0868 31.2404 176.4558 72 I 4.0700 8.7329 125.2038 60.6143 36.3000 175.7763 73 L 4.2259 8.9523 128.9197 57.3389 42.5041 177.9207 74 S 4.5271 7.5942 109.9496 57.2852 66.1068 174.1935 75 L 5.1304 8.2887 128.3228 53.6528 45.1567 174.6158 76 S 4.9437 8.8946 120.2562 56.9367 66.7046 173.9540 77 G 4.2353 8.0030 111.0161 46.0355 0.0000 171.2012 78 N 5.4846 7.9170 115.7369 51.5667 41.7108 173.3565 79 V 5.0316 8.7202 119.4271 61.8432 34.6551 172.6147 80 S 5.0246 9.0798 124.4253 58.8831 70.0800 176.6491 *82 K 4.0763 9.2494 119.0809 57.0610 33.0020 174.0718 83 D 4.3188 9.1990 126.2545 56.0171 38.1871 173.3245 84 S 3.8017 8.2601 106.9807 58.3104 62.1002 171.8835 85 K 4.5259 7.6671 117.0651 55.4476 35.3374 173.6350 86 P 4.3743 0.0000 0.0000 63.6181 31.4982 175.0836 87 F 4.9398 9.7887 125.8359 56.4250 42.1674 173.3719 88 C 4.7540 7.8609 123.6168 58.7561 29.6570 172.7545 89 H 4.6423 8.8658 123.1543 54.5012 31.9049 172.2602 90 I 4.9845 8.0133 126.0423 59.7167 41.1778 174.2921 91 H 5.3903 9.0353 122.6549 54.2939 32.1428 173.4947 92 V 5.0285 8.7277 113.8595 59.9310 37.0127 174.2096 93 L 5.2518 9.1304 121.1845 53.2848 45.0557 176.0478 94 L 5.7982 9.8081 123.6468 51.6322 46.0141 177.8440 95 G 3.8732 7.5926 107.3308 45.4528 0.0000 171.1485 96 K 4.8065 8.3506 118.5271 56.8470 36.8803 175.5033 97 D 4.4394 8.6386 122.8856 55.8186 40.1039 175.2706 98 G 3.6995 8.9881 116.7323 46.5242 0.0000 173.3010 99 E 4.0926 8.3684 122.9202 54.6675 28.5839 174.2233 100 V 4.7294 7.5879 124.7101 60.9637 34.4465 173.9520 101 Y 4.9917 9.1321 124.2154 56.6234 41.9961 174.6120 102 G 4.3879 8.1096 106.8380 45.0488 0.0000 173.7878 103 G 4.0142 7.8327 107.1873 45.6309 0.0000 170.5463 104 H 4.2224 8.2355 120.5442 55.9073 30.9045 175.1045 105 L 4.4727 8.3256 128.6649 54.5204 42.3272 175.4856 106 F 4.8205 8.9565 125.1040 58.9465 40.7570 176.1236 107 S 4.8480 7.8968 110.3203 57.6616 66.3176 173.2528 108 A 4.8970 8.9703 121.4029 51.0369 23.1307 174.9933 109 E 4.3765 8.7507 124.4839 55.3544 31.2086 175.8443 110 V 3.9246 8.5928 127.7017 63.2610 32.4673 175.1539 111 F 4.3907 8.8796 129.2373 59.1915 40.7194 175.7036 112 A 4.5762 7.7796 119.9286 50.9506 22.5820 173.9590 113 C 5.1496 8.7353 122.5054 57.8455 35.6282 172.2184 114 E 5.1535 9.0073 125.6186 54.7219 31.6990 174.9767 115 V 4.7399 8.5874 125.0059 60.9720 34.6996 173.9190 116 F 5.4191 9.5306 130.3069 56.5489 41.6707 174.0979 117 V 4.3757 8.7919 126.5534 60.9624 34.1695 173.9264 118 L 4.8204 8.1855 130.9373 52.0518 42.8469 173.3138 119 P 4.7953 0.0000 0.0000 62.6204 32.3377 175.7308 120 L 4.5601 8.6533 122.3264 52.9796 44.0010 176.0654 121 S 4.4713 9.1313 120.5299 57.7457 63.3513 173.9841 122 G 4.0330 8.2996 115.0362 45.6763 0.0000 170.1454 123 E 4.0344 8.2157 119.7334 55.9058 29.5356 176.8636 124 A 4.2886 8.5699 128.1304 51.1241 19.1915 175.0235 125 P 4.2657 0.0000 0.0000 62.6302 32.1382 175.4578 126 E 4.8049 8.8119 121.6760 54.8202 32.3419 175.0763 127 R 5.1224 8.7315 122.4376 55.3364 31.4247 175.6944 128 A 5.0775 9.2559 125.5841 49.5172 22.9969 174.8748 129 F 3.6151 9.0437 122.2519 58.6521 40.1671 173.8020 130 D 4.5542 7.7064 125.6826 52.1659 42.7674 176.2352 131 E 3.7985 8.8345 127.2528 59.3345 30.1186 177.4054 132 Q 4.0880 8.1685 118.5216 58.9911 29.0065 177.1596 133 T 4.2154 8.0227 105.3012 61.1031 69.8914 175.7986 134 G 3.6420 8.0436 109.6643 45.2408 0.0000 172.5237 135 L 4.3506 7.0164 121.5255 53.4575 45.0203 175.5042 136 F 4.8801 8.6603 120.4630 56.0503 38.9136 175.6450 137 L 4.4790 8.1318 123.6034 52.2666 44.5137 176.0093 138 W 5.0074 8.3811 120.6712 57.7202 29.0821 175.2624 139 L 4.7116 8.9045 126.8507 54.9971 43.0642 176.1009 140 E 5.0415 8.0720 120.7832 57.2837 28.9664 175.7432 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 2 K 8.31 4.18 0.00 2.05 1.75 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.59 7.81 3 V 7.94 4.14 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 0.77 0.00 0.00 0.90 0.00 0.00 4 F 8.99 4.44 0.00 3.05 2.64 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 0.00 0.00 0.00 5 E 8.17 4.46 0.00 1.79 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 2.17 2.29 0.00 6 F 8.33 5.20 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.20 4.89 0.00 1.95 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 2.24 2.28 0.00 8 V 8.42 4.61 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 0.72 0.00 0.00 0.96 0.00 0.00 9 G 8.60 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 10 K 7.74 4.34 0.00 1.56 1.29 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.36 7.81 11 G 7.59 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 0.00 0.00 0.00 0.00 12 F 9.09 5.19 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.83 5.37 0.00 1.55 1.59 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.96 4.71 0.00 1.36 1.27 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.36 4.87 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 16 L 8.43 4.38 0.00 1.55 1.56 0.85 0.81 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 17 D 9.82 4.61 0.00 2.77 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 18 Y 8.41 4.07 0.00 2.80 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 19 G 8.44 3.77 