NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2321 8.3027 121.4692 56.0021 29.6893 173.8726 2 V 4.1608 7.8635 125.4901 60.5397 32.7292 173.6488 3 T 4.5312 8.9133 115.4964 61.0762 73.3353 171.6095 4 L 5.2632 8.3062 121.8848 53.1617 46.2196 175.1647 5 Q 4.7145 8.8633 123.7964 54.5081 31.9750 174.2757 6 E 5.2533 8.9569 125.9358 56.1033 31.5468 175.3002 7 S 4.5213 9.0163 114.5245 58.3994 66.5096 175.7225 8 G 4.0025 9.2299 108.5834 45.1952 0.0000 174.5616 9 G 3.9767 6.8466 107.4724 43.5742 0.0000 170.5024 10 G 3.6607 7.8882 104.6508 43.7439 0.0000 172.2216 11 L 4.8906 8.2520 122.3150 54.8177 43.0355 177.7476 12 V 4.5929 8.7327 124.5644 59.7896 35.4196 174.2204 13 Q 4.4696 8.6691 124.2927 55.3202 30.2241 173.6875 14 P 4.4585 0.0000 0.0000 64.2044 31.8431 176.9783 15 G 3.9306 9.3271 111.4170 45.3719 0.0000 173.9291 16 G 3.9902 8.0530 109.3451 44.6641 0.0000 172.5145 17 S 5.2027 8.0935 113.5552 57.2499 66.7524 173.5977 18 M 4.6174 8.7031 120.5231 54.3017 36.0521 173.1211 19 K 4.7674 8.4512 126.0677 54.6150 34.6304 174.9605 20 L 4.7510 8.7635 127.6509 53.5394 44.0254 175.8170 21 S 5.4316 8.9550 117.4676 57.1005 67.3110 172.5857 22 C 5.1807 8.8339 121.3494 55.2932 44.5639 172.3104 23 A 5.0963 8.9647 128.6184 50.2157 20.6978 175.3464 24 A 5.3331 8.0715 124.6978 50.5220 21.9625 175.7855 25 S 4.2687 8.7670 111.3669 58.7575 66.3165 176.7967 26 G 4.3591 10.9030 109.5120 46.5785 0.0000 172.6841 27 F 4.9748 7.0498 112.3246 55.7077 41.1366 175.5298 28 T 4.2178 8.4677 118.1205 62.5299 66.5625 175.0159 29 F 3.8348 8.1970 128.4202 60.8752 39.7646 177.5333 30 S 4.2437 8.2107 113.4041 60.8954 62.7779 174.7359 31 D 4.5778 7.8132 119.0179 55.5813 41.2680 176.7993 32 A 4.5879 7.5883 120.3736 51.6881 19.4219 176.9506 33 W 4.8765 8.8792 120.0663 55.2556 31.6053 175.6184 34 V 4.8188 8.5784 123.4002 61.2650 34.0156 174.0554 35 D 5.5542 9.0012 126.1314 52.3275 45.5948 174.3763 36 W 5.1074 8.8599 119.6167 54.9739 32.5268 175.0244 37 V 5.0684 9.2816 124.0160 61.0888 34.6679 174.3599 38 R 5.0217 9.2139 122.9874 54.3366 33.2218 173.9689 39 Q 5.6236 9.0617 120.5598 53.4823 32.4341 174.0781 40 S 5.0042 8.4278 118.7071 56.3108 66.8204 171.6353 41 P 4.5168 0.0000 0.0000 64.0260 31.8494 175.0554 42 G 4.3341 9.2773 112.1534 45.7235 0.0000 174.5458 43 K 4.3461 7.8517 116.6562 55.2586 34.7019 178.5838 44 G 3.8932 8.1612 107.8398 46.4674 0.0000 173.9136 45 L 4.7488 8.5226 124.6191 54.2574 42.5544 175.6454 46 E 4.7865 9.4191 124.0193 53.9703 32.7518 174.4070 47 W 4.6341 9.3294 135.0000 58.0741 31.4009 174.6925 48 V 4.0019 8.0151 125.3811 63.8022 33.3081 174.9151 49 A 4.3257 6.7297 118.8588 51.2214 22.6837 174.1185 50 E 5.3218 8.8245 119.0604 54.9994 33.9772 173.6917 51 I 4.8589 8.7289 125.5894 59.3550 41.3878 175.4750 52 R 3.6374 8.4545 128.9333 54.8127 32.3690 175.2692 52A N 4.6951 7.7748 117.7677 52.0197 39.2278 176.2341 52B K 3.3629 8.7562 118.7516 59.6341 31.8513 178.2052 52C A 4.0689 8.0473 119.2354 54.3983 18.0163 177.9384 53 N 4.8302 8.1662 114.3383 52.9059 39.5865 175.2618 54 N 4.0566 8.1194 115.7913 54.3278 37.9438 173.2655 55 H 4.4322 8.4265 109.2576 54.6831 27.2413 174.9495 56 A 4.2881 7.3301 119.4053 52.3857 19.3391 177.5943 57 T 5.0032 8.3699 109.9790 59.8319 71.7364 173.6112 58 K 4.8445 8.6724 121.8549 55.0956 36.4418 174.9244 59 Y 5.0793 8.6562 119.5734 56.3083 42.2191 175.0415 60 T 4.4088 8.2913 116.3864 61.8166 68.5875 174.9554 61 E 3.9320 9.3342 128.3543 59.5727 29.5218 179.3071 62 S 4.2793 8.0787 110.0157 60.0289 63.2693 174.6498 63 V 3.7959 7.4783 113.3777 60.4087 32.7936 175.7102 64 K 3.8302 7.4001 120.2539 57.8735 32.2287 177.0342 65 G 4.0039 8.6488 111.6482 45.1157 0.0000 174.0838 66 R 4.4784 7.8380 117.5723 56.6762 32.3969 176.4355 67 F 5.6044 7.9573 115.4868 56.1325 41.8284 175.7172 68 T 4.7719 8.8922 117.6567 62.0726 72.2914 172.7327 69 I 5.1834 9.2930 127.5981 