NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3584 8.2493 123.5846 52.1770 19.3160 174.9917 2 T 4.4140 7.4333 110.4493 58.6984 72.1548 173.4252 3 L 4.0028 8.4898 126.9498 57.5148 42.3827 180.3217 4 K 3.9455 8.1918 119.1457 59.6114 32.1504 177.8954 5 D 4.4092 7.8334 118.3163 57.7851 40.8892 179.3163 6 I 3.7383 7.9466 119.7490 64.7521 37.2659 178.5907 7 T 3.6440 8.3233 116.8149 66.5962 68.2957 176.8590 8 R 3.8720 8.4280 120.1837 59.4075 30.1657 179.1467 9 R 3.9137 8.2021 118.5317 59.2001 29.7206 178.3702 10 L 3.9217 7.7031 119.6466 57.9568 42.4242 178.8073 11 K 4.1094 7.8706 118.2996 59.2866 31.9369 179.5609 12 S 4.0881 8.0925 114.5128 61.7309 63.0090 176.6572 13 I 3.6799 7.8947 123.7075 63.6614 36.6194 178.5333 14 K 4.0761 8.0596 119.7760 58.8654 31.6944 179.0666 15 N 4.2723 8.3064 117.8996 56.0394 37.4047 177.0721 16 I 3.6366 7.8135 122.8030 63.8548 37.1618 177.7882 17 Q 3.9060 8.1512 119.8292 59.0914 28.7893 178.0482 18 K 3.8592 7.7910 120.3721 59.6389 32.1784 178.7045 19 I 3.6970 8.0195 120.2771 64.7212 37.1516 178.5634 20 T 3.9104 8.5502 110.8762 64.7446 68.4108 176.5421 21 K 3.9795 8.3064 121.6696 59.1392 32.0549 179.4470 22 S 4.0867 7.8559 114.4635 61.9430 63.0742 176.2770 23 M 4.0923 8.1269 122.7423 57.8036 31.5171 178.8259 24 K 3.9338 7.9416 119.6239 59.7728 32.2189 178.7137 25 M 4.0468 7.6762 117.6201 58.9220 32.1940 178.3001 26 V 3.5848 8.5509 118.4029 65.6077 31.4774 177.9846 27 A 4.2261 8.4751 120.7952 55.4729 18.4914 179.1010 28 A 4.1628 8.3897 119.1892 55.8024 18.4340 179.3401 29 A 4.0199 8.5364 119.1503 55.4141 18.3834 179.7497 30 K 3.8166 8.0794 115.5313 59.8281 32.1452 178.8535 31 Y 4.0193 8.8645 120.4383 60.3384 38.4700 177.4888 32 A 3.3995 8.0920 121.3777 55.7677 18.6722 179.2890 33 R 3.7471 8.1558 116.0469 58.8404 29.6040 179.1924 34 A 3.7330 8.3960 120.2918 55.3984 18.4317 179.1938 35 E 3.5174 7.6044 116.7157 59.5599 29.8003 179.0715 36 R 3.9866 8.6262 119.1648 58.9887 29.8524 178.5311 37 E 4.0300 8.0557 117.4883 58.5526 29.6187 178.3452 38 L 3.9734 7.4957 119.4557 56.2215 42.2230 178.3681 39 K 3.9739 8.2799 119.5902 59.0553 31.9861 177.3743 40 P 4.3575 0.0000 0.0000 65.9569 31.3690 178.2720 41 A 4.1785 7.6793 120.3258 54.6221 18.2294 179.6006 42 R 3.6464 7.9339 117.3338 59.1662 30.0904 178.8018 43 V 3.5119 7.4596 116.7848 66.2687 31.5066 177.2287 44 Y 4.1171 8.4573 119.7398 60.7577 38.3233 178.5744 45 G 3.1571 7.9794 105.9521 47.3585 0.0000 175.6753 46 V 3.7802 7.9248 121.2855 65.7687 31.4719 178.0144 47 G 3.6809 8.0922 105.5188 48.2821 0.0000 175.1542 48 S 4.2118 7.4628 113.4860 59.9252 62.9075 175.1306 49 L 4.6795 8.6370 120.9439 55.3604 41.7443 178.1384 50 A 4.0718 7.7748 122.3849 55.2771 18.3533 179.2619 51 L 3.8699 8.0161 118.0790 58.3417 41.6605 178.3714 52 Y 5.0557 7.4415 116.2546 59.3087 38.1985 177.5299 53 E 4.2228 8.1526 118.6504 59.5843 29.8816 179.1093 54 K 4.3703 8.4605 116.8316 57.0520 32.4058 176.9590 55 A 4.4648 7.6539 122.0899 49.7987 20.6419 174.7337 56 D 4.7195 8.7845 122.9314 55.2018 41.6372 176.1369 57 I 4.0417 7.3543 128.4269 60.9192 36.7001 178.3637 *67 L 4.9497 8.2894 131.6058 56.1314 43.2709 173.8042 68 I 4.8739 8.2626 125.8396 59.5597 40.2370 174.3909 69 I 4.6052 8.7041 127.4565 59.5720 40.0289 174.7480 70 G 4.1897 8.7471 115.3987 45.0308 0.0000 172.0143 71 V 4.8495 8.7071 123.3187 61.6071 34.0643 173.5048 72 S 4.8625 8.7465 121.3189 58.4867 64.6400 176.7054 73 S 4.5582 8.9685 116.7899 58.3645 65.3040 174.6698 74 D 4.5743 8.2091 118.4239 55.3880 41.7790 176.0165 75 R 4.5831 7.3625 118.5980 55.4141 32.3895 175.4667 76 G 3.8869 8.4754 108.3446 45.2758 0.0000 173.7445 77 L 4.5426 7.9578 118.5805 53.3953 40.8601 176.9534 78 C 4.5269 8.5138 113.9621 58.9396 30.5251 180.6806 79 G 3.1898 6.9968 105.6619 47.0278 0.0000 176.9211 80 A 4.8005 7.5159 124.8273 53.0605 18.8273 179.1404 81 I 3.5001 8.4207 119.8205 64.6154 37.2033 177.9976 82 H 4.4367 7.8936 116.8401 58.1772 28.7110 178.2126 83 S 4.1091 7.7825 115.7710 61.5656 63.0707 176.3324 84 S 4.1090 7.8965 119.2082 61.2958 62.6661 177.0908 85 V 3.6036 7.4731 118.9157 65.8728 