NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 R 4.1961 8.2549 120.8640 56.1955 32.0300 176.0575 30 T 3.8188 7.8795 114.2124 62.5328 68.8375 172.9287 31 N 4.7524 9.9012 126.6030 52.1153 40.8630 175.9581 32 Q 3.9555 8.5412 118.4963 59.0207 28.8020 178.9417 33 A 4.0867 8.0971 121.5018 55.1034 18.4982 179.7962 34 G 3.5286 8.6853 104.4877 47.8954 0.0000 175.9499 35 L 4.0001 8.1831 121.6066 57.6640 41.3852 179.5269 36 E 3.9941 8.2315 117.7737 59.1815 29.4210 179.0349 37 L 4.1846 7.5772 118.2317 57.6545 41.7110 179.2054 38 I 3.7757 7.6562 119.4450 64.3153 37.5047 177.6862 39 G 3.8675 8.4907 108.0567 45.1124 0.0000 171.5744 40 N 4.4466 8.2347 116.4597 50.1750 40.4342 174.9830 41 A 2.5800 6.9396 119.2085 54.4792 18.0936 179.1696 42 E 3.8529 7.8975 117.6353 59.4591 29.4781 179.0921 43 G 3.5692 8.0829 105.6611 47.9735 0.0000 174.8386 44 C 4.4686 7.7449 119.4625 59.4884 43.7429 175.5533 45 R 3.9644 7.7147 118.6047 59.2116 29.7717 178.7438 46 R 4.3713 7.9556 117.0749 57.6560 30.6226 176.4327 47 D 4.5558 8.2233 119.5786 51.6195 42.9533 174.1393 48 P 4.2771 0.0000 0.0000 65.2691 31.5226 178.5865 49 Y 3.9572 7.7830 114.9263 59.4746 37.8880 176.6936 50 M 4.3814 7.6404 119.0651 56.0749 32.4243 175.9021 51 C 4.9522 8.0861 117.1348 55.5426 37.4990 171.8116 52 P 4.0160 0.0000 0.0000 62.2675 31.7273 177.1470 53 A 3.3071 8.0446 123.5428 55.3246 18.2631 180.2290 54 G 3.6949 7.8203 102.4437 47.5567 0.0000 174.3178 55 V 4.3133 7.5453 111.7391 60.7633 32.5000 176.2440 56 W 4.4430 8.2330 121.1168 56.3524 29.5250 175.7878 57 T 4.2100 8.5496 117.7286 65.2390 68.0756 173.9685 58 D 4.4465 8.9760 125.6365 55.1578 38.5626 174.2763 59 G 3.8258 8.0282 106.9843 45.3420 0.0000 174.7189 60 I 4.3710 7.8463 119.5446 59.5104 38.8549 175.2922 61 G 3.5661 8.5942 114.7234 46.7454 0.0000 172.8130 *65 G 3.7364 7.6393 106.3993 44.6847 0.0000 172.8537 66 V 3.7959 8.1621 113.7602 61.2262 32.2015 176.0331 67 T 4.6051 8.0951 112.4317 58.9880 70.6581 172.4072 68 P 4.2259 0.0000 0.0000 63.9386 31.4920 177.5549 69 G 3.9842 8.3773 106.1673 44.4362 0.0000 173.7950 70 V 3.6273 7.4668 118.9397 61.5102 31.6535 176.0700 71 R 3.9461 8.4949 123.1746 56.4891 30.4405 176.0411 72 K 4.3832 8.4995 124.9689 56.0793 33.0377 177.7257 73 T 4.1941 8.9829 114.6231 61.3971 70.8574 175.4375 74 D 4.3588 8.6422 122.0274 57.7838 40.7948 178.9579 75 Q 3.9730 8.0539 119.3682 59.3296 29.0720 178.3056 76 Q 4.0184 8.2507 119.0238 59.0277 28.5499 178.6758 77 I 3.8434 7.9204 119.7856 64.3884 37.3082 178.0748 78 A 4.1604 8.3494 121.4852 55.1416 18.0021 179.5861 79 A 4.0500 8.2109 118.4951 54.8328 18.7040 178.6057 80 D 4.7371 8.3263 115.3537 54.1614 41.2392 178.2775 81 W 4.2662 8.0998 131.0355 60.6837 30.7673 177.4201 82 E 4.0324 8.4379 118.7195 59.1607 29.1190 178.2664 83 K 3.9115 8.1914 119.2070 59.8740 32.2406 178.3271 84 N 4.3036 8.5126 116.7144 56.0936 38.2853 177.5395 85 I 3.8220 7.9525 121.4532 64.3961 37.1091 178.3962 86 L 4.1722 8.1291 119.8223 57.9654 41.3665 179.6532 87 I 3.6958 8.0757 119.6522 64.2265 36.9992 178.3944 88 A 3.9337 8.0764 121.6509 55.1318 18.1439 179.4715 89 E 3.8776 8.4253 117.3452 59.5560 29.5596 179.5043 90 R 3.9235 8.3555 119.0029 59.5265 30.0370 177.4846 91 C 4.3071 8.5205 118.5331 60.0454 44.0767 175.7560 92 I 3.8484 7.8164 121.1012 64.4330 36.2867 178.2272 93 N 4.5442 8.6406 117.5586 56.7061 38.2372 177.5773 94 Q 4.1163 8.5053 118.3588 58.1596 28.9839 177.2057 95 H 4.8527 8.6221 114.1319 55.3026 30.3319 174.5291 96 F 4.7408 7.5624 117.3401 56.5305 40.7859 174.5035 97 R 4.0053 8.4358 117.8755 56.8063 27.5792 178.7547 98 G 4.0504 8.3336 108.0734 47.9950 0.0000 176.6132 99 K 