NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7960 8.2127 109.7395 45.8030 0.0000 175.5353 *2 H 4.6294 7.9763 119.8023 55.9042 31.8070 175.2200 3 T 3.9233 7.9231 115.4801 66.6882 68.2759 176.2865 4 Q 3.9885 8.4244 121.8197 59.0007 29.0547 177.7802 5 E 3.8948 8.1667 119.7361 59.3051 29.7346 178.5106 6 A 4.0774 7.9783 120.6079 55.2380 18.4417 179.6523 7 L 4.0066 8.0713 117.5436 57.7710 41.6585 179.3505 8 F 4.5080 8.3993 120.5738 60.7303 39.3384 177.6450 9 V 3.0647 7.8723 118.3121 65.5777 31.2806 177.8053 10 R 3.7627 7.9986 118.3760 59.4891 30.0463 178.2262 11 L 3.9092 7.8988 118.3471 57.9416 41.6504 179.6017 12 A 3.7482 7.4734 120.3652 55.0340 18.1681 179.7544 13 L 3.8186 8.0148 117.9055 57.8237 41.5560 179.3643 14 D 4.3806 8.6664 119.0678 57.3394 40.7181 178.7817 15 A 3.9713 7.9338 120.9786 54.7326 18.3084 179.3495 16 W 4.1123 8.1711 126.9243 60.9495 30.7190 178.0202 17 N 4.3504 8.7716 116.6926 56.4526 37.9405 177.7009 18 T 3.8522 8.1777 117.4177 66.8160 68.5120 176.8794 19 Q 3.9767 8.1467 120.0000 58.9276 28.6334 178.9840 20 S 4.0195 7.9698 116.4606 61.4281 62.7195 176.6285 21 S 4.0913 8.2640 116.0411 61.5428 62.2046 176.4436 22 R 3.9011 7.9929 120.6556 59.4928 29.6956 179.2670 23 T 3.7521 8.2013 115.7838 66.6413 68.4086 176.1940 24 D 4.5321 8.6414 120.3335 57.5594 41.0630 178.5457 25 K 4.0005 8.1516 118.0231 59.0533 32.4149 178.9010 26 L 4.0517 7.9513 120.6759 58.2382 42.1089 179.0019 27 I 3.5653 7.8054 119.8992 64.6563 36.8237 178.5178 28 Q 4.0616 8.1561 117.8693 58.7204 28.5752 178.5583 29 S 4.2833 7.7571 113.4693 58.9237 63.7170 174.0426 30 L 4.5497 7.0970 123.1744 53.0228 43.0310 177.1967 31 S 4.3982 8.2825 117.8446 57.9565 65.3456 175.1344 32 N 4.2619 8.5815 119.5879 56.4845 38.0379 177.1747 33 E 3.9166 8.1179 118.8679 59.3516 30.1658 178.3344 34 A 4.1184 8.2214 120.8762 54.9690 18.5426 179.3903 35 L 3.9501 8.2313 118.8592 57.9802 41.9267 178.7927 36 A 4.2147 7.6854 120.5505 52.6926 19.0290 178.0891 37 V 3.7233 6.8450 117.1330 62.3744 32.2847 175.2917 38 E 4.3182 8.5699 125.4041 56.5358 29.8632 177.6990 39 T 3.9941 8.7737 113.7342 64.5536 69.1929 174.0863 40 A 4.5160 7.5861 122.2299 50.0410 21.8880 173.2928 41 P 4.4059 0.0000 0.0000 64.4902 31.4622 177.3661 42 G 3.8674 9.2213 111.4326 45.5703 0.0000 172.7367 43 R 4.6242 7.7220 118.3925 53.7821 33.0083 175.6654 44 N 4.6413 8.5924 117.1555 53.8383 39.7228 175.4881 45 S 4.7180 9.5878 117.8855 57.9968 64.4321 175.5028 46 G 3.6483 8.6720 107.6354 48.3386 0.0000 176.0607 47 T 3.8490 7.8246 117.7615 66.6366 68.5271 175.9518 48 Y 4.4451 8.2809 121.1683 60.9085 38.8259 178.0744 49 L 4.0028 8.1495 119.9311 57.4428 41.6147 179.1629 50 L 3.6473 8.1755 120.8952 58.0727 41.9235 179.3678 51 G 2.0656 7.4740 105.4353 47.2890 0.0000 174.9881 52 H 4.1474 8.0480 120.9971 59.1140 29.8170 177.2742 53 L 3.9651 8.0655 120.9997 58.0612 41.3559 179.7562 54 T 4.0756 8.1090 115.4089 66.7247 68.4840 176.5776 55 A 4.0559 8.2630 122.9982 55.1644 18.1833 179.8710 56 V 3.5735 7.8430 115.9864 66.5374 31.6990 177.7383 57 H 4.6060 8.4649 115.2041 58.9030 28.6485 176.8875 58 D 4.4653 8.4708 119.2462 56.9028 41.6449 178.5490 59 A 4.2326 8.0913 122.9396 51.7971 15.9058 178.4655 *61 L 4.1833 7.6589 126.0752 54.5534 44.3853 178.5614 62 P 4.4621 0.0000 0.0000 64.9156 31.8380 178.2042 63 L 3.9028 7.7523 120.1533 57.4833 42.0366 177.8799 64 L 4.3421 7.7945 115.3159 53.6435 41.9425 175.8414 65 E 3.7094 7.6984 117.0380 58.1178 27.1759 175.0199 66 L 4.4083 8.4614 115.0520 54.0221 42.7672 175.7819 67 G 3.8256 7.8663 105.0702 43.3920 0.0000 173.3433 68 D 4.6002 8.1581 119.6839 53.3446 41.5287 176.8242 69 T 4.0408 8.0810 