31.1499 177.9184 86 A 3.9795 7.8973 120.0927 55.3513 18.2483 178.8250 87 K 3.7375 9.0504 119.0904 60.2838 32.0252 178.5456 88 Q 4.0212 8.8719 120.0790 59.1520 29.1063 178.8673 89 M 4.0841 8.1169 120.3099 58.0534 32.0945 178.5633 90 K 3.8981 8.2061 119.1992 60.0553 32.6334 178.6014 91 S 4.0390 7.9942 114.6385 61.6445 61.9707 175.8016 92 E 3.9157 7.8151 119.2858 59.0874 29.2865 178.6929 93 A 4.0513 7.9523 120.6986 55.4914 18.7633 179.4857 94 A 4.0735 8.0160 118.8899 55.4179 18.4694 179.3516 95 N 4.5051 8.0076 111.5390 54.9729 38.8339 174.2546 96 L 4.8113 7.5531 119.9345 52.8358 45.5083 175.8109 *101 K 4.3081 8.5282 116.7120 54.6326 33.7237 176.0549 102 E 5.7624 7.0780 128.6473 55.9293 31.7298 175.9692 103 V 4.4979 7.8990 125.4542 61.0123 34.8866 174.6980 104 K 4.5809 8.3825 124.2668 55.3227 36.0342 175.3100 105 I 5.0574 8.4457 124.7985 59.6534 40.9579 174.7106 106 I 4.7626 8.5406 122.4136 59.9705 42.1384 174.8252 107 G 4.4083 8.7019 111.0000 44.5997 0.0000 172.0003 108 V 4.5036 8.7127 117.4930 63.3151 33.3464 174.3953 109 G 4.2125 9.1681 114.9791 44.9299 0.0000 173.0228 110 D 4.3853 10.6100 125.5394 57.5596 40.9295 178.4439 111 K 3.8589 8.0436 120.7792 58.9128 31.7677 178.4457 112 I 3.6965 7.8438 119.1338 64.2953 37.3970 178.0492 113 R 4.0371 7.8531 118.9672 59.4875 29.9883 178.4712 114 S 4.1288 8.5213 115.1352 61.7562 62.7583 176.4718 115 I 4.0909 7.8391 118.8572 62.9475 36.7040 175.4374 116 L 4.4314 7.0451 118.4390 55.6665 44.6057 175.6548 117 H 3.4822 7.0160 115.6863 51.4232 30.5453 174.0074 *127 T 4.1805 8.0858 115.1973 61.8516 70.1313 172.4013 128 F 5.0900 8.3236 117.2297 56.1379 43.7255 174.0654 129 K 4.9929 8.6487 118.5439 56.0391 35.8105 174.8877 130 E 4.0224 10.7800 118.8325 56.6605 28.7644 174.6186 131 V 4.2232 7.9263 115.0850 61.7764 33.5750 175.9972 132 G 4.2647 8.6690 116.1302 46.8021 0.0000 175.1271 133 R 4.0603 8.0333 117.4347 58.7095 30.1206 176.6747 134 R 4.7209 7.4501 113.3280 53.0484 33.4180 173.8558 135 P 4.2518 0.0000 0.0000 62.2299 31.6950 175.1005 136 P 4.7087 0.0000 0.0000 62.9193 32.3404 175.0773 137 T 4.9875 9.1744 109.1325 59.0390 72.2089 174.5316 138 F 3.9986 8.9633 122.9352 61.3006 38.8805 176.9773 139 G 3.6324 8.2495 104.9219 47.9952 0.0000 175.2493 140 D 4.2621 8.5826 121.2255 56.8533 40.7649 178.5519 141 A 3.7372 7.7875 121.0126 55.2277 18.3433 179.5363 142 S 3.8721 8.3580 113.2259 61.7222 62.6910 176.9734 143 V 3.5899 7.3805 121.7925 65.6416 31.1548 178.1801 144 I 3.3274 7.2913 119.1569 64.0604 36.8541 177.9782 145 A 3.9401 7.9692 121.7868 55.3892 17.9837 179.5014 146 L 3.9499 7.9553 116.1399 58.0883 42.1407 179.2020 147 E 4.1369 8.4767 119.3131 59.2852 29.4434 178.6568 148 L 4.1118 8.1374 119.2171 57.3968 42.2319 177.8825 149 L 4.5038 7.5467 116.3299 54.9083 41.9809 176.3627 150 N 4.9306 7.7859 116.3291 52.7895 39.7372 173.6706 *157 E 4.3109 8.2500 117.8204 56.2042 30.7570 174.5939 158 G 4.4574 8.8581 112.5920 44.4266 0.0000 171.1784 159 S 5.0967 9.2338 113.7082 56.3648 67.2200 172.9576 160 I 5.0032 8.8229 121.1676 59.5391 40.9181 173.7741 161 I 5.0727 9.6261 131.8832 59.0284 39.4637 175.0620 162 F 5.3082 7.9739 120.2111 56.4853 41.4416 171.8608 163 N 5.1751 8.7088 116.2024 51.5256 40.1103 175.0361 164 R 4.3636 9.2873 126.8015 55.3443 31.1640 175.6216 165 F 4.5676 9.1690 129.7173 58.6862 39.7673 173.1809 166 R 4.0094 8.0073 125.2821 56.7326 32.4414 176.0475 167 S 4.5639 7.7731 110.3251 55.6943 66.2507 175.1804 168 V 3.4763 8.5303 120.2140 65.3995 31.2178 176.4693 169 I 4.2912 7.4648 110.1658 60.3696 38.1142 174.7162 170 S 4.5788 7.9075 114.8891 57.9580 65.9358 172.7986 171 Y 5.2873 7.6337 122.1538 55.8675 41.1321 173.6681 172 K 4.5511 9.1408 120.7662 55.1054 36.2107 175.6333 173 T 5.0858 8.5263 123.5035 62.6352 68.0988 173.9966 174 E 4.3673 7.8303 126.0705 54.8978 32.1337 174.5942 175 E 4.8163 8.4361 121.9123 54.3871 32.0738 175.0474 176 K 4.7902 8.7352 125.8132 53.6979 35.3111 173.9357 177 P 4.4460 0.0000 0.0000 62.8937 32.3566 176.5400 178 I 4.2306 8.7605 124.3478 59.2985 37.3638 176.1938 179 F 4.4724 8.2005 122.6325 59.3310 39.3864 178.5135 