NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4219 8.3231 115.5488 58.0185 64.6214 172.6600 3 G 4.1681 8.6048 108.2667 44.8689 0.0000 171.6728 4 K 4.7947 9.1449 119.4977 54.1889 36.0313 173.4891 5 L 4.8289 8.6361 125.7396 53.6772 44.1897 174.9892 6 T 4.8119 8.0745 123.0452 61.6149 71.3268 173.1568 7 V 4.6792 8.6662 126.8197 61.1827 34.2364 174.0967 8 I 4.9499 9.0373 129.5806 60.2485 38.9105 174.8739 9 T 5.3302 9.3642 121.0102 59.2453 72.0044 173.1204 10 G 4.1562 8.2252 112.0447 43.5643 0.0000 170.0202 11 P 4.5838 0.0000 0.0000 61.6967 32.4546 175.5132 12 M 3.9688 7.8219 117.7410 56.7378 31.9827 176.0597 13 Y 3.7927 7.9399 116.8220 59.3485 35.4272 170.7394 14 S 4.7335 7.7989 111.6550 57.9770 63.7666 174.1921 15 G 3.8950 8.1212 109.0764 47.3114 0.0000 176.5627 16 K 4.0069 8.2769 120.4772 59.4505 32.2036 178.8064 17 T 3.9196 7.9061 115.7421 66.9904 68.4648 176.6710 18 T 3.9078 7.8750 111.1647 64.4719 68.4506 175.8922 19 E 3.8656 8.1455 122.1715 59.1143 29.5844 178.7274 20 L 4.2699 8.1798 119.9747 58.4816 42.3342 178.8071 21 L 3.9101 8.1115 119.1459 57.8567 41.3633 179.8095 22 S 4.0456 8.0609 114.2437 61.3712 62.8305 176.6111 23 F 4.2170 7.6541 120.2682 59.8805 38.5160 177.8141 24 V 2.4699 7.3379 118.0752 65.7481 31.1734 177.9733 25 E 3.8760 8.0144 118.0717 59.4225 29.3355 179.2686 26 I 3.7226 7.5501 119.5768 64.6616 37.1790 178.1087 27 Y 3.9243 8.2402 119.3644 61.7225 37.7057 178.9226 28 K 3.9244 8.3554 124.8338 60.2915 31.4675 180.9114 29 L 4.3546 8.0054 119.0982 57.2709 41.5927 178.9860 30 G 3.7916 7.7386 102.5899 43.9106 0.0000 173.3721 31 K 3.8967 7.5810 118.6414 57.2273 30.2223 175.4262 32 K 4.6190 7.8246 116.5877 55.1805 34.0576 177.2586 33 K 4.3956 8.6098 122.9900 56.3935 33.1984 176.4913 34 V 5.8042 8.7479 116.5771 58.5493 36.0750 174.6826 35 A 4.8154 8.6305 122.2515 50.3708 22.5889 175.1240 36 V 4.9700 8.3555 121.4403 61.2572 34.6401 174.5298 37 F 5.7322 9.2744 123.8960 55.1758 43.9238 173.4505 38 K 5.0803 8.6812 120.3282 54.0985 35.7761 175.3257 39 P 4.9709 0.0000 0.0000 61.9748 30.5844 176.7991 *58 V 3.7573 7.7460 118.3886 62.7280 31.9376 173.9329 59 E 4.6415 8.4378 123.9597 54.2054 32.1855 174.7365 60 A 4.8806 8.2650 124.8476 50.3853 21.5030 175.3290 61 H 4.7562 8.6633 119.4328 53.8087 32.2531 173.2337 62 V 4.9454 8.3329 121.9169 61.5511 32.7739 174.9753 63 I 4.8157 9.1488 121.0412 59.4808 40.6968 176.0026 64 E 4.1488 9.5587 124.6308 58.0228 30.3821 176.7672 65 R 4.8960 8.4956 117.0361 53.2824 33.3424 174.8625 66 P 3.8538 0.0000 0.0000 65.8198 30.8111 178.8306 67 E 3.9886 8.1222 116.4456 58.9778 28.6213 178.6620 68 E 4.1764 8.1568 118.2545 58.6374 29.3764 178.8519 69 M 3.9787 7.8787 119.6739 57.9661 31.8101 178.1410 70 R 3.7953 7.4703 118.4983 59.3568 30.1387 178.0632 71 K 4.0478 7.1809 114.2116 58.4249 32.6328 176.8228 72 Y 4.7028 7.8958 116.4363 57.7952 38.5822 175.1402 73 I 4.4041 7.5457 121.7954 59.8368 38.1787 175.3713 74 E 4.5481 8.5503 125.5192 54.6916 30.8175 177.2234 75 E 4.1047 8.6389 121.3218 58.7344 29.8164 177.5591 76 D 4.4885 7.9841 116.8218 56.8089 41.6878 176.3263 77 T 4.3186 8.1225 117.2077 63.7875 68.7785 174.1164 78 R 4.6724 9.1485 124.7656 56.0261 33.2565 176.0831 79 G 4.3330 8.1878 105.7166 44.1768 0.0000 171.6245 80 V 5.1936 8.6429 123.9310 60.8957 34.7808 174.1201 81 F 5.4021 9.6102 126.0900 55.8067 42.3938 174.1474 82 I 5.2213 9.0233 123.8318 59.7644 40.6301 174.1794 83 D 5.3158 9.0204 126.4045 51.9667 44.4413 174.9259 84 E 3.7696 8.5230 118.0087 57.5563 26.6717 177.0948 85 V 4.1044 7.6568 111.5785 63.3825 32.1378 178.9600 86 Q 3.7919 7.3881 117.0966 57.9456 28.4590 176.9313 