NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 D 4.8533 8.2076 120.4669 54.3057 43.2778 173.4286 20 R 5.2058 8.4318 116.5761 54.1963 32.5946 173.2966 21 H 4.8146 9.8683 120.4257 54.4770 31.1125 175.1053 22 T 4.4627 8.4536 121.0496 63.1054 69.4968 174.8528 23 V 4.3331 8.8799 125.8549 61.2816 34.4250 174.6441 24 F 4.8694 9.1693 128.2185 56.3184 38.7932 175.7766 25 W 4.5018 9.2567 135.0000 56.9309 29.8288 174.5964 26 N 5.2689 7.9847 122.1616 51.3935 39.4701 175.9094 27 S 4.0689 9.0856 115.7714 61.4949 63.1277 175.8413 28 S 4.2348 7.6554 114.3510 59.7442 62.4969 173.6123 29 N 4.5599 8.2583 121.4790 52.1818 39.0323 173.8993 30 P 4.4031 0.0000 0.0000 64.9565 31.8176 178.5337 31 K 3.6953 7.6708 117.7796 58.6778 32.2677 177.7773 32 F 4.2905 7.5800 116.0353 58.8851 39.3103 178.1033 33 R 3.9401 7.7464 121.2256 59.2691 29.7380 177.7315 34 N 4.6957 8.1479 113.1934 51.2617 37.8765 179.6030 35 E 4.3654 8.1636 115.5152 58.1792 28.0143 174.5696 36 D 4.9529 7.4354 115.3257 52.6933 39.6160 175.6094 37 Y 4.4643 7.9715 121.2525 58.8828 40.1201 174.6001 38 T 5.1478 8.7231 123.2101 61.6171 72.0608 173.2950 39 I 4.4702 8.7211 119.9556 59.2725 40.5912 174.0047 40 H 5.1463 8.7621 121.9993 54.2742 30.4924 174.1624 41 V 4.5798 8.8693 116.4841 59.3622 35.4532 174.5109 42 Q 4.9249 8.1885 119.0678 53.8059 31.8118 174.9106 43 L 4.2374 8.4282 121.7831 56.8439 42.5649 176.5214 44 N 4.2132 8.8674 120.4609 54.0848 36.7005 173.8724 45 D 4.8691 7.2992 117.9346 53.2657 43.5347 175.0210 46 Y 5.1819 8.5731 118.3304 56.6094 40.8539 174.9727 47 V 4.5854 8.8020 122.9625 61.4365 34.1844 174.2219 48 D 4.9915 9.1768 129.6776 53.0001 42.2092 175.9732 49 I 4.6523 8.2859 126.5120 60.1660 38.5656 175.5279 50 I 4.4033 9.1378 131.0842 60.0316 38.0044 175.5878 51 C 5.0173 9.0430 125.5102 56.0990 40.5836 172.2151 52 P 4.6275 0.0000 0.0000 63.3091 32.1902 175.3130 53 H 5.1465 8.2148 121.4519 54.7350 32.9458 171.8284 54 Y 4.8659 8.2490 123.2118 56.6536 41.8551 175.1228 55 E 4.6421 8.4746 116.7184 55.8562 29.8283 176.6949 *59 V 3.8295 7.6880 114.4480 61.1032 33.7666 177.1528 60 A 4.1466 8.1762 124.9464 51.9394 18.6352 178.6389 61 D 4.3149 8.7816 123.3642 57.0104 40.8598 178.4280 62 A 4.1978 7.7379 119.7417 54.2740 19.2518 178.6596 63 A 4.2305 7.6373 117.2155 52.9872 18.5440 177.4768 64 M 3.2153 7.2194 117.2815 54.4149 31.9217 176.1562 65 E 4.0957 8.7888 124.9572 56.5069 30.5168 176.8338 66 Q 4.6355 7.8141 120.6501 53.7082 33.3510 173.5100 67 Y 5.4619 8.5410 119.5794 56.4127 43.2453 174.0853 68 I 4.5933 8.4778 121.6255 59.6928 39.2836 175.1702 69 L 4.4409 8.7844 128.5652 54.2480 43.3562 175.6335 70 Y 5.1246 8.9188 120.5840 56.1242 41.3612 174.3387 71 L 4.6481 8.8277 127.2150 54.3471 42.5456 175.6699 72 V 4.7507 9.0061 120.0624 59.8656 36.3921 174.7876 73 E 4.9402 8.6278 120.3519 55.5273 31.0933 176.9411 74 H 3.1497 8.9042 122.1576 60.0557 29.5133 177.8880 75 E 3.9339 8.0266 119.3668 61.2681 29.8259 181.4142 76 E 4.4272 8.0367 120.7245 58.4102 29.3879 178.8094 77 Y 4.0125 7.8284 119.8498 60.7316 38.6947 177.7340 78 Q 3.8430 7.9960 117.7601 59.1164 29.0269 178.8374 79 L 4.0627 7.6877 117.4815 55.2546 41.6836 176.5994 80 C 4.1292 7.6069 117.0967 57.2263 42.1584 172.2173 81 Q 4.5789 7.7929 115.5692 52.7027 31.5470 173.5302 82 P 4.3760 0.0000 0.0000 62.2887 32.3656 176.0491 83 Q 4.2752 8.9111 118.2660 57.9508 28.1626 175.9369 84 S 4.6326 7.8139 113.2075 57.3420 65.7339 176.0167 85 K 4.3093 8.8303 125.1925 58.4143 31.6154 180.5107 86 D 4.7375 7.6016 112.4257 54.4204 39.1997 180.9718 87 Q 4.7707 8.3198 119.8290 56.8193 32.0269 175.8683 88 V 3.4515 8.1775 118.5204 64.2162 31.2423 175.1700 89 R 4.5000 9.3345 129.2196 