110.8639 62.1114 69.2147 174.4518 70 L 3.7756 9.1025 124.2746 57.1930 42.5395 177.4304 71 Y 4.8208 8.2157 115.0410 54.7695 38.2698 174.3115 72 P 4.2930 0.0000 0.0000 66.1495 31.4466 178.3037 73 Q 4.1950 8.0171 115.6817 57.9184 28.9185 177.8067 74 L 4.3702 8.2573 120.5203 57.4033 41.5345 179.1066 75 A 4.0704 8.1070 121.1821 54.7535 18.4061 177.8469 76 P 4.4182 0.0000 0.0000 65.1084 31.1746 179.0195 77 V 3.5915 7.6668 115.7912 64.9311 31.6842 176.9642 78 F 4.6636 8.2105 113.7762 56.9839 39.9847 175.4151 79 I 4.5366 7.6424 116.7842 63.1465 39.5091 177.0002 80 Q 4.2604 8.3935 118.5751 57.4523 28.9793 175.7034 81 N 5.2234 7.5373 112.8933 50.3695 41.9687 172.3901 82 P 4.4992 0.0000 0.0000 61.7340 32.8510 176.7569 83 D 3.8470 7.7580 117.3442 57.0711 40.8005 177.1135 84 K 4.5093 7.5913 117.2973 56.3986 32.4795 178.9035 85 S 4.0332 7.5545 116.6567 59.7216 62.9357 175.4998 86 G 3.9405 7.5750 108.5113 45.0710 0.0000 173.6270 87 L 4.1442 7.5076 119.9567 53.9631 42.2546 176.6134 88 E 4.0504 8.6068 123.7035 56.1749 30.2399 176.2750 89 K 4.6013 8.2313 124.7623 53.9436 34.2812 174.5674 90 P 4.5512 0.0000 0.0000 62.2738 32.1837 177.0248 91 E 4.1388 8.5722 119.4392 56.6497 31.2352 178.5439 92 I 3.7007 8.2767 122.8079 64.7664 37.3686 178.6467 93 N 4.2739 8.0410 116.6665 56.0266 38.2750 177.1611 94 D 3.8920 7.8055 120.1636 57.0441 40.8745 178.3684 95 L 3.8316 7.6297 119.4186 57.8415 41.7104 179.7247 96 R 3.9069 8.0585 118.1187 59.2010 29.9339 178.9120 97 L 3.9262 7.6003 119.7184 58.2966 42.0141 178.4765 98 Y 4.1964 7.6018 116.9944 60.8153 37.6700 178.2741 99 W 4.3646 8.4809 129.3874 61.0007 30.7682 178.1994 100 S 3.8734 8.1077 114.4698 61.4812 62.1960 176.7724 101 L 4.0557 8.2765 121.8956 57.4471 41.4080 179.5920 102 V 3.5368 8.1518 118.4836 66.1445 31.4486 178.0076 103 Q 3.8145 7.8476 117.9394 59.1139 28.3900 178.9659 104 E 3.8821 8.0253 119.4807 59.1524 29.3866 179.4246 105 R 3.7673 8.0724 118.9278 59.2501 30.1839 178.5076 106 L 3.3243 7.8104 118.5884 57.4385 41.4587 179.2697 107 A 3.8902 7.8951 120.7851 55.1299 18.0995 178.8450 108 N 4.1558 7.9993 114.3901 57.1926 39.1686 176.7054 109 Q 4.0745 8.0208 119.0526 58.9793 28.7633 178.6828 110 F 4.5363 8.4296 119.1103 60.9719 38.8031 177.5037 111 N 4.6030 8.4821 114.4283 55.4761 38.4099 176.4645 112 Q 4.3880 7.5679 117.4085 55.1674 29.7157 175.7796 113 L 4.1340 7.2431 120.8572 54.3253 42.4646 176.7353 114 Q 4.5073 9.5252 122.8193 54.3823 30.3971 175.0298 115 P 4.5039 0.0000 0.0000 66.2241 31.3176 178.6253 116 A 4.3142 8.2733 118.7136 55.6559 18.3332 179.2588 117 D 4.2870 8.4320 117.3456 57.1667 40.8020 178.9369 118 W 4.0574 8.1006 118.7050 58.6157 28.7075 177.3220 119 F 4.6989 7.8454 115.8417 56.6175 39.2109 175.5603 120 N 4.6573 7.4427 117.3464 51.7716 39.4344 174.7993 121 K 3.8502 7.2383 118.9554 56.7113 33.0381 176.4925 122 H 4.5296 7.6644 116.1341 54.4379 29.7226 176.0381 123 A 4.0675 8.7669 122.1499 54.0071 18.1848 178.1840 124 A 4.6190 8.1319 117.1539 51.5481 19.4321 176.3111 125 I 4.6198 7.0817 115.6483 58.8650 40.9559 176.1073 126 S 4.4208 8.3637 121.2186 57.8891 65.2219 175.4505 127 R 4.0056 8.6680 124.8412 60.3082 28.5392 179.5382 128 E 4.0108 8.2685 117.3271 61.6304 29.7920 180.6815 129 D 4.8047 8.2845 119.9104 56.7745 40.6702 178.6755 130 F 4.1646 8.4008 121.0226 61.0896 39.3858 176.6744 131 L 4.0392 7.7711 117.9861 57.8771 41.4960 179.4059 132 K 4.2148 7.3603 114.8629 57.9842 33.5775 177.4036 133 E 4.6275 7.7781 117.6917 53.7994 29.5584 174.5008 134 P 2.9700 0.0000 0.0000 63.8717 32.0090 178.0884 135 H 4.4658 7.8595 114.0309 57.5863 28.1008 176.0629 136 R 4.3587 7.8490 123.3284 55.2145 28.2251 