NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1840 8.3149 121.7932 56.3692 33.4755 175.1575 *4 N 4.7305 8.5464 117.1815 52.9792 40.2641 175.8360 5 V 3.6331 7.4260 118.6158 61.8093 32.2600 176.3553 6 E 4.1191 8.6633 126.5220 59.5593 29.5872 179.2309 7 S 4.2977 7.8333 114.2067 60.7388 63.0008 175.9008 8 F 4.8006 7.6968 120.5082 59.5303 38.7608 176.0566 9 N 4.7982 8.0296 114.6689 52.0351 39.0646 174.2564 10 L 4.3692 7.1988 123.1843 53.6551 43.3462 176.1355 11 D 4.6583 8.4361 125.6625 53.3786 39.8583 176.0580 12 H 4.2656 8.7803 123.8142 58.2389 28.9387 176.7192 13 T 4.3179 7.8818 107.3488 62.1458 69.1629 175.2008 14 K 4.5147 8.3368 120.9742 56.2848 33.2887 175.9617 15 V 4.4401 7.5701 112.0704 59.5541 33.5143 175.5093 16 K 4.6690 8.7379 122.6174 54.3471 33.3926 175.9394 17 A 4.4949 8.9283 128.8580 51.3702 19.0269 175.0826 18 P 4.8815 0.0000 0.0000 62.7675 33.1193 174.5796 19 Y 4.9026 7.8289 116.6618 56.6581 41.7521 172.8736 20 V 4.9425 9.1900 121.0139 61.3949 33.6031 174.6382 21 R 4.7776 9.5870 128.8450 54.3639 33.1471 174.7872 22 I 4.0948 8.5573 126.2695 61.7941 36.3850 175.1366 23 A 4.4251 8.5903 130.2220 53.9387 19.9463 176.5042 24 D 4.5509 7.4375 111.8861 53.7224 44.6672 174.7046 25 R 5.1981 8.3056 120.4375 54.7651 34.4729 174.7014 26 K 4.6806 8.8956 120.1519 55.0032 37.2416 174.9638 27 K 5.0255 8.4759 124.0062 54.3474 34.9536 176.2247 28 G 3.9011 9.0270 117.0218 45.1125 0.0000 174.5709 29 V 3.6836 8.1872 118.2218 64.0155 31.5012 176.8163 30 N 4.5994 7.8836 115.7358 52.7453 38.8556 175.1927 31 G 4.0961 7.8029 106.4034 45.4126 0.0000 174.4459 32 D 4.6540 8.2469 120.5376 54.6015 41.8675 175.3249 33 L 4.9943 8.8449 125.2093 53.9442 44.7340 175.2934 34 I 5.0424 8.5576 124.4016 59.7603 41.3513 174.2423 35 V 4.7297 8.6941 127.0882 60.7550 34.5746 173.9321 36 K 5.0800 8.9333 128.8369 54.8186 34.9342 174.0030 37 Y 5.3303 9.6340 125.6337 56.3604 41.1256 174.5557 38 D 4.8844 9.8948 125.3006 53.4883 42.1368 175.5076 39 V 4.6777 8.5150 127.9106 60.0423 32.9018 174.6057 40 R 4.3234 8.2804 128.4375 55.7173 30.2404 176.5878 41 F 4.3809 9.0782 125.4416 58.6120 40.2290 176.4141 42 K 4.7604 8.3684 116.8147 53.9319 35.6091 176.5149 43 Q 4.0268 8.6970 124.5955 55.4137 29.3734 173.9025 44 P 4.4009 0.0000 0.0000 64.5586 31.7241 175.5416 45 N 4.3311 9.0795 118.0355 54.1795 36.1304 174.9463 46 R 4.5857 7.7355 115.1870 55.6009 32.3417 174.4151 47 D 4.5777 7.7722 114.6523 54.5602 44.7053 175.4061 48 H 4.5212 7.9382 121.9693 55.4258 33.8889 173.8712 *50 D 4.5290 8.3957 117.1714 52.5652 39.7221 175.6306 *52 P 4.3142 0.0000 0.0000 62.5705 33.6030 178.8575 53 S 4.1457 7.8684 113.4106 61.2830 62.5931 176.5011 54 L 4.0193 8.0205 123.1818 58.3310 41.9796 178.4563 55 H 4.2510 8.1279 117.7090 59.5896 29.8211 177.3055 56 S 4.1725 8.1172 116.9659 61.4446 62.6080 176.4580 57 L 3.9262 8.2177 123.2291 57.6937 41.7901 178.4205 58 E 4.3057 8.5930 119.5968 59.8674 29.7559 178.2585 59 H 4.1296 8.2614 115.5507 59.1177 28.8464 177.4216 60 L 3.8776 8.0639 120.3282 58.1641 41.5029 179.9868 61 V 3.1913 7.6804 117.5154 65.6655 31.0487 177.8146 62 A 3.7864 7.4781 119.6634 54.9414 18.6142 178.8775 63 E 4.0220 7.9352 117.1595 59.2016 29.9496 178.8004 64 I 3.6980 7.9364 120.2681 64.3629 37.1478 178.3052 65 I 3.6652 7.9922 119.6776 63.3618 37.8981 177.3414 66 R 4.1079 7.2650 115.7769 57.1684 30.0417 176.9199 67 N 4.4592 7.8081 115.3886 54.7610 38.8878 175.5493 68 H 4.6320 7.6884 112.9456 55.4993 29.9080 173.5059 69 A 4.4456 7.2755 120.6208 50.8859 21.9703 176.0102 70 N 4.8290 7.6533 111.9341 53.8710 38.3736 174.1317 71 Y 4.8680 7.0698 114.6000 57.0825 39.9081 174.4076 72 V 4.3154 7.6860 120.4134 63.0577 31.6052 175.7957 73 V 4.0420 9.0873 129.1151 65.4549 32.3736 175.5933 74 D 4.6517 7.7224 116.2869 53.0936 44.6005 174.5015 75 W 5.3162 9.0713 134.1344 55.9449 32.5089 174.0990 76 S 4.9021 8.8527 123.8487 55.5677 65.5233 172.9205 77 P 4.0348 0.0000 0.0000 62.5515 30.8669 177.5979 *79 G 3.8991 8.6048 103.6877 45.3693 0.0000 172.7683 80 C 4.2123 7.8726 112.9565 58.1179 30.2382 174.0355 81 Q 3.4301 7.8998 118.0818 57.3424 25.7294 173.9787 82 T 4.4354 6.8839 104.9947 61.6361 