NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 P 4.4121 0.0000 0.0000 61.3901 32.8218 176.1445 15 P 4.2590 0.0000 0.0000 61.4676 31.9430 170.5597 16 V 3.5826 8.3162 120.2296 62.7822 33.1101 176.7505 17 H 4.2163 8.6801 126.8002 55.4583 30.3817 174.1208 18 P 4.3776 0.0000 0.0000 65.8057 31.1526 178.6654 19 F 4.6719 8.4881 115.3490 59.9947 39.1539 177.1419 20 V 3.8220 8.0098 117.6431 64.8689 31.4482 177.4974 21 A 3.9547 8.1570 120.4043 54.9024 17.8676 177.6931 22 P 4.3513 0.0000 0.0000 64.8417 31.8306 177.1228 23 L 4.1734 7.7639 118.0659 54.0903 41.8858 178.5374 24 S 4.0691 7.8888 117.1672 60.9735 62.9472 175.9764 25 Y 4.3432 7.8369 118.3620 59.4819 37.7400 177.3996 26 L 4.1567 7.0429 120.1308 56.8606 41.8557 177.6613 27 L 4.2519 7.5135 119.5315 54.5233 42.1480 176.6288 28 G 3.7780 7.7495 109.8836 44.2057 0.0000 171.9111 29 T 5.2555 8.0957 115.3049 61.5897 72.0567 173.6037 30 W 5.5650 9.4238 124.0552 55.1215 33.6198 174.3790 31 R 5.1936 9.2539 123.2823 54.9685 33.2626 173.3782 32 G 4.3427 9.2095 114.1352 46.3026 0.0000 172.0935 33 Q 4.8001 8.5317 121.2607 55.1410 32.9424 174.2531 34 G 3.8435 8.0230 106.5001 44.9345 0.0000 171.0083 35 E 4.9263 8.8119 117.9527 54.3558 33.9397 175.5158 36 G 4.0479 8.0320 110.2280 44.4457 0.0000 171.3721 37 E 5.2221 8.5987 117.8481 55.9528 33.5519 173.7538 38 Y 4.7088 8.6116 118.2968 56.4158 41.5855 172.9124 39 P 4.1683 0.0000 0.0000 65.9218 31.5560 177.6637 40 T 4.2255 8.0556 106.5035 62.6987 69.4985 174.5594 41 I 4.5869 7.4373 114.3877 57.9450 39.9055 173.5200 42 P 4.6019 0.0000 0.0000 62.2387 32.1598 176.2925 43 S 4.8321 8.4524 115.1473 58.9107 63.8927 172.9890 44 F 5.1403 8.8048 115.5940 55.9418 41.5246 173.1085 45 R 5.2026 8.7202 117.9416 54.9143 33.3951 174.5779 46 Y 4.9487 8.0961 117.8443 55.9551 41.8482 174.2139 47 G 3.4428 8.3637 108.3963 45.1893 0.0000 172.2851 48 E 4.9075 8.1274 120.8712 54.2688 33.8622 173.5475 49 E 5.4386 9.4482 126.1074 54.6604 33.4625 174.2624 50 I 5.1112 9.0825 126.2342 59.4843 41.5891 174.1254 51 R 5.1218 8.7937 126.5745 54.5373 33.0484 174.0669 52 F 5.6207 9.2311 124.9645 55.8827 41.8156 174.8395 53 S 5.1069 9.0912 117.1792 57.6984 67.1542 171.8797 54 H 5.3141 8.4437 114.5887 54.3587 31.4585 172.9934 55 S 4.5365 8.4481 110.7101 58.0529 63.3407 175.1560 56 G 4.0098 8.9635 108.4063 46.0775 0.0000 174.2055 57 K 4.4151 7.5024 118.6587 54.2357 34.0053 174.5659 58 P 4.4781 0.0000 0.0000 62.2057 30.7837 176.6014 59 V 4.7939 7.3697 116.1842 62.6048 35.2998 173.8754 60 I 4.7985 9.0192 128.1370 59.3951 39.7765 174.8437 61 A 4.6458 9.1964 129.9346 51.9162 19.8687 175.3917 62 Y 4.9077 8.7258 122.9578 55.9014 41.8332 174.3177 63 T 4.5552 8.0772 120.1971 60.3215 71.3748 172.1588 64 Q 5.0054 8.5704 127.9218 54.5407 33.1967 173.3794 65 K 5.2998 9.0961 122.8022 55.7530 36.5624 174.8398 66 T 5.1994 8.7721 110.9582 60.0397 72.0913 172.5855 67 W 5.4551 8.0744 118.2646 55.0605 32.4739 173.7929 68 K 4.4511 9.3004 121.0161 56.3370 32.0123 178.4801 69 L 4.2031 9.0052 125.6348 58.0249 41.9361 178.5826 70 E 4.1953 8.4307 115.2141 58.6011 29.8486 177.6074 71 S 4.4612 8.1764 111.8458 57.1820 64.5008 175.0927 72 G 3.7761 8.5686 107.8673 45.3542 0.0000 173.1778 73 A 4.1559 7.9899 122.8358 51.1679 19.1622 176.5246 74 P 4.6884 0.0000 0.0000 63.2133 32.7332 174.9370 *76 H 4.7317 8.5002 117.0407 56.2836 30.6972 171.9473 77 A 5.2117 8.6617 119.3224 51.2264 22.9180 175.0983 78 E 5.1834 8.8840 116.7830 55.5962 33.7070 173.9841 79 S 4.6349 8.3624 113.8195 57.4129 66.7463 174.3786 80 G 3.8929 7.9347 107.1180 46.4567 0.0000 171.0919 81 Y 5.3536 8.1865 117.5550 