NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4070 8.1927 115.2925 58.1085 63.9645 174.3624 5 V 3.4138 8.3222 126.5752 65.1809 31.3207 176.8778 6 K 4.0013 8.7496 118.9841 59.3209 32.6911 177.8414 7 E 4.1012 8.0738 118.5005 59.4836 29.6678 179.0538 8 S 4.1132 8.0249 113.1527 61.5001 62.2813 176.3922 9 V 3.5180 7.8747 120.7810 65.7904 30.9816 177.9599 10 S 4.3523 7.5318 113.4523 60.4894 62.8403 175.1036 11 R 4.3012 7.5614 118.2108 56.3881 30.4196 176.4883 12 I 4.0626 7.0978 119.1254 59.8727 37.6304 174.1456 13 P 4.4342 0.0000 0.0000 62.1485 31.8187 176.5366 14 L 4.4292 8.4385 122.7140 54.9521 42.5490 176.4611 15 L 4.7322 8.6203 121.7584 53.4046 44.0758 176.8777 16 K 4.2517 9.4168 117.5887 58.5442 34.3597 176.9314 17 T 4.0767 7.7764 114.2045 63.3315 68.8257 175.1739 18 K 4.2996 8.3600 127.5605 54.5140 31.0370 174.2645 19 A 4.7490 8.0707 124.3009 49.8313 22.7068 176.2691 20 G 4.0129 9.3670 111.2444 42.7012 0.0000 172.6863 21 P 2.9700 0.0000 0.0000 64.8565 31.3341 177.7959 22 R 4.3814 7.4855 113.9666 56.1444 30.5414 177.6583 23 D 4.3891 7.8155 118.4746 55.8136 42.5259 176.5529 24 G 4.1938 7.5102 102.4393 44.4091 0.0000 177.3177 25 D 4.5853 9.0709 128.8959 55.9438 40.5857 177.3228 26 K 4.0047 8.1314 120.2951 59.1930 32.1843 178.4702 27 W 4.5586 8.2512 128.6133 60.6175 30.4270 177.9778 28 T 3.5602 8.0521 109.7958 64.5516 67.9129 176.3190 29 A 4.0296 8.2036 123.7604 55.0282 18.2920 179.6507 30 R 3.8077 7.7856 116.9653 59.3419 30.2227 178.4449 31 L 3.3116 7.7633 120.6637 57.6931 41.8659 179.1810 32 K 4.1621 8.0200 118.6506 59.4373 31.9028 179.1836 33 E 4.0056 7.8865 118.7490 59.1349 29.2725 178.9462 34 E 3.9151 8.3264 119.6393 59.6555 29.6717 178.4184 35 Y 4.4874 7.8054 116.4091 61.0922 37.9658 178.5390 36 A 4.0693 8.3170 121.6277 55.3252 18.5469 179.4777 37 S 4.0845 8.3814 111.5934 61.7002 62.4738 176.2975 38 L 4.2603 8.2596 121.6178 58.0784 41.4083 179.6994 39 I 3.7928 8.2933 119.9238 64.7617 37.0792 178.6738 40 T 3.8650 7.9955 116.5382 66.6097 68.1764 176.1218 41 Y 4.4243 8.3113 121.4928 60.8850 38.8951 178.2357 42 V 3.2552 8.0143 119.1717 65.8634 31.5098 177.6299 43 E 3.8830 8.1106 118.1968 59.8916 29.4534 179.0829 44 H 4.2828 8.1431 115.8871 58.9555 28.7105 177.4058 45 N 4.3631 8.3681 118.3321 56.4526 38.5049 177.3818 46 K 3.8943 8.4068 119.6768 59.6623 32.0185 179.3387 47 A 4.1637 8.1209 119.0186 54.2144 18.2838 178.7393 48 S 4.5440 7.5572 111.2327 57.1011 64.0068 173.4440 49 D 4.4649 8.0022 119.7893 55.6696 39.5873 174.0673 50 S 4.7803 8.6205 108.8878 58.4085 65.3646 174.2671 51 H 4.2066 8.6204 120.9922 56.8298 29.9414 174.7727 52 W 4.0271 7.6883 121.3406 55.1186 30.1833 173.9368 53 F 4.3914 5.7512 111.5969 56.5311 39.5957 172.4992 54 H 5.0514 9.1410 119.9651 54.5612 32.9285 172.1319 55 L 5.2413 8.5145 123.9259 53.0604 45.5942 175.1125 56 E 4.6438 8.9041 122.6263 54.3577 33.6226 174.1468 57 S 4.6141 7.7102 116.1805 55.8982 66.3190 173.3674 58 N 4.6698 8.5403 118.9032 51.6984 38.1564 174.3054 59 P 4.2232 0.0000 0.0000 65.9056 31.2324 178.1714 60 Q 4.1910 8.1793 112.9598 56.6901 28.9633 176.2504 61 G 3.9232 8.1725 106.9967 46.9589 0.0000 174.3887 62 T 4.5942 7.9036 109.8260 61.9039 70.6113 174.0337 63 R 4.9063 8.0180 122.9971 54.7486 33.2075 173.4389 64 W 5.1338 9.0655 126.9311 55.2246 32.5919 174.3698 65 Y 4.9109 7.6317 119.2965 55.5861 40.8053 174.8955 66 G 4.3961 7.9049 107.2328 46.6409 0.0000 171.4343 67 T 5.3350 8.3790 112.9672 60.5066 73.0703 173.1280 68 C 5.3155 9.5386 116.3208 57.0255 33.4645 172.6227 69 W 6.1545 8.2692 116.3519 56.0698 31.4638 173.1891 70 T 4.7319 8.4626 112.9015 61.7940 70.3013 171.1445 71 Y 5.4673 