180 S 3.7999 7.4524 115.3344 60.4256 63.0885 173.0507 181 L 3.8560 8.2213 123.0028 55.0576 41.7642 176.9297 182 D 4.2465 8.9948 126.5394 57.7987 41.8657 178.2594 183 T 3.8849 8.1821 115.4747 66.8994 68.2461 176.0358 184 I 3.7500 7.1065 118.5035 64.1028 37.9900 177.1315 185 S 4.5922 7.5884 110.2509 58.1739 62.8270 174.4872 186 S 4.5810 7.7449 117.6969 56.6228 62.3954 172.9677 187 A 4.7250 7.7177 126.0152 50.2385 22.5865 177.3000 188 E 3.8434 8.6194 118.8788 59.7859 29.6958 180.1003 189 S 3.8383 8.0988 112.0018 61.2723 62.6333 174.4635 190 M 4.6182 8.6290 119.1593 55.3638 31.8351 177.4946 191 S 4.3184 8.5965 113.6627 60.8991 63.4001 175.4083 192 I 3.8286 7.6790 120.3675 62.8173 37.2339 175.1230 193 Y 4.2645 7.4429 118.8517 56.2888 39.9645 174.2709 194 D 4.5672 9.2162 123.1172 55.1372 40.9736 177.1720 195 D 3.7684 9.8125 109.6640 55.8248 40.7415 176.3804 196 I 3.0186 8.5537 125.9429 62.5808 36.4577 173.0596 197 D 5.0056 8.1488 123.1977 51.8588 43.3532 177.3481 198 A 4.0393 8.5864 124.2904 54.7035 18.6091 178.7238 199 D 5.0157 7.9131 113.3484 54.0554 42.7365 178.2818 200 V 3.7940 7.4833 119.9496 63.8881 31.3019 178.1840 201 L 4.0329 7.7900 121.2153 58.0712 42.2338 178.1708 202 R 4.6394 7.4582 118.6821 59.2087 29.8764 178.1759 203 N 4.4922 8.1923 115.7099 56.2041 38.4601 176.8684 204 Y 4.0111 7.8144 120.9843 60.6592 38.7914 177.9206 205 Q 4.3552 8.5974 120.5900 58.5711 28.6989 178.2046 206 E 4.1979 7.8102 117.9192 59.9672 30.0579 178.8525 207 Y 4.3113 8.0584 119.2019 60.8484 38.8507 178.3032 208 S 4.0384 8.1982 115.2985 61.2544 62.7581 176.1382 209 L 3.9072 8.8008 125.0025 57.9237 41.9341 178.7283 210 A 3.9590 7.7622 119.9833 54.5225 18.3027 179.1999 211 N 4.6364 7.7734 114.8610 56.1123 38.9070 177.1145 212 I 3.9788 7.6657 119.6352 63.5669 38.0516 178.0902 213 I 3.5721 7.3124 119.7273 64.2241 36.9623 177.4558 214 Y 3.9573 7.6180 119.9639 61.0198 38.5797 177.6771 215 Y 4.1547 8.1547 120.5324 60.4741 38.7569 178.2732 216 S 2.7900 7.4349 114.8895 60.9387 63.1306 176.1266 217 L 3.7745 7.4826 123.4048 57.4478 41.1948 180.0011 218 K 3.8444 7.5988 117.8258 59.1648 31.8897 179.0769 219 E 3.9424 7.8384 119.6588 58.7751 29.5699 178.9268 220 S 4.4647 8.2458 116.2745 61.3347 63.0585 176.4836 221 T 3.8186 7.7990 119.8140 66.6801 68.1282 176.7313 222 T 3.9626 7.5313 117.1912 66.2620 68.4948 176.7799 223 S 4.5064 7.8165 117.1746 60.0348 63.1257 176.2477 224 E 3.7086 8.4432 123.3367 59.4055 29.3719 178.9019 225 Q 4.1425 8.4577 118.7241 58.7906 28.5889 178.9379 226 S 3.8219 7.9941 115.0729 61.2984 63.0511 176.5223 227 A 4.0578 7.9342 124.1678 54.7059 18.0575 179.6101 228 R 4.1170 8.2080 118.9083 59.3448 30.0729 177.9688 229 M 3.9757 8.0426 117.9459 59.2406 32.1916 178.0136 230 T 3.8219 7.8644 115.2771 66.8681 68.6910 176.4365 231 A 4.0080 7.9003 122.2894 55.4664 18.4767 179.6653 232 M 4.0859 8.4072 117.3097 57.9416 32.0645 178.6456 233 D 4.2692 8.3805 119.0011 57.4127 41.4457 177.9089 234 N 4.3014 8.1438 116.7177 56.3859 38.6439 177.1058 235 A 4.0404 8.1447 122.3466 55.3959 18.1618 179.8377 236 S 4.1488 8.0684 111.9226 61.1513 63.5750 176.2444 237 K 4.1245 7.8913 122.9156 59.1143 31.9950 178.5908 238 N 4.3689 8.6406 117.2101 56.0032 38.3278 177.3080 239 A 3.9941 7.9818 122.4126 55.2294 18.4825 179.8438 240 S 4.0522 7.9103 112.3688 61.5241 62.9828 176.3608 241 E 3.9654 8.1247 122.4808 59.1870 29.3640 178.4313 242 M 4.1006 8.1413 118.4358 58.5103 32.1900 178.3055 243 I 3.7870 8.1383 120.4792 64.1209 37.1764 178.1750 244 D 4.3494 7.8687 119.7392 57.2005 40.6508 178.8990 245 K 4.0082 7.9780 118.8255 59.3580 32.0580 179.5265 246 L 4.0072 8.0892 119.2256 58.0455 41.5084 179.4118 247 T 3.9152 8.1103 115.8898 67.0110 68.4713 176.6672 248 L 4.0487 7.9861 120.4911 57.8685 41.5200 179.8260 249 T 3.8682 8.1814 116.2212 66.4369 68.3617 176.3900 250 F 3.9957 8.8005 122.8209 61.4943 39.4584 176.9270 251 N 4.2255 8.5992 116.2843 56.3723 38.3590 177.6952 252 R 3.9020 7.9817 119.4734 59.5984 30.1361 179.3253 253 T 3.8615 7.9926 115.6513 66.3418 68.2569 176.9305 254 R 3.6614 7.7523 120.8758 59.2608 29.9935 178.6560 