56.6744 42.8682 174.2747 82 F 4.9830 9.8316 123.0630 56.1117 41.7438 175.2397 83 R 4.8133 9.1218 123.3175 53.6256 30.8140 172.8358 84 P 5.0881 0.0000 0.0000 62.3887 33.0496 176.0540 85 R 4.4926 8.9265 119.5513 53.4722 33.9147 174.9760 86 P 4.2529 0.0000 0.0000 65.3411 31.3509 176.9623 87 D 4.3406 7.8049 116.8007 53.9569 39.5956 177.0493 88 G 3.1375 8.3351 110.0928 44.8276 0.0000 173.6899 89 S 4.8894 8.1359 114.9134 58.3876 65.0342 173.0600 90 I 5.1376 8.4425 119.8765 59.8870 41.7423 173.0254 91 E 5.2546 8.9171 125.7631 54.5338 32.9862 174.8513 92 V 4.7370 8.7735 121.1651 61.2276 35.1445 174.3544 93 V 5.0069 8.7549 120.4374 59.6952 34.8206 174.7639 94 I 5.1858 8.6848 124.4052 59.5468 41.5904 173.9583 95 A 5.1429 9.2084 128.1965 50.3060 21.6724 175.3393 96 Q 5.0444 8.8626 121.0068 53.7224 31.4682 177.3810 97 S 4.0971 8.9520 117.6544 61.4138 63.0487 175.7297 98 T 3.9503 7.7442 109.4050 62.7461 68.8483 175.1214 99 G 3.9629 8.4135 111.1353 45.2075 0.0000 173.0385 100 L 4.9577 7.6616 118.6635 53.0597 44.5603 175.7624 101 V 5.0529 8.3542 113.4308 59.8095 36.0257 174.6268 102 E 5.1140 9.1603 121.2151 54.7291 34.1268 174.7216 103 V 4.6014 8.6606 123.6072 61.4124 33.7398 174.1576 104 Q 5.1331 9.1261 127.6484 54.1475 31.4528 175.0376 105 K 4.9642 9.0702 121.7624 53.9629 36.6063 176.2235 106 G 4.2737 8.0863 111.9785 46.4377 0.0000 172.5849 107 T 5.2698 8.3817 113.7936 60.0855 72.5826 172.8226 108 Y 5.3645 8.5635 120.6331 55.2566 41.3338 174.4162 109 N 4.8278 9.1041 119.2926 51.9802 41.5964 175.1945 110 V 3.7504 8.7670 126.4204 66.2983 32.0087 177.8116 111 D 4.4201 8.2028 117.7050 56.8842 40.7633 177.0320 112 E 4.2360 8.5658 116.4871 55.8552 30.6180 175.7334 113 Q 3.2630 7.6598 118.0250 57.2071 26.9389 172.7214 114 S 5.4263 7.9529 110.3140 56.7561 67.4922 174.2850 115 I 5.1837 8.9270 120.7527 59.8169 41.5014 174.3872 116 K 4.9459 9.4576 126.3275 54.6013 35.3814 175.2999 117 L 5.3879 8.9289 124.1826 52.9231 46.0656 175.8139 118 K 5.0512 8.9259 120.8411 54.2827 36.6674 175.8615 119 S 4.6558 8.6011 118.9946 58.7870 62.9596 174.2204 120 D 4.5903 9.1183 124.5888 56.8747 41.6471 176.7206 121 L 4.5208 7.5611 118.6608 53.7483 45.7699 174.1879 122 V 4.7670 8.5185 125.4179 61.1425 33.9465 174.5112 123 G 4.0246 9.0945 115.7372 44.9728 0.0000 172.8557 124 N 4.0693 8.7699 119.4086 54.1452 37.3455 173.3269 125 A 4.6278 7.8168 118.3291 50.1012 20.4879 178.5455 126 S 4.3574 8.6386 116.9962 60.4306 63.6961 175.4442 127 K 4.4074 7.7511 116.6712 56.7199 34.7125 177.0670 128 V 3.8385 7.7461 117.9917 63.0215 32.0723 174.4476 129 K 4.4817 8.8898 126.2935 57.7534 33.1870 176.3625 130 E 4.8733 8.2659 117.1672 54.5008 33.5062 175.1672 131 I 4.9481 8.7111 122.3832 59.5607 41.3404 174.5729 132 S 5.2694 9.0850 120.9374 56.5985 66.2812 173.1930 133 R 4.9771 8.7096 120.2934 54.5431 33.9512 174.0396 134 E 5.1992 8.9508 122.8086 54.5933 33.2008 174.8499 135 F 5.4550 9.3835 123.2716 55.9501 42.5064 174.3438 136 E 5.1072 9.1687 122.1160 54.8293 33.4932 173.5981 137 L 4.7035 8.6501 129.8284 54.5743 42.9984 176.3816 138 V 4.2293 8.9220 120.2231 60.2991 33.8279 175.3744 139 D 4.3555 9.9139 126.4344 55.2227 39.4849 174.4132 140 G 4.0780 8.4140 103.8968 45.2612 0.0000 173.7175 141 K 4.9591 8.0647 119.8575 54.8697 34.7394 175.3850 142 L 4.6769 8.9626 126.5904 54.1790 43.1221 175.4141 143 S 5.4064 9.0610 121.8475 56.8392 66.0920 172.6857 144 Y 5.3202 8.2304 118.9540 55.5654 42.1484 173.7655 145 V 4.8793 8.7195 119.3267 61.1576 35.1568 174.0892 146 V 4.7877 9.0533 127.9085 61.4629 33.7850 175.0156 147 R 5.4491 8.8305 126.7925 53.6055 