8.7497 122.0670 56.7244 40.8985 175.1057 72 Y 4.8448 9.4046 122.6236 57.9329 42.4228 175.0145 73 K 3.8572 8.9582 126.6626 58.1428 29.8781 174.0012 74 N 4.3324 8.2894 108.0020 54.6574 36.7227 174.3429 75 E 4.8281 8.2723 114.8971 54.4276 33.9817 175.1378 76 K 4.3669 8.2838 123.4254 54.9621 34.1633 175.0272 77 Y 4.4717 8.3918 124.4812 56.1924 40.8388 173.9168 78 E 5.0403 8.4571 125.4287 54.3479 31.7792 174.9541 79 F 5.3919 9.4400 124.6856 55.6874 42.8103 174.4444 80 E 4.8033 9.2402 123.4008 55.8724 31.2944 174.9243 *82 N 4.8955 8.4719 119.2306 53.1332 39.1858 173.0753 83 F 5.2112 8.5553 113.5233 56.2585 41.5056 172.7538 84 D 5.4078 8.7778 120.0250 53.1448 43.0060 175.8798 85 I 4.1191 8.2829 122.5071 59.7856 38.1094 174.7267 86 P 4.4253 0.0000 0.0000 62.1158 32.0465 177.6077 87 V 3.5398 8.3051 120.7115 66.2207 31.7575 177.3300 88 T 4.1404 7.8321 108.0308 62.4604 69.0989 173.6498 89 Y 4.5959 7.7410 124.8982 58.1509 39.0429 174.4814 90 P 3.8780 0.0000 0.0000 62.4023 31.9617 176.4552 91 Q 4.0842 8.2720 119.2618 58.9717 28.7064 176.6027 92 A 4.6844 7.8515 119.5008 49.6823 20.3235 175.1210 93 P 3.9752 0.0000 0.0000 61.2232 32.1129 174.5759 94 P 4.2249 0.0000 0.0000 62.7443 31.8421 176.0666 95 E 4.2805 8.2678 119.5418 54.8201 29.5202 175.7038 96 I 4.3059 7.8255 125.5001 60.7443 38.5025 174.9756 97 A 5.0147 8.9606 128.9606 49.9957 21.3366 176.5870 98 L 4.9185 8.2277 120.4772 50.5462 41.2224 175.3848 99 P 4.1983 0.0000 0.0000 65.5653 31.9978 178.8720 100 E 4.0323 8.2154 116.3085 58.9409 29.7503 177.4594 101 L 4.3357 8.2038 117.6117 54.4805 41.9592 175.8407 102 E 4.1760 7.6319 121.5714 57.2465 29.8100 176.9660 103 G 3.9432 9.0771 114.9034 45.1176 0.0000 173.6763 104 K 3.3170 7.3209 116.9810 56.3248 33.3290 176.3244 105 T 4.5675 7.1880 111.8486 60.4341 70.1717 173.9107 106 V 3.7925 8.2919 120.3437 63.2165 32.3866 177.3708 107 K 4.1615 7.6818 122.0278 54.8664 30.6187 175.1722 *109 Y 4.5725 7.4181 119.0684 57.1696 39.4389 175.0938 110 R 4.2386 8.5261 121.2201 57.8783 30.1278 175.4337 111 G 3.4084 9.2275 116.5342 44.8763 0.0000 173.9344 112 G 4.0009 8.2455 107.7494 45.0574 0.0000 173.7679 113 K 4.5893 7.9661 120.3174 56.2157 32.4328 177.1368 114 I 3.6701 8.3393 119.6095 60.9935 38.2674 175.0536 115 C 4.5833 8.5157 124.6474 58.1271 33.9211 172.6209 *117 T 4.1740 8.0967 114.6359 61.6453 68.1850 174.1358 118 T 4.1811 8.7047 121.6055 66.1245 67.2432 175.3178 119 H 4.5638 8.1514 117.1892 57.8292 28.7351 177.1797 120 F 4.1060 8.2919 123.3167 61.2519 39.1086 177.0773 121 F 4.2273 7.6279 116.6370 59.9505 38.4274 175.8445 122 P 4.3795 0.0000 0.0000 65.1360 31.1055 178.3621 123 L 3.9113 7.4020 119.7068 57.7237 42.4744 178.2245 124 W 4.0915 8.3979 128.3842 60.5548 30.1060 177.7128 125 A 4.0181 8.2675 120.8757 55.1324 17.5963 179.7104 126 R 3.8994 7.5057 113.1199 58.4629 29.9059 177.7395 127 N 4.3311 7.1919 115.4656 51.5693 38.5890 174.6849 128 V 3.3720 6.3424 121.1206 62.2104 30.8167 173.8562 129 P 4.3837 0.0000 0.0000 62.5805 31.6647 176.8606 130 Y 4.9326 6.9914 118.5619 60.3038 37.9597 176.2692 131 F 4.8830 6.7784 117.8912 56.2296 40.7720 175.8651 132 G 4.8588 8.1633 110.1099 43.9650 0.0000 172.4899 133 I 3.5258 9.1223 119.0336 64.5297 36.9809 177.8962 134 S 4.1117 8.1558 114.3836 62.2581 62.4905 176.4162 135 H 3.9929 8.0499 119.6291 58.0030 28.3613 178.0289 136 V 3.9370 8.0504 121.2330 64.5264 31.1585 178.6530 137 L 3.8887 7.8014 119.5121 57.5944 41.2478 179.3063 138 A 4.2134 7.8621 119.3910 54.9832 18.4835 179.0408 139 L 4.4949 8.3814 115.8976 55.8917 42.1495 177.9541 140 G 3.4204 7.7176 103.7879 46.2918 0.0000 175.4334 141 L 4.1187 8.2258 123.4540 57.0961 