3.8770 8.1060 119.6990 58.8920 32.3180 177.0964 100 D 4.6916 8.1164 116.8547 55.4481 41.3527 176.7051 101 M 3.1198 7.0697 118.6691 53.5155 32.7335 174.9661 102 P 4.4309 0.0000 0.0000 62.2086 33.5593 177.5291 103 D 4.3697 8.4939 119.0173 57.6621 40.6186 179.0114 104 N 4.3048 8.0927 116.2219 56.2624 38.6188 177.1189 105 A 3.9145 7.8664 121.6343 55.0503 18.4401 179.0711 106 F 3.8051 8.2695 119.2802 61.6857 39.4056 177.6458 107 S 3.9922 8.3829 114.4592 61.3376 62.6373 176.5097 108 A 3.9151 8.1253 123.6508 55.4873 18.0679 179.6341 109 M 3.8315 8.0385 117.3369 58.6224 31.8416 179.1227 110 T 3.5405 7.5729 116.0459 66.4130 68.5505 176.3906 111 S 3.9600 7.8382 114.7583 61.4658 62.3272 176.1471 112 A 3.9272 7.9010 123.0144 55.1335 18.1079 179.4961 113 A 3.7282 8.1143 119.6421 54.9574 18.5029 179.5860 114 F 3.7988 8.3850 119.5730 61.3847 39.2216 176.9813 115 N 4.3705 8.0813 115.2799 56.5451 38.9998 176.0432 116 M 3.9192 8.2443 117.6881 53.7789 33.6047 177.1866 117 G 3.8848 7.3673 105.7797 45.9389 0.0000 173.7295 118 C 4.2250 8.5862 120.8021 59.6524 38.9533 175.9328 119 N 4.2546 8.0178 117.5830 56.3812 37.9540 177.4478 120 S 4.2353 7.8867 115.3593 61.5472 63.0514 176.2435 121 L 3.6967 7.4908 120.2367 56.9280 41.5545 179.4451 122 R 4.2054 7.9683 118.7104 57.9619 30.2027 176.1308 123 T 5.3249 7.3219 105.6037 60.3540 72.3642 172.3076 124 Y 5.0269 8.6775 119.5893 55.2826 41.6722 173.6391 125 Y 4.4110 8.6610 121.7943 56.8695 40.6220 173.7957 126 S 4.6267 7.6753 122.5602 56.3803 63.2119 174.6499 127 K 3.9528 8.8306 129.3339 59.3373 32.3433 177.7913 128 A 4.1080 8.0288 120.6641 54.4870 18.3730 177.9670 129 R 4.2882 7.8563 112.1779 55.2634 30.9635 176.7002 130 G 3.9578 8.2438 106.0792 44.7519 0.0000 172.9917 131 M 4.6745 6.6763 114.5537 53.8169 34.3057 173.7703 132 R 4.3640 8.5871 118.7298 56.3029 31.1620 176.5219 133 V 4.2390 8.1450 122.4249 60.4226 34.7531 174.3612 134 E 4.4771 8.7377 128.4917 56.6240 30.6610 176.4772 135 T 4.3552 8.7408 116.7502 61.4333 70.1047 175.7139 136 S 4.0358 8.8862 119.3801 61.8706 62.8656 176.7513 137 I 3.9825 8.1139 120.8222 64.5720 37.7368 177.2806 138 H 4.2662 8.5990 119.1088 59.0068 29.6399 177.0003 139 K 3.9251 8.1061 122.9024 58.8428 31.9643 178.8328 140 W 4.3371 8.1934 118.8414 59.4703 28.8880 178.3524 141 A 4.3874 8.4276 120.9107 55.6761 17.6950 179.8161 142 Q 3.9335 8.0264 115.0818 58.5864 28.8186 178.2548 143 K 4.2431 7.6326 116.9139 55.9942 32.3058 177.5429 144 G 2.6259 7.4942 107.3219 46.2797 0.0000 175.6051 145 E 4.0941 7.4662 122.0363 54.4718 27.2409 176.6185 146 W 4.5993 7.4139 123.1695 59.4223 29.6271 177.8322 147 V 3.6262 7.8329 117.8181 66.1607 30.8488 177.5981 148 N 4.0440 7.8686 114.1780 56.3226 38.5374 176.4366 149 M 4.4536 8.3512 119.5632 59.2592 32.4228 177.5099 150 C 4.3401 8.7326 116.8193 60.2623 40.2525 175.6001 151 N 4.3747 8.2452 115.5175 55.0365 38.3864 175.8753 152 H 4.7152 8.2436 117.5221 55.7224 29.2260 176.5836 153 L 4.2201 7.9589 122.9693 57.4648 41.3350 177.2024 154 P 4.4944 0.0000 0.0000 64.3398 31.3689 176.9819 155 D 4.2278 8.1003 118.1847 56.0323 41.2610 176.8444 156 F 4.7488 7.7401 118.5373 56.4104 38.2684 175.7530 157 V 4.4646 7.4505 111.1603 60.9257 33.3029 175.4583 158 N 5.3091 8.0424 117.3779 51.9893 40.0368 174.4315 159 S 4.7942 8.6309 115.5968 57.8213 65.1357 173.7777 160 N 4.1346 10.2119 124.3889 54.4092 35.8480 175.2964 161 G 4.0413 9.4571 104.8597 45.5442 0.0000 174.1820 162 V 4.5589 7.4347 111.9669 58.6512 35.9252 172.9879 163 P 4.8221 0.0000 0.0000 62.6534 31.9754 175.7740 164 L 4.6615 8.3870 122.9102 52.7804 44.5621 176.8761 165 R 3.9139 8.8978 126.1894 59.9013 29.8806 