59.6838 40.2085 174.4953 70 S 4.9882 8.9590 121.8445 57.4342 66.8910 172.6675 71 R 5.1405 8.4575 115.4722 54.8325 33.0145 174.3979 72 D 4.7824 9.3088 119.9998 52.5837 42.9799 175.9172 73 D 4.7051 8.9376 127.4317 57.0281 41.2467 179.2396 74 S 4.2244 8.1077 112.7433 60.1261 63.2106 175.0290 75 K 4.2922 8.1335 117.9034 55.1873 32.9440 175.8136 76 S 2.7900 7.4229 114.9689 59.2958 60.9288 171.4996 77 S 4.8252 7.3742 113.4380 56.7330 67.9671 174.7762 78 V 4.8448 8.2000 120.5247 61.4649 35.1211 173.9120 79 Y 5.4153 9.4399 123.1826 56.1812 42.4613 174.5959 80 L 4.5445 8.8802 123.6014 53.3374 44.9704 175.0290 81 Q 4.4432 9.0321 129.8078 55.3308 30.3674 174.0768 82 M 4.3315 8.8702 127.0260 53.4227 34.2737 175.0431 82A N 5.1928 8.7801 120.2710 50.7671 42.4817 174.1555 82B S 3.6892 8.5255 113.5144 59.4303 60.8083 173.3328 82C L 4.3428 7.7358 119.1693 55.1716 42.4920 177.4478 83 R 4.9130 9.2158 120.6746 53.7622 33.7733 176.7723 84 A 4.0573 8.5371 121.7845 55.3237 18.4117 179.5551 85 E 4.2038 8.1365 112.0339 58.4756 29.8026 177.1916 86 D 4.8138 8.0352 118.6227 54.9787 41.3984 176.8921 87 T 4.2370 7.8998 117.3975 62.4400 69.0436 174.5414 88 G 4.0203 7.9065 112.9710 45.5778 0.0000 170.4134 89 I 4.6906 7.5733 120.2871 60.3119 38.9425 174.9216 90 Y 4.8762 9.0581 124.9048 56.4516 40.3262 174.3018 91 Y 5.4960 9.5250 121.8885 56.4212 41.6365 173.7084 92 C 4.2309 9.3788 123.9100 55.1974 43.1696 172.3540 93 T 4.8461 8.2588 120.0330 60.4182 70.9619 172.2256 94 S 4.8966 8.2614 117.8927 56.7364 67.3252 173.3945 95 V 4.7411 8.7985 122.1327 59.8994 31.5337 174.5055 96 P 4.4189 0.0000 0.0000 65.3687 31.8494 176.4198 97 Q 4.4130 7.5983 117.3515 53.8570 31.8895 172.6064 98 L 3.6409 8.2856 122.9418 56.8496 42.1117 177.5463 99 G 3.8090 8.5355 112.3618 46.1007 0.0000 174.3337 100 R 3.8423 7.7369 118.3770 56.2313 30.5564 177.8488 100A G 3.6772 7.6608 107.3026 44.4188 0.0000 173.0773 100B F 5.0509 8.1653 116.1331 56.7866 37.0991 175.2740 101 A 4.0008 8.2441 128.1559 53.8240 19.0258 178.1339 102 Y 5.1043 7.3244 112.5205 55.9998 40.9453 174.6497 103 W 5.1254 8.8187 122.8276 54.7040 32.7501 176.1163 104 G 4.2690 8.6494 110.6680 45.0445 0.0000 173.2078 105 Q 4.3005 8.8643 116.5990 56.3123 29.3600 177.3545 106 G 3.9807 9.5569 104.2651 45.8310 0.0000 172.7310 107 T 4.6420 8.4235 114.9420 59.8948 71.1329 172.3647 108 L 4.5629 8.5716 130.6740 54.5541 43.8533 175.0340 109 V 4.6908 9.0255 126.8026 61.4312 34.0648 174.1526 110 T 4.8081 8.7615 124.8185 61.8655 71.0862 173.4483 111 V 4.6228 8.5176 128.2878 62.0697 32.0480 174.9543 112 S 4.7644 8.6879 120.7583 57.6459 65.4370 174.7826 113 A 4.3893 8.8416 126.7232 52.7610 18.9517 177.6978 114 A 4.0805 7.6028 118.8754 51.8690 18.9547 176.9248 115 S 4.9175 7.8773 113.5307 56.3513 65.4674 174.2228 116 T 4.5049 8.4259 118.4534 64.5085 68.9632 174.0394 117 T 4.8938 9.5379 122.7132 61.1614 72.8228 172.0603 118 P 4.9139 0.0000 0.0000 62.0713 32.5247 174.0509 119 P 4.9573 0.0000 0.0000 62.5081 33.1418 175.0205 120 S 4.6984 8.9346 116.6118 56.6323 65.7365 173.3946 121 V 4.5263 7.8605 123.1513 61.1651 33.6525 174.0396 122 Y 5.0366 8.8272 125.8779 55.3558 40.8477 173.4646 123 P 4.7577 0.0000 0.0000 62.7434 32.8490 175.8672 124 L 4.7702 9.3212 122.5079 53.2977 43.8196 175.2293 125 A 4.8793 8.4728 125.3341 48.9547 21.6936 174.1882 126 P 4.2830 0.0000 0.0000 62.9777 31.6250 176.3526 127 G 3.8393 8.1031 108.1254 47.9231 0.0000 177.1831 128 S 4.4698 7.6558 117.9607 56.9458 65.0331 173.1628 129 G 4.1098 8.4429 108.6876 44.1237 0.0000 173.9315 130 G 3.5793 8.7095 111.2976 45.9616 0.0000 170.8562 131 A 3.3544 8.5617 128.4505 51.9782 15.1140 178.4523 128 G 3.9598 7.6758 111.0607 43.7458 0.0000 173.4628 129 S 4.6198 8.4229 115.5876 57.3237 64.7019 173.6316 130 M 4.0993 8.6595 122.0976 56.2616 33.2594 172.2562 131 V 3.1544 8.3517 123.8505 61.6782 28.9140 176.9523 