NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -15 D 4.5255 8.3644 120.1911 53.8613 42.4047 174.3178 -14 K 4.1838 8.4797 127.3602 53.5807 33.0882 174.0647 -13 I 4.7272 7.8698 118.4386 59.5968 41.7497 172.7866 -12 H 4.9113 8.0359 114.8340 54.8008 31.2959 172.0327 -11 H 4.8407 8.3677 116.4324 53.7913 30.9267 174.0346 -10 H 4.1549 8.8852 123.2764 58.0678 30.9760 175.2764 -9 H 4.1026 8.7226 123.5308 56.8288 26.1645 174.7101 -8 H 4.1263 8.3040 121.5731 59.4236 30.3829 175.8317 -7 H 4.9936 8.0820 114.6964 55.2839 29.5968 175.8273 -6 E 4.0847 8.2487 123.1941 59.7506 29.3858 179.1098 -5 N 4.6030 8.0483 113.2034 55.2729 38.7429 176.0198 -4 L 4.0675 7.9282 116.9467 56.4378 42.3859 177.2026 -3 Y 4.4714 7.4062 118.1533 55.4892 36.8619 174.8950 -2 F 4.8372 7.3604 121.7750 57.1703 43.0635 172.3974 -1 Q 4.5515 7.1394 126.6114 54.4289 33.3294 171.9233 0 G 3.2619 8.9761 114.4335 47.4576 0.0000 174.0952 -13 N 5.2972 8.2698 117.2386 51.5968 41.8497 171.5866 -12 F 4.8013 7.9159 116.9340 57.5008 41.8959 173.7327 -11 Q 4.4507 8.2677 118.0324 54.4913 31.3267 175.9346 -9 N 4.1126 8.7026 124.0308 54.9288 36.0645 175.8101 -8 E 3.7463 8.3040 123.5731 61.0236 31.2829 178.3317 -7 A 4.5836 7.9020 120.2964 52.7839 19.6968 179.5273 -6 I 3.9047 7.8287 122.8941 64.2506 38.2858 178.9098 -5 Q 4.2030 7.9683 114.3034 57.8729 29.2429 176.8198 -4 L 4.0675 7.9282 116.9467 56.4378 42.3859 177.2026 -3 L 4.2614 7.4462 119.6533 52.6892 41.4619 176.5950 -2 E 4.5672 7.4804 121.6750 56.0703 33.3636 173.1974 -1 R 4.5515 7.0494 127.3114 54.7289 34.8294 172.2233 0 T 3.6519 8.7961 119.2335 64.1576 67.7817 173.8952 16 P 4.5634 0.0000 0.0000 65.4528 31.3115 178.8342 17 K 3.9606 7.8864 117.1828 60.0769 32.5030 179.1434 18 T 3.7712 7.7747 116.3647 66.5476 68.5158 176.3587 19 L 4.1051 7.9079 120.2743 57.6538 41.5895 179.1443 20 E 2.5400 7.9343 119.1617 58.8920 29.3709 179.0228 21 V 3.5005 7.6312 117.1469 65.8903 31.5646 177.4752 22 F 4.5301 8.0380 119.6646 60.7338 39.6261 176.4099 23 L 4.4563 7.8324 117.2671 54.1859 42.7945 176.3459 24 E 4.4550 7.8687 121.5726 57.4089 29.8282 177.5054 25 G 4.1258 9.1634 114.2643 45.3061 0.0000 173.4374 26 L 4.2363 7.6328 119.3178 54.2024 42.4389 177.0938 27 S 4.2832 8.6396 115.4471 58.1389 63.2514 174.7607 28 D 4.3460 8.7271 124.6197 57.3871 40.8733 178.5748 29 S 4.0243 7.6496 115.9167 61.7873 62.8914 176.9667 30 W 4.4503 8.1672 121.1473 59.9770 28.7334 178.1541 31 H 4.6419 8.4356 115.6243 57.8024 28.4947 176.5805 32 Q 4.5157 7.4989 115.9807 55.7497 29.5897 175.7215 33 C 4.4889 7.6636 113.7372 57.8165 30.6305 172.6819 34 N 5.4272 8.2247 116.9744 52.1738 39.8415 173.7017 35 E 4.5010 8.3354 116.3621 56.8378 29.9515 176.3048 36 G 3.8804 8.8723 105.4933 44.1153 0.0000 172.9245 37 Y 4.1739 8.4499 118.7073 59.4400 38.6969 175.7496 38 E 3.5981 8.3755 125.6999 57.7317 27.0105 174.1383 39 T 4.6752 7.3616 106.7661 59.1993 71.5622 173.7968 40 W 4.7354 8.3822 122.7670 56.7574 29.9520 177.1229 41 T 4.5030 9.0984 113.0592 61.1289 70.6186 175.9679 42 V 3.6657 8.2768 121.0858 66.5843 31.4805 177.5293 43 Y 3.9477 8.2672 118.9772 60.9338 38.6438 178.0867 44 E 3.9501 8.3270 118.9926 59.1581 29.4851 179.5305 45 V 3.8058 8.1866 118.8185 66.0161 31.6358 178.2989 46 V 3.3619 7.5983 117.6661 65.7581 31.2028 178.1971 47 V 3.3137 7.4708 118.0772 66.0776 31.3186 177.4630 48 H 3.9845 8.0289 117.9889 59.1876 29.6284 177.2672 49 L 3.9437 7.7239 120.7710 57.6671 41.2845 179.4473 50 I 3.7579 7.4677 119.7435 64.3820 36.9955 