87 F 4.7783 7.0896 115.8306 58.3678 39.5653 176.3036 88 F 4.5951 7.4070 118.6071 56.6564 39.5944 174.8152 89 N 4.4759 8.9472 121.5996 53.5455 39.4115 174.1597 90 P 4.4072 0.0000 0.0000 65.3032 31.2094 178.7530 91 S 4.2291 8.2518 112.9171 61.2685 62.4344 176.1992 92 L 3.7827 8.0873 124.0439 57.8247 41.6154 178.5604 93 F 4.0342 8.2560 120.7964 61.5901 39.3678 177.0835 94 E 3.8684 8.2859 117.3414 58.9063 29.4135 179.3434 95 V 3.4552 7.4370 118.7877 65.9206 31.5683 178.3000 96 V 3.4296 7.8553 118.3057 65.5330 31.3086 177.8379 97 K 3.6321 7.7110 119.4149 59.5564 31.8910 178.4194 98 D 4.2894 7.8262 118.9765 57.4127 40.7274 178.8164 99 L 3.9436 7.6991 119.1743 57.7814 41.4951 179.6459 100 L 4.0991 7.8151 118.9153 57.9160 41.3366 179.3175 101 D 4.3522 7.9568 117.6248 56.4704 40.6637 177.8885 102 R 4.5276 7.3845 116.9645 55.6274 30.4641 177.1795 103 G 3.8998 8.0012 105.8731 45.3772 0.0000 173.3963 104 I 4.4393 7.4986 121.4478 60.0160 38.7854 175.0713 105 D 4.8084 8.9676 127.4710 54.0650 42.3286 175.5633 106 V 4.6301 8.1589 121.7865 60.9656 35.0227 174.0098 107 F 4.9517 8.7256 126.0536 55.8307 41.7715 173.9837 108 C 5.5313 9.0606 121.2890 57.8348 31.5764 172.9235 109 A 5.1868 8.7352 123.9116 50.1987 21.9210 175.3435 110 G 4.0550 8.2389 107.3513 45.4245 0.0000 172.5158 111 L 4.6392 9.0112 121.8220 53.9547 41.7896 177.6561 112 D 4.5394 8.7576 122.8323 55.4916 39.9264 176.4274 113 L 5.1415 7.5978 117.7767 52.2832 44.9410 176.4788 114 T 4.0366 8.0589 113.2048 61.1252 69.7654 174.5648 115 H 4.9533 8.5816 114.4626 55.9885 28.7549 175.4525 116 K 4.4605 7.7127 120.3531 55.8336 32.2257 175.3986 117 Q 3.4789 7.7037 114.4551 57.4111 26.5927 173.2152 118 N 4.8178 7.5630 113.4895 50.8899 40.5481 173.2998 119 P 4.6332 0.0000 0.0000 62.5163 32.2860 176.3484 120 F 4.4774 8.7268 121.5237 56.6400 39.4905 176.3289 121 E 3.9665 9.1431 127.0962 59.6605 29.6120 178.8333 122 T 3.9023 7.9354 115.1320 66.9781 68.6096 176.6037 123 T 3.8568 7.9513 116.8691 66.5835 68.6233 176.0511 124 A 4.0196 8.0702 122.6111 55.5660 18.2907 179.7890 125 L 3.9354 7.9168 117.0493 57.8193 41.6839 179.7382 126 L 4.1998 8.0086 118.6716 57.5896 41.3093 179.3215 127 L 4.0161 8.2028 118.8400 57.9480 41.6018 179.3382 128 S 4.2779 7.7481 113.9763 61.6188 62.8782 176.2168 129 L 4.1416 7.7356 121.0710 56.4171 42.2864 177.1290 130 A 4.0009 7.3245 120.9422 52.9706 18.8519 176.9288 131 D 4.6119 8.6610 121.3272 56.4280 41.9327 177.4466 132 T 4.6920 7.6661 113.6398 61.4946 72.6529 173.2487 133 V 4.7734 8.4642 124.5810 61.1161 34.4314 174.4493 134 I 4.5037 8.9392 128.8410 59.6228 39.5025 174.5451 135 K 4.8936 8.7206 127.1365 55.0342 33.1931 176.2889 136 K 4.6869 9.3683 125.4779 54.8375 33.9730 176.0815 137 K 4.7722 8.5787 121.7552 54.6616 34.9656 175.2128 138 A 4.9459 8.4469 124.1441 49.9249 22.5502 175.8737 139 V 4.2865 8.3899 119.4018 62.7569 32.5789 175.2492 140 C 4.4166 9.5401 129.4800 59.6677 31.6864 173.7392 141 H 4.0590 9.4234 127.8033 58.9720 29.8531 176.1855 142 R 4.2622 8.1950 118.3298 58.3607 30.1596 176.5098 143 C 4.4933 8.0711 110.0216 57.1294 29.9707 174.6586 144 G 4.0204 8.0784 107.1266 46.3972 0.0000 174.1127 145 E 4.3842 7.5524 118.2625 55.7797 30.6470 175.8528 146 Y 4.8691 8.2863 123.4599 56.1700 37.0441 175.5196 147 N 4.6289 7.6876 113.2376 53.1265 39.5495 174.9442 148 A 4.4052 8.4277 124.3043 52.5890 18.9465 178.5332 149 T 4.6042 8.5264 111.4761 61.0235 70.8624 173.6836 150 L 4.9737 8.2135 121.8460 53.2339 45.9102 175.3207 151 T 5.2975 8.4824 116.2054 61.9375 72.1662 173.1047 152 L 4.8524 9.0771 126.4350 53.2882 45.7418 174.9039 153 K 4.5947 9.0465 130.3907 