255 Q 3.8913 7.9643 117.6348 59.0006 28.7010 178.6132 256 A 3.9518 7.9836 121.7400 54.9584 18.3606 179.8622 257 V 3.4778 7.8694 116.8212 66.1638 31.6486 178.3694 258 I 3.6789 7.4552 119.2554 64.6821 36.9120 178.4647 259 T 3.8407 7.9724 116.5698 66.5424 68.3067 176.5158 260 K 3.8778 8.1936 121.5056 59.4937 32.2425 178.3544 261 E 3.8966 8.2064 119.5477 59.2502 29.5543 178.5614 262 L 3.9582 8.0041 120.3319 58.2382 42.0776 179.0058 263 I 3.7426 8.0329 119.9637 64.3012 36.9737 178.3138 264 E 3.9676 8.1931 119.5637 59.2871 29.1943 179.3462 265 I 3.6618 7.6202 119.7868 64.4835 37.2390 178.5054 266 I 3.6869 7.8075 120.4271 64.5462 36.7363 178.5957 267 S 4.2346 8.4541 116.4315 61.7204 62.4549 177.1865 268 G 3.5702 7.9029 106.8840 47.4619 0.0000 175.4154 269 A 4.1272 8.2786 123.2206 55.1170 18.2978 179.7466 270 A 3.9946 8.3170 117.7106 54.8053 18.5118 179.0224 271 A 4.0678 7.5976 119.9103 54.6035 18.5773 178.1163 *272 L 4.0866 7.4811 122.5445 54.3031 41.7764 182.1630 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 A 8.25 4.36 1.29 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 0.00 0.00 2 T 7.43 4.41 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 1.30 0.00 0.00 3 L 8.49 4.00 0.00 1.78 1.92 0.82 0.45 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 4 K 8.19 3.95 0.00 1.90 1.83 0.00 1.66 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.62 7.81 5 D 7.83 4.41 0.00 2.94 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 6 I 7.95 3.74 2.24 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 1.10 0.00 0.00 7 T 8.32 3.64 4.46 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 1.10 0.00 0.00 8 R 8.43 3.87 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 9 R 8.20 3.91 0.00 1.97 2.12 0.00 3.14 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 10 L 7.70 3.92 0.00 1.80 1.69 0.96 0.39 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 11 K 7.87 4.11 0.00 1.84 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.50 7.81 12 S 8.09 4.09 0.00 4.05 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 0.00 13 I 7.89 3.68 1.86 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 1.78 1.06 0.91 0.00 0.00 14 K 8.06 4.08 0.00 1.98 1.84 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 15 N 8.31 4.27 0.00 2.98 3.11 0.00 0.00 6.83 7.75 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 16 I 7.81 3.64 2.00 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 1.66 0.98 0.91 0.00 0.00 17 Q 8.15 3.91 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 18 K 7.79 3.86 0.00 1.82 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 I 8.02 3.70 2.10 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 1.58 0.71 0.91 0.00 0.00 20 T 8.55 3.91 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 1.24 0.00 0.00 21 K 8.31 3.98 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.59 7.81 22 S 7.86 4.09 0.00 4.00 4.12 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 0.00 0.00 0.00 23 M 8.13 4.09 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 24 K 7.94 3.93 0.00 1.86 2.07 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.67 7.81 25 M 7.68 4.05 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.85 0.00 26 V 8.55 3.58 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 0.82 0.00 0.00 0.94 0.00 0.00 27 A 8.48 4.23 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.39 4.16 1.46 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 0.00 0.00 29 A 8.54 4.02 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 30 K 8.08 3.82 0.00 1.98 1.89 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 31 Y 8.86 4.02 0.00 2.90 3.25 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 32 A 8.09 3.40 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.16 3.75 0.00 1.94 1.85 0.00 3.13 0.00 0.00 3.13 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 34 A 8.40 3.73 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 35 E 7.60 3.52 0.00 1.23 1.79 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 2.05 2.21 0.00 36 R 8.63 3.99 0.00 1.92 1.87 0.00 