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 0.00 0.00 0.00 20 K 7.17 4.56 0.00 1.79 1.69 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.49 7.81 21 D 8.31 4.84 0.00 2.77 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.19 3.85 0.00 1.83 1.61 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.74 3.51 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.87 0.00 0.00 24 R 8.76 3.93 0.00 1.80 1.97 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 25 Q 8.07 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 26 I 7.51 3.73 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 0.91 0.00 0.00 27 E 8.28 3.95 0.00 2.15 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 2.27 2.53 0.00 28 E 8.25 3.97 0.00 2.23 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 2.33 2.51 0.00 29 F 8.23 4.09 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 30 L 8.15 3.65 0.00 1.80 1.80 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.83 3.88 0.00 2.05 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 0.00 2.46 2.44 0.00 32 E 7.82 3.96 0.00 1.88 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 2.16 2.27 0.00 33 K 7.53 4.06 0.00 1.10 1.46 0.00 1.68 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.49 0.21 7.81 34 G 7.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.64 4.05 1.76 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 1.11 0.68 0.90 0.00 0.00 36 H 8.71 5.00 0.00 3.06 3.28 0.00 5.61 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 37 A 7.68 5.29 0.95 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 38 A 8.01 4.48 1.15 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 39 H 8.54 5.28 0.00 3.17 3.09 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.64 4.99 1.79 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 1.04 0.79 0.85 0.00 0.00 41 S 8.71 5.22 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.49 5.22 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 43 I 8.83 4.52 1.89 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 1.17 0.65 0.92 0.00 0.00 44 G 7.83 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 45 A 9.22 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.02 4.86 2.35 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 0.77 0.00 0.00 0.99 0.00 0.00 47 R 8.76 4.26 0.00 1.64 1.96 0.00 2.70 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 48 S 7.49 4.66 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.12 4.81 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 50 V 8.98 4.84 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 1.07 0.00 0.00 0.92 0.00 0.00 51 I 8.30 5.25 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 0.94 0.00 0.00 52 G 7.91 4.62 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 53 Y 8.38 5.50 0.00 3.12 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.84 4.63 0.00 2.75 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 55 D 8.39 4.55 0.00 2.70 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 0.00 0.00 0.00 0.00 56 Q 8.86 4.12 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 57 E 8.20 4.36 0.00 2.03 1.95 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 2.21 2.23 0.00 58 K 8.48 3.96 0.00 1.59 1.79 0.00 1.94 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 59 K 7.60 3.47 0.00 1.93 1.94 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.44 7.81 60 E 6.41 4.82 0.00 2.01 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 2.14 2.26 0.00 61 Y 8.73 4.84 0.00 3.08 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 62 V 8.86 4.24 0.74 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 0.81 0.00 0.00 0.68 0.00 0.00 63 K 8.52 5.04 0.00 1.82 1.54 0.00 1.37 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.19 1.31 7.81 64 K 9.23 4.63 0.00 1.84 1.68 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.38 7.81 65 E 8.80 4.93 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 66 L 8.44 4.63 0.00 1.43 1.35 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 *68 E 8.55 4.20 0.00 1.94 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 2.19 2.34 0.00 69 P 0.00 4.55 0.00 1.88 1.81 0.00 3.65 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 1.97 2.07 0.00 70 L 8.99 4.88 0.00 1.57 1.52 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.73 4.49 0.00 2.11 1.87 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 2.30 2.43 0.00 72 I 8.73 4.07 2.07 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 1.25 0.52 0.97 0.00 0.00 73 L 8.95 4.23 0.00 1.65 1.73 0.92 1.07 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 74 S 7.59 4.53 0.00 3.85 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 75 L 8.29 5.13 0.00 1.70 1.61 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.89 4.94 0.00 3.92 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 77 G 8.