56.5642 32.7623 177.1722 154 V 4.2043 9.0645 125.0933 61.0604 33.8590 171.8242 *167 E 4.5094 8.0637 118.8692 58.0313 31.2732 180.6693 *168 K 4.8164 8.7374 125.3146 53.2293 36.9138 173.2069 169 Y 5.4225 8.5993 115.5425 57.5778 40.2051 175.5143 170 I 5.0527 9.2233 115.6230 59.2548 41.9699 173.6405 171 A 5.3244 8.7135 124.0281 50.9342 21.2544 176.4613 172 V 4.9230 8.5945 113.8823 59.8552 36.9192 174.6971 173 C 4.6307 8.6655 117.5075 57.4136 30.9760 174.5762 174 R 3.8592 8.5963 119.6527 59.8370 29.4479 178.2150 175 D 4.4151 8.0410 118.1252 57.5895 40.9362 178.4042 176 C 4.2095 8.0747 116.8544 62.6363 28.2599 174.9624 177 Y 4.0298 8.3407 121.5197 61.2291 38.1502 178.4276 178 N 4.7686 8.2755 115.4616 56.4699 38.6497 177.3501 179 T 4.0505 7.8882 116.8551 65.9753 68.6211 175.9053 180 L 4.3579 8.0258 121.2464 55.0998 42.4213 177.4429 *181 K 4.2280 8.3238 125.1691 54.5325 32.7684 181.1725 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.32 4.42 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 3 G 8.60 4.17 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 0.00 0.00 0.00 4 K 9.14 4.79 0.00 1.57 1.51 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.28 7.81 5 L 8.64 4.83 0.00 1.56 1.34 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.07 4.81 3.55 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 1.07 0.00 0.00 7 V 8.67 4.68 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 1.01 0.00 0.00 0.93 0.00 0.00 8 I 9.04 4.95 1.97 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.99 1.01 0.00 0.00 9 T 9.36 5.33 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 10 G 8.23 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 0.00 0.00 0.00 0.00 11 P 0.00 4.58 0.00 2.31 2.29 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 12 M 7.82 3.97 0.00 0.78 1.58 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.19 0.00 13 Y 7.94 3.79 0.00 3.22 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 14 S 7.80 4.73 0.00 4.08 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 15 G 8.12 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 16 K 8.28 4.01 0.00 1.82 1.90 0.00 1.75 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.54 7.81 17 T 7.91 3.92 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 1.27 0.00 0.00 18 T 7.87 3.91 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 1.22 0.00 0.00 19 E 8.15 3.87 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 20 L 8.18 4.27 0.00 2.06 1.93 1.25 0.69 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 21 L 8.11 3.91 0.00 1.83 1.64 0.90 0.63 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 22 S 8.06 4.05 0.00 3.86 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 0.00 23 F 7.65 4.22 0.00 3.16 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 24 V 7.34 2.47 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 0.70 0.00 0.00 0.02 0.00 0.00 25 E 8.01 3.88 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.58 0.00 26 I 7.55 3.72 2.21 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 1.52 1.15 0.95 0.00 0.00 27 Y 8.24 3.92 0.00 3.19 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 28 K 8.36 3.92 0.00 1.74 1.85 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.38 7.81 29 L 8.01 4.35 0.00 1.75 1.75 0.90 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 30 G 7.74 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 0.00 0.00 0.00 31 K 7.58 3.90 0.00 1.87 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.54 7.81 32 K 7.82 4.62 0.00 1.94 1.90 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.43 7.81 33 K 8.61 4.40 