3.14 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 37 E 8.06 4.03 0.00 1.95 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 2.39 2.35 0.00 38 L 7.50 3.97 0.00 1.89 1.77 1.00 0.39 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 39 K 8.28 3.97 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.70 7.81 40 P 0.00 4.36 0.00 2.29 2.32 0.00 3.79 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 2.24 2.04 0.00 41 A 7.68 4.18 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 42 R 7.93 3.65 0.00 2.13 2.11 0.00 3.23 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 43 V 7.46 3.51 2.31 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 1.05 0.00 0.00 0.96 0.00 0.00 44 Y 8.46 4.12 0.00 3.12 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 45 G 7.98 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 0.00 0.00 0.00 46 V 7.92 3.78 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 1.02 0.00 0.00 0.97 0.00 0.00 47 G 8.09 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 48 S 7.46 4.21 0.00 3.54 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 49 L 8.64 4.68 0.00 1.97 1.86 1.17 0.57 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 50 A 7.77 4.07 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 51 L 8.02 3.87 0.00 1.58 0.95 0.39 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.44 5.06 0.00 3.23 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 53 E 8.15 4.22 0.00 2.13 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 0.00 2.65 2.44 0.00 54 K 8.46 4.37 0.00 1.72 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.63 7.81 55 A 7.65 4.46 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 56 D 8.78 4.72 0.00 2.66 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 57 I 7.35 4.04 0.58 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.36 0.00 0.00 *67 L 8.29 4.95 0.00 1.80 1.57 0.97 1.24 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 68 I 8.26 4.87 1.87 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 1.34 0.82 0.90 0.00 0.00 69 I 8.70 4.61 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.99 0.90 0.00 0.00 70 G 8.75 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 0.00 0.00 0.00 0.00 71 V 8.71 4.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.88 0.00 0.00 72 S 8.75 4.86 0.00 3.86 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 73 S 8.97 4.56 0.00 4.08 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 74 D 8.21 4.57 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 83 S 7.78 4.11 0.00 4.11 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 84 S 7.90 4.11 0.00 4.04 4.04 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 0.00 0.00 0.00 0.00 85 V 7.47 3.60 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 1.02 0.00 0.00 0.96 0.00 0.00 86 A 7.90 3.98 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 87 K 9.05 3.74 0.00 1.83 1.95 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 88 Q 8.87 4.02 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 89 M 8.12 4.08 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 90 K 8.21 3.90 0.00 1.96 2.07 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.45 7.81 91 S 7.99 4.04 0.00 3.91 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 92 E 7.82 3.92 0.00 2.07 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 2.56 2.45 0.00 93 A 7.95 4.05 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 94 A 8.02 4.07 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 95 N 8.01 4.51 0.00 2.82 2.88 0.00 0.00 6.