42.1754 179.1696 142 G 3.3788 8.5724 106.1344 47.6456 0.0000 173.9915 143 P 4.3063 0.0000 0.0000 63.6922 31.2557 178.6874 144 W 3.9131 7.8632 126.2672 60.3883 30.7167 177.9360 145 L 4.1022 8.5439 119.4036 58.0209 40.6450 179.7758 146 S 4.1185 8.3602 114.2720 60.9538 62.5432 175.7007 147 I 3.9448 7.2312 120.1291 61.8618 38.2441 176.5928 148 E 3.8610 7.7296 119.2614 57.8825 29.4890 178.4597 149 V 3.2668 7.1924 117.5294 65.4367 31.8743 175.8448 150 P 3.0539 0.0000 0.0000 64.9099 31.0222 179.0692 151 A 3.7860 6.9701 116.8401 52.8770 17.9753 179.2835 *153 V 3.9485 7.9516 119.8537 64.4640 33.0735 177.6413 154 E 4.0258 7.9945 117.5324 59.4343 29.2957 178.1053 155 E 3.9450 8.1538 116.2929 57.2319 29.6291 177.7374 156 G 3.8899 8.1131 107.5374 45.5012 0.0000 174.2292 157 Y 4.3843 7.6915 117.9180 59.8381 38.3051 175.8854 158 L 4.8184 7.7796 118.2528 52.9375 43.5422 175.7836 159 K 4.5887 8.5299 121.9844 54.6298 33.4772 175.1205 160 P 4.0451 0.0000 0.0000 62.7573 31.2417 176.2692 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 4 S 8.19 4.41 0.00 3.88 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 5 V 8.32 3.41 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 0.95 0.00 0.00 0.91 0.00 0.00 6 K 8.75 4.00 0.00 1.78 1.83 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.60 7.81 7 E 8.07 4.10 0.00 2.18 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 2.41 2.32 0.00 8 S 8.02 4.11 0.00 4.03 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 9 V 7.87 3.52 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 0.84 0.00 0.00 0.94 0.00 0.00 10 S 7.53 4.35 0.00 4.01 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 11 R 7.56 4.30 0.00 1.96 1.87 0.00 3.13 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 12 I 7.10 4.06 1.67 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.47 0.61 0.00 0.00 13 P 0.00 4.43 0.00 2.10 2.04 0.00 3.74 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 2.10 2.18 0.00 14 L 8.44 4.43 0.00 1.67 1.73 0.64 1.28 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 15 L 8.62 4.73 0.00 1.76 1.81 1.13 0.60 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 16 K 9.42 4.25 0.00 1.65 1.93 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.43 7.81 17 T 7.78 4.08 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 1.30 0.00 0.00 18 K 8.36 4.30 0.00 1.59 1.69 0.00 1.47 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.43 7.81 19 A 8.07 4.75 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 20 G 9.37 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 21 P 0.00 2.97 0.00 1.73 1.75 0.00 3.42 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00 22 R 7.49 4.38 0.00 1.80 1.90 0.00 3.08 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 23 D 7.82 4.39 0.00 2.94 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 24 G 7.51 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 25 D 9.07 4.59 0.00 2.78 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 26 K 8.13 4.00 0.00 1.93 1.92 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.66 7.81 27 W 8.25 4.56 0.00 3.66 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.05 3.56 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 1.36 0.00 0.00 29 A 8.20 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 30 R 7.79 3.81 0.00 2.05 2.02 0.00 3.18 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.59 0.00 31 L 7.76 3.31 0.00 0.71 1.36 0.69 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.02 4.16 0.00 2.00 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.72 7.81 33 E 7.89 4.01 0.00 2.18 