178.7717 166 G 2.6036 7.5348 104.4688 47.4041 0.0000 175.4613 167 L 4.1225 7.3605 120.6728 57.2928 41.7651 179.2590 168 K 3.9050 8.0947 118.5792 59.6870 31.9811 179.4090 169 I 3.6994 7.8371 119.8391 64.3358 36.9993 178.5228 170 R 3.9461 8.0794 119.5434 59.6034 29.8904 178.7634 171 R 4.1711 8.4585 118.3137 59.2342 29.9424 178.7248 172 E 3.9579 8.2549 119.2232 59.2017 29.6707 179.0573 173 K 4.0003 8.3473 118.7621 59.4029 32.0980 179.1907 174 E 3.9682 8.6396 119.3878 59.3107 29.3647 179.2899 175 R 3.8965 8.3529 119.0557 59.6577 29.9377 178.5681 176 Q 3.9944 8.0801 116.6135 58.7450 28.9832 178.2575 177 L 4.0774 8.0222 121.2951 58.3775 41.9585 177.9826 178 C 4.1602 8.3378 117.2846 59.8367 42.3328 175.0642 179 L 4.2065 8.1109 118.4123 54.8744 41.2438 176.7660 180 T 4.1160 7.3582 117.4091 65.2256 68.3865 174.7807 181 G 4.0252 9.1904 115.8581 45.1047 0.0000 173.3053 182 L 4.5750 7.8940 117.9649 54.7925 43.0422 176.2344 183 V 4.5129 7.3121 109.8298 58.6764 35.6340 174.3806 184 N 4.3608 8.6309 119.5532 53.8593 38.7810 174.7611 185 E 4.0292 9.0523 128.1572 59.5700 29.9641 177.3771 *186 H 4.5066 8.6884 120.2565 54.4620 28.1443 179.7154 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 29 R 8.25 4.20 0.00 1.56 1.90 0.00 2.67 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.41 0.00 30 T 7.88 3.82 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 31 N 9.90 4.75 0.00 2.98 2.99 0.00 0.00 6.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.54 3.96 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 33 A 8.10 4.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.69 3.53 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 0.00 0.00 0.00 35 L 8.18 4.00 0.00 1.83 1.74 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.23 3.99 0.00 2.08 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 2.35 2.47 0.00 37 L 7.58 4.18 0.00 1.80 1.74 0.92 0.67 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 38 I 7.66 3.78 1.82 0.00 0.00 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 1.06 0.40 0.04 0.00 0.00 39 G 8.49 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 40 N 8.23 4.45 0.00 2.44 2.63 0.00 0.00 5.83 7.26 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 41 A 6.94 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.90 3.85 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 43 G 8.08 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.74 4.47 0.00 3.43 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.71 3.96 0.00 1.91 1.94 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 46 R 7.96 4.37 0.00 1.84 1.94 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 47 D 8.22 4.56 0.00 2.23 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 0.00 0.00 0.00 0.00 48 P 0.00 4.28 0.00 2.01 1.95 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 49 Y 7.78 3.96 0.00 3.05 3.01 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 50 M 7.64 4.38 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.54 0.00 51 C 8.09 4.95 0.00 3.20 3.21 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 52 P 0.00 4.02 0.00 1.68 0.66 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 53 A 8.04 3.31 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.82 3.69 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 0.00 0.00 0.00 55 V 7.55 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 0.78 0.00 0.00 1.14 0.00 0.00 56 W 8.23 4.44 0.00 3.40 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.55 4.21 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 1.25 0.00 0.00 58 D 8.98 4.45 0.00 2.86 