139 T 4.7823 8.4581 123.2018 61.8662 70.3207 173.7264 140 L 4.5904 8.6335 126.0617 53.0009 45.7431 175.3085 141 G 4.7757 8.8855 106.7950 45.4094 0.0000 170.7911 142 C 5.4837 9.5992 119.3795 54.7900 44.9537 172.1460 143 L 5.0377 9.1802 129.1642 53.5506 43.8550 175.0176 144 V 4.9141 9.3211 127.6692 61.1396 33.3315 174.3394 145 K 5.1023 8.9956 127.0774 55.9148 36.5588 177.0148 146 G 4.4708 9.0021 108.3877 45.8939 0.0000 172.8918 147 Y 5.0673 7.3398 117.3399 55.4964 41.3700 174.0436 148 F 5.0561 8.8419 118.7156 57.2141 43.5982 171.9378 149 P 3.7604 0.0000 0.0000 61.1700 33.7779 175.0097 150 E 4.1907 8.2290 118.7589 55.7931 30.0180 174.0388 151 P 4.8500 0.0000 0.0000 61.1784 33.8956 174.1650 152 V 4.6482 7.8215 110.4669 59.5672 35.3723 175.3824 153 T 4.6088 8.5619 112.6808 59.8666 71.6242 172.9954 154 V 5.1872 8.3467 124.1482 60.2766 34.6982 174.4591 *156 T 5.0615 8.2700 116.5839 61.6910 70.9909 172.2720 157 W 4.8545 8.3635 120.6851 54.3146 32.3667 176.3982 *162 N 4.4660 8.3068 123.1518 54.3444 39.2515 174.7761 163 S 3.8622 10.2655 107.8465 59.6026 60.3128 174.4484 164 G 4.0339 8.1197 109.2150 45.3148 0.0000 176.4280 165 A 4.1217 7.9872 122.1516 53.9766 18.5580 177.3681 166 L 4.7404 7.3455 114.4059 53.2023 42.8716 176.3272 167 S 4.6123 8.4888 115.9871 58.5873 65.5954 175.6221 168 S 4.1865 8.4308 115.0822 61.1212 62.9032 175.3217 169 G 3.8655 7.6882 107.5542 45.8679 0.0000 173.0705 *171 V 4.2608 7.7964 119.0407 62.6540 32.8436 174.1677 172 H 4.6890 8.9860 123.8980 54.3710 31.9964 172.4550 173 T 4.8658 8.3384 120.5554 61.8145 69.8988 174.5412 174 F 4.6028 8.9071 125.8489 55.7933 40.2333 174.4338 175 P 4.3780 0.0000 0.0000 62.6816 31.8313 176.3940 176 A 4.6123 8.4632 123.0591 52.1006 19.4801 176.8460 177 V 4.5100 9.0361 120.0057 60.9611 34.6176 174.0283 178 L 4.9283 8.4942 129.2619 53.5722 43.5117 175.4462 179 Q 4.3940 8.2507 122.9872 55.5084 30.8159 174.6908 180 S 3.7680 8.7075 111.2035 61.7054 63.1111 174.4155 181 D 4.6077 7.6963 120.1804 54.6176 41.5194 175.6952 *184 L 4.3808 7.4556 118.4529 55.0624 44.8931 175.2972 185 Y 4.6918 8.1597 120.8227 59.0816 39.4556 175.1130 186 T 5.2516 9.1703 119.7076 61.8298 72.3411 172.7739 187 L 5.3935 9.6452 128.3955 53.2610 46.0853 175.1731 188 S 5.4459 8.7942 117.7766 56.8203 67.0145 172.5031 189 S 5.5473 9.2789 115.2500 56.9500 65.9974 172.8220 190 S 5.4729 9.6356 121.1476 56.5991 66.6027 173.1477 191 V 4.4706 8.1093 119.5814 60.2197 34.6639 174.0148 192 T 5.3381 8.4077 120.3163 62.0172 70.4772 173.8728 193 V 4.5801 8.0736 118.1317 58.4665 36.1455 173.7426 194 P 4.4212 0.0000 0.0000 62.6126 31.6597 178.1060 195 S 4.4571 8.6075 115.7259 60.4594 63.3706 174.9965 196 S 4.3805 7.8854 115.0867 59.5914 63.8408 175.6551 *198 T 4.6469 7.7364 117.6379 62.8725 70.1456 173.4499 199 W 4.9716 7.6916 127.7483 54.9310 33.1187 172.9999 200 P 3.2151 0.0000 0.0000 63.0205 31.0962 177.5514 *202 S 4.3863 7.9262 114.6987 58.6663 64.5162 173.9349 203 Q 4.7041 8.1213 117.1578 54.3818 30.6488 175.8371 204 T 4.2494 8.4611 118.5500 63.6568 69.4688 174.1324 205 V 4.7736 8.8055 125.6743 61.5110 34.5103 174.0759 206 T 5.2349 9.4700 124.3882 60.7694 72.4483 172.2608 *208 C 3.8591 8.5509 124.4843 56.3505 39.5581 171.6600 209 N 5.4780 8.6286 123.9699 50.6736 40.6610 173.8668 210 V 4.7810 8.9481 123.8182 60.8640 34.7114 174.0469 211 A 5.0329 8.8028 128.4498 50.4298 22.4946 174.3853 212 H 4.8228 9.0878 121.9638 53.5015 31.3961 172.1557 213 P 4.1238 0.0000 0.0000 65.3397 31.5575 178.7940 214 A 3.9231 7.8678 119.3970 54.5953 18.1701 178.0511 215 S 4.5714 7.6605 106.5281 57.4445 63.8188 174.0549 216 S 3.7548 7.5995 115.4401 60.1246 60.7423 171.5465 217 T 4.5578 7.4714 116.1045 62.7909 70.2043 174.3217 218 Q 4.8893 8.3896 123.0703 54.3939 32.8751 174.5357 219 V 4.4367 9.0415 123.4494 61.1449 35.6921 173.6212 220 D 5.3090 8.6765 126.2502 52.4777 43.6666 