NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.8823 8.3093 119.4821 56.7477 40.3788 174.7147 6 P 4.3414 0.0000 0.0000 60.5663 32.2887 174.2351 7 T 4.5015 9.1330 109.2542 61.6570 72.5709 174.8855 8 R 4.8654 7.7865 121.9882 54.8347 31.9184 175.5414 9 V 4.4455 8.3906 123.5708 61.1081 34.7824 173.5166 10 Y 4.8933 8.2086 124.5600 56.2770 39.9524 175.2880 11 L 4.4347 8.5888 124.6355 53.2446 43.6473 175.4283 12 L 4.9711 8.9337 128.3828 53.0498 43.8636 175.5072 13 R 4.6131 8.7389 128.2364 55.8951 31.4506 175.5791 14 H 4.5481 8.5154 120.7337 55.9112 29.7490 174.8517 15 A 4.5148 8.3224 122.3811 51.2817 19.8910 176.8409 16 K 4.1282 8.6280 120.4976 56.7492 32.8955 176.0407 17 A 4.9140 8.5356 128.9055 50.1809 20.6279 176.4883 18 A 3.9985 8.2260 122.4089 51.7450 19.0496 178.0695 19 W 4.3654 8.2576 116.8176 55.9537 29.1607 175.7593 20 A 4.2823 8.5782 122.5284 51.8243 18.6144 177.0608 21 A 4.6144 8.2909 125.2800 49.7179 20.5411 175.1559 22 P 4.2465 0.0000 0.0000 64.4751 31.6752 177.1242 23 G 3.9637 9.1158 111.4319 45.1456 0.0000 173.0848 24 E 4.4722 7.3204 118.4208 55.1209 31.1483 175.7895 25 R 4.4141 8.1850 119.3128 55.1865 31.4681 177.4496 26 D 4.4257 8.9606 122.1212 57.3812 41.6763 178.1297 27 F 3.8863 8.3880 120.5640 60.7430 39.4138 175.5291 28 D 4.5576 7.9566 118.0522 54.1516 40.9859 176.5693 29 R 3.9218 7.7295 120.1907 56.1861 30.2838 177.0857 30 G 3.9081 8.3573 111.3616 45.5139 0.0000 171.9783 31 L 4.6930 8.3013 120.1360 54.0612 42.7834 176.8666 32 N 4.6298 8.1296 119.4308 51.4804 39.8460 175.7929 33 E 4.1505 8.8240 117.4072 59.6570 29.2970 179.4954 34 A 4.1000 7.9992 120.3785 54.9688 18.4317 179.6358 35 G 3.5159 7.9684 103.7267 48.0005 0.0000 175.6198 36 F 4.3262 8.3636 120.7419 60.1335 38.9379 177.5164 37 A 4.0319 8.2784 120.2644 55.3104 18.2396 179.1218 38 E 3.9114 8.5359 117.1813 60.3050 29.6230 178.9657 39 A 4.0496 8.4042 119.9990 55.8759 18.2322 178.9035 40 E 3.8179 8.4743 115.1724 59.4536 29.8734 179.7221 41 I 3.6454 7.9098 119.5034 64.4846 37.1910 178.6090 42 I 3.7222 7.9551 120.3604 64.1029 36.7614 177.9842 43 A 2.5800 8.1283 120.8842 54.9947 18.2240 179.2134 44 D 4.0773 7.9681 117.0886 57.2615 40.9530 178.4715 45 L 3.7669 7.7556 120.5792 58.3968 41.9484 179.0473 46 A 4.0188 7.8730 119.6688 54.5357 18.3047 179.2057 47 A 3.3245 7.5493 119.6890 54.4008 18.4329 179.3467 48 D 4.1484 7.7232 116.2177 57.3928 41.0008 177.4738 49 R 4.0568 7.2879 114.8135 55.6355 29.8426 176.7608 50 R 4.0165 7.4699 114.5689 57.5840 28.3853 177.3898 51 Y 4.8448 8.1250 116.7318 56.9045 36.3525 175.6629 52 R 3.3115 7.6525 119.6760 53.6865 31.1190 173.8427 53 P 4.6523 0.0000 0.0000 62.1769 33.0006 175.9614 54 D 4.4867 9.7240 122.0858 57.1120 41.3982 175.8870 55 L 5.0839 8.0558 120.1821 53.1286 45.5695 174.5753 56 I 4.4373 9.1282 126.6505 59.3476 40.3824 174.4056 57 L 5.0537 8.2293 125.8335 52.9252 44.8365 175.3841 58 S 4.9791 8.5475 118.1160 55.9378 66.0876 173.2074 59 S 4.9745 9.0979 121.2494 58.4465 62.7048 174.4376 60 T 4.1889 8.9122 113.9934 62.5242 69.8292 174.5771 61 A 2.8205 7.6039 125.2820 51.8927 19.6980 177.6996 62 A 3.7213 7.7267 126.7512 55.5283 18.3091 180.5854 63 R 3.7863 7.6756 113.7307 59.3351 29.6030 178.7734 64 C 4.0700 7.8530 116.8947 62.6646 28.2455 175.6278 65 R 4.1035 7.7411 119.4305 59.9459 29.4578 179.1837 66 Q 4.1343 8.4709 117.4902 59.0760 28.5605 178.9683 67 T 4.0613 7.7255 117.0510 66.8873 68.5019 176.9939 68 T 4.0447 8.2530 117.8715 66.6102 68.4383 176.8258 69 Q 4.3624 8.7883 121.3575 58.3587 28.6798 178.5643 70 A 4.0797 7.9794 121.5566 55.0783 18.4521 179.6980 71 W 4.0325 8.2799 115.9590 60.0342 29.1359 178.4318 72 Q 4.1426 8.4188 118.0331 59.3963 27.9954 179.5516 73 R 4.0111 7.9119 117.8694 59.1489 30.2051 178.1382 74 A 3.9407 7.9606 119.7216 53.2683 18.7888 177.7454 75 F 4.3001 8.5537 116.0521 57.7908 36.9803 178.5761 *78 G 3.9212 9.0191 120.7310 45.7038 0.0000 172.5416 79 I 4.0774 7.4755 120.6577 59.7991 38.4223 174.7655 80 D 4.4038 8.2509 123.6792 54.7558 41.9873 174.9531 81 I 4.8303 8.2827 127.2557 59.4493 39.7397 175.3496 82 V 4.3428 8.7455 127.2775 61.1096 34.7218 173.5681 83 Y 5.0645 8.5979 124.8188 56.4496 39.3672 174.9871 84 I 4.4871 8.6051 124.9663 