177.9916 51 E 3.8169 8.3376 120.1205 59.3117 29.4522 178.7753 52 A 3.6165 7.8979 120.6515 55.0189 17.9474 179.4858 53 E 4.1462 8.2026 116.8974 59.2727 29.2661 179.7261 54 K 4.0425 7.6187 117.6603 58.9865 32.4616 178.3832 55 T 4.4285 7.8056 109.4812 61.9980 69.0571 172.9474 56 N 4.3193 7.9528 117.8989 54.6968 40.6348 176.4850 57 W 3.9225 6.9781 116.6968 59.8616 29.6439 178.3049 58 I 3.6060 7.2533 118.7825 64.0394 36.8585 176.5035 59 P 4.1976 0.0000 0.0000 65.8210 30.9850 178.7228 60 R 3.6307 7.7152 116.3962 58.3428 29.9383 178.5913 61 L 3.9608 8.0085 120.4992 58.3612 42.1220 179.1369 62 R 3.9561 8.2023 118.1071 59.3617 30.0131 178.8668 63 F 3.9655 8.1930 119.9567 61.2141 39.4155 176.9430 64 I 3.9247 8.2523 119.7026 64.9175 36.8277 178.5103 65 L 4.0686 8.0297 117.8909 57.1539 41.4606 178.5898 66 Q 4.2157 8.0411 118.4522 57.6368 29.7022 176.5903 67 E 4.2660 8.7291 118.6873 56.1867 30.5969 177.3538 68 G 3.8645 8.4238 108.6417 46.4597 0.0000 175.0486 69 E 4.4014 8.3968 120.6966 56.9789 30.0077 177.5395 70 H 4.3808 7.6634 116.5317 57.6695 29.0388 175.7066 71 K 4.7333 7.4024 118.1955 53.9002 36.0955 174.1328 72 P 4.5889 0.0000 0.0000 62.0759 32.4401 175.9776 73 F 3.5577 7.6117 120.6879 57.2366 39.3353 173.7383 74 P 4.3583 0.0000 0.0000 62.1614 32.1526 175.9830 75 A 3.8068 8.0848 123.2398 51.7905 19.0331 177.6208 76 F 4.6180 7.8038 118.4431 58.4444 41.0044 177.6320 77 D 4.5197 8.7461 126.7593 55.5139 38.0453 176.5067 78 R 3.8705 8.8694 126.5352 57.3133 26.9408 175.5197 *85 S 4.1850 7.6929 111.7735 58.9630 62.1143 173.9354 86 N 4.2620 8.6102 125.4094 55.0463 38.5086 176.6285 87 A 3.9551 7.4300 120.8691 54.4815 18.6639 178.3362 88 V 3.6252 7.2268 114.9215 62.3531 32.0925 174.0414 89 P 4.3307 0.0000 0.0000 63.0662 31.9587 177.2587 90 I 3.5015 8.5030 121.4111 63.9303 37.8249 178.3964 91 S 4.6937 7.9062 116.2667 60.9907 62.8067 176.2463 92 E 4.0140 8.1384 121.9004 59.0952 29.0827 179.4242 93 R 3.7957 7.5949 117.6503 59.2291 30.1673 178.7987 94 F 4.5624 7.7095 117.5040 60.5935 38.9245 177.5909 95 K 3.9954 8.0684 118.6834 59.5270 31.9355 178.4199 96 E 3.9617 8.2764 119.5194 59.3599 29.5428 178.5603 97 F 4.5036 8.6259 120.9968 61.3699 39.4485 176.9219 98 Q 3.7472 8.3568 119.3116 59.0154 28.8994 177.8686 99 Q 3.9550 8.1265 120.5703 59.2670 29.0835 178.2923 100 L 4.0449 8.2988 120.3339 57.7955 41.7034 179.4703 101 R 4.1863 8.1073 120.1454 58.6481 29.9126 178.4117 102 K 3.8710 8.0339 119.3314 59.6513 32.2698 178.5286 103 E 4.0076 8.2025 118.7441 59.6993 29.3479 179.2561 104 N 4.5482 8.7093 116.7580 56.2512 38.5914 177.4489 105 L 4.1912 8.1934 120.4970 57.4309 41.8361 179.1730 106 N 4.3800 8.0799 116.4243 56.5006 38.5048 177.5159 107 T 3.8872 8.0781 117.1052 66.4960 68.5489 176.0203 108 L 4.0698 8.3615 122.6955 58.7932 41.8401 179.3907 109 R 3.9723 7.8639 116.0075 59.4673 30.0165 179.0189 110 S 4.2951 7.8555 113.9384 61.0630 62.8734 175.8786 111 L 4.6472 7.8324 120.3272 54.6022 42.4489 176.5462 112 V 4.2591 7.8963 118.1889 61.2634 31.4692 174.5192 113 Q 4.6392 8.6920 122.9973 55.1625 29.6915 175.6885 114 S 4.6435 7.4966 111.7590 57.0381 65.8563 175.1247 115 E 4.0027 8.7842 121.7185 59.0380 30.0493 178.8154 116 A 4.0836 7.7631 119.7044 55.1616 18.3182 179.2690 117 D 4.4233 7.9961 116.8205 57.1610 40.8043 178.7190 118 L 4.0848 7.8331 119.3064 57.2374 41.3436 178.3095 119 E 4.3306 7.8314 116.0731 56.1087 30.3168 176.8767 120 R 4.3085 7.5936 119.9348 56.4146 31.0022 175.7937 121 T 5.1235 8.6123 111.9680 