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 59 G 8.03 3.83 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 0.00 0.00 0.00 60 I 7.85 4.37 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.87 0.00 0.00 61 G 8.59 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 G 7.64 3.74 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 0.00 0.00 0.00 66 V 8.16 3.80 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 67 T 8.10 4.61 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 68 P 0.00 4.23 0.00 2.20 2.23 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 69 G 8.38 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.47 3.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 71 R 8.49 3.95 0.00 1.80 1.90 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 72 K 8.50 4.38 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.45 7.81 73 T 8.98 4.19 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 1.26 0.00 0.00 74 D 8.64 4.36 0.00 2.71 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 75 Q 8.05 3.97 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 76 Q 8.25 4.02 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 77 I 7.92 3.84 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.65 1.25 0.00 0.00 78 A 8.35 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.21 4.05 1.41 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 0.00 0.00 80 D 8.33 4.74 0.00 2.91 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 81 W 8.10 4.27 0.00 3.67 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 82 E 8.44 4.03 0.00 2.24 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 0.00 2.44 2.49 0.00 83 K 8.19 3.91 0.00 1.89 1.90 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.55 7.81 84 N 8.51 4.30 0.00 2.90 2.42 0.00 0.00 7.05 7.54 0.00 0.00 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 I 7.95 3.82 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.88 0.00 0.00 86 L 8.13 4.17 0.00 1.88 1.75 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.08 3.70 1.96 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 1.45 0.86 0.87 0.00 0.00 88 A 8.08 3.93 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 89 E 8.43 3.88 0.00 2.28 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 0.00 2.50 2.56 0.00 90 R 8.36 3.92 0.00 1.98 2.15 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 91 C 8.52 4.31 0.00 3.10 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.82 3.85 1.79 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.61 0.82 0.00 0.00 93 N 8.64 4.54 0.00 2.94 2.93 0.00 0.00 7.08 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.51 4.12 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 95 H 8.62 4.85 0.00 3.36 3.01 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 7.56 4.74 0.00 3.15 3.11 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 0.00 97 R 8.44 4.01 0.00 2.44 2.36 0.00 3.24 0.00 0.00 3.71 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 98 G 8.33 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 99 K 8.11 3.88 0.00 1.71 1.88 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 100 D 8.12 4.69 0.00 3.26 3.11 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 0.00 101 M 7.07 3.12 0.00 1.48 1.89 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 2.19 0.81 0.00 102 P 0.00 4.43 0.00 2.08 1.94 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 103 D 8.49 4.37 0.00 2.67 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 0.00 104 N 8.09 4.30 0.00 2.72 3.10 0.00 0.00 7.02 7.20 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 0.00 105 A 7.87 3.91 1.17 