33.7332 174.8097 *149 S 4.9074 8.3212 113.4445 59.0846 63.4861 172.7952 150 T 5.1695 8.7312 110.0705 59.8801 71.7933 174.6532 151 T 4.1688 8.7041 117.2811 66.3410 68.3302 175.3156 152 T 4.3913 7.3572 108.0632 61.1333 70.5172 173.6826 153 N 4.8139 8.2078 120.9700 50.6344 39.6025 172.8401 154 P 4.6295 0.0000 0.0000 61.5679 32.1562 176.0892 155 L 3.9370 8.2892 121.5485 56.1217 42.1516 176.3686 156 Q 4.6105 8.5034 121.3722 54.2883 31.0915 171.5408 157 P 4.4205 0.0000 0.0000 64.0418 32.0614 174.6578 158 H 5.7352 9.3630 120.2812 56.3460 32.2145 172.8322 159 L 5.4520 7.8983 117.0347 52.8257 45.8070 175.3387 160 K 4.9297 8.8087 119.8620 55.7199 36.3641 174.7842 161 A 4.7138 7.5872 122.4466 50.6950 23.2827 174.9461 162 I 5.0377 8.2667 119.3218 59.4954 41.1715 174.7682 163 L 5.2019 9.1249 126.2627 53.0989 45.5078 175.4861 164 D 5.1735 9.0929 122.7854 53.2395 42.8170 175.7428 165 K 3.6393 8.5620 123.8337 56.0305 32.9323 176.6133 166 L 4.2473 8.3400 126.8694 54.9645 41.2869 176.6958 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 14 P 0.00 4.41 0.00 2.08 2.06 0.00 3.60 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 1.90 2.07 0.00 15 P 0.00 4.26 0.00 2.30 2.18 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 16 V 8.32 3.58 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 0.69 0.00 0.00 0.85 0.00 0.00 17 H 8.68 4.22 0.00 3.37 3.10 0.00 5.74 0.00 0.00 0.00 0.00 6.80 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 4.38 0.00 2.18 2.16 0.00 3.05 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.11 0.00 19 F 8.49 4.67 0.00 2.89 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 20 V 8.01 3.82 2.18 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 1.00 0.00 0.00 1.01 0.00 0.00 21 A 8.16 3.95 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 22 P 0.00 4.35 0.00 1.96 2.30 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 23 L 7.76 4.17 0.00 1.40 1.02 0.56 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.89 4.07 0.00 3.99 4.14 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 25 Y 7.84 4.34 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.04 4.16 0.00 1.04 0.61 -0.31 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.51 4.25 0.00 1.76 1.67 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.75 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 0.00 0.00 0.00 0.00 29 T 8.10 5.26 4.21 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 1.33 0.00 0.00 30 W 9.42 5.57 0.00 3.33 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 31 R 9.25 5.19 0.00 2.00 1.86 0.00 3.29 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.21 0.00 32 G 9.21 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 0.00 0.00 0.00 0.00 33 Q 8.53 4.80 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 34 G 8.02 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 35 E 8.81 4.93 0.00 1.66 1.58 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 2.04 2.01 0.00 36 G 8.03 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 37 E 8.60 5.22 0.00 2.05 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 2.17 2.29 0.00 38 Y 8.61 4.71 0.00 3.06 2.85 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 39 P 0.00 4.17 0.00 1.94 2.02 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.85 0.00 40 T 8.06 4.23 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 1.28 0.00 0.00 41 I 7.44 4.59 1.99 0.00 0.00 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 1.58 0.92 0.98 0.00 0.00 42 P 0.00 4.60 0.00 2.28 2.14 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 43 