0.00 1.84 1.80 0.00 1.56 0.00 0.00 2.09 0.00 0.00 2.94 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.77 1.58 7.81 34 V 8.75 5.80 2.41 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 0.91 0.00 0.00 0.89 0.00 0.00 35 A 8.63 4.82 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 36 V 8.36 4.97 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 1.06 0.00 0.00 0.81 0.00 0.00 37 F 9.27 5.73 0.00 3.03 3.03 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 38 K 8.68 5.08 0.00 1.88 1.66 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 39 P 0.00 4.97 0.00 1.92 1.08 0.00 3.42 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 *58 V 7.75 3.76 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 0.68 0.00 0.00 0.79 0.00 0.00 59 E 8.44 4.64 0.00 1.77 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 60 A 8.26 4.88 1.07 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 61 H 8.66 4.76 0.00 2.88 2.94 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.33 4.95 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 0.90 0.00 0.00 0.94 0.00 0.00 63 I 9.15 4.82 2.14 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.13 1.20 0.00 0.00 64 E 9.56 4.15 0.00 2.02 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 0.00 2.31 2.37 0.00 65 R 8.50 4.90 0.00 1.90 1.98 0.00 3.23 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 66 P 0.00 3.85 0.00 2.01 1.80 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 67 E 8.12 3.99 0.00 2.02 1.96 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 2.37 2.42 0.00 68 E 8.16 4.18 0.00 2.22 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 0.00 2.39 2.49 0.00 69 M 7.88 3.98 0.00 1.47 1.81 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.81 0.00 70 R 7.47 3.80 0.00 1.80 2.07 0.00 3.04 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 71 K 7.18 4.05 0.00 1.72 1.68 0.00 1.18 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 0.21 7.81 72 Y 7.90 4.70 0.00 3.34 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 73 I 7.55 4.40 1.91 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 1.41 0.75 0.94 0.00 0.00 74 E 8.55 4.55 0.00 2.15 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 2.32 2.31 0.00 75 E 8.64 4.10 0.00 1.93 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 2.31 2.32 0.00 76 D 7.98 4.49 0.00 2.69 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 77 T 8.12 4.32 4.36 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 1.32 0.00 0.00 78 R 9.15 4.67 0.00 1.91 2.10 0.00 3.11 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 79 G 8.19 4.33 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 0.00 80 V 8.64 5.19 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 1.13 0.00 0.00 1.03 0.00 0.00 81 F 9.61 5.40 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 9.02 5.22 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 1.08 0.00 0.00 83 D 9.02 5.32 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.52 3.77 0.00 2.13 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 2.32 2.29 0.00 85 V 7.66 4.10 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 1.00 0.00 0.00 0.95 0.00 0.00 86 Q 7.39 3.79 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 87 F 7.09 4.78 0.00 2.85 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 88 F 7.41 4.60 0.00 3.29 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 89 N 8.95 4.48 0.00 2.82 2.79 0.00 0.00 7.03 7.71 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 90 P 0.00 4.41 0.00 2.22 2.22 0.00 3.72 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 2.14 