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 7.92 5.48 0.00 3.04 3.02 0.00 0.00 6.85 7.73 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 79 V 8.72 5.03 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 0.98 0.00 0.00 0.90 0.00 0.00 80 S 9.08 5.02 0.00 4.23 3.37 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 *82 K 9.25 4.08 0.00 1.59 1.49 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.11 7.81 83 D 9.20 4.32 0.00 2.77 2.67 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 84 S 8.26 3.80 0.00 4.09 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 85 K 7.67 4.53 0.00 1.79 1.76 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.42 7.81 86 P 0.00 4.37 0.00 2.20 2.35 0.00 3.77 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 1.99 1.99 0.00 87 F 9.79 4.94 0.00 3.07 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 88 C 7.86 4.75 0.00 2.55 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 89 H 8.87 4.64 0.00 3.20 3.25 0.00 5.54 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.01 4.98 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.41 0.86 0.00 0.00 91 H 9.04 5.39 0.00 2.98 3.13 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.73 5.03 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 0.78 0.00 0.00 0.93 0.00 0.00 93 L 9.13 5.25 0.00 1.53 1.54 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 94 L 9.81 5.80 0.00 1.72 1.62 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.59 3.87 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 0.00 96 K 8.35 4.81 0.00 1.87 1.87 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.40 7.81 97 D 8.64 4.44 0.00 2.78 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.99 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 0.00 0.00 0.00 99 E 8.37 4.09 0.00 1.91 1.93 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 1.91 2.10 0.00 100 V 7.59 4.73 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 0.90 0.00 0.00 0.86 0.00 0.00 101 Y 9.13 4.99 0.00 2.88 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 0.00 102 G 8.11 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 0.00 0.00 0.00 0.00 103 G 7.83 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 0.00 0.00 0.00 104 H 8.24 4.22 0.00 3.24 3.02 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.33 4.47 0.00 1.52 1.51 0.92 0.59 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 0.00 106 F 8.96 4.82 0.00 3.12 2.99 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 0.00 107 S 7.90 4.85 0.00 4.06 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 0.00 108 A 8.97 4.90 1.21 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 0.00 0.00 0.00 0.00 0.00 109 E 8.75 4.38 0.00 2.06 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 110 V 8.59 3.92 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 0.68 0.00 0.00 0.96 0.00 0.00 111 F 8.88 4.39 0.00 3.04 3.19 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 0.00 112 A 7.78 4.58 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 0.00 113 C 8.74 5.15 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.01 5.15 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 115 V 8.59 4.74 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 1.04 0.00 0.00 0.89 0.00 0.00 116 F 9.53 5.42 0.00 3.05 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 0.00 117 V 8.79 4.38 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 0.98 0.00 0.00 0.82 0.00 0.00 118 L 8.19 4.82 0.00 1.27 1.35 0.97 0.73 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 0.00 119 P 0.00 4.80 0.00 2.15 2.15 0.00 3.90 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 120 L 8.65 4.56 0.00 0.75 0.64 0.35 0.80 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 0.00 121 S 9.13 4.47 0.00 3.97 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 0.00 122 G 8.30 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.22 4.03 0.00 1.93 1.95 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 2.26 2.23 0.00 124 A 8.57 4.29 1.27 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 0.00 0.00 0.00 125 P 0.00 4.27 0.00 0.49 0.49 0.00 3.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.00 126 E 8.81 4.80 0.00 2.04 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 2.26 2.45 0.00 127 R 8.73 5.12 0.00 1.73 2.08 0.00 3.21 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 128 A 9.26 5.08 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 0.00 129 F 9.04 3.62 0.00 2.57 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.71 4.55 0.00 2.54 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 0.00 0.00 0.00 131 E 8.83 3.80 0.00 1.99 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 2.32 2.38 0.00 132 Q 8.17 4.09 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 133 T 8.02 4.22 4.17 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 1.15 0.00 0.00 134 G 8.04 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.02 4.35 0.00 1.48 1.29 -0.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.66 4.88 0.00 2.87 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 0.00 137 L 8.13 4.48 0.00 1.54 1.47 0.80 0.84 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 0.00 138 W 8.38 5.01 0.00 3.47 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 0.00 139 L 8.90 4.71 0.00 1.76 1.80 1.00 1.04 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 0.00 140 E 8.07 5.04 0.00 2.21 2.05 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 2.21 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.