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.55 4.81 0.00 1.60 1.57 0.92 0.90 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 *101 K 8.53 4.31 0.00 1.77 1.92 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 102 E 7.08 5.76 0.00 2.04 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 2.06 2.02 0.00 103 V 7.90 4.50 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.75 1.29 7.81 112 I 7.84 3.70 1.96 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 1.56 1.02 0.93 0.00 0.00 113 R 7.85 4.04 0.00 1.87 2.10 0.00 3.15 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 114 S 8.52 4.13 0.00 3.89 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 0.00 115 I 7.84 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.92 0.00 0.00 116 L 7.05 4.43 0.00 1.76 1.54 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.02 3.48 0.00 3.17 3.30 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 T 8.09 4.18 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 1.18 0.00 0.00 128 F 8.32 5.09 0.00 3.10 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 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0.00 0.00 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 0.00 138 F 8.96 4.00 0.00 2.47 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 0.00 139 G 8.25 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.58 4.26 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 3.74 1.06 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 0.00 142 S 8.36 3.87 0.00 4.05 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 0.00 143 V 7.38 3.59 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 1.20 0.00 0.00 0.96 0.00 0.00 144 I 7.29 3.33 1.68 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.18 0.78 0.00 0.00 145 A 7.97 3.94 1.29 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 0.00 0.00 146 L 7.96 3.95 0.00 1.88 1.79 0.97 0.84 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 0.00 147 E 8.48 4.14 0.00 2.51 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 2.35 2.41 0.00 148 L 8.14 4.11 0.00 1.78 1.87 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.55 4.50 0.00 1.66 1.71 0.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 150 N 7.79 4.93 0.00 2.72 2.78 0.00 0.00 6.83 6.97 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 *157 E 8.25 4.31 0.00 2.06 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 2.14 2.26 0.00 158 G 8.86 4.46 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 0.00 0.00 0.00 159 S 9.23 5.10 0.00 3.78 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 0.00 160 I 8.82 5.00 1.84 0.00 0.00 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 1.21 1.66 0.96 0.00 0.00 161 I 9.63 5.07 1.88 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 0.87 1.44 0.88 0.00 0.00 162 F 7.97 5.31 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 N 8.71 5.18 0.00 2.48 2.79 0.00 0.00 6.79 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 0.00 164 R 9.29 4.36 0.00 1.70 1.89 0.00 3.17 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 165 F 9.17 4.57 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 0.00 166 R 8.01 4.01 0.00 1.57 1.70 0.00 3.10 0.00 0.00 3.18 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 167 S 7.77 4.56 0.00 3.88 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 0.00 168 V 8.53 3.48 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 0.56 0.00 0.00 0.92 0.00 0.00 169 I 7.46 4.29 1.83 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 1.27 0.61 0.89 0.00 0.00 170 S 7.91 4.58 0.00 3.75 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.63 5.29 0.00 3.02 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 0.00 172 K 9.14 4.55 0.00 1.72 1.56 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.24 1.33 7.81 173 T 8.53 5.09 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 0.00 174 E 7.83 4.37 0.00 1.38 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 175 E 8.44 4.82 0.00 1.87 1.74 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 2.13 2.26 0.00 176 K 8.74 4.79 0.00 1.75 1.66 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.67 7.81 177 P 0.00 4.45 0.00 0.93 1.70 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 178 I 8.76 4.23 1.83 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 1.22 0.98 0.85 0.00 0.00 179 F 8.20 4.47 0.00 3.16 3.04 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 0.00 0.00 0.00 0.00 180 S 7.45 3.80 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.22 3.86 0.00 1.82 1.77 0.96 1.04 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 