59.4860 39.5976 176.3585 85 D 5.0826 9.0767 127.3860 57.0597 41.4384 177.8501 86 E 4.1829 7.8657 118.7857 55.6947 27.5344 176.2156 *88 Y 4.2957 7.3972 117.8453 58.0949 39.9049 173.7292 89 N 3.7664 8.2115 125.5029 53.7002 35.1561 172.5152 90 A 4.7403 7.4319 121.6548 49.9808 22.9944 175.9975 91 R 4.4118 7.9213 117.7129 54.8707 31.7040 178.3657 92 S 3.8944 8.3123 115.0421 61.5628 62.7492 176.4258 93 E 3.9655 8.1665 121.8449 59.7550 29.1756 179.2460 94 T 3.9594 7.8792 115.7288 66.6837 68.5014 176.4552 95 Y 4.1537 7.9844 118.1476 61.1713 38.1458 177.7060 96 L 3.9420 7.6683 119.9708 58.2227 41.7208 179.7774 97 S 4.1472 8.2117 114.5397 61.8334 62.6323 176.6744 98 L 3.9637 7.7225 119.8622 58.0194 41.5398 179.6619 99 I 3.8210 7.7511 119.1110 64.3708 36.9060 178.2952 100 A 4.0708 7.8926 119.9439 55.2466 18.2959 179.3062 101 A 4.1193 8.1025 118.1746 54.4414 19.8394 178.4993 102 Q 4.3534 7.7358 119.2422 55.1592 27.2814 177.0294 103 T 4.0661 7.7634 108.8938 63.7342 69.7483 176.0842 104 E 4.7557 8.2305 119.8492 55.6553 30.0108 175.1149 105 V 4.4255 7.6917 119.6932 61.0431 33.9273 175.7567 106 Q 2.7342 8.7460 129.3034 58.3736 29.8318 175.3504 107 S 5.3374 8.0952 113.5289 56.6282 65.9871 173.0021 108 V 5.1074 7.7536 122.7075 58.9749 35.1504 173.3436 *110 L 4.3213 8.3302 118.5320 55.1224 43.3044 176.0074 111 V 4.4656 8.2861 124.8251 61.7199 33.3822 174.3839 112 G 4.1267 8.2882 116.0376 46.6588 0.0000 171.2661 113 H 5.2743 8.5425 116.8847 53.8130 31.4268 173.8087 114 N 4.6360 8.3546 119.6885 52.5045 39.2294 173.8898 115 P 4.3371 0.0000 0.0000 64.5795 32.2333 178.1332 116 T 3.5971 7.0349 112.4904 63.3395 67.1363 174.6142 *118 E 4.2680 8.2978 121.7996 55.9146 31.0808 177.3648 119 A 4.4637 7.7063 119.5624 53.5846 18.8182 179.3077 120 T 3.9564 7.9728 115.1699 66.5054 68.2836 176.6518 121 L 3.9968 7.8201 121.0322 58.0072 42.7500 178.1436 122 E 4.1144 8.1062 119.1939 58.7321 29.2152 178.0060 123 A 4.1619 7.2219 118.5621 52.7386 18.3354 178.1388 *125 I 4.0436 7.7643 114.3105 60.9820 39.7966 176.7809 126 G 4.0356 7.8608 107.1965 45.2620 0.0000 174.0063 127 E 3.8276 9.0137 119.8046 59.6802 29.1789 179.5581 128 D 4.2836 7.9295 119.3046 56.9028 41.0904 178.4645 129 L 4.1598 7.8695 120.0531 58.0392 42.0479 177.9805 130 L 3.9784 8.0272 121.0667 58.2380 41.8320 178.4205 131 H 4.5403 8.2286 116.9584 59.4396 28.8262 176.6898 132 A 3.8782 8.4547 121.8412 55.5555 18.0470 178.8639 133 A 4.2445 8.4524 120.2143 53.0318 19.4748 177.4993 134 L 4.3864 7.9380 117.7837 51.9722 42.2348 174.7581 135 P 4.3913 0.0000 0.0000 65.1453 31.5808 179.4131 136 S 4.6148 7.8062 110.8894 57.8805 63.5195 174.9448 137 G 3.7988 8.0160 110.7419 45.6353 0.0000 172.8385 138 F 4.4185 8.8654 121.9480 56.6013 39.4483 173.9275 139 P 4.7533 0.0000 0.0000 61.8224 32.4566 175.6641 140 T 4.1822 8.3605 109.8339 63.1113 69.1120 173.7511 141 S 4.3088 7.9108 117.2155 58.1976 61.6565 171.8637 142 G 4.0143 8.1810 105.2937 45.0976 0.0000 173.2894 143 L 4.8927 8.9521 127.7531 53.0144 44.1018 174.9836 144 A 4.1761 8.1694 129.7206 51.2799 20.0203 175.9376 145 V 4.2649 8.4094 123.3278 61.2120 33.3757 174.4933 146 L 5.3520 8.5457 128.3941 53.0411 45.2597 175.4222 147 D 5.5124 9.3215 121.5972 52.2293 44.6095 175.2088 148 Q 3.1155 8.8547 124.9481 57.0235 29.2526 174.7161 149 D 4.5034 8.1811 122.6786 55.4865 47.3307 176.1362 *158 R 4.2931 7.4610 117.2243 55.7644 32.5219 173.1929 159 W 5.4222 8.6989 119.1753 55.8962 32.8857 174.8256 160 R 4.6539 9.4094 124.6641 54.5250 32.3243 174.7130 161 L 4.8363 8.4535 127.8255 54.3476 42.0254 176.2139 162 I 4.0222 8.7805 128.7682 64.1770 37.5728 176.0879 163 D 4.8373 7.8292 119.2681 52.9125 45.2414 173.7662 164 F 5.4154 8.5250 123.5841 55.1721 41.7906 173.9014 165 L 4.4496 8.4344 127.2344 54.5529 42.4320 176.1408 166 A 5.0525 8.5561 125.1023 49.7089 21.7444 174.1885 167 P 4.2325 0.0000 0.0000 64.2436 31.9042 177.0123 168 G 4.0366 8.2222 110.2588 45.6321 0.0000 172.9171 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 5 F 8.31 4.88 0.00 3.04 3.22 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 6 P 0.00 4.34 0.00 2.43 2.11 0.00 3.47 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 7 T 9.13 4.50 4.19 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 1.35 0.00 0.00 8 R 7.79 4.87 0.00 1.64 1.55 0.00 3.04 0.00 0.00 3.