S 8.45 4.83 0.00 4.00 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 44 F 8.80 5.14 0.00 3.12 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 45 R 8.72 5.20 0.00 1.69 1.75 0.00 3.20 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 46 Y 8.10 4.95 0.00 2.98 3.09 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 47 G 8.36 3.44 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 0.00 0.00 0.00 0.00 48 E 8.13 4.91 0.00 2.14 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 49 E 9.45 5.44 0.00 2.63 2.07 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 2.32 2.58 0.00 50 I 9.08 5.11 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.52 0.00 0.00 51 R 8.79 5.12 0.00 1.83 1.66 0.00 3.04 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 52 F 9.23 5.62 0.00 3.22 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 53 S 9.09 5.11 0.00 3.88 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 54 H 8.44 5.31 0.00 3.26 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.45 4.54 0.00 3.94 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 56 G 8.96 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 57 K 7.50 4.42 0.00 1.76 1.73 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.35 7.81 58 P 0.00 4.48 0.00 2.24 1.50 0.00 3.65 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 1.93 1.75 0.00 59 V 7.37 4.79 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 0.97 0.00 0.00 0.94 0.00 0.00 60 I 9.02 4.80 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.60 1.01 0.00 0.00 61 A 9.20 4.65 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 62 Y 8.73 4.91 0.00 2.82 2.92 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 63 T 8.08 4.56 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 1.10 0.00 0.00 64 Q 8.57 5.01 0.00 1.46 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.45 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 65 K 9.10 5.30 0.00 1.96 1.89 0.00 1.41 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.82 7.81 66 T 8.77 5.20 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 1.13 0.00 0.00 67 W 8.07 5.46 0.00 3.58 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 68 K 9.30 4.45 0.00 1.85 2.05 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 69 L 9.01 4.20 0.00 1.70 1.82 0.90 0.97 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 70 E 8.43 4.20 0.00 2.12 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 0.00 2.33 2.28 0.00 71 S 8.18 4.46 0.00 4.01 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 72 G 8.57 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 0.00 0.00 0.00 0.00 73 A 7.99 4.16 1.31 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 0.00 0.00 74 P 0.00 4.69 0.00 1.97 2.07 0.00 3.73 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 2.04 2.14 0.00 *76 H 8.50 4.73 0.00 3.07 3.24 0.00 5.62 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 77 A 8.66 5.21 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 78 E 8.88 5.18 0.00 2.19 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 2.37 2.30 0.00 79 S 8.36 4.63 0.00 3.78 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 80 G 7.93 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 81 Y 8.19 5.35 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 82 F 9.83 4.98 0.00 2.85 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 83 R 9.12 4.81 0.00 1.87 1.88 0.00 3.16 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 84 P 0.00 5.09 0.00 1.97 1.87 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 85 R 8.93 4.49 0.00 