173.8503 137 N 5.4908 7.8523 117.4055 50.5845 40.9822 176.4299 138 K 4.0671 8.5834 116.7842 59.6444 31.7414 179.3360 139 L 3.7294 8.1587 121.0220 57.9791 41.8847 179.2033 140 S 4.1339 8.6421 114.4808 61.2263 62.7826 176.7927 141 V 3.5315 7.5251 120.8193 65.6365 31.3355 177.5473 142 L 3.6984 7.6768 119.9210 58.2614 41.9264 179.0253 143 I 3.6617 7.8114 119.6926 64.3594 37.0723 177.9144 144 N 4.3385 8.2760 117.7827 56.9853 38.6440 177.1702 145 R 4.2146 8.2443 118.0005 59.0625 30.1990 178.9209 146 T 4.2282 8.0192 115.4547 66.8867 68.8270 176.1399 147 N 4.6261 8.2406 118.0366 56.1849 38.5781 177.2863 148 H 4.0953 8.3227 116.1795 57.0297 29.7790 176.4966 *150 A 4.2174 7.9075 123.5227 51.9804 20.2237 178.9724 151 Y 3.9988 8.1526 116.2492 61.5159 38.6934 178.3761 152 H 4.3110 8.2352 116.4111 58.3874 28.7915 177.5468 153 L 3.9620 7.8852 122.2495 57.9594 41.7128 179.0155 154 G 3.4094 7.7583 104.9419 47.4188 0.0000 175.4151 155 Q 3.7417 7.1553 119.8261 58.5809 28.9411 178.1575 156 L 3.9119 8.0629 120.0586 57.8997 41.4795 179.3436 157 A 3.9805 7.9644 120.5144 55.3597 18.0060 178.4730 158 Y 4.6583 7.6436 112.4868 59.2915 38.1893 176.9978 159 L 4.5036 7.9118 119.8899 54.8004 42.0909 176.7685 160 K 4.2223 7.5443 118.9570 55.6867 31.7940 177.1393 161 K 4.1783 8.5108 122.7481 56.3983 32.2754 176.5650 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 0 G 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 H 7.98 4.63 0.00 3.21 3.35 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 3 T 7.92 3.92 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 4 Q 8.42 3.99 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 5 E 8.17 3.89 0.00 2.00 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 2.57 2.08 0.00 6 A 7.98 4.08 1.40 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 7 L 8.07 4.01 0.00 1.94 1.79 0.95 0.75 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 8 F 8.40 4.51 0.00 3.07 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 9 V 7.87 3.06 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 0.52 0.00 0.00 0.97 0.00 0.00 10 R 8.00 3.76 0.00 1.92 2.10 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 11 L 7.90 3.91 0.00 1.89 1.70 1.06 0.90 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 12 A 7.47 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.01 3.82 0.00 1.59 1.68 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.67 4.38 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 15 A 7.93 3.97 1.38 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 16 W 8.17 4.11 0.00 3.43 3.24 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 17 N 8.77 4.35 0.00 3.01 2.91 0.00 0.00 7.10 6.61 0.00 0.00 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 T 8.18 3.85 4.38 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 1.20 0.00 0.00 19 Q 8.15 3.98 0.00 1.88 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 20 S 7.97 4.02 0.00 3.79 3.74 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 21 S 8.26 4.09 0.00 3.92 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 22 R 7.99 3.90 0.00 2.01 1.93 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 23 T 8.20 3.75 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 0.79 0.00 0.00 24 D 8.64 4.53 0.00 3.16 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 25 K 8.15 4.00 0.00 1.83 1.86 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.56 7.81 26 L 7.95 4.05 0.00 1.79 1.74 0.89 0.67 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 27 I 7.81 3.57 1.80 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.30 0.70 0.00 0.00 28 Q 8.16 4.06 