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 9 V 8.39 4.45 1.49 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 0.77 0.00 0.00 0.62 0.00 0.00 10 Y 8.21 4.89 0.00 2.73 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 11 L 8.59 4.43 0.00 1.72 1.77 0.99 -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 0.00 0.00 0.00 0.00 12 L 8.93 4.97 0.00 1.35 1.39 0.98 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.74 4.61 0.00 1.55 1.98 0.00 2.93 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.37 0.00 14 H 8.52 4.55 0.00 3.39 3.37 0.00 5.51 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 15 A 8.32 4.51 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 16 K 8.63 4.13 0.00 1.81 1.67 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 17 A 8.54 4.91 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 18 A 8.23 4.00 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 19 W 8.26 4.37 0.00 3.31 3.25 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 20 A 8.58 4.28 1.32 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 0.00 0.00 21 A 8.29 4.61 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.25 0.00 2.05 2.02 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 23 G 9.12 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 24 E 7.32 4.47 0.00 2.18 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 2.34 2.30 0.00 25 R 8.19 4.41 0.00 2.16 1.95 0.00 3.20 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 26 D 8.96 4.43 0.00 2.86 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 27 F 8.39 3.89 0.00 2.76 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 28 D 7.96 4.56 0.00 2.87 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 29 R 7.73 3.92 0.00 1.99 1.89 0.00 3.23 0.00 0.00 3.53 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 30 G 8.36 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.30 4.69 0.00 0.27 0.92 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.13 4.63 0.00 2.60 2.74 0.00 0.00 7.21 7.81 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 33 E 8.82 4.15 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 34 A 8.00 4.10 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 35 G 7.97 3.52 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 0.00 0.00 0.00 36 F 8.36 4.33 0.00 3.24 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 37 A 8.28 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 3.91 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 39 A 8.40 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.82 0.00 2.10 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 2.33 0.00 41 I 7.91 3.65 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 1.50 0.61 0.90 0.00 0.00 42 I 7.96 3.72 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.22 1.16 0.00 0.00 43 A 8.13 2.58 0.72 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 0.00 0.00 44 D 7.97 4.08 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 45 L 7.76 3.77 0.00 1.83 1.77 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.87 4.02 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 47 A 7.55 3.32 0.45 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 0.00 0.00 48 D 7.72 4.15 0.00 2.68 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 49 R 7.29 4.06 0.00 0.67 1.39 0.00 3.14 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 50 R 7.47 4.02 0.00 2.07 2.13 0.00 3.31 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 51 Y 8.13 4.84 0.00 3.23 2.87 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 52 R 7.65 3.31 0.00 1.56 1.80 0.00 3.29 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 0.00 53 P 0.00 4.65 0.00 2.30 1.87 0.00 3.33 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.51 0.00 54 D 9.72 4.49 0.00 2.79 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 55 L 8.06 5.08 0.00 1.71 1.41 0.93 1.02 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 56 I 9.13 4.44 1.68 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 1.01 0.38 0.66 0.00 0.00 57 L 8.23 5.05 0.00 1.36 1.37 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.55 4.98 0.00 3.65 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 59 S 9.10 4.97 0.00 4.11 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 60 T 8.91 4.19 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 1.44 0.00 0.00 61 A 7.60 2.