2.19 0.00 91 S 8.25 4.23 0.00 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 0.00 92 L 8.09 3.78 0.00 1.83 1.73 0.42 0.60 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 93 F 8.26 4.03 0.00 3.18 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 94 E 8.29 3.87 0.00 2.09 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 2.55 2.39 0.00 95 V 7.44 3.46 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 0.85 0.00 0.00 0.88 0.00 0.00 96 V 7.86 3.43 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 0.75 0.00 0.00 0.84 0.00 0.00 97 K 7.71 3.63 0.00 1.50 1.68 0.00 1.58 0.00 0.00 1.22 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.27 7.81 98 D 7.83 4.29 0.00 2.84 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 99 L 7.70 3.94 0.00 1.76 1.63 0.79 0.52 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 0.00 100 L 7.82 4.10 0.00 1.74 1.61 0.76 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 0.00 101 D 7.96 4.35 0.00 2.77 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 0.00 102 R 7.38 4.53 0.00 1.71 1.91 0.00 3.16 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 103 G 8.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.50 4.44 2.01 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 1.48 1.11 0.90 0.00 0.00 105 D 8.97 4.81 0.00 2.71 2.46 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 0.00 106 V 8.16 4.63 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 0.95 0.00 0.00 0.84 0.00 0.00 107 F 8.73 4.95 0.00 2.69 2.84 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 0.00 108 C 9.06 5.53 0.00 2.83 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 0.00 109 A 8.74 5.19 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 0.00 110 G 8.24 4.06 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 0.00 0.00 0.00 111 L 9.01 4.64 0.00 1.11 1.68 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.76 4.54 0.00 2.96 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 0.00 113 L 7.60 5.14 0.00 1.59 1.50 0.85 0.83 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 0.00 114 T 8.06 4.04 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 0.17 0.00 0.00 115 H 8.58 4.95 0.00 3.54 3.67 0.00 5.09 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 0.00 116 K 7.71 4.46 0.00 1.59 1.88 0.00 2.12 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.51 7.81 117 Q 7.70 3.48 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.50 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 118 N 7.56 4.82 0.00 2.59 2.60 0.00 0.00 7.01 8.03 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 0.00 119 P 0.00 4.63 0.00 2.01 1.96 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 120 F 8.73 4.48 0.00 3.33 2.82 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 0.00 0.00 0.00 121 E 9.14 3.97 0.00 2.06 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 2.38 2.40 0.00 122 T 7.94 3.90 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 1.35 0.00 0.00 123 T 7.95 3.86 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 1.20 0.00 0.00 124 A 8.07 4.02 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 0.00 125 L 7.92 3.94 0.00 1.89 1.51 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.01 4.20 0.00 1.89 1.72 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.20 4.02 0.00 1.81 1.74 0.93 0.80 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 0.00 128 S 7.75 4.28 0.00 4.12 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 0.00 129 L 7.74 4.14 0.00 1.80 1.84 0.79 0.91 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 0.00 130 A 7.32 4.00 