60.2886 72.5170 173.3158 122 G 4.6330 9.2230 109.0811 44.3869 0.0000 170.1338 123 A 5.0333 8.1742 120.5051 50.1898 21.5979 175.4335 124 H 3.8497 8.9471 123.5753 53.9313 30.9621 174.3951 125 P 4.0744 0.0000 0.0000 64.9610 31.1982 176.6662 126 A 4.5568 7.8676 119.4464 53.3553 20.6616 177.1742 127 F 4.6819 7.9158 111.7426 57.9071 40.4956 178.0102 128 G 3.8592 7.8490 109.0422 45.3302 0.0000 173.2742 129 V 4.1992 8.3287 123.6201 63.1583 32.2211 176.5583 130 V 4.8311 8.7980 120.2418 59.6737 35.9951 174.9257 131 K 4.9458 9.1077 122.6107 55.0050 34.5603 177.8710 132 V 3.6104 8.7405 122.4829 66.4538 31.4333 178.5453 133 R 3.3233 7.9983 115.6387 59.4664 28.8930 178.6247 134 E 3.9672 8.0098 118.5205 58.8105 29.5129 178.6889 135 L 4.1808 7.9507 120.3589 58.4680 42.2407 179.2032 136 L 4.2825 8.1482 118.8698 57.7169 41.4242 179.7028 137 S 4.2640 8.0804 115.0767 61.6840 62.7788 176.5343 138 A 4.0749 8.1226 123.4345 54.7571 18.0607 179.3169 139 W 2.5400 8.0141 127.0345 60.0926 30.7349 178.3793 140 V 3.3353 7.6259 117.9379 66.0660 31.0008 178.2281 141 V 3.6535 8.1302 118.2364 65.9909 31.3573 177.5199 142 H 4.3062 8.6872 118.7684 59.2337 29.7217 176.6678 143 D 4.4940 7.9960 120.3236 57.6861 40.7670 178.9030 144 L 3.9704 7.7843 118.5113 58.2035 41.6467 179.6993 145 T 3.8565 8.3167 115.9614 67.1974 68.3432 176.2857 146 H 4.4146 8.2025 117.4911 58.2766 28.6888 177.8306 147 I 3.7349 8.0467 121.8820 64.4957 36.9154 178.1233 148 A 3.9814 8.0418 121.3841 55.1091 18.1772 179.3609 149 Q 3.9103 8.2026 118.0069 59.4539 28.9440 178.5514 150 I 3.7738 7.9082 119.6766 64.5958 37.2861 178.3097 151 V 3.8854 7.9813 117.8485 66.1996 31.6977 178.0275 152 R 4.1758 8.4124 118.1201 59.0635 29.9500 179.4175 153 S 4.3677 7.9583 111.0902 59.5964 62.6273 175.8268 *155 A 4.3679 7.9431 127.3232 52.1063 20.5208 179.7859 156 K 4.3181 8.1800 116.2369 58.7798 32.4913 178.6155 157 R 3.9589 7.5062 117.5537 59.2533 30.1034 176.9639 158 Y 5.3023 7.9636 114.6606 57.0907 37.9733 176.8896 159 D 4.5277 8.1522 122.9234 58.3200 41.0527 179.3076 160 T 4.0304 7.9409 115.2123 66.6018 68.4671 176.6188 161 D 4.3874 8.1718 120.3725 57.3943 40.7873 178.7386 162 V 3.9330 8.3826 112.1029 61.5823 31.9662 177.5952 163 G 3.8515 8.6927 108.5224 46.1624 0.0000 175.0350 164 P 4.4511 0.0000 0.0000 64.0648 31.3956 177.2802 165 W 4.4609 8.1498 118.7416 58.0282 28.7375 177.6776 166 K 3.9614 7.7871 119.9083 59.6527 31.8521 177.7232 167 E 4.1254 8.2101 118.6978 59.6593 29.7204 178.0188 168 Y 4.2770 8.1587 119.0040 60.6098 38.7449 177.4171 169 L 4.2607 8.3692 119.2348 56.7199 41.7997 178.5352 170 G 4.0483 8.0490 104.4934 43.7946 0.0000 173.2918 171 I 4.2816 7.5271 122.7703 59.4797 37.8577 175.2014 172 L 4.5141 8.1013 124.8409 53.5459 44.0008 175.9741 173 N 4.4106 8.7231 113.5263 54.4206 35.9700 174.2944 174 D 4.4673 7.6166 123.6277 54.5125 41.6157 174.9836 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 -15 D 8.36 4.53 0.00 2.63 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 -14 K 8.48 4.18 0.00 1.82 1.70 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.57 7.81 -13 I 7.87 4.73 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.93 0.00 0.00 -12 H 8.04 4.91 0.00 3.24 3.29 0.00 5.48 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -11 H 8.37 4.84 0.00 2.83 3.12 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -10 H 8.89 4.15 0.00 3.07 3.22 0.00 6.05 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 -9 H 8.72 4.10 0.00 3.30 