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.73 3.72 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 63 R 7.68 3.79 0.00 1.91 2.21 0.00 2.67 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 64 C 7.85 4.07 0.00 3.27 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 65 R 7.74 4.10 0.00 2.04 1.94 0.00 2.88 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.74 0.00 66 Q 8.47 4.13 0.00 2.07 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.68 0.00 67 T 7.73 4.06 4.41 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 1.26 0.00 0.00 68 T 8.25 4.04 4.53 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 1.26 0.00 0.00 69 Q 8.79 4.36 0.00 2.34 2.23 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 2.46 2.62 0.00 70 A 7.98 4.08 1.47 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 71 W 8.28 4.03 0.00 3.63 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 72 Q 8.42 4.14 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 73 R 7.91 4.01 0.00 2.05 2.12 0.00 3.26 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 74 A 7.96 3.94 1.07 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 0.00 0.00 75 F 8.55 4.30 0.00 3.10 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 0.00 0.00 0.00 *78 G 9.02 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 0.00 0.00 0.00 79 I 7.48 4.08 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.92 0.00 0.00 80 D 8.25 4.40 0.00 2.88 2.54 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 0.00 0.00 0.00 0.00 81 I 8.28 4.83 1.83 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 1.12 0.87 0.58 0.00 0.00 82 V 8.75 4.34 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 0.95 0.00 0.00 0.88 0.00 0.00 83 Y 8.60 5.06 0.00 2.94 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 84 I 8.61 4.49 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.98 0.00 0.00 85 D 9.08 5.08 0.00 2.73 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.87 4.18 0.00 2.02 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 2.36 2.28 0.00 *88 Y 7.40 4.30 0.00 3.09 3.34 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 89 N 8.21 3.77 0.00 2.56 2.59 0.00 0.00 6.90 7.35 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 90 A 7.43 4.74 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 91 R 7.92 4.41 0.00 1.82 1.77 0.00 3.11 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 92 S 8.31 3.89 0.00 3.91 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 93 E 8.17 3.97 0.00 2.01 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 2.40 2.40 0.00 94 T 7.88 3.96 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 95 Y 7.98 4.15 0.00 2.90 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 96 L 7.67 3.94 0.00 1.79 1.78 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.21 4.15 0.00 4.18 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 98 L 7.72 3.96 0.00 1.77 1.68 0.88 0.67 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 99 I 7.75 3.82 1.99 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.90 0.00 0.00 100 A 7.89 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 4.12 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 0.00 102 Q 7.74 4.35 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 103 T 7.76 4.07 4.28 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 1.25 0.00 0.00 104 E 8.23 4.76 0.00 1.99 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 2.20 2.28 0.00 105 V 7.69 4.43 2.25 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 0.96 0.00 0.00 0.96 0.00 0.00 106 Q 8.75 2.73 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 107 S 8.10 5.34 0.00 4.02 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 0.00 108 V 7.75 5.11 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 1.02 0.00 0.00 0.85 0.00 0.00 *110 L 8.33 4.32 0.00 1.45 1.30 