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 29 S 7.76 4.28 0.00 4.05 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 30 L 7.10 4.55 0.00 1.63 1.59 0.86 0.87 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 31 S 8.28 4.40 0.00 4.03 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 32 N 8.58 4.26 0.00 2.82 2.90 0.00 0.00 6.43 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 33 E 8.12 3.92 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 34 A 8.22 4.12 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 35 L 8.23 3.95 0.00 1.85 1.80 0.83 1.08 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 36 A 7.69 4.21 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 37 V 6.85 3.72 2.21 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 0.95 0.00 0.00 0.97 0.00 0.00 38 E 8.57 4.32 0.00 2.00 2.14 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 2.42 2.30 0.00 39 T 8.77 3.99 4.42 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 1.26 0.00 0.00 40 A 7.59 4.52 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 41 P 0.00 4.41 0.00 2.05 2.03 0.00 3.74 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 2.02 2.09 0.00 42 G 9.22 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.72 4.62 0.00 1.80 1.88 0.00 3.36 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 44 N 8.59 4.64 0.00 2.70 2.88 0.00 0.00 6.57 7.57 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 45 S 9.59 4.72 0.00 4.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.67 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.82 3.85 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 48 Y 8.28 4.45 0.00 3.39 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 49 L 8.15 4.00 0.00 1.82 1.62 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.18 3.65 0.00 1.52 1.62 0.32 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.47 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 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.05 4.15 0.00 2.89 3.32 0.00 5.79 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 53 L 8.07 3.97 0.00 1.59 1.73 0.70 0.72 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 54 T 8.11 4.08 4.38 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 1.38 0.00 0.00 55 A 8.26 4.06 1.40 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 56 V 7.84 3.57 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 0.89 0.00 0.00 0.81 0.00 0.00 57 H 8.46 4.61 0.00 3.44 3.54 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.47 4.47 0.00 2.89 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 59 A 8.09 4.23 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 *61 L 7.66 4.18 0.00 1.80 1.82 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.46 0.00 2.18 2.26 0.00 3.99 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 2.19 1.88 0.00 63 L 7.75 3.90 0.00 1.85 1.68 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.79 4.34 0.00 1.58 1.45 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.70 3.71 0.00 1.99 1.91 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 2.17 2.16 0.00 66 L 8.46 4.41 0.00 1.56 1.54 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.87 3.83 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 0.00 0.00 0.00 68 D 8.16 4.60 0.00 2.60 2.55 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 0.00 0.00 0.00 0.00 69 T 8.08 4.04 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 1.22 0.00 0.00 70 L 9.10 3.78 0.00 0.57 0.50 0.76 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.22 4.82 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.29 0.00 2.26 2.31 0.00 3.74 