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 2.35 2.50 0.00 34 E 8.33 3.92 0.00 2.07 1.78 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 2.20 2.28 0.00 35 Y 7.81 4.49 0.00 3.26 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.32 4.07 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 37 S 8.38 4.08 0.00 3.96 4.08 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 38 L 8.26 4.26 0.00 2.24 1.97 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.29 3.79 2.22 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.49 0.95 0.00 0.00 40 T 8.00 3.87 4.45 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 1.22 0.00 0.00 41 Y 8.31 4.42 0.00 3.09 3.27 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 42 V 8.01 3.26 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 0.75 0.00 0.00 0.75 0.00 0.00 43 E 8.11 3.88 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 2.30 2.54 0.00 44 H 8.14 4.28 0.00 3.46 3.42 0.00 5.63 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 45 N 8.37 4.36 0.00 2.77 2.97 0.00 0.00 7.06 8.16 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 46 K 8.41 3.89 0.00 1.92 1.83 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.38 7.81 47 A 8.12 4.16 1.33 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 0.00 0.00 0.00 48 S 7.56 4.54 0.00 4.08 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 49 D 8.00 4.46 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 50 S 8.62 4.78 0.00 3.91 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 51 H 8.62 4.21 0.00 3.11 3.42 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 7.69 4.03 0.00 3.26 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 53 F 5.75 4.39 0.00 2.62 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 0.00 0.00 0.00 54 H 9.14 5.05 0.00 3.36 3.33 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.51 5.24 0.00 1.77 1.78 1.24 0.96 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 56 E 8.90 4.64 0.00 1.55 1.12 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 1.91 2.01 0.00 57 S 7.71 4.61 0.00 2.72 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 58 N 8.54 4.67 0.00 2.91 3.03 0.00 0.00 7.21 7.80 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 59 P 0.00 4.22 0.00 2.08 2.20 0.00 3.68 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 2.04 2.10 0.00 60 Q 8.18 4.19 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 61 G 8.17 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 62 T 7.90 4.59 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 1.24 0.00 0.00 63 R 8.02 4.91 0.00 1.88 1.78 0.00 3.10 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 64 W 9.07 5.13 0.00 1.78 2.32 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 65 Y 7.63 4.91 0.00 3.07 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 66 G 7.90 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.38 5.33 4.51 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 1.35 0.00 0.00 68 C 9.54 5.32 0.00 3.11 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 69 W 8.27 6.15 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.46 4.73 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 1.50 0.00 0.00 71 Y 8.75 5.47 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 9.40 4.84 0.00 3.15 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 73 K 8.96 3.86 0.00 1.81 1.71 0.00 1.70 0.00 0.00 1.07 0.00 0.00 2.55 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 1.12 7.81 74 N 8.29 4.33 0.00 2.85 2.89 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 75 E 8.27 4.83 0.00 1.97 1.48 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 