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 0.00 131 D 8.66 4.61 0.00 2.56 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 0.00 132 T 7.67 4.69 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 1.22 0.00 0.00 133 V 8.46 4.77 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 0.83 0.00 0.00 0.92 0.00 0.00 134 I 8.94 4.50 1.98 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 1.34 0.69 1.02 0.00 0.00 135 K 8.72 4.89 0.00 1.64 1.74 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.40 7.81 136 K 9.37 4.69 0.00 1.70 1.95 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.61 7.81 137 K 8.58 4.77 0.00 0.79 1.08 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.15 1.21 7.81 138 A 8.45 4.95 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 0.00 139 V 8.39 4.29 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 0.87 0.00 0.00 1.08 0.00 0.00 140 C 9.54 4.42 0.00 3.19 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 0.00 141 H 9.42 4.06 0.00 3.25 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.19 4.26 0.00 1.86 1.97 0.00 3.28 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 143 C 8.07 4.49 0.00 3.15 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 0.00 144 G 8.08 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 0.00 145 E 7.55 4.38 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 146 Y 8.29 4.87 0.00 2.82 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 0.00 147 N 7.69 4.63 0.00 2.79 2.81 0.00 0.00 6.33 7.26 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 0.00 148 A 8.43 4.41 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 0.00 149 T 8.53 4.60 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 1.16 0.00 0.00 150 L 8.21 4.97 0.00 1.80 1.57 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.48 5.30 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 152 L 9.08 4.85 0.00 1.76 1.49 0.34 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 153 K 9.05 4.59 0.00 1.61 1.60 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.08 0.70 7.81 154 V 9.06 4.20 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 0.69 0.00 0.00 0.93 0.00 0.00 *167 E 8.06 4.51 0.00 1.77 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 2.13 1.90 0.00 *168 K 8.74 4.82 0.00 1.37 1.65 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.26 7.81 169 Y 8.60 5.42 0.00 2.97 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 0.00 170 I 9.22 5.05 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.82 0.00 0.00 171 A 8.71 5.32 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.59 4.92 2.20 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 0.76 0.00 0.00 1.15 0.00 0.00 173 C 8.67 4.63 0.00 3.12 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 0.00 174 R 8.60 3.86 0.00 1.86 1.97 0.00 3.14 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 175 D 8.04 4.42 0.00 2.76 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 0.00 176 C 8.07 4.21 0.00 3.03 3.02 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 0.00 177 Y 8.34 4.03 0.00 3.22 3.11 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 0.00 0.00 0.00 178 N 8.28 4.77 0.00 2.83 2.94 0.00 0.00 7.18 7.38 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 0.00 179 T 7.89 4.05 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 1.22 0.00 0.00 180 L 8.03 4.36 0.00 1.51 1.64 0.90 0.75 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 *181 K 8.32 4.23 0.00 1.77 2.03 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.23 1.18 7.81 * Residues marked with a * may have inaccurate shift predictions.