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 0.00 106 F 8.27 3.81 0.00 3.07 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 0.00 107 S 8.38 3.99 0.00 4.08 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.13 3.92 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 0.00 109 M 8.04 3.83 0.00 1.71 2.01 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 110 T 7.57 3.54 4.07 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 0.00 0.00 0.00 1.10 0.00 0.00 111 S 7.84 3.96 0.00 3.82 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.90 3.93 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 A 8.11 3.73 1.18 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 0.00 114 F 8.38 3.80 0.00 2.97 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 0.00 115 N 8.08 4.37 0.00 3.08 3.00 0.00 0.00 7.21 7.69 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 0.00 116 M 8.24 3.92 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 117 G 7.37 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 C 8.59 4.23 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 119 N 8.02 4.25 0.00 2.76 2.83 0.00 0.00 7.13 7.26 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 0.00 120 S 7.89 4.24 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 0.00 121 L 7.49 3.70 0.00 1.65 1.47 0.43 0.20 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 0.00 122 R 7.97 4.21 0.00 2.00 1.83 0.00 2.85 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.90 0.00 123 T 7.32 5.32 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 1.14 0.00 0.00 124 Y 8.68 5.03 0.00 3.13 3.11 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 0.00 125 Y 8.66 4.41 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.68 4.63 0.00 3.59 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.83 3.95 0.00 1.87 1.87 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.55 7.81 128 A 8.03 4.11 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.86 4.29 0.00 1.64 1.85 0.00 3.21 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 130 G 8.24 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 0.00 0.00 0.00 131 M 6.68 4.67 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 132 R 8.59 4.36 0.00 1.68 1.83 0.00 3.15 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 133 V 8.15 4.24 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 0.00 0.00 0.87 0.00 0.00 0.59 0.00 0.00 134 E 8.74 4.48 0.00 2.02 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 2.39 2.25 0.00 135 T 8.74 4.36 4.61 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 1.63 0.00 0.00 136 S 8.89 4.04 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.11 3.98 2.30 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 1.73 1.78 1.14 0.00 0.00 138 H 8.60 4.27 0.00 3.54 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.11 3.93 0.00 1.65 1.57 0.00 1.34 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.58 0.94 7.81 140 W 8.19 4.34 0.00 3.55 3.38 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 0.00 141 A 8.43 4.39 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 0.00 0.00 0.00 0.00 0.00 142 Q 8.03 3.93 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 143 K 7.63 4.24 0.00 1.92 1.88 0.00 1.45 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.39 1.45 7.81 144 G 7.49 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 0.00 0.00 0.00 145 E 7.47 4.09 0.00 2.38 1.81 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 2.46 2.79 0.00 146 W 7.41 4.60 0.00 3.37 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 0.00 147 V 7.83 3.63 2.04 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 