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 H 8.30 4.13 0.00 3.14 3.31 0.00 5.69 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 -7 H 8.08 4.99 0.00 3.47 3.38 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.25 4.08 0.00 2.16 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 2.38 2.37 0.00 -5 N 8.05 4.60 0.00 2.76 2.88 0.00 0.00 7.32 7.85 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 -4 L 7.93 4.07 0.00 1.27 1.35 0.86 0.66 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 -3 Y 7.41 4.47 0.00 3.06 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 -2 F 7.36 4.84 0.00 3.09 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 7.14 4.55 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 0 G 8.98 3.26 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 0.00 0.00 0.00 0.00 -13 N 8.27 5.30 0.00 2.67 2.53 0.00 0.00 5.97 7.90 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 -12 F 7.92 4.80 0.00 3.09 3.17 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 -11 Q 8.27 4.45 0.00 1.66 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 -9 N 8.70 4.11 0.00 2.84 2.88 0.00 0.00 6.76 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 -8 E 8.30 3.75 0.00 1.91 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 2.30 2.30 0.00 -7 A 7.90 4.58 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 -6 I 7.83 3.90 1.87 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 1.30 1.34 0.91 0.00 0.00 -5 Q 7.97 4.20 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 -4 L 7.93 4.07 0.00 1.27 1.35 0.86 0.66 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 -3 L 7.45 4.26 0.00 1.65 1.64 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 -2 E 7.48 4.57 0.00 2.01 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 2.28 2.35 0.00 -1 R 7.05 4.55 0.00 1.60 1.47 0.00 2.21 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 0 T 8.80 3.65 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 1.21 0.00 0.00 16 P 0.00 4.56 0.00 2.14 1.77 0.00 3.35 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.93 0.00 17 K 7.89 3.96 0.00 1.92 2.01 0.00 1.46 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.50 7.81 18 T 7.77 3.77 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 1.10 0.00 0.00 19 L 7.91 4.11 0.00 1.96 1.86 1.08 0.96 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 20 E 7.93 2.54 0.00 1.63 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 2.12 2.05 0.00 21 V 7.63 3.50 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 0.85 0.00 0.00 0.93 0.00 0.00 22 F 8.04 4.53 0.00 2.97 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 23 L 7.83 4.46 0.00 2.01 1.91 1.13 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.87 4.46 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 25 G 9.16 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 26 L 7.63 4.24 0.00 1.73 1.76 0.48 0.43 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 27 S 8.64 4.28 0.00 3.87 3.79 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 28 D 8.73 4.35 0.00 2.83 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 29 S 7.65 4.02 0.00 3.51 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 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3.60 0.00 1.73 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 0.00 1.85 1.47 0.00 39 T 7.36 4.68 4.23 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 1.21 0.00 0.00 40 W 8.38 4.74 0.00 3.38 