174.6842 221 K 4.5782 8.6175 123.0818 54.2926 35.3022 175.5465 222 K 4.4847 8.7186 125.9650 55.8896 33.9350 176.0288 223 I 4.2360 8.8852 128.1246 60.3974 38.1091 175.6003 *226 V 4.7720 8.1178 119.4707 60.3982 32.7018 174.0502 227 P 4.7212 0.0000 0.0000 62.8277 31.8075 176.6727 228 K 4.2484 8.7768 120.6218 57.0215 32.8096 176.2060 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 1 E 8.30 4.23 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 2 V 7.86 4.16 1.66 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 -0.47 0.00 0.00 0.68 0.00 0.00 3 T 8.91 4.53 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 1.21 0.00 0.00 4 L 8.31 5.26 0.00 1.61 1.54 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.86 4.71 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 6 E 8.96 5.25 0.00 2.01 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 0.00 2.60 2.43 0.00 7 S 9.02 4.52 0.00 3.90 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 8 G 9.23 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 6.85 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 0.00 0.00 0.00 10 G 7.89 3.66 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 0.00 0.00 0.00 11 L 8.25 4.89 0.00 1.65 1.60 1.23 1.05 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 V 8.73 4.59 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 0.69 0.00 0.00 0.89 0.00 0.00 13 Q 8.67 4.47 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.11 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 14 P 0.00 4.46 0.00 2.09 2.00 0.00 3.77 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 2.12 0.00 15 G 9.33 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 0.00 0.00 0.00 16 G 8.05 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 0.00 0.00 0.00 17 S 8.09 5.20 0.00 3.66 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 18 M 8.70 4.62 0.00 1.82 1.70 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 19 K 8.45 4.77 0.00 1.77 1.56 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.34 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.34 7.81 20 L 8.76 4.75 0.00 0.83 1.26 0.16 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.95 5.43 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.83 5.18 0.00 2.79 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 23 A 8.96 5.10 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 24 A 8.07 5.33 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 25 S 8.77 4.27 0.00 3.80 3.82 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 26 G 10.90 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 0.00 0.00 0.00 0.00 27 F 7.05 4.97 0.00 3.20 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 28 T 8.47 4.22 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 1.31 0.00 0.00 29 F 8.20 3.83 0.00 2.59 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 30 S 8.21 4.24 0.00 4.07 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 31 D 7.81 4.58 0.00 2.93 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 32 A 7.59 4.59 1.45 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 0.00 0.00 33 W 8.88 4.88 0.00 3.28 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 34 V 8.58 4.82 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 0.92 0.00 0.00 0.76 0.00 0.00 35 D 9.00 5.55 0.00 2.01 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.86 5.11 0.00 3.27 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 37 V 9.28 5.07 2.36 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 1.44 0.00 0.00 0.93 0.00 0.00 38 R 9.21 5.02 0.00 1.12 0.97 0.00 2.53 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 39 Q 9.06 5.62 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 40 S 8.43 5.00 0.00 3.92 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 41 P 0.00 4.52 0.00 2.10 2.06 0.00 3.68 