57.7601 30.7812 175.7661 90 W 5.0038 7.7810 126.4160 56.3321 34.5269 171.8828 91 Q 4.6469 7.5060 124.4674 54.0108 29.9695 177.0221 92 C 4.9140 9.0455 127.1199 55.6377 38.2588 174.0143 93 N 5.3434 7.8564 112.5870 52.0247 38.3695 176.7413 94 R 4.6659 7.5117 117.9524 54.1322 30.3060 173.3100 95 P 4.8522 0.0000 0.0000 64.1310 32.2893 178.6278 96 S 5.0145 7.8191 112.3948 57.2517 63.3039 173.9059 97 A 4.0115 8.1364 124.2535 53.4461 18.4833 178.7858 98 K 3.7887 8.8602 123.8352 59.9598 32.5005 177.7802 99 H 4.2290 8.3967 112.9895 56.9342 28.3427 175.5598 100 G 3.7748 6.1558 104.2023 44.2805 0.0000 169.7808 101 P 4.2814 0.0000 0.0000 62.1343 32.0541 175.8002 102 E 4.4367 8.8007 123.6804 56.1110 30.7106 175.5169 103 K 5.1609 8.6611 124.7285 54.9470 36.7195 175.2034 104 L 3.9485 8.4374 121.7760 53.4536 44.5288 175.6072 105 S 4.9168 8.3053 123.9515 57.0672 63.5469 173.3815 106 E 4.3483 8.8143 127.6030 54.6197 30.5511 174.9033 107 K 4.3353 8.6350 129.5479 55.4681 32.9723 177.7188 108 F 4.1885 9.2065 131.4027 56.3304 37.1381 175.1144 109 Q 4.4713 7.7274 118.8407 55.4078 30.3628 179.0841 110 R 3.9170 8.5310 121.4956 57.7820 30.5264 176.6240 111 F 5.2709 7.7406 114.2696 55.6456 42.2710 173.9740 112 T 4.6794 8.7705 118.0933 59.9207 69.6637 172.2719 113 P 4.4851 0.0000 0.0000 63.1822 31.8101 175.5356 114 F 4.8253 8.0137 122.2496 56.2104 40.3559 176.3696 115 T 3.8595 8.0529 118.9682 64.5846 68.7916 175.6560 116 L 3.9457 6.7695 120.2628 56.2157 41.8810 177.1460 117 G 4.0624 7.5080 106.7521 44.4585 0.0000 172.5032 118 K 4.2674 8.0107 119.3501 54.1454 34.4410 174.5242 119 E 4.0538 7.9692 123.9882 54.7461 31.1135 175.4225 120 F 4.4689 8.0545 123.4303 55.5898 40.4398 175.6520 121 K 4.3870 8.8943 123.8923 55.7195 32.9178 177.4469 122 E 4.0967 8.7540 122.1253 57.6147 30.0439 177.2980 123 G 3.8433 8.5358 109.7227 46.4706 0.0000 172.8282 124 H 4.8525 7.8979 115.4771 53.6800 32.4566 172.9645 125 S 4.8528 7.9761 115.3878 56.8961 65.1930 173.3543 126 Y 4.4980 8.6163 120.6317 56.2069 42.0082 174.1251 127 Y 5.3508 8.1691 118.9357 56.5142 42.0909 174.0184 128 Y 5.6103 9.7452 121.5015 56.3167 41.2768 174.8558 129 I 5.5231 9.1836 116.3533 59.5564 41.4609 174.4784 130 S 5.5709 8.9056 119.0768 56.5621 66.1863 174.1464 131 K 4.8078 8.5816 120.2519 54.5599 36.1497 173.9438 132 P 4.7863 0.0000 0.0000 63.3625 31.3367 176.5150 133 I 3.8809 8.9922 128.3096 65.1692 36.7016 177.5798 *134 H 4.6930 8.0648 115.0849 55.1172 30.5808 175.8773 135 Q 4.3827 7.7758 116.5170 55.6760 29.7878 174.2252 136 H 4.6193 8.3774 118.1019 55.0539 30.9110 174.7796 137 E 4.3319 8.2497 126.9299 55.3970 28.1428 176.1480 138 D 4.5211 8.5519 125.2879 56.1052 41.4457 177.1382 139 R 4.6330 7.5740 113.0759 54.0916 32.3836 175.2377 140 C 4.5388 8.4904 118.8555 55.5588 42.5506 172.4079 141 L 4.8311 8.4167 127.3722 53.2159 42.9724 175.6113 142 R 5.6887 8.6430 119.1256 55.3384 32.5449 174.0282 143 L 5.0506 9.8507 121.6358 53.4679 46.3498 174.5763 144 K 4.9328 9.0452 126.6490 54.6471 34.7869 174.6064 145 V 4.6034 9.0849 128.1350 61.3441 33.8818 173.8949 146 T 4.8115 8.5218 123.3674 60.1671 69.8904 172.8444 147 V 4.4966 8.7377 130.0168 62.0531 33.0697 175.9377 148 S 4.4307 8.9290 122.4943 58.5912 62.7855 174.0308 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 19 D 8.21 4.85 0.00 2.75 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 20 R 8.43 5.21 0.00 2.06 2.04 0.00 3.01 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 21 H 9.87 4.81 0.00 3.02 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.45 4.46 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 23 V 8.88 4.33 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 