70.5503 173.2432 83 G 3.8362 6.8680 106.5449 45.9345 0.0000 172.0927 84 F 4.6639 8.7653 117.3916 55.7490 43.7761 173.5646 85 Y 5.1327 9.0764 119.0977 56.2535 40.4147 174.6137 86 L 5.3119 9.1715 126.2668 53.8150 44.7632 174.8799 87 T 5.2697 9.2396 123.6711 62.0097 71.2026 174.0224 88 V 5.1264 9.2502 118.8113 59.4949 36.1482 174.0753 89 L 5.0829 8.8308 124.7812 53.9934 44.0030 176.1831 90 N 4.1433 8.8574 124.2171 54.0098 36.7997 174.7915 91 H 4.5150 7.9126 115.7882 55.1248 32.8480 172.5603 92 D 4.9035 8.3171 127.0567 52.1524 41.0871 176.2681 93 N 4.8425 7.4381 117.5963 50.6738 40.6879 172.3468 94 Y 4.3427 8.6195 127.9053 60.8403 39.1552 177.6432 95 T 3.6866 8.0299 115.9391 66.7652 68.5638 176.1575 96 E 4.0157 8.4002 120.3199 59.4413 29.3766 179.4551 97 I 3.6948 7.5995 119.2773 64.4191 37.0667 178.3720 98 L 4.0725 7.4945 119.2582 57.9178 41.4516 179.5370 99 E 3.9593 8.0945 118.1935 59.3967 29.4336 179.5562 100 V 3.5967 8.1743 118.6536 66.0815 31.3726 178.1283 101 L 4.1354 8.0534 117.8927 57.5425 41.4657 178.8645 102 E 4.4069 8.4067 118.9833 59.2355 29.9520 178.7303 103 K 4.2797 8.6130 118.8087 59.7294 31.7503 180.0409 104 T 3.6223 8.0253 113.7048 64.6612 68.5635 175.8895 *106 Q 4.3199 8.0334 122.1054 56.2097 30.9484 177.4897 107 D 4.3687 8.1215 117.6011 57.1739 40.5806 178.8978 108 V 3.6049 7.9240 118.9273 65.8686 31.2445 177.8282 109 L 4.1355 7.5515 117.4891 56.4074 41.6469 178.2742 110 K 4.3186 7.6905 116.3359 55.2812 32.9697 176.6977 111 A 4.1201 7.0474 123.3692 52.3079 18.7919 177.6706 112 K 4.3965 8.4927 120.2230 56.9143 33.4028 176.3635 113 E 4.6350 7.5653 114.4454 54.4852 32.3726 174.5052 114 V 3.8555 8.0879 120.3175 61.2169 32.0839 174.1446 115 P 4.2397 0.0000 0.0000 63.7703 31.7789 175.6760 116 A 3.7015 8.5290 122.6714 53.5337 16.2578 178.2516 117 S 4.5121 7.9403 112.1235 59.1154 62.6915 172.1953 118 N 5.1583 7.4161 117.1073 51.5640 40.8540 175.4674 119 E 4.1841 8.7168 117.3532 58.6185 29.7379 178.6761 120 K 4.2178 8.2032 117.4838 58.0919 32.5184 177.4958 121 Q 4.6571 8.2124 114.5496 55.4006 29.6200 174.7117 122 C 4.9061 7.9745 117.6475 57.6569 34.6812 174.3560 123 G 3.8624 8.8681 114.1751 47.4133 0.0000 174.0754 124 W 5.4205 7.9021 129.0965 55.6818 31.1599 174.3358 125 A 4.0925 8.4377 123.9882 55.1862 18.4769 179.3903 126 A 4.0946 8.1222 117.2788 54.8875 18.9794 177.7409 127 N 4.1282 7.0139 116.0276 52.0930 36.9288 173.0928 128 H 4.8322 7.1334 116.9451 53.6554 33.7739 173.9639 129 T 4.0781 8.6048 111.4997 60.2172 70.3917 173.5095 130 L 3.8705 8.3134 130.9233 58.1960 42.2966 178.1186 131 E 3.9978 8.2330 118.8548 59.2811 29.5770 178.5822 132 G 4.1880 8.3088 106.7268 47.3063 0.0000 175.3303 133 A 4.0490 7.9858 123.5246 54.9769 18.3607 179.8089 134 Q 4.0663 8.5025 116.7266 58.8851 28.6800 178.6950 135 N 4.4288 8.3451 118.1160 56.1795 38.5963 177.4388 136 L 4.2335 8.0019 119.9323 57.6116 41.7242 179.3577 137 A 4.2887 8.2298 121.0056 55.0557 18.2495 179.7422 138 R 3.8737 8.4260 117.1961 59.4426 30.1088 178.4312 139 A 4.1637 8.0852 120.5972 55.3948 18.2321 179.0706 140 F 4.1623 8.2549 117.5391 61.7794 39.5788 177.1308 141 L 4.2513 8.3305 118.3168 58.0036 41.2482 179.0102 142 D 4.3857 8.3024 118.0838 56.8392 40.8937 178.0213 143 K 4.4256 7.5814 117.7692 56.1545 32.9057 178.4557 144 R 2.0000 7.4245 121.9345 59.0754 29.5376 177.8114 145 A 3.9199 7.5494 117.2984 54.1166 18.6253 178.1175 146 E 4.3501 8.0246 116.4208 57.0196 30.0494 177.9835 147 W 4.7622 7.9490 119.9961 59.6873 28.9250 177.4371 148 S 4.9825 8.0583 109.2179 57.9219 63.1308 173.8897 149 E 4.5011 8.3750 122.2873 55.0011 29.1645 175.6322 150 V 3.4234 8.1577 124.9378 64.8382 32.2110 176.4604 151 G 3.7301 7.8514 111.9927 45.7294 0.0000 173.1006 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 1.75 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.64 7.81 *4 N 8.55 4.73 0.00 2.80 2.88 0.00 0.00 6.83 7.68 0.00 0.00 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 V 7.43 3.63 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 0.00 0.00 0.19 0.00 0.00 0.61 0.00 0.00 6 E 8.66 4.12 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 2.33 2.29 0.00 7 S 