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 2.07 2.12 0.00 42 G 9.28 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 43 K 7.85 4.35 0.00 1.79 1.91 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.44 7.81 44 G 8.16 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 45 L 8.52 4.75 0.00 1.77 1.80 0.92 0.87 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 46 E 9.42 4.79 0.00 2.03 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 2.26 2.34 0.00 47 W 9.33 4.63 0.00 3.52 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.02 4.00 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 1.08 0.00 0.00 0.99 0.00 0.00 49 A 6.73 4.33 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 50 E 8.82 5.32 0.00 2.82 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 2.27 2.73 0.00 51 I 8.73 4.86 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.52 0.93 0.00 0.00 52 R 8.45 3.64 0.00 1.16 0.66 0.00 2.65 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 52A N 7.77 4.70 0.00 3.01 3.22 0.00 0.00 5.57 7.27 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 52B K 8.76 3.36 0.00 1.80 1.82 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.40 7.81 52C A 8.05 4.07 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 53 N 8.17 4.83 0.00 2.71 2.66 0.00 0.00 6.54 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.12 4.06 0.00 2.82 2.83 0.00 0.00 7.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.43 4.43 0.00 3.28 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.33 4.29 1.13 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 57 T 8.37 5.00 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 1.25 0.00 0.00 58 K 8.67 4.84 0.00 1.97 1.94 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.60 7.81 59 Y 8.66 5.08 0.00 2.82 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 60 T 8.29 4.41 4.32 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 1.15 0.00 0.00 61 E 9.33 3.93 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 62 S 8.08 4.28 0.00 3.95 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 63 V 7.48 3.80 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 0.20 0.00 0.00 0.85 0.00 0.00 64 K 7.40 3.83 0.00 1.66 1.69 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.30 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.54 1.59 7.81 65 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.84 4.48 0.00 1.76 2.25 0.00 3.23 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 67 F 7.96 5.60 0.00 2.62 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 68 T 8.89 4.77 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 1.30 0.00 0.00 69 I 9.29 5.18 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.32 0.83 0.00 0.00 70 S 8.96 4.99 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.46 5.14 0.00 2.12 1.98 0.00 2.96 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 72 D 9.31 4.78 0.00 2.92 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 73 D 8.94 4.71 0.00 2.85 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.11 4.22 0.00 4.03 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 75 K 8.13 4.29 0.00 1.73 1.81 0.00 2.01 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.58 7.81 76 S 7.42 2.79 0.00 3.58 3.30 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 77 S 7.37 4.83 0.00 3.41 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.20 4.84 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 1.29 0.00 0.00 1.19 0.00 0.00 79 Y 9.44 5.42 0.00 2.91 2.80 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 80 L 8.88 4.54 0.00 0.35 0.36 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.03 4.44 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 82 M 8.87 4.33 0.00 1.05 1.41 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.81 0.00 82A N 8.78 5.19 0.00 2.76 2.69 0.00 0.00 