1.30 0.00 0.00 0.85 0.00 0.00 24 F 9.17 4.87 0.00 3.02 3.10 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 0.00 0.00 0.00 25 W 9.26 4.50 0.00 3.62 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 26 N 7.98 5.27 0.00 3.20 3.05 0.00 0.00 5.89 7.64 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 27 S 9.09 4.07 0.00 4.05 4.12 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 0.00 0.00 0.00 28 S 7.66 4.23 0.00 4.08 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 29 N 8.26 4.56 0.00 3.08 3.04 0.00 0.00 6.81 7.13 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 30 P 0.00 4.40 0.00 2.19 2.25 0.00 3.69 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 1.98 1.93 0.00 31 K 7.67 3.70 0.00 0.79 0.74 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.14 1.18 7.81 32 F 7.58 4.29 0.00 3.09 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 33 R 7.75 3.94 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 34 N 8.15 4.70 0.00 2.64 2.78 0.00 0.00 6.96 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 35 E 8.16 4.37 0.00 2.12 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 2.25 2.36 0.00 36 D 7.44 4.95 0.00 2.64 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 37 Y 7.97 4.46 0.00 2.66 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 38 T 8.72 5.15 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 1.13 0.00 0.00 39 I 8.72 4.47 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.01 0.59 0.00 0.00 40 H 8.76 5.15 0.00 2.99 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.87 4.58 1.70 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 0.04 0.00 0.00 0.31 0.00 0.00 42 Q 8.19 4.92 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 43 L 8.43 4.24 0.00 1.63 1.62 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.87 4.21 0.00 2.85 2.85 0.00 0.00 6.91 8.67 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 45 D 7.30 4.87 0.00 2.78 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 46 Y 8.57 5.18 0.00 2.97 2.84 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 0.00 0.00 0.00 47 V 8.80 4.59 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 0.86 0.00 0.00 0.60 0.00 0.00 48 D 9.18 4.99 0.00 2.50 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 4.65 1.74 0.00 0.00 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 1.15 0.48 0.97 0.00 0.00 50 I 9.14 4.40 1.49 0.00 0.00 0.50 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 0.70 1.00 0.00 0.00 51 C 9.04 5.02 0.00 3.09 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 52 P 0.00 4.63 0.00 2.47 2.12 0.00 3.77 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 53 H 8.21 5.15 0.00 3.06 3.07 0.00 5.67 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 54 Y 8.25 4.87 0.00 2.85 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 55 E 8.47 4.64 0.00 2.04 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 2.15 2.21 0.00 *59 V 7.69 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 60 A 8.18 4.15 1.22 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 0.00 0.00 0.00 61 D 8.78 4.31 0.00 2.58 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 62 A 7.74 4.20 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 63 A 7.64 4.23 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 64 M 7.22 3.22 0.00 1.58 1.74 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.91 0.00 65 E 8.79 4.10 0.00 2.14 1.62 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 2.41 2.38 0.00 66 Q 7.81 4.64 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 67 Y 8.54 5.46 0.00 2.93 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 68 I 8.48 4.59 