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 41 T 9.10 4.50 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 42 V 8.28 3.67 2.30 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 1.10 0.00 0.00 1.16 0.00 0.00 43 Y 8.27 3.95 0.00 3.15 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 44 E 8.33 3.95 0.00 2.36 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 45 V 8.19 3.81 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.32 0.00 0.00 46 V 7.60 3.36 1.86 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.48 1.57 7.81 55 T 7.81 4.43 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 0.85 0.00 0.00 56 N 7.95 4.32 0.00 1.93 1.56 0.00 0.00 7.04 7.32 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 57 W 6.98 3.92 0.00 2.02 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 0.00 0.00 0.00 58 I 7.25 3.61 1.82 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.92 0.00 0.00 59 P 0.00 4.20 0.00 2.06 2.08 0.00 3.46 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 2.14 2.15 0.00 60 R 7.72 3.63 0.00 1.67 1.00 0.00 3.00 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.31 0.00 61 L 8.01 3.96 0.00 1.88 1.89 1.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.20 3.96 0.00 2.12 2.01 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 63 F 8.19 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.83 4.65 0.00 1.69 1.77 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.90 4.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 113 Q 8.69 4.64 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.41 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 114 S 7.50 4.64 0.00 3.98 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 0.00 115 E 8.78 4.00 0.00 2.06 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 2.43 2.38 0.00 116 A 7.76 4.08 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 0.00 117 D 8.00 4.42 0.00 2.91 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 0.00 118 L 7.83 4.08 0.00 1.89 1.69 1.14 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 119 E 7.83 4.33 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 2.33 2.50 0.00 120 R 7.59 4.31 0.00 1.96 1.88 0.00 3.09 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 121 T 8.61 5.12 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 1.26 0.00 0.00 122 G 9.22 4.63 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 0.00 123 A 8.17 5.03 1.16 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 0.00 0.00 124 H 8.95 3.85 0.00 2.95 3.09 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.07 0.00 2.04 1.98 0.00 3.02 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 126 A 7.87 4.56 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 0.00 127 F 7.92 4.68 0.00 2.88 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 0.00 128 G 7.85 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 0.00 129 V 8.33 4.20 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 0.81 0.00 0.00 0.95 0.00 0.00 130 V 8.80 4.83 2.26 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 0.83 0.00 0.00 1.12 0.00 0.00 131 K 9.11 4.95 0.00 1.70 1.88 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.38 7.81 132 V 8.74 3.61 2.37 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 1.09 0.00 0.00 1.07 0.00 0.00 133 R 8.00 3.32 0.00 1.62 1.93 0.00 2.80 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 134 E 8.01 3.97 0.00 2.26 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 2.40 