7.28 7.18 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 82B S 8.53 3.69 0.00 3.97 3.88 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 82C L 7.74 4.34 0.00 1.75 1.62 0.86 0.72 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 83 R 9.22 4.91 0.00 1.82 1.82 0.00 3.12 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 84 A 8.54 4.06 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 85 E 8.14 4.20 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 86 D 8.04 4.81 0.00 2.94 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 87 T 7.90 4.24 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 88 G 7.91 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 89 I 7.57 4.69 1.59 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.36 0.00 0.00 90 Y 9.06 4.88 0.00 2.92 3.10 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 91 Y 9.52 5.50 0.00 3.08 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 92 C 9.38 4.23 0.00 2.05 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.26 4.85 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 -0.45 0.00 0.00 94 S 8.26 4.90 0.00 4.05 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 95 V 8.80 4.74 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 0.99 0.00 0.00 1.13 0.00 0.00 96 P 0.00 4.42 0.00 2.28 2.14 0.00 3.61 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.48 0.00 97 Q 7.60 4.41 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 98 L 8.29 3.64 0.00 1.45 1.48 0.70 0.95 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 99 G 8.54 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.74 3.84 0.00 1.79 1.82 0.00 3.32 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 100A G 7.66 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100B F 8.17 5.05 0.00 3.20 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 0.00 101 A 8.24 4.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.32 5.10 0.00 2.74 2.61 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 0.00 0.00 0.00 0.00 103 W 8.82 5.13 0.00 3.12 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 0.00 104 G 8.65 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 0.00 105 Q 8.86 4.30 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 106 G 9.56 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 0.00 0.00 0.00 107 T 8.42 4.64 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 1.30 0.00 0.00 108 L 8.57 4.56 0.00 1.80 1.50 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 109 V 9.03 4.69 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 0.80 0.00 0.00 0.56 0.00 0.00 110 T 8.76 4.81 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 1.25 0.00 0.00 111 V 8.52 4.62 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 0.76 0.00 0.00 1.00 0.00 0.00 112 S 8.69 4.76 0.00 4.07 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 0.00 113 A 8.84 4.39 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.60 4.08 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.88 4.92 0.00 4.00 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 0.00 116 T 8.43 4.50 4.32 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 1.30 0.00 0.00 117 T 9.54 4.89 4.39 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 1.28 0.00 0.00 118 P 0.00 4.91 0.00 2.10 2.10 0.00 3.82 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 2.02 2.00 0.00 119 P 0.00 4.96 0.00 2.02 1.97 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 120 S 8.93 4.70 0.00 3.66 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 0.00 121 V 7.86 4.53 1.90 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 0.68 0.00 0.00 0.78 0.00 0.00 122 Y 8.83 5.04 0.00 2.92 2.79 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 0.00 123 P 0.00 4.76 0.00 2.17 2.12 0.00 3.89 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 2.09 2.09 