1.81 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.40 0.00 0.00 69 L 8.78 4.44 0.00 1.55 1.45 0.75 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.92 5.12 0.00 3.09 2.86 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 71 L 8.83 4.65 0.00 1.69 1.60 0.99 0.70 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 72 V 9.01 4.75 2.17 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 0.86 0.00 0.00 1.12 0.00 0.00 73 E 8.63 4.94 0.00 2.29 1.89 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 2.32 2.38 0.00 74 H 8.90 3.15 0.00 2.91 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.03 3.93 0.00 2.01 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 2.31 1.97 0.00 76 E 8.04 4.43 0.00 2.24 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 0.00 2.38 2.33 0.00 77 Y 7.83 4.01 0.00 2.84 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 78 Q 8.00 3.84 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 79 L 7.69 4.06 0.00 1.65 1.69 0.90 0.95 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 80 C 7.61 4.13 0.00 2.95 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 81 Q 7.79 4.58 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 82 P 0.00 4.38 0.00 1.87 1.24 0.00 3.57 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 1.65 0.72 0.00 83 Q 8.91 4.28 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 84 S 7.81 4.63 0.00 4.01 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 85 K 8.83 4.31 0.00 1.70 1.87 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.01 7.81 86 D 7.60 4.74 0.00 2.78 2.57 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 87 Q 8.32 4.77 0.00 2.32 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 88 V 8.18 3.45 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 0.54 0.00 0.00 0.89 0.00 0.00 89 R 9.33 4.50 0.00 2.03 2.18 0.00 3.53 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 90 W 7.78 5.00 0.00 3.38 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 91 Q 7.51 4.65 0.00 1.63 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.20 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 92 C 9.05 4.91 0.00 3.23 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 93 N 7.86 5.34 0.00 2.76 2.85 0.00 0.00 6.19 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 94 R 7.51 4.67 0.00 1.86 1.94 0.00 3.23 0.00 0.00 3.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 95 P 0.00 4.85 0.00 2.46 2.49 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 96 S 7.82 5.01 0.00 3.99 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 97 A 8.14 4.01 1.38 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 0.00 0.00 0.00 98 K 8.86 3.79 0.00 1.78 1.93 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 99 H 8.40 4.23 0.00 3.27 3.48 0.00 5.66 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 0.00 100 G 6.16 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 0.00 101 P 0.00 4.28 0.00 2.07 2.04 0.00 3.64 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 102 E 8.80 4.44 0.00 2.24 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 2.59 2.63 0.00 103 K 8.66 5.16 0.00 1.75 1.68 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.26 7.81 104 L 8.44 3.95 0.00 1.43 1.37 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.31 4.92 0.00 3.64 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 0.00 106 E 8.81 4.35 0.00 2.15 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 1.91 1.87 0.00 107 K 8.64 4.34 0.00 1.91 1.70 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.20 0.70 7.81 108 F 9.21 4.19 0.00 2.99 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 0.00 109 Q 