1.67 1.57 0.00 3.15 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 86 P 0.00 4.25 0.00 2.07 2.12 0.00 3.01 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 87 D 7.80 4.34 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 88 G 8.34 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 0.00 0.00 0.00 89 S 8.14 4.89 0.00 3.90 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 90 I 8.44 5.14 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.23 1.01 0.00 0.00 91 E 8.92 5.25 0.00 2.06 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 2.18 2.22 0.00 92 V 8.77 4.74 1.71 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 0.36 0.00 0.00 0.01 0.00 0.00 93 V 8.75 5.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.17 0.00 0.00 94 I 8.68 5.19 1.90 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 1.32 0.77 1.07 0.00 0.00 95 A 9.21 5.14 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 96 Q 8.86 5.04 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 97 S 8.95 4.10 0.00 3.97 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.74 3.95 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 1.09 0.00 0.00 99 G 8.41 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 0.00 100 L 7.66 4.96 0.00 1.77 1.56 0.89 0.86 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 0.00 101 V 8.35 5.05 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 0.78 0.00 0.00 0.94 0.00 0.00 102 E 9.16 5.11 0.00 1.84 1.75 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 2.19 2.22 0.00 103 V 8.66 4.60 2.07 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 1.05 0.00 0.00 0.94 0.00 0.00 104 Q 9.13 5.13 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 105 K 9.07 4.96 0.00 1.63 1.62 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.32 1.35 7.81 106 G 8.09 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 0.00 0.00 0.00 0.00 107 T 8.38 5.27 4.16 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 1.17 0.00 0.00 108 Y 8.56 5.36 0.00 3.10 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 0.00 109 N 9.10 4.83 0.00 2.75 2.72 0.00 0.00 7.04 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.77 3.75 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 1.01 0.00 0.00 1.16 0.00 0.00 111 D 8.20 4.42 0.00 2.83 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 0.00 112 E 8.57 4.24 0.00 1.98 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 2.46 0.00 113 Q 7.66 3.26 0.00 1.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.67 0.00 0.00 0.00 0.00 0.00 1.86 2.18 0.00 114 S 7.95 5.43 0.00 3.98 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 0.00 115 I 8.93 5.18 2.19 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 1.06 0.00 0.00 116 K 9.46 4.95 0.00 1.67 1.69 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 117 L 8.93 5.39 0.00 1.66 1.62 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.93 5.05 0.00 1.63 1.62 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 119 S 8.60 4.66 0.00 4.03 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 0.00 120 D 9.12 4.59 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.56 4.52 0.00 1.68 1.44 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.52 4.77 2.07 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 0.84 0.00 0.00 0.95 0.00 0.00 123 G 9.09 4.02 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 0.00 0.00 0.00 124 N 8.77 4.07 0.00 2.84 3.08 0.00 0.00 6.95 7.96 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 0.00 125 A 7.82 4.63 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 