2.47 2.43 0.00 76 K 8.28 4.37 0.00 1.55 1.46 0.00 1.42 0.00 0.00 1.50 0.00 0.00 2.43 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.03 0.95 7.81 77 Y 8.39 4.47 0.00 3.03 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 5.04 0.00 1.81 1.69 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 2.27 2.49 0.00 79 F 9.44 5.39 0.00 3.16 2.94 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 80 E 9.24 4.80 0.00 2.31 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 *82 N 8.47 4.90 0.00 3.08 3.05 0.00 0.00 5.46 8.12 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 83 F 8.56 5.21 0.00 3.02 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 84 D 8.78 5.41 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.28 4.12 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.03 0.49 0.00 0.00 86 P 0.00 4.43 0.00 2.25 1.98 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.06 0.00 87 V 8.31 3.54 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 0.78 0.00 0.00 0.89 0.00 0.00 88 T 7.83 4.14 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 1.21 0.00 0.00 89 Y 7.74 4.60 0.00 3.10 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 90 P 0.00 3.88 0.00 1.85 1.22 0.00 3.74 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 1.72 1.79 0.00 91 Q 8.27 4.08 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 92 A 7.85 4.68 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 93 P 0.00 3.98 0.00 1.72 0.49 0.00 3.74 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.56 0.00 94 P 0.00 4.22 0.00 1.70 1.96 0.00 3.39 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 95 E 8.27 4.28 0.00 1.92 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 2.17 2.24 0.00 96 I 7.83 4.31 1.59 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 0.78 0.25 0.85 0.00 0.00 97 A 8.96 5.01 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 98 L 8.23 4.92 0.00 1.40 1.50 0.56 0.90 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 99 P 0.00 4.20 0.00 2.20 2.14 0.00 3.78 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 2.15 2.15 0.00 100 E 8.22 4.03 0.00 2.12 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 0.00 2.41 2.42 0.00 101 L 8.20 4.34 0.00 1.76 1.66 0.46 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.63 4.18 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 103 G 9.08 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 0.00 0.00 0.00 104 K 7.32 3.32 0.00 1.67 1.34 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.75 1.11 7.81 105 T 7.19 4.57 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 1.35 0.00 0.00 106 V 8.29 3.79 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 0.73 0.00 0.00 0.88 0.00 0.00 107 K 7.68 4.16 0.00 1.80 1.95 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.45 7.81 *109 Y 7.42 4.57 0.00 3.22 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 0.00 110 R 8.53 4.24 0.00 1.85 1.93 0.00 3.22 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 1.66 1.68 0.00 111 G 9.23 3.41 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 0.00 112 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.97 4.59 0.00 1.76 1.81 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 114 I 8.34 3.67 0.56 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.01 -0.49 0.00 0.00 115 C 8.52 4.58 0.00 2.62 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 *117 T 8.10 4.17 4.31 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 1.32 0.00 0.00 118 T 8.70 4.18 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 0.96 0.00 0.00 119 H 8.15 4.56 0.00 3.29 