1.03 0.00 0.00 0.97 0.00 0.00 148 N 7.87 4.04 0.00 2.24 1.52 0.00 0.00 6.82 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 0.00 149 M 8.35 4.45 0.00 2.57 2.42 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.80 0.00 150 C 8.73 4.34 0.00 3.18 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 0.00 151 N 8.25 4.37 0.00 2.83 2.78 0.00 0.00 7.02 7.77 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 0.00 152 H 8.24 4.72 0.00 3.55 3.66 0.00 5.63 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 0.00 153 L 7.96 4.22 0.00 1.88 1.80 1.00 0.90 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 0.00 154 P 0.00 4.49 0.00 2.02 2.10 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 155 D 8.10 4.23 0.00 2.02 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 0.00 0.00 0.00 0.00 156 F 7.74 4.75 0.00 3.07 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 0.00 157 V 7.45 4.46 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 1.01 0.00 0.00 0.91 0.00 0.00 158 N 8.04 5.31 0.00 2.77 2.80 0.00 0.00 6.71 7.57 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 0.00 159 S 8.63 4.79 0.00 3.91 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 0.00 160 N 10.21 4.13 0.00 2.93 2.91 0.00 0.00 7.26 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 0.00 161 G 9.46 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 0.00 162 V 7.43 4.56 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 0.74 0.00 0.00 0.94 0.00 0.00 163 P 0.00 4.82 0.00 2.02 1.97 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 164 L 8.39 4.66 0.00 1.69 1.43 0.88 0.64 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 0.00 165 R 8.90 3.91 0.00 1.89 1.83 0.00 3.26 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 166 G 7.53 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 0.00 0.00 0.00 167 L 7.36 4.12 0.00 1.97 1.83 1.27 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 168 K 8.09 3.90 0.00 1.93 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 169 I 7.84 3.70 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.67 0.94 0.00 0.00 170 R 8.08 3.95 0.00 2.14 2.06 0.00 3.30 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 171 R 8.46 4.17 0.00 1.88 2.10 0.00 3.65 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 172 E 8.25 3.96 0.00 2.11 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 0.00 2.31 2.40 0.00 173 K 8.35 4.00 0.00 1.99 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.67 7.81 174 E 8.64 3.97 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 175 R 8.35 3.90 0.00 1.95 2.13 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 176 Q 8.08 3.99 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 177 L 8.02 4.08 0.00 1.77 1.83 0.95 0.75 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 0.00 178 C 8.34 4.16 0.00 3.17 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.11 4.21 0.00 1.75 1.70 0.99 0.63 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 0.00 180 T 7.36 4.12 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 181 G 9.19 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 0.00 182 L 7.89 4.58 0.00 1.76 1.78 1.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 183 V 7.31 4.51 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 0.72 0.00 0.00 1.01 0.00 0.00 184 N 8.63 4.36 0.00 2.68 2.74 0.00 0.00 6.98 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 0.00 185 E 9.05 4.03 0.00 1.98 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 2.32 2.38 0.00 *186 H 8.69 4.51 0.00 2.89 2.82 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.