0.00 124 L 9.32 4.77 0.00 1.70 1.65 0.99 0.71 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 0.00 125 A 8.47 4.88 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 0.00 126 P 0.00 4.28 0.00 2.20 2.06 0.00 3.59 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 127 G 8.10 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 0.00 128 S 7.66 4.47 0.00 4.02 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 G 8.44 4.11 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 0.00 0.00 0.00 130 G 8.71 3.58 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 0.00 0.00 0.00 131 A 8.56 3.35 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.68 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 0.00 129 S 8.42 4.62 0.00 3.65 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.66 4.10 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.41 0.00 131 V 8.35 3.15 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 0.71 0.00 0.00 0.93 0.00 0.00 139 T 8.46 4.78 4.18 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 1.14 0.00 0.00 140 L 8.63 4.59 0.00 1.09 1.24 0.10 -0.80 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 0.00 141 G 8.89 4.78 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 0.00 142 C 9.60 5.48 0.00 2.96 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 0.00 143 L 9.18 5.04 0.00 1.91 1.84 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.32 4.91 2.24 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 0.75 0.00 0.00 0.88 0.00 0.00 145 K 9.00 5.10 0.00 1.92 1.98 0.00 1.60 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.54 7.81 146 G 9.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 7.34 5.07 0.00 2.92 3.08 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 0.00 148 F 8.84 5.06 0.00 3.20 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 0.00 149 P 0.00 3.76 0.00 1.77 1.52 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 150 E 8.23 4.19 0.00 1.73 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 1.47 1.57 0.00 151 P 0.00 4.85 0.00 2.10 1.99 0.00 3.64 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 1.83 1.91 0.00 152 V 7.82 4.65 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 -0.25 0.00 0.00 0.62 0.00 0.00 153 T 8.56 4.61 4.20 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 1.16 0.00 0.00 154 V 8.35 5.19 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 1.04 0.00 0.00 0.84 0.00 0.00 *156 T 8.27 5.06 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 0.00 157 W 8.36 4.85 0.00 3.47 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 *162 N 8.31 4.47 0.00 3.07 2.92 0.00 0.00 7.24 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 0.00 163 S 10.27 3.86 0.00 3.94 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 0.00 164 G 8.12 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 0.00 0.00 0.00 165 A 7.99 4.12 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 0.00 166 L 7.35 4.74 0.00 1.87 1.61 0.97 0.77 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 0.00 167 S 8.49 4.61 0.00 3.91 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 0.00 168 S 8.43 4.19 0.00 3.96 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 0.00 169 G 7.69 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 *171 V 7.80 4.26 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 0.93 0.00 0.00 0.76 0.00 0.00 172 H 8.99 4.69 0.00 2.92 2.38 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 8.34 4.87 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 1.27 0.00 0.00 174 F 8.91 4.60 0.00 3.00 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 0.00 175 P 0.00 4.38 0.00 2.14 2.07 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 176 A 8.46 4.61 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 V 9.04 4.51 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 