7.83 4.30 0.00 4.27 4.35 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 8 F 7.70 4.80 0.00 3.13 3.04 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 9 N 8.03 4.80 0.00 2.87 2.88 0.00 0.00 6.85 7.46 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 10 L 7.20 4.37 0.00 1.65 1.83 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.44 4.66 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.78 4.27 0.00 3.19 3.44 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.88 4.32 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 1.24 0.00 0.00 14 K 8.34 4.51 0.00 1.93 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.49 7.81 15 V 7.57 4.44 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 1.17 0.00 0.00 16 K 8.74 4.67 0.00 1.70 1.76 0.00 1.85 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 1.43 1.42 7.81 17 A 8.93 4.49 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 18 P 0.00 4.88 0.00 2.08 2.14 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 19 Y 7.83 4.90 0.00 3.24 3.16 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 0.00 0.00 0.00 20 V 9.19 4.94 2.33 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 0.97 0.00 0.00 0.83 0.00 0.00 21 R 9.59 4.78 0.00 1.89 2.17 0.00 3.09 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 22 I 8.56 4.09 1.78 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 1.50 0.49 0.78 0.00 0.00 23 A 8.59 4.43 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 24 D 7.44 4.55 0.00 2.66 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 0.00 0.00 0.00 0.00 25 R 8.31 5.20 0.00 1.62 1.70 0.00 3.21 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 26 K 8.90 4.68 0.00 1.63 1.60 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.33 7.81 27 K 8.48 5.03 0.00 1.69 1.62 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.65 7.81 28 G 9.03 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 0.00 0.00 0.00 29 V 8.19 3.68 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 0.76 0.00 0.00 0.93 0.00 0.00 30 N 7.88 4.60 0.00 2.73 2.89 0.00 0.00 7.12 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 31 G 7.80 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 0.00 0.00 0.00 0.00 32 D 8.25 4.65 0.00 2.62 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 33 L 8.84 4.99 0.00 1.79 1.52 0.91 0.83 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 34 I 8.56 5.04 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.91 0.00 0.00 35 V 8.69 4.73 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 0.35 0.00 0.00 0.90 0.00 0.00 36 K 8.93 5.08 0.00 1.71 1.49 0.00 1.21 0.00 0.00 0.71 0.00 0.00 2.64 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.37 7.81 37 Y 9.63 5.33 0.00 3.05 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 38 D 9.89 4.88 0.00 2.95 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 39 V 8.51 4.68 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 1.03 0.00 0.00 1.04 0.00 0.00 40 R 8.28 4.32 0.00 1.07 0.66 0.00 3.08 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.52 0.00 41 F 9.08 4.38 0.00 3.02 3.16 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 0.00 0.00 0.00 42 K 8.37 4.76 0.00 1.58 1.71 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.41 7.81 43 Q 8.70 4.03 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 44 P 0.00 4.40 0.00 2.18 2.13 0.00 3.99 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 2.19 2.24 0.00 45 N 9.08 4.33 0.00 2.88 2.90 0.00 0.00 6.86 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 46 R 7.74 4.59 0.00 1.88 1.93 0.00 3.27 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 47 D 7.77 4.58 0.00 2.59 2.51 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 48 H 7.94 4.52 0.00 3.30 2.72 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 D 8.40 4.53 0.00 2.89 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 *52 P 0.00 4.31 0.00 2.12 2.00 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 53 S 7.87 4.15 0.00 4.16 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 54 L 8.02 4.02 0.00 1.74 1.69 0.67 0.64 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 55 H 8.13 4.25 0.00 3.11 3.30 0.00 5.74 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 56 S 8.12 4.17 0.00 4.05 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 57 L 8.22 3.93 0.00 1.94 1.84 0.