0.00 182 D 8.99 4.25 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 0.00 183 T 8.18 3.88 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 1.23 0.00 0.00 184 I 7.11 3.75 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.12 1.17 0.00 0.00 185 S 7.59 4.59 0.00 3.95 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 0.00 186 S 7.74 4.58 0.00 4.00 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 0.00 187 A 7.72 4.72 1.17 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 0.00 188 E 8.62 3.84 0.00 2.04 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 2.41 2.35 0.00 189 S 8.10 3.84 0.00 3.81 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 0.00 190 M 8.63 4.62 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 191 S 8.60 4.32 0.00 3.98 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 0.00 192 I 7.68 3.83 1.69 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.72 0.00 0.00 193 Y 7.44 4.26 0.00 3.11 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 0.00 194 D 9.22 4.57 0.00 2.60 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 0.00 0.00 0.00 0.00 195 D 9.81 3.77 0.00 2.70 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 0.00 196 I 8.55 3.02 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.36 0.87 0.00 0.00 197 D 8.15 5.01 0.00 2.75 2.54 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 0.00 198 A 8.59 4.04 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 0.00 199 D 7.91 5.02 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 0.00 200 V 7.48 3.79 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 0.89 0.00 0.00 0.95 0.00 0.00 201 L 7.79 4.03 0.00 1.88 1.93 0.83 0.86 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 0.00 202 R 7.46 4.64 0.00 2.12 2.13 0.00 3.22 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 203 N 8.19 4.49 0.00 2.97 2.89 0.00 0.00 6.63 8.51 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 0.00 204 Y 7.81 4.01 0.00 3.24 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 0.00 205 Q 8.60 4.36 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.45 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 206 E 7.81 4.20 0.00 2.19 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 2.41 2.65 0.00 207 Y 8.06 4.31 0.00 3.12 2.99 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 0.00 208 S 8.20 4.04 0.00 4.15 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 0.00 209 L 8.80 3.91 0.00 1.68 1.91 0.88 1.05 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 0.00 210 A 7.76 3.96 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 0.00 211 N 7.77 4.64 0.00 2.73 3.00 0.00 0.00 6.82 7.47 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 0.00 212 I 7.67 3.98 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.91 0.00 0.00 213 I 7.31 3.57 1.69 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 1.29 0.73 0.72 0.00 0.00 214 Y 7.62 3.96 0.00 2.73 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 0.00 215 Y 8.15 4.15 0.00 3.17 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 0.00 216 S 7.43 2.79 0.00 3.56 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 L 7.48 3.77 0.00 1.65 1.59 0.77 0.53 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 0.00 218 K 7.60 3.84 0.00 1.48 1.69 0.00 1.70 0.00 0.00 1.42 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.87 0.74 7.81 219 E 7.84 3.94 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 220 S 8.25 4.46 0.00 4.03 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 0.00 221 T 7.80 3.82 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 1.18 0.00 0.00 222 T 7.53 3.96 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 0.79 0.00 0.00 223 S 7.82 4.51 0.00 3.76 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 0.00 224 E 8.44 3.71 0.00 1.96 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 0.00 2.25 2.24 0.00 225 Q 8.46 4.14 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 226 S 7.99 3.82 0.00 4.03 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 0.00 227 A 7.93 4.06 