1.05 0.00 0.00 0.99 0.00 0.00 178 L 8.49 4.93 0.00 1.04 1.36 0.30 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.25 4.39 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 180 S 8.71 3.77 0.00 3.95 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 0.00 181 D 7.70 4.61 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *184 L 7.46 4.38 0.00 1.75 1.73 0.92 0.63 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 0.00 185 Y 8.16 4.69 0.00 1.75 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 0.00 0.00 0.00 186 T 9.17 5.25 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 1.30 0.00 0.00 187 L 9.65 5.39 0.00 1.88 1.69 1.03 0.75 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 0.00 188 S 8.79 5.45 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 0.00 189 S 9.28 5.55 0.00 4.08 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 0.00 190 S 9.64 5.47 0.00 3.96 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 0.00 191 V 8.11 4.47 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 -0.70 0.00 0.00 0.45 0.00 0.00 192 T 8.41 5.34 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 1.20 0.00 0.00 193 V 8.07 4.58 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 0.62 0.00 0.00 0.91 0.00 0.00 194 P 0.00 4.42 0.00 2.20 1.98 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 195 S 8.61 4.46 0.00 4.04 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 0.00 196 S 7.89 4.38 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *198 T 7.74 4.65 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 199 W 7.69 4.97 0.00 3.23 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 0.00 200 P 0.00 3.22 0.00 1.49 0.49 0.00 3.50 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.31 0.00 *202 S 7.93 4.39 0.00 3.88 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 0.00 203 Q 8.12 4.70 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 204 T 8.46 4.25 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 1.29 0.00 0.00 205 V 8.81 4.77 2.33 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 1.31 0.00 0.00 1.18 0.00 0.00 206 T 9.47 5.23 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 *208 C 8.55 3.86 0.00 2.05 2.61 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 0.00 0.00 0.00 0.00 209 N 8.63 5.48 0.00 2.56 2.71 0.00 0.00 6.27 7.64 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 0.00 210 V 8.95 4.78 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 0.84 0.00 0.00 0.73 0.00 0.00 211 A 8.80 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 H 9.09 4.82 0.00 2.99 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 P 0.00 4.12 0.00 2.13 2.04 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 214 A 7.87 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 S 7.66 4.57 0.00 4.03 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 0.00 216 S 7.60 3.75 0.00 4.07 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 0.00 217 T 7.47 4.56 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 218 Q 8.39 4.89 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 219 V 9.04 4.44 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 0.69 0.00 0.00 0.85 0.00 0.00 220 D 8.68 5.31 0.00 2.55 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 0.00 221 K 8.62 4.58 0.00 1.57 1.65 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.55 7.81 222 K 8.72 4.48 0.00 1.82 1.75 0.00 1.82 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.59 7.81 223 I 8.89 4.24 2.03 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.86 0.00 0.00 *226 V 8.12 4.77 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 1.16 0.00 0.00 1.04 0.00 0.00 227 P 0.00 4.72 0.00 1.98 1.88 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.21 0.00 228 K 8.78 4.25 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.