7.73 4.47 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.63 2.33 0.00 110 R 8.53 3.92 0.00 1.58 1.73 0.00 2.64 0.00 0.00 3.66 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 111 F 7.74 5.27 0.00 3.02 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 0.00 112 T 8.77 4.68 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 1.24 0.00 0.00 113 P 0.00 4.49 0.00 2.15 2.11 0.00 3.78 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 2.04 2.10 0.00 114 F 8.01 4.83 0.00 2.97 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 0.00 115 T 8.05 3.86 4.10 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 0.00 0.00 1.11 0.00 0.00 116 L 6.77 3.95 0.00 1.11 1.87 0.73 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.51 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.01 4.27 0.00 1.44 0.80 0.00 1.47 0.00 0.00 0.77 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.02 1.19 7.81 119 E 7.97 4.05 0.00 1.65 1.66 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 2.08 2.18 0.00 120 F 8.05 4.47 0.00 2.83 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 0.00 121 K 8.89 4.39 0.00 1.74 1.82 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.38 7.81 122 E 8.75 4.10 0.00 1.98 1.90 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 2.33 2.26 0.00 123 G 8.54 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.90 4.85 0.00 3.28 2.69 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.98 4.85 0.00 3.42 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 0.00 126 Y 8.62 4.50 0.00 2.94 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 0.00 127 Y 8.17 5.35 0.00 2.96 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 Y 9.75 5.61 0.00 3.39 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 0.00 129 I 9.18 5.52 2.04 0.00 0.00 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 1.39 1.01 1.13 0.00 0.00 130 S 8.91 5.57 0.00 4.38 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 0.00 131 K 8.58 4.81 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.49 7.81 132 P 0.00 4.79 0.00 2.18 2.27 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 133 I 8.99 3.88 1.81 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 1.08 0.54 0.88 0.00 0.00 *134 H 8.06 4.69 0.00 2.88 2.92 0.00 7.20 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 0.00 135 Q 7.78 4.38 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 136 H 8.38 4.62 0.00 3.13 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.25 4.33 0.00 2.00 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 2.35 2.47 0.00 138 D 8.55 4.52 0.00 2.75 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 0.00 139 R 7.57 4.63 0.00 1.89 1.91 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 140 C 8.49 4.54 0.00 2.89 3.18 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 0.00 141 L 8.42 4.83 0.00 1.60 0.99 0.37 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.64 5.69 0.00 2.11 2.01 0.00 2.21 0.00 0.00 2.77 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 143 L 9.85 5.05 0.00 1.71 2.07 0.20 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 144 K 9.05 4.93 0.00 1.87 1.63 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.13 1.01 7.81 145 V 9.08 4.60 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 0.16 0.00 0.00 1.08 0.00 0.00 146 T 8.52 4.81 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 1.03 0.00 0.00 147 V 8.74 4.50 2.34 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 1.07 0.00 0.00 1.24 0.00 0.00 148 S 8.93 4.43 0.00 3.86 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 * Residues marked with a * may have inaccurate shift predictions.