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 2.07 2.04 0.00 73 Q 8.02 4.20 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 74 L 8.26 4.37 0.00 1.89 1.95 0.96 0.71 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 75 A 8.11 4.07 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 76 P 0.00 4.42 0.00 2.17 2.12 0.00 4.03 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 2.13 2.02 0.00 77 V 7.67 3.59 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 -0.02 0.00 0.00 0.82 0.00 0.00 78 F 8.21 4.66 0.00 3.05 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.64 4.54 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.99 0.00 0.00 80 Q 8.39 4.26 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 81 N 7.54 5.22 0.00 2.86 2.68 0.00 0.00 7.02 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 82 P 0.00 4.50 0.00 2.08 2.14 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 83 D 7.76 3.85 0.00 1.71 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 0.00 0.00 0.00 0.00 84 K 7.59 4.51 0.00 1.88 1.74 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 0.98 7.81 85 S 7.55 4.03 0.00 3.90 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 86 G 7.57 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 87 L 7.51 4.14 0.00 1.60 1.55 0.88 0.68 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 88 E 8.61 4.05 0.00 1.93 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 2.35 0.00 89 K 8.23 4.60 0.00 1.87 1.92 0.00 1.95 0.00 0.00 2.04 0.00 0.00 3.30 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.22 1.45 7.81 90 P 0.00 4.55 0.00 2.18 2.19 0.00 4.09 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 91 E 8.57 4.14 0.00 2.09 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 2.41 2.35 0.00 92 I 8.28 3.70 1.85 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 1.64 0.69 0.94 0.00 0.00 93 N 8.04 4.27 0.00 2.67 2.79 0.00 0.00 7.15 8.08 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 94 D 7.81 3.89 0.00 2.64 2.14 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 95 L 7.63 3.83 0.00 1.77 1.59 0.91 0.83 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 96 R 8.06 3.91 0.00 1.94 1.98 0.00 3.18 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 97 L 7.60 3.93 0.00 1.65 1.48 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.60 4.20 0.00 2.86 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 99 W 8.48 4.36 0.00 3.36 3.33 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 0.00 100 S 8.11 3.87 0.00 4.13 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 0.00 101 L 8.28 4.06 0.00 1.92 1.84 1.10 0.84 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 0.00 102 V 8.15 3.54 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 1.11 0.00 0.00 1.20 0.00 0.00 103 Q 7.85 3.81 0.00 1.74 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 104 E 8.03 3.88 0.00 2.04 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 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0.00 1.69 1.29 -0.27 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 9.53 4.51 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 115 P 0.00 4.50 0.00 2.24 2.29 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 116 A 8.27 4.31 1.42 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 0.00 117 D 8.43 4.29 0.00 2.46 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 W 8.10 4.06 0.00 3.15 2.57 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 0.00 119 F 7.85 4.70 0.00 3.32 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 0.00 120 N 7.44 4.66 0.00 2.81 2.55 0.00 0.00 6.71 7.36 