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.29 4.11 0.00 2.95 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 0.00 121 F 7.63 4.23 0.00 3.34 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 0.00 122 P 0.00 4.38 0.00 2.30 2.36 0.00 3.96 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 2.31 2.11 0.00 123 L 7.40 3.91 0.00 1.73 1.93 1.02 1.06 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 0.00 124 W 8.40 4.09 0.00 2.64 2.94 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 0.00 125 A 8.27 4.02 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 0.00 126 R 7.51 3.90 0.00 1.88 2.00 0.00 2.99 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.50 0.00 127 N 7.19 4.33 0.00 1.44 1.42 0.00 0.00 6.48 7.08 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 0.00 128 V 6.34 3.37 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 0.54 0.00 0.00 0.65 0.00 0.00 129 P 0.00 4.38 0.00 2.01 1.99 0.00 2.66 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 130 Y 6.99 4.93 0.00 2.90 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 F 6.78 4.88 0.00 1.99 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.16 4.86 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 0.00 133 I 9.12 3.53 1.58 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.12 0.57 0.00 0.00 134 S 8.16 4.11 0.00 3.80 4.22 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 0.00 135 H 8.05 3.99 0.00 3.41 2.96 0.00 5.81 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 0.00 136 V 8.05 3.94 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 0.52 0.00 0.00 0.56 0.00 0.00 137 L 7.80 3.89 0.00 1.83 1.50 0.13 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.86 4.21 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 0.00 139 L 8.38 4.49 0.00 1.99 1.97 0.76 0.78 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 0.00 140 G 7.72 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.12 0.00 1.67 1.96 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.57 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 0.00 0.00 0.00 143 P 0.00 4.31 0.00 2.19 2.11 0.00 3.97 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 2.32 1.98 0.00 144 W 7.86 3.91 0.00 3.50 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 0.00 145 L 8.54 4.10 0.00 1.99 1.85 1.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.36 4.12 0.00 4.00 4.15 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 0.00 147 I 7.23 3.94 1.84 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 1.42 0.61 0.76 0.00 0.00 148 E 7.73 3.86 0.00 1.16 1.12 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 1.47 1.47 0.00 149 V 7.19 3.27 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 0.71 0.00 0.00 1.03 0.00 0.00 150 P 0.00 3.05 0.00 1.88 1.42 0.00 3.25 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.68 0.00 151 A 6.97 3.79 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 *153 V 7.95 3.95 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 1.20 0.00 0.00 0.45 0.00 0.00 154 E 7.99 4.03 0.00 2.14 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 2.64 2.48 0.00 155 E 8.15 3.95 0.00 2.01 1.74 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 2.35 2.30 0.00 156 G 8.11 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 0.00 0.00 0.00 157 Y 7.69 4.38 0.00 3.01 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 0.00 158 L 7.78 4.82 0.00 1.54 1.70 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.53 4.59 0.00 1.84 1.81 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 160 P 0.00 4.05 0.00 1.95 1.66 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.