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.59 4.31 0.00 2.51 2.43 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 2.57 2.63 0.00 59 H 8.26 4.13 0.00 3.41 3.42 0.00 5.71 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 60 L 8.06 3.88 0.00 1.60 1.63 0.92 0.69 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 61 V 7.68 3.19 0.98 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 -0.87 0.00 0.00 0.46 0.00 0.00 62 A 7.48 3.79 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 63 E 7.94 4.02 0.00 2.03 1.86 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 2.22 2.28 0.00 64 I 7.94 3.70 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 1.34 0.81 0.93 0.00 0.00 65 I 7.99 3.67 1.55 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.80 0.00 0.00 66 R 7.27 4.11 0.00 1.86 1.87 0.00 3.29 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 67 N 7.81 4.46 0.00 2.66 2.65 0.00 0.00 6.83 7.50 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 68 H 7.69 4.63 0.00 3.21 3.27 0.00 5.60 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 69 A 7.28 4.45 0.22 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 70 N 7.65 4.83 0.00 2.75 2.78 0.00 0.00 5.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.07 4.87 0.00 3.23 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 72 V 7.69 4.32 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 0.88 0.00 0.00 0.80 0.00 0.00 73 V 9.09 4.04 2.27 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 0.81 0.00 0.00 1.00 0.00 0.00 74 D 7.72 4.65 0.00 2.86 2.51 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 75 W 9.07 5.32 0.00 3.35 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 76 S 8.85 4.90 0.00 3.80 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 77 P 0.00 4.03 0.00 1.91 1.82 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 *79 G 8.60 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 0.00 0.00 0.00 80 C 7.87 4.21 0.00 3.08 3.16 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 0.00 0.00 0.00 81 Q 7.90 3.43 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 82 T 6.88 4.44 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 83 G 6.87 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 84 F 8.77 4.66 0.00 1.74 1.57 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 85 Y 9.08 5.13 0.00 2.72 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 86 L 9.17 5.31 0.00 2.17 1.89 1.28 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 87 T 9.24 5.27 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 1.25 0.00 0.00 88 V 9.25 5.13 2.33 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 1.03 0.00 0.00 1.27 0.00 0.00 89 L 8.83 5.08 0.00 1.67 1.63 0.99 1.39 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 90 N 8.86 4.14 0.00 2.88 2.84 0.00 0.00 6.73 8.98 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 91 H 7.91 4.51 0.00 2.63 2.94 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.32 4.90 0.00 2.62 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 93 N 7.44 4.84 0.00 2.55 2.43 0.00 0.00 6.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.62 4.34 0.00 3.20 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 95 T 8.03 3.69 4.37 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 1.19 0.00 0.00 96 E 8.40 4.02 0.00 2.28 2.12 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 2.37 2.60 0.00 97 I 7.60 3.69 1.73 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 1.76 0.40 0.49 0.00 0.00 98 L 7.49 4.07 0.00 1.78 1.81 0.59 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.09 3.96 0.00 2.14 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 2.56 2.45 0.00 100 V 8.17 3.60 2.24 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 0.91 0.00 0.00 1.08 0.00 0.00 101 L 8.05 4.14 0.00 2.01 1.73 0.87 1.11 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 0.00 102 E 8.41 4.41 0.00 1.97 2.27 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 2.30 2.33 0.00 103 K 8.61 4.28 0.00 1.75 1.59 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.64 7.81 104 T 8.03 3.62 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 *106 Q 8.03 4.32 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 107 D 8.12 4.37 0.00 2.84 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 0.00 108 V 7.92 3.