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 0.00 121 K 7.24 3.85 0.00 1.23 0.74 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.99 1.13 7.81 122 H 7.66 4.53 0.00 3.61 3.47 0.00 5.46 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.77 4.07 1.34 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 0.00 124 A 8.13 4.62 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.08 4.62 1.84 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 1.42 1.04 0.71 0.00 0.00 126 S 8.36 4.42 0.00 4.10 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 0.00 127 R 8.67 4.01 0.00 1.98 2.07 0.00 3.26 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.28 0.00 128 E 8.27 4.01 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.99 0.00 129 D 8.28 4.80 0.00 2.74 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 0.00 130 F 8.40 4.16 0.00 3.00 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 0.00 131 L 7.77 4.04 0.00 1.89 1.72 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.36 4.21 0.00 1.80 1.85 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 133 E 7.78 4.63 0.00 1.90 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 2.25 2.19 0.00 134 P 0.00 2.97 0.00 1.91 1.54 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 135 H 7.86 4.47 0.00 3.34 3.52 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.85 4.36 0.00 2.09 2.01 0.00 3.20 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.35 0.00 137 N 7.85 5.49 0.00 3.47 3.48 0.00 0.00 7.05 6.96 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 0.00 138 K 8.58 4.07 0.00 2.00 1.84 0.00 1.58 0.00 0.00 1.31 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.62 7.81 139 L 8.16 3.73 0.00 1.45 1.59 -0.22 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.64 4.13 0.00 4.17 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 0.00 141 V 7.53 3.53 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 1.05 0.00 0.00 0.86 0.00 0.00 142 L 7.68 3.70 0.00 1.41 1.42 -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.81 3.66 1.86 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 1.29 0.85 0.94 0.00 0.00 144 N 8.28 4.34 0.00 2.84 3.04 0.00 0.00 7.30 7.22 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 0.00 145 R 8.24 4.21 0.00 2.07 2.33 0.00 3.46 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 146 T 8.02 4.23 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 1.33 0.00 0.00 147 N 8.24 4.63 0.00 2.97 2.91 0.00 0.00 6.70 7.45 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 0.00 148 H 8.32 4.10 0.00 3.25 3.55 0.00 5.61 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 *150 A 7.91 4.22 1.40 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 0.00 151 Y 8.15 4.00 0.00 3.04 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 0.00 152 H 8.24 4.31 0.00 3.26 3.30 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 0.00 153 L 7.89 3.96 0.00 1.69 1.80 0.84 1.00 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 0.00 154 G 7.76 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 0.00 155 Q 7.16 3.74 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 156 L 8.06 3.91 0.00 1.70 1.64 0.74 0.56 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 0.00 157 A 7.96 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 7.64 4.66 0.00 3.13 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 0.00 159 L 7.91 4.50 0.00 1.72 1.71 0.89 0.94 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 0.00 160 K 7.54 4.22 0.00 1.83 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.40 7.81 161 K 8.51 4.18 0.00 1.71 1.68 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.