1.44 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 0.00 228 R 8.21 4.12 0.00 1.87 1.94 0.00 3.16 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 229 M 8.04 3.98 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 230 T 7.86 3.82 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 1.21 0.00 0.00 231 A 7.90 4.01 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 0.00 232 M 8.41 4.09 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.82 0.00 233 D 8.38 4.27 0.00 2.83 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 0.00 234 N 8.14 4.30 0.00 2.79 2.85 0.00 0.00 6.98 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 0.00 235 A 8.14 4.04 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 0.00 236 S 8.07 4.15 0.00 4.03 4.12 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 0.00 0.00 0.00 237 K 7.89 4.12 0.00 1.89 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.47 7.81 238 N 8.64 4.37 0.00 2.90 2.85 0.00 0.00 6.85 6.71 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 0.00 239 A 7.98 3.99 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 0.00 240 S 7.91 4.05 0.00 4.10 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 0.00 241 E 8.12 3.97 0.00 2.09 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 0.00 2.31 2.31 0.00 242 M 8.14 4.10 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 243 I 8.14 3.79 2.01 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 1.51 0.49 0.90 0.00 0.00 244 D 7.87 4.35 0.00 2.81 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 0.00 245 K 7.98 4.01 0.00 1.85 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 246 L 8.09 4.01 0.00 1.80 1.74 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 247 T 8.11 3.92 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 1.26 0.00 0.00 248 L 7.99 4.05 0.00 1.77 1.74 0.94 0.81 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 0.00 249 T 8.18 3.87 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 1.24 0.00 0.00 250 F 8.80 4.00 0.00 3.18 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 0.00 251 N 8.60 4.23 0.00 2.80 2.87 0.00 0.00 7.12 8.39 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 0.00 252 R 7.98 3.90 0.00 1.85 1.95 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 253 T 7.99 3.86 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 1.13 0.00 0.00 254 R 7.75 3.66 0.00 1.21 1.75 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 255 Q 7.96 3.89 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 256 A 7.98 3.95 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 0.00 257 V 7.87 3.48 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 0.99 0.00 0.00 0.94 0.00 0.00 258 I 7.46 3.68 1.98 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 1.50 0.78 0.90 0.00 0.00 259 T 7.97 3.84 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 260 K 8.19 3.88 0.00 1.91 1.82 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 261 E 8.21 3.90 0.00 2.08 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 2.30 2.31 0.00 262 L 8.00 3.96 0.00 1.95 1.78 0.92 0.88 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 0.00 263 I 8.03 3.74 1.86 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 1.51 0.63 0.90 0.00 0.00 264 E 8.19 3.97 0.00 2.17 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 2.32 2.54 0.00 265 I 7.62 3.66 2.04 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 1.52 0.80 0.91 0.00 0.00 266 I 7.81 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.59 0.91 0.00 0.00 267 S 8.45 4.23 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 0.00 268 G 7.90 3.57 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 0.00 0.00 0.00 269 A 8.28 4.13 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 0.00 270 A 8.32 3.99 1.29 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 0.00 0.00 271 A 7.60 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 *272 L 7.48 4.09 0.00 1.48 1.49 0.92 1.05 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 * Residues marked with a * may have inaccurate shift predictions.