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 109 L 7.55 4.14 0.00 1.75 1.73 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.69 4.32 0.00 1.85 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.59 7.81 111 A 7.05 4.12 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 0.00 112 K 8.49 4.40 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 113 E 7.57 4.64 0.00 1.98 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 2.15 2.26 0.00 114 V 8.09 3.86 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 0.67 0.00 0.00 0.86 0.00 0.00 115 P 0.00 4.24 0.00 2.26 2.01 0.00 3.91 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 1.98 1.92 0.00 116 A 8.53 3.70 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.94 4.51 0.00 3.81 3.47 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 0.00 118 N 7.42 5.16 0.00 2.92 2.92 0.00 0.00 6.12 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 0.00 119 E 8.72 4.18 0.00 2.02 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 2.38 0.00 120 K 8.20 4.22 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 121 Q 8.21 4.66 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 122 C 7.97 4.91 0.00 3.19 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 0.00 123 G 8.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 W 7.90 5.42 0.00 3.30 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 0.00 125 A 8.44 4.09 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 0.00 126 A 8.12 4.09 1.39 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 0.00 127 N 7.01 4.13 0.00 1.44 1.79 0.00 0.00 6.97 7.91 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 0.00 128 H 7.13 4.83 0.00 3.01 3.00 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.60 4.08 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 1.20 0.00 0.00 130 L 8.31 3.87 0.00 1.76 1.62 0.86 0.88 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 0.00 131 E 8.23 4.00 0.00 2.07 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 2.39 2.39 0.00 132 G 8.31 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 0.00 0.00 0.00 0.00 133 A 7.99 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 0.00 134 Q 8.50 4.07 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 135 N 8.35 4.43 0.00 2.96 2.91 0.00 0.00 6.88 6.36 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 0.00 136 L 8.00 4.23 0.00 1.94 1.95 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.23 4.29 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 0.00 138 R 8.43 3.87 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 139 A 8.09 4.16 1.52 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 0.00 140 F 8.25 4.16 0.00 2.86 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 0.00 141 L 8.33 4.25 0.00 2.15 1.73 1.02 1.17 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 0.00 142 D 8.30 4.39 0.00 2.78 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 0.00 143 K 7.58 4.43 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.43 7.81 144 R 7.42 2.00 0.00 1.10 1.41 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.08 0.00 145 A 7.55 3.92 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 0.00 146 E 8.02 4.35 0.00 2.28 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 2.29 2.32 0.00 147 W 7.95 4.76 0.00 3.39 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 0.00 148 S 8.06 4.98 0.00 4.22 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 0.00 149 E 8.38 4.50 0.00 2.07 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 2.29 2.27 0.00 150 V 8.16 3.42 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 0.07 0.00 0.00 0.75 0.00 0.00 151 G 7.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.