2.35 0.00 135 L 7.95 4.18 0.00 1.95 1.96 1.05 0.79 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 0.00 136 L 8.15 4.28 0.00 1.54 1.94 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.08 4.26 0.00 4.05 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 0.00 138 A 8.12 4.07 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 W 8.01 2.54 0.00 2.64 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 0.00 140 V 7.63 3.34 2.19 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 0.85 0.00 0.00 0.81 0.00 0.00 141 V 8.13 3.65 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.02 0.00 0.00 142 H 8.69 4.31 0.00 3.63 3.62 0.00 5.66 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 0.00 143 D 8.00 4.49 0.00 2.99 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 0.00 144 L 7.78 3.97 0.00 1.85 1.70 0.88 0.57 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 0.00 145 T 8.32 3.86 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 1.13 0.00 0.00 146 H 8.20 4.41 0.00 3.25 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.05 3.73 2.02 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 1.50 0.92 0.86 0.00 0.00 148 A 8.04 3.98 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 0.00 149 Q 8.20 3.91 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 150 I 7.91 3.77 2.16 0.00 0.00 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 1.53 0.86 1.09 0.00 0.00 151 V 7.98 3.89 2.22 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 0.85 0.00 0.00 0.99 0.00 0.00 152 R 8.41 4.18 0.00 1.91 1.99 0.00 3.20 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 153 S 7.96 4.37 0.00 4.17 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 A 7.94 4.37 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 0.00 156 K 8.18 4.32 0.00 2.00 2.01 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.59 7.81 157 R 7.51 3.96 0.00 1.95 1.92 0.00 3.16 0.00 0.00 2.68 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 158 Y 7.96 5.30 0.00 3.13 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 0.00 159 D 8.15 4.53 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.94 4.03 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 1.24 0.00 0.00 161 D 8.17 4.39 0.00 2.72 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 0.00 0.00 0.00 162 V 8.38 3.93 2.30 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 1.18 0.00 0.00 1.18 0.00 0.00 163 G 8.69 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.45 0.00 1.95 2.05 0.00 3.78 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 1.46 1.83 0.00 165 W 8.15 4.46 0.00 3.76 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 0.00 166 K 7.79 3.96 0.00 1.90 1.94 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.58 7.81 167 E 8.21 4.13 0.00 2.13 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 2.46 2.42 0.00 168 Y 8.16 4.28 0.00 3.15 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 0.00 169 L 8.37 4.26 0.00 1.95 1.76 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 170 G 8.05 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 0.00 171 I 7.53 4.28 1.70 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 1.51 1.12 1.00 0.00 0.00 172 L 8.10 4.51 0.00 1.65 1.53 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 173 N 8.72 4.41 0.00 2.88 2.91 0.00 0.00 6.60 8.06 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 0.00 174 D 7.62 4.47 0.00 2.84 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.