0.00 126 S 8.64 4.36 0.00 3.98 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 0.00 127 K 7.75 4.41 0.00 1.68 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.37 7.81 128 V 7.75 3.84 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 0.74 0.00 0.00 0.82 0.00 0.00 129 K 8.89 4.48 0.00 1.66 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.54 7.81 130 E 8.27 4.87 0.00 1.80 1.80 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 2.23 2.29 0.00 131 I 8.71 4.95 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 0.92 0.00 0.00 132 S 9.09 5.27 0.00 3.97 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 0.00 133 R 8.71 4.98 0.00 1.69 1.53 0.00 3.00 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 134 E 8.95 5.20 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 135 F 9.38 5.45 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.17 5.11 0.00 2.04 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 137 L 8.65 4.70 0.00 1.46 1.35 1.19 0.84 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 0.00 138 V 8.92 4.23 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 0.69 0.00 0.00 1.01 0.00 0.00 139 D 9.91 4.36 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.41 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 0.00 0.00 0.00 141 K 8.06 4.96 0.00 1.89 1.96 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.45 7.81 142 L 8.96 4.68 0.00 0.42 1.16 0.81 0.41 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 0.00 143 S 9.06 5.41 0.00 3.83 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 0.00 144 Y 8.23 5.32 0.00 2.54 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 0.00 145 V 8.72 4.88 2.07 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 0.94 0.00 0.00 0.89 0.00 0.00 146 V 9.05 4.79 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 0.91 0.00 0.00 0.80 0.00 0.00 147 R 8.83 5.45 0.00 1.82 1.96 0.00 3.23 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.40 0.00 *149 S 8.32 4.91 0.00 4.06 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 0.00 150 T 8.73 5.17 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 1.31 0.00 0.00 151 T 8.70 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 T 7.36 4.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 153 N 8.21 4.81 0.00 2.98 2.72 0.00 0.00 6.84 7.73 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 0.00 154 P 0.00 4.63 0.00 2.03 1.99 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 155 L 8.29 3.94 0.00 1.60 1.64 0.92 0.68 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 0.00 156 Q 8.50 4.61 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 157 P 0.00 4.42 0.00 2.09 2.07 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 158 H 9.36 5.74 0.00 3.31 3.42 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.90 5.45 0.00 1.79 1.74 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 160 K 8.81 4.93 0.00 1.61 1.75 0.00 1.21 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.20 1.22 7.81 161 A 7.59 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 8.27 5.04 1.81 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 1.15 1.39 0.92 0.00 0.00 163 L 9.12 5.20 0.00 1.82 1.84 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 164 D 9.09 5.17 0.00 2.70 2.64 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 0.00 0.00 0.00 165 K 8.56 3.64 0.00 0.96 1.35 0.00 1.28 0.00 0.00 1.41 0.00 0.00 2.65 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.78 0.21 7.81 166 L 8.34 4.25 0.00 1.45 1.51 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.