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.29 4.47 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 0.92 0.00 0.00 0.62 0.00 0.00 112 G 8.29 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.54 5.27 0.00 3.17 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.35 4.64 0.00 2.64 2.69 0.00 0.00 6.99 8.02 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 0.00 115 P 0.00 4.34 0.00 2.21 2.23 0.00 3.34 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 1.98 2.00 0.00 116 T 7.03 3.60 3.78 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 0.59 0.00 0.00 *118 E 8.30 4.27 0.00 2.18 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 2.34 2.49 0.00 119 A 7.71 4.46 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 0.00 120 T 7.97 3.96 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 0.00 121 L 7.82 4.00 0.00 1.86 1.82 1.09 0.93 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 0.00 122 E 8.11 4.11 0.00 2.03 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 2.30 2.30 0.00 123 A 7.22 4.16 1.32 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 0.00 0.00 *125 I 7.76 4.04 1.91 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 1.68 0.67 0.97 0.00 0.00 126 G 7.86 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 0.00 127 E 9.01 3.83 0.00 2.17 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 2.37 2.43 0.00 128 D 7.93 4.28 0.00 2.71 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 0.00 129 L 7.87 4.16 0.00 1.68 1.67 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.03 3.98 0.00 1.88 1.68 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.23 4.54 0.00 3.16 3.33 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.45 3.88 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 0.00 133 A 8.45 4.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.94 4.39 0.00 1.45 1.55 0.54 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.39 0.00 2.01 2.09 0.00 3.57 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 1.99 2.04 0.00 136 S 7.81 4.61 0.00 3.96 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 0.00 137 G 8.02 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 0.00 0.00 0.00 138 F 8.87 4.42 0.00 3.15 2.93 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 0.00 139 P 0.00 4.75 0.00 2.38 2.23 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 140 T 8.36 4.18 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 141 S 7.91 4.31 0.00 4.11 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 0.00 142 G 8.18 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 0.00 143 L 8.95 4.89 0.00 1.86 1.56 0.85 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.17 4.18 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 0.00 145 V 8.41 4.26 1.82 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 0.41 0.00 0.00 0.69 0.00 0.00 146 L 8.55 5.35 0.00 1.46 1.56 0.75 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 D 9.32 5.51 0.00 2.54 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 0.00 148 Q 8.85 3.12 0.00 1.67 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 1.88 1.42 0.00 149 D 8.18 4.50 0.00 2.61 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 *158 R 7.46 4.29 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 159 W 8.70 5.42 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 9.41 4.65 0.00 1.82 1.79 0.00 3.44 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 161 L 8.45 4.84 0.00 1.72 1.63 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.78 4.02 1.96 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 1.14 0.72 0.98 0.00 0.00 163 D 7.83 4.84 0.00 2.87 2.50 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 0.00 0.00 0.00 0.00 164 F 8.52 5.42 0.00 3.00 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 0.00 165 L 8.43 4.45 0.00 1.72 1.69 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.56 5.05 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 0.00 